A0A077ZLL2_TRITR Loading...

NAD binding 6 and FAD binding 8 and Ferric reduct domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 799 aa.

						>A0A077ZLL2_TRITR|A0A077ZLL2
MKLLNCIELLLRKNGKEIHVRNEGTERLLAMAETAEIRQQKLDCFFREAYAKAFNMPEMSSSLVNYDGVSKTILETMLTRAEFADALGMAEDDLLIERLFRCVARSHPDKICFQDFLDVVIKFANGSTREKLEILFSMCGRNANGLVEKAEFVNFMKSTIDLAGTYLSSEIQDEVIQSIFKSCGIPTEKMFLTLEDLEAAHNEFSNIGLHFKGRKQHVLSKANLERQESVEWAVPIVRRKLSFKEWNNAVTSWLEDYRQHIICTIVFFTLCFAVFFERFWSILFQNVRSLISPFIDFYTLTEHRDLRRIMGLGISFSRASAAVISLCMGLILLTVCRNMNTWLRDTVLGQYIPFDAAMTFHKVIGVTAGLFTVVHTAGHCINFYHISTQDPDSLQCLFQEAVLDSDMKATVSYWLYGTVTGITGILLVIVMCVTYVFAIPTIITNAYHAFHLTHLLNFLLYALTVIHGLQKLVSPPSFWYYITGPVIILVFDRLISMRRDYKQLEVLSAKLLPSDVTYIAFKRPRSFTFRSGQWVRIRCSNFSCKMNEWHAFTLASTPDEPILKIYVKAQGPWTWKLRCGIREAQQFGSTYPLLQMDGPYGAGNQDWYSYEVCIMIAAGIGVTPYASVLLDAVRTMHSSKHSPVICKKIYFVWICPMYKSYEWFLEILRAAEEEDKRNMLEIHIFVTQLFNKYDLRTTMMVILTQRIYGARAFHYQYICEKHFRIGEGRSMFTNLKATNHFGRPNLQALFECVQAKHRKLKRIGVFSCGPPSVNKKVQTTCEALNRLKGSRFVHKLETF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.6	Low	87	Confident	193 Å²	193	105.2 Å²	105.2	95%	0.951	54%	0.539	S	S	*	.				0	-56.1	0	-80.8	-151.5	-99.3	0	0	114.1	L3 L4 N5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.92Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.89Å; M1-N5 PolarHBondContact O-N 2.72Å; M1-N5 VanDerWaalsContact O-N 3.1Å
2	K	86.5	Confident	87.1	Confident	190 Å²	190	110.3 Å²	110.3	83%	0.826	55%	0.546	S	S	*	.	H	α-helix	trans	-51.1	-46.3	-178.8	-69	-173.9	178.9	-177.9	0	114.2	L4 N5 C6	K2-L4 PolarHBondContact O-N 2.85Å; K2-N5 PolarHBondContact O-N 2.9Å; K2-C6 PolarHBondContact O-N 2.79Å; K2-C6 VanDerWaalsContact O-N 3.17Å; K2-C6 PolarHBondContact O-SG 2.82Å
3	L	87.7	Confident	87.4	Confident	132 Å²	132	116.1 Å²	116.1	69%	0.691	57%	0.566	S	S	*	*	H	α-helix	trans	-61.9	-41.1	176.8	-177.4	65.2	0	0	0	112.7	M1 C6 I7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.92Å; L3-C6 PolarHBondContact O-N 3.24Å; L3-I7 HydrophobicContact CD1-CD1 4.25Å; L3-I7 HydrophobicContact CD1-CG1 4.5Å; L3-I7 HydrophobicContact CD2-CD1 4.49Å; L3-I7 HydrophobicContact CG-CD1 3.9Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.47Å; L3-I7 PolarHBondContact O-N 3.12Å
4	L	87.2	Confident	87.7	Confident	68 Å²	68	115.6 Å²	115.6	36%	0.356	57%	0.567	S	S	.	*	H	α-helix	trans	-63.4	-43.6	179.9	-171	71.9	0	0	0	111	M1 K2 C6 I7 E8 I18 V20	M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 2.89Å; K2-L4 PolarHBondContact O-N 2.85Å; L4-C6 VanDerWaalsContact C-N 3.34Å; L4-C6 PolarHBondContact O-N 3.43Å; L4-I7 PolarHBondContact O-N 2.85Å; L4-E8 WeakPolarHBondContact O-CB 3.29Å; L4-E8 PolarHBondContact O-N 3.1Å; L4-I18 HydrophobicContact CD1-CD1 4.12Å; L4-V20 HydrophobicContact CD1-CG2 4.44Å; L4-V20 HydrophobicContact CD2-CG1 4.33Å; L4-V20 HydrophobicContact CD2-CG2 4.33Å
5	N	87.4	Confident	87.9	Confident	88 Å²	88	112.8 Å²	112.8	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-63.5	-39.5	177	-66.7	9	0	0	0	111.8	M1 K2 E8 L9	M1-N5 PolarHBondContact O-N 2.72Å; M1-N5 VanDerWaalsContact O-N 3.1Å; K2-N5 PolarHBondContact O-N 2.9Å; N5-E8 PolarHBondContact O-N 3.36Å; N5-L9 WeakPolarHBondContact O-CG 3.48Å; N5-L9 PolarHBondContact O-N 2.95Å
6	C	90.3	Very high	88	Confident	79 Å²	79	114.1 Å²	114.1	53%	0.534	58%	0.58	S	S	.	*	H	α-helix	trans	-63.7	-42.3	174.7	-69.2	0	0	0	0	111.9	K2 L3 L4 L10	K2-C6 PolarHBondContact O-N 2.79Å; K2-C6 VanDerWaalsContact O-N 3.17Å; K2-C6 PolarHBondContact O-SG 2.82Å; L3-C6 PolarHBondContact O-N 3.24Å; L4-C6 VanDerWaalsContact C-N 3.34Å; L4-C6 PolarHBondContact O-N 3.43Å; C6-L10 WeakPolarHBondContact O-CB 3.35Å; C6-L10 PolarHBondContact O-N 3.33Å; C6-L10 VanDerWaalsContact O-N 3.1Å
7	I	89.1	Confident	87.8	Confident	73 Å²	73	117.2 Å²	117.2	37%	0.374	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-43	177.1	-68.8	168.4	0	0	0	110.4	L3 L4 L10 L11 I18	L3-I7 HydrophobicContact CD1-CD1 4.25Å; L3-I7 HydrophobicContact CD1-CG1 4.5Å; L3-I7 HydrophobicContact CD2-CD1 4.49Å; L3-I7 HydrophobicContact CG-CD1 3.9Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.47Å; L3-I7 PolarHBondContact O-N 3.12Å; L4-I7 PolarHBondContact O-N 2.85Å; I7-L10 PolarHBondContact O-N 2.86Å; I7-L11 HydrophobicContact CG2-CD1 3.71Å; I7-L11 HydrophobicContact CG2-CG 4.16Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 2.67Å; I7-I18 HydrophobicContact CG2-CD1 4.48Å
8	E	88.5	Confident	87.6	Confident	49 Å²	49	113.3 Å²	113.3	23%	0.229	57%	0.572	C	S	.	*	H	α-helix	trans	-62	-45.3	178.7	179.4	169.9	-166	0	0	112	L4 N5 L10 L11 R12 I18	L4-E8 WeakPolarHBondContact O-CB 3.29Å; L4-E8 PolarHBondContact O-N 3.1Å; N5-E8 PolarHBondContact O-N 3.36Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.93Å; E8-L11 PolarHBondContact O-N 3.39Å; E8-R12 HydrophobicContact CG-CG 4.42Å; E8-R12 WeakPolarHBondContact O-CB 3.38Å; E8-R12 VanDerWaalsContact O-CG 3.32Å; E8-R12 WeakPolarHBondContact O-CG 3.34Å; E8-R12 PolarHBondContact O-N 3.25Å; E8-R12 IonicContact OE1-CZ 3.54Å; E8-R12 VanDerWaalsContact OE1-CZ 3.29Å; E8-R12 IonicContact OE1-NE 2.87Å; E8-R12 PolarHBondContact OE1-NE 2.85Å; E8-R12 IonicContact OE1-NH2 2.67Å; E8-R12 PolarHBondContact OE1-NH2 3.25Å; E8-I18 HydrophobicContact CB-CG2 4.29Å; E8-I18 HydrophobicContact CG-CG2 3.79Å
9	L	89.2	Confident	87.5	Confident	126 Å²	126	115.7 Å²	115.7	66%	0.66	58%	0.581	S	S	*	*	H	α-helix	trans	-60.1	-41.1	174.8	-74.9	166.9	0	0	0	111.8	N5 K13	N5-L9 WeakPolarHBondContact O-CG 3.48Å; N5-L9 PolarHBondContact O-N 2.95Å; L9-K13 WeakPolarHBondContact O-CB 3.2Å; L9-K13 PolarHBondContact O-N 3.33Å
10	L	91.8	Very high	87.4	Confident	113 Å²	113	114 Å²	114	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-70.3	-39	-179.6	-165.9	126.8	0	0	0	112.3	C6 I7 E8 N14	C6-L10 WeakPolarHBondContact O-CB 3.35Å; C6-L10 PolarHBondContact O-N 3.33Å; C6-L10 VanDerWaalsContact O-N 3.1Å; I7-L10 PolarHBondContact O-N 2.86Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.93Å; L10-N14 PolarHBondContact O-N 2.83Å; L10-N14 PolarHBondContact O-ND2 2.67Å
11	L	91	Very high	87.3	Confident	46 Å²	46	117.9 Å²	117.9	24%	0.241	58%	0.584	C	S	.	*	H	α-helix	trans	-69.2	-43.9	175.9	-72.5	175	0	0	0	111.6	I7 E8 K13 N14 G15 K16 I18	I7-L11 HydrophobicContact CG2-CD1 3.71Å; I7-L11 HydrophobicContact CG2-CG 4.16Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 2.67Å; E8-L11 PolarHBondContact O-N 3.39Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.27Å; L11-N14 CarbonylContact O-C 3.57Å; L11-N14 WeakPolarHBondContact O-CA 3.34Å; L11-N14 PolarHBondContact O-N 3.23Å; L11-G15 PolarHBondContact O-N 2.87Å; L11-K16 CarbonylContact C-O 3.52Å; L11-K16 HydrophobicContact CB-CB 4.22Å; L11-K16 HydrophobicContact CD2-CB 4.26Å; L11-K16 HydrophobicContact CD2-CD 4.11Å; L11-K16 PolarHBondContact O-N 3.18Å; L11-I18 HydrophobicContact CD1-CB 4.35Å; L11-I18 HydrophobicContact CD1-CD1 4.2Å; L11-I18 HydrophobicContact CD1-CG1 4.35Å
12	R	87.9	Confident	88	Confident	166 Å²	166	116.1 Å²	116.1	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-62.2	-38	175.6	-73.6	-176.4	-175.4	-147.6	4.5	112	E8 N14 G15	E8-R12 HydrophobicContact CG-CG 4.42Å; E8-R12 WeakPolarHBondContact O-CB 3.38Å; E8-R12 VanDerWaalsContact O-CG 3.32Å; E8-R12 WeakPolarHBondContact O-CG 3.34Å; E8-R12 PolarHBondContact O-N 3.25Å; E8-R12 IonicContact OE1-CZ 3.54Å; E8-R12 VanDerWaalsContact OE1-CZ 3.29Å; E8-R12 IonicContact OE1-NE 2.87Å; E8-R12 PolarHBondContact OE1-NE 2.85Å; E8-R12 IonicContact OE1-NH2 2.67Å; E8-R12 PolarHBondContact OE1-NH2 3.25Å; R12-N14 PolarHBondContact O-N 3.44Å; R12-G15 PolarHBondContact O-N 3.1Å
13	K	91.2	Very high	87.9	Confident	186 Å²	186	110.1 Å²	110.1	81%	0.809	55%	0.554	S	S	*	*	H	α-helix	trans	-59.7	-28.8	173.8	-169.9	178.4	180	-177.3	0	112.6	L9 L11	L9-K13 WeakPolarHBondContact O-CB 3.2Å; L9-K13 PolarHBondContact O-N 3.33Å; L11-K13 VanDerWaalsContact C-N 3.31Å; L11-K13 PolarHBondContact O-N 3.27Å
14	N	91.9	Very high	87.9	Confident	109 Å²	109	106.1 Å²	106.1	58%	0.583	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	17.4	177.9	-66.4	-23	0	0	0	113	L10 L11 R12 K16	L10-N14 PolarHBondContact O-N 2.83Å; L10-N14 PolarHBondContact O-ND2 2.67Å; L11-N14 CarbonylContact O-C 3.57Å; L11-N14 WeakPolarHBondContact O-CA 3.34Å; L11-N14 PolarHBondContact O-N 3.23Å; R12-N14 PolarHBondContact O-N 3.44Å; N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.43Å
15	G	90.5	Very high	87.9	Confident	74 Å²	74	108 Å²	108	76%	0.763	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.4	21.8	177.1	0	0	0	0	0	114.8	L11 R12	L11-G15 PolarHBondContact O-N 2.87Å; R12-G15 PolarHBondContact O-N 3.1Å
16	K	89.2	Confident	87.9	Confident	133 Å²	133	112 Å²	112	58%	0.578	57%	0.574	S	S	*	*			trans	-105.2	134.9	179.1	-63.1	-174.2	179	-176.4	0	110.9	L11 N14	L11-K16 CarbonylContact C-O 3.52Å; L11-K16 HydrophobicContact CB-CB 4.22Å; L11-K16 HydrophobicContact CD2-CB 4.26Å; L11-K16 HydrophobicContact CD2-CD 4.11Å; L11-K16 PolarHBondContact O-N 3.18Å; N14-K16 VanDerWaalsContact C-N 3.29Å; N14-K16 PolarHBondContact O-N 3.43Å
17	E	84.1	Confident	87.7	Confident	168 Å²	168	115.3 Å²	115.3	79%	0.785	58%	0.576	S	S	*	*			trans	-84.5	148.7	171.2	-66.8	-171.6	166.2	0	0	111.1
18	I	83.9	Confident	87.5	Confident	46 Å²	46	116 Å²	116	24%	0.236	58%	0.58	C	S	.	*			trans	-111.3	125.6	176.6	-167.7	173.7	0	0	0	109.6	L4 I7 E8 L11 V20	L4-I18 HydrophobicContact CD1-CD1 4.12Å; I7-I18 HydrophobicContact CG2-CD1 4.48Å; E8-I18 HydrophobicContact CB-CG2 4.29Å; E8-I18 HydrophobicContact CG-CG2 3.79Å; L11-I18 HydrophobicContact CD1-CB 4.35Å; L11-I18 HydrophobicContact CD1-CD1 4.2Å; L11-I18 HydrophobicContact CD1-CG1 4.35Å; I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.02Å
19	H	86.6	Confident	87.2	Confident	160 Å²	160	119.5 Å²	119.5	74%	0.741	60%	0.599	S	S	*	*			trans	-102.1	108.7	170.2	-66.5	-63.7	0	0	0	109.2
20	V	85.6	Confident	86.8	Confident	80 Å²	80	117.5 Å²	117.5	49%	0.485	60%	0.601	S	S	.	*			trans	-96.6	122.9	177.8	-175.1	0	0	0	0	109	L4 I18	L4-V20 HydrophobicContact CD1-CG2 4.44Å; L4-V20 HydrophobicContact CD2-CG1 4.33Å; L4-V20 HydrophobicContact CD2-CG2 4.33Å; I18-V20 HydrophobicContact CD1-CG2 4.09Å; I18-V20 HydrophobicContact CG1-CG2 4.02Å
21	R	85.1	Confident	86.3	Confident	196 Å²	196	117.8 Å²	117.8	74%	0.74	60%	0.6	S	S	*	*			trans	-113.6	128.7	172.4	-66.2	-173.4	-177.2	-174	1.7	109.4
22	N	83.6	Confident	86	Confident	156 Å²	156	117.8 Å²	117.8	83%	0.834	61%	0.607	S	S	*	*			trans	-90.5	120.2	172.9	-69.5	-30	0	0	0	108.8
23	E	85	Confident	85.8	Confident	65 Å²	65	114.4 Å²	114.4	30%	0.304	60%	0.599	S	S	.	*			trans	-137.1	156.9	-179.8	-66.9	-71.3	176.2	0	0	109.2	R27 L28	E23-R27 IonicContact OE1-NH1 2.82Å; E23-R27 PolarHBondContact OE1-NH1 3.39Å; E23-R27 WeakPolarHBondContact OE2-CD 3.45Å; E23-R27 IonicContact OE2-CZ 3.96Å; E23-R27 IonicContact OE2-NE 2.58Å; E23-R27 IonicContact OE2-NH1 3.48Å; E23-R27 PolarHBondContact OE2-NH1 3.24Å; E23-L28 HydrophobicContact CB-CD2 3.92Å; E23-L28 HydrophobicContact CB-CG 3.9Å; E23-L28 WeakPolarHBondContact O-CD1 3.26Å
24	G	87.4	Confident	85.4	Confident	47 Å²	47	108.6 Å²	108.6	49%	0.485	58%	0.579	S	S	.	*			trans	-66.2	151.6	175.8	0	0	0	0	0	112.5	E26 R27 L28	G24-E26 VanDerWaalsContact C-N 3.29Å; G24-E26 PolarHBondContact O-N 2.89Å; G24-R27 PolarHBondContact O-N 3.44Å; G24-L28 PolarHBondContact O-N 2.89Å
25	T	87.6	Confident	84.9	Confident	107 Å²	107	107.5 Å²	107.5	66%	0.656	59%	0.585	S	S	*	*	H	α-helix	trans	-53.5	-42.4	-176	-51.2	0	0	0	0	113.2	R27 L28 L29	T25-R27 PolarHBondContact O-N 3.17Å; T25-L28 PolarHBondContact O-N 3.31Å; T25-L29 HydrophobicContact CG2-CD1 4.14Å; T25-L29 WeakPolarHBondContact O-CB 3.32Å; T25-L29 WeakPolarHBondContact O-CG 3.38Å; T25-L29 PolarHBondContact O-N 3.4Å
26	E	86.4	Confident	84	Confident	173 Å²	173	111.2 Å²	111.2	81%	0.808	58%	0.583	S	S	*	*	H	α-helix	trans	-63.8	-40.8	178.4	-65.4	-172.9	167.1	0	0	112.1	G24 L29 A30	G24-E26 VanDerWaalsContact C-N 3.29Å; G24-E26 PolarHBondContact O-N 2.89Å; E26-L29 PolarHBondContact O-N 3.49Å; E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 2.78Å
27	R	86	Confident	83.4	Confident	149 Å²	149	107.8 Å²	107.8	56%	0.562	57%	0.57	S	S	*	*	H	α-helix	trans	-72.1	-37.4	178.9	-155.1	-176.3	-170.2	-171.8	5.2	111.5	E23 G24 T25 A30 M31	E23-R27 IonicContact OE1-NH1 2.82Å; E23-R27 PolarHBondContact OE1-NH1 3.39Å; E23-R27 WeakPolarHBondContact OE2-CD 3.45Å; E23-R27 IonicContact OE2-CZ 3.96Å; E23-R27 IonicContact OE2-NE 2.58Å; E23-R27 IonicContact OE2-NH1 3.48Å; E23-R27 PolarHBondContact OE2-NH1 3.24Å; G24-R27 PolarHBondContact O-N 3.44Å; T25-R27 PolarHBondContact O-N 3.17Å; R27-A30 PolarHBondContact O-N 3.28Å; R27-M31 HydrophobicContact CG-SD 4.2Å; R27-M31 WeakPolarHBondContact O-CB 3.22Å; R27-M31 VanDerWaalsContact O-CG 3.23Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.4Å
28	L	85.5	Confident	83.4	Confident	88 Å²	88	102.1 Å²	102.1	46%	0.461	54%	0.541	S	S	.	.	H	α-helix	trans	-60.4	-46.7	171.9	-74.3	172.1	0	0	0	111.4	E23 G24 T25 A30 M31 A32	E23-L28 HydrophobicContact CB-CD2 3.92Å; E23-L28 HydrophobicContact CB-CG 3.9Å; E23-L28 WeakPolarHBondContact O-CD1 3.26Å; G24-L28 PolarHBondContact O-N 2.89Å; T25-L28 PolarHBondContact O-N 3.31Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.34Å; L28-M31 PolarHBondContact O-N 3.32Å; L28-A32 VanDerWaalsContact O-CB 3.28Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.15Å
29	L	82.7	Confident	83	Confident	122 Å²	122	103.4 Å²	103.4	64%	0.639	55%	0.546	S	S	*	.	H	α-helix	trans	-64.3	-37	177	-72.4	172.3	0	0	0	112	T25 E26	T25-L29 HydrophobicContact CG2-CD1 4.14Å; T25-L29 WeakPolarHBondContact O-CB 3.32Å; T25-L29 WeakPolarHBondContact O-CG 3.38Å; T25-L29 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.49Å
30	A	80.5	Confident	82.3	Confident	83 Å²	83	101.5 Å²	101.5	69%	0.686	54%	0.538	S	S	*	.	H	α-helix	trans	-71.6	-30.6	176.4	0	0	0	0	0	113.4	E26 R27 L28	E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 2.78Å; R27-A30 PolarHBondContact O-N 3.28Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.34Å
31	M	81.1	Confident	82	Confident	119 Å²	119	100.6 Å²	100.6	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-86	-24.4	178.5	-71.5	178.2	69.3	0	0	113.4	R27 L28 E33	R27-M31 HydrophobicContact CG-SD 4.2Å; R27-M31 WeakPolarHBondContact O-CB 3.22Å; R27-M31 VanDerWaalsContact O-CG 3.23Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 3.4Å; L28-M31 PolarHBondContact O-N 3.32Å; M31-E33 PolarHBondContact O-N 3.49Å
32	A	84.3	Confident	81.9	Confident	47 Å²	47	91.6 Å²	91.6	39%	0.388	49%	0.494	S	S	.	.	S	Bend	trans	-69.5	125.4	-177.9	0	0	0	0	0	111.3	L28 T34 I37	L28-A32 VanDerWaalsContact O-CB 3.28Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.15Å; A32-T34 PolarHBondContact O-N 3.25Å; A32-T34 VanDerWaalsContact O-N 3.15Å; A32-I37 WeakPolarHBondContact O-CD1 3.33Å
33	E	83.4	Confident	81.1	Confident	95 Å²	95	85.7 Å²	85.7	44%	0.444	46%	0.462	S	S	.	.			trans	-79.1	97.9	170.7	-174.5	159.7	-169.4	0	0	109.4	M31 I37 R38 K41	M31-E33 PolarHBondContact O-N 3.49Å; E33-I37 HydrophobicContact CG-CG2 4.39Å; E33-R38 HydrophobicContact CG-CB 4.21Å; E33-R38 WeakPolarHBondContact OE1-CD 3.45Å; E33-R38 IonicContact OE1-NH1 3.81Å; E33-K41 WeakPolarHBondContact OE1-CD 3.35Å; E33-K41 WeakPolarHBondContact OE1-CE 3.28Å; E33-K41 IonicContact OE1-NZ 3.38Å; E33-K41 PolarHBondContact OE1-NZ 3.23Å; E33-K41 IonicContact OE2-NZ 2.76Å; E33-K41 PolarHBondContact OE2-NZ 2.78Å
34	T	83.8	Confident	80.5	Confident	63 Å²	63	84.1 Å²	84.1	39%	0.387	46%	0.458	S	S	.	.			trans	-77	163.6	174	68.9	0	0	0	0	110.7	A32 E36 I37 R38	A32-T34 PolarHBondContact O-N 3.25Å; A32-T34 VanDerWaalsContact O-N 3.15Å; T34-E36 PolarHBondContact O-N 2.9Å; T34-I37 HydrophobicContact CG2-CD1 4.29Å; T34-I37 PolarHBondContact O-N 3.27Å; T34-I37 VanDerWaalsContact O-N 3.16Å; T34-I37 WeakPolarHBondContact OG1-CG1 3.43Å; T34-I37 PolarHBondContact OG1-N 3.27Å; T34-R38 WeakPolarHBondContact O-CB 3.26Å; T34-R38 PolarHBondContact O-N 2.98Å
35	A	80.1	Confident	80.3	Confident	87 Å²	87	81.9 Å²	81.9	72%	0.719	44%	0.435	S	S	*	.	H	α-helix	trans	-56.9	-35.3	174.2	0	0	0	0	0	112.5	R38 Q39	A35-R38 PolarHBondContact O-N 2.92Å; A35-Q39 WeakPolarHBondContact O-CB 3.49Å; A35-Q39 PolarHBondContact O-N 2.89Å
36	E	71.4	Confident	79.7	Confident	152 Å²	152	77.4 Å²	77.4	71%	0.71	41%	0.406	S	S	*	.	H	α-helix	trans	-68	-43.6	175.7	-69.1	-176.6	161.6	0	0	112.4	T34 R38 Q39 Q40	T34-E36 PolarHBondContact O-N 2.9Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-Q39 PolarHBondContact O-N 3.5Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.28Å
37	I	77.2	Confident	78.8	Confident	60 Å²	60	71 Å²	71	31%	0.308	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-42.1	176	-67.4	168.3	0	0	0	109.8	A32 E33 T34 Q40 K41	A32-I37 WeakPolarHBondContact O-CD1 3.33Å; E33-I37 HydrophobicContact CG-CG2 4.39Å; T34-I37 HydrophobicContact CG2-CD1 4.29Å; T34-I37 PolarHBondContact O-N 3.27Å; T34-I37 VanDerWaalsContact O-N 3.16Å; T34-I37 WeakPolarHBondContact OG1-CG1 3.43Å; T34-I37 PolarHBondContact OG1-N 3.27Å; I37-Q40 PolarHBondContact O-N 3.34Å; I37-K41 PolarHBondContact O-N 2.96Å
38	R	85	Confident	78.2	Confident	50 Å²	50	64.8 Å²	64.8	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-47.7	175.2	-177.3	64	-179.8	168	5.6	111	E33 T34 A35 E36 Q40 K41 L42 M77 E82	E33-R38 HydrophobicContact CG-CB 4.21Å; E33-R38 WeakPolarHBondContact OE1-CD 3.45Å; E33-R38 IonicContact OE1-NH1 3.81Å; T34-R38 WeakPolarHBondContact O-CB 3.26Å; T34-R38 PolarHBondContact O-N 2.98Å; A35-R38 PolarHBondContact O-N 2.92Å; E36-R38 VanDerWaalsContact C-N 3.33Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 2.82Å; R38-K41 WeakPolarHBondContact O-CB 3.47Å; R38-K41 PolarHBondContact O-N 3.49Å; R38-K41 VanDerWaalsContact O-N 3.12Å; R38-L42 WeakPolarHBondContact O-CG 3.37Å; R38-L42 PolarHBondContact O-N 3.44Å; R38-M77 PolarHBondContact NH2-O 3.01Å; R38-E82 IonicContact CZ-OE1 3.93Å; R38-E82 IonicContact CZ-OE2 2.8Å; R38-E82 IonicContact NE-OE1 2.82Å; R38-E82 PolarHBondContact NE-OE1 3.27Å; R38-E82 IonicContact NH2-OE1 3.42Å; R38-E82 PolarHBondContact NH2-OE1 3.39Å; R38-E82 VanDerWaalsContact NH2-OE1 3.1Å; R38-E82 IonicContact NH2-OE2 3.67Å; R38-E82 PolarHBondContact NH2-OE2 3.27Å
39	Q	74.6	Confident	77.7	Confident	73 Å²	73	60.6 Å²	60.6	34%	0.341	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-41.5	176.5	-172.6	61	44.4	0	0	112	A35 E36 K41 L42 D43	A35-Q39 WeakPolarHBondContact O-CB 3.49Å; A35-Q39 PolarHBondContact O-N 2.89Å; E36-Q39 PolarHBondContact O-N 3.5Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 3.32Å; Q39-L42 PolarHBondContact O-N 3.18Å; Q39-D43 PolarHBondContact NE2-OD1 2.93Å; Q39-D43 VanDerWaalsContact O-CG 3.25Å; Q39-D43 PolarHBondContact O-N 3.31Å
40	Q	71	Confident	77	Confident	120 Å²	120	55.2 Å²	55.2	56%	0.561	30%	0.301	S	S	*	.	H	α-helix	trans	-63	-37.8	175.7	-70.4	173.2	18.6	0	0	112.7	E36 I37 R38 C44	E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.28Å; I37-Q40 PolarHBondContact O-N 3.34Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 2.82Å; Q40-C44 PolarHBondContact O-N 3.21Å; Q40-C44 PolarHBondContact O-SG 3.1Å
41	K	81.1	Confident	76.3	Confident	61 Å²	61	51.7 Å²	51.7	27%	0.265	27%	0.272	S	S	.	.	H	α-helix	trans	-65.6	-42.1	173.4	-70	-175.4	-169.8	173	0	111.5	E33 I37 R38 Q39 C44 F45	E33-K41 WeakPolarHBondContact OE1-CD 3.35Å; E33-K41 WeakPolarHBondContact OE1-CE 3.28Å; E33-K41 IonicContact OE1-NZ 3.38Å; E33-K41 PolarHBondContact OE1-NZ 3.23Å; E33-K41 IonicContact OE2-NZ 2.76Å; E33-K41 PolarHBondContact OE2-NZ 2.78Å; I37-K41 PolarHBondContact O-N 2.96Å; R38-K41 WeakPolarHBondContact O-CB 3.47Å; R38-K41 PolarHBondContact O-N 3.49Å; R38-K41 VanDerWaalsContact O-N 3.12Å; Q39-K41 VanDerWaalsContact C-N 3.33Å; Q39-K41 PolarHBondContact O-N 3.32Å; K41-C44 PolarHBondContact O-N 3.28Å; K41-F45 WeakPolarHBondContact O-CB 3.26Å; K41-F45 PolarHBondContact O-N 3.1Å
42	L	81.4	Confident	75.9	Confident	6 Å²	6	50 Å²	50	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-43.9	175.6	-66.3	-178.5	0	0	0	111.6	R38 Q39 C44 F45 F46 T76 L78 E82	R38-L42 WeakPolarHBondContact O-CG 3.37Å; R38-L42 PolarHBondContact O-N 3.44Å; Q39-L42 PolarHBondContact O-N 3.18Å; L42-C44 VanDerWaalsContact C-N 3.26Å; L42-C44 PolarHBondContact O-N 3.45Å; L42-F45 WeakPolarHBondContact O-CB 3.47Å; L42-F45 PolarHBondContact O-N 2.83Å; L42-F45 VanDerWaalsContact O-N 3.11Å; L42-F46 HydrophobicContact CB-CE2 4.17Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 2.78Å; L42-T76 HydrophobicContact CD2-CG2 4.19Å; L42-L78 HydrophobicContact CD1-CD1 4.27Å; L42-L78 HydrophobicContact CD2-CD1 3.44Å; L42-L78 VanDerWaalsContact CD2-CD1 3.44Å; L42-L78 HydrophobicContact CG-CD1 4.42Å; L42-E82 HydrophobicContact CD1-CB 4.04Å; L42-E82 HydrophobicContact CD1-CG 3.91Å
43	D	67.3	Low	75	Confident	33 Å²	33	48 Å²	48	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-41	174.3	-69.7	-2.4	0	0	0	111	Q39 R47	Q39-D43 PolarHBondContact NE2-OD1 2.93Å; Q39-D43 VanDerWaalsContact O-CG 3.25Å; Q39-D43 PolarHBondContact O-N 3.31Å; D43-R47 WeakPolarHBondContact O-CB 3.48Å; D43-R47 PolarHBondContact O-N 3.32Å; D43-R47 VanDerWaalsContact O-N 3.1Å
44	C	73.7	Confident	73.9	Confident	32 Å²	32	44.1 Å²	44.1	22%	0.216	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-41.3	174.9	-66	0	0	0	0	112.2	Q40 K41 L42 R47 E48 I73	Q40-C44 PolarHBondContact O-N 3.21Å; Q40-C44 PolarHBondContact O-SG 3.1Å; K41-C44 PolarHBondContact O-N 3.28Å; L42-C44 VanDerWaalsContact C-N 3.26Å; L42-C44 PolarHBondContact O-N 3.45Å; C44-R47 PolarHBondContact O-N 3.14Å; C44-E48 WeakPolarHBondContact O-CB 3.38Å; C44-E48 WeakPolarHBondContact O-CG 3.49Å; C44-E48 PolarHBondContact O-N 2.92Å; C44-I73 HydrophobicContact CB-CD1 4.08Å
45	F	83.1	Confident	73.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-54.9	-52.8	175.4	171.9	-79.5	0	0	0	111.3	K41 L42 R47 E48 A49 I73 T76 F113 F116	K41-F45 WeakPolarHBondContact O-CB 3.26Å; K41-F45 PolarHBondContact O-N 3.1Å; L42-F45 WeakPolarHBondContact O-CB 3.47Å; L42-F45 PolarHBondContact O-N 2.83Å; L42-F45 VanDerWaalsContact O-N 3.11Å; F45-R47 VanDerWaalsContact C-N 3.34Å; F45-R47 PolarHBondContact O-N 2.88Å; F45-E48 PolarHBondContact O-N 3.23Å; F45-A49 WeakPolarHBondContact O-CB 3.25Å; F45-A49 PolarHBondContact O-N 2.86Å; F45-I73 HydrophobicContact CB-CG2 4.35Å; F45-T76 HydrophobicContact CD2-CG2 4.17Å; F45-T76 WeakPolarHBondContact CE2-O 3.36Å; F45-F113 HydrophobicContact CD2-CB 4.24Å; F45-F113 AromaticContact CD2-CD2 3.59Å; F45-F113 HydrophobicContact CD2-CD2 3.59Å; F45-F113 HydrophobicContact CD2-CG 4.41Å; F45-F113 VanDerWaalsContact CE2-CA 3.41Å; F45-F113 HydrophobicContact CE2-CB 3.56Å; F45-F113 AromaticContact CE2-CD2 3.58Å; F45-F113 HydrophobicContact CE2-CD2 3.58Å; F45-F113 HydrophobicContact CE2-CG 4.04Å; F45-F113 HydrophobicContact CG-CD2 4.16Å; F45-F113 HydrophobicContact CZ-CB 4.22Å; F45-F113 HydrophobicContact CZ-CD2 4.11Å; F45-F113 WeakPolarHBondContact O-CE2 3.37Å; F45-F116 HydrophobicContact CE1-CB 4.26Å; F45-F116 AromaticContact CE1-CD1 3.73Å; F45-F116 HydrophobicContact CE1-CD1 3.73Å; F45-F116 HydrophobicContact CE1-CE1 4.3Å; F45-F116 HydrophobicContact CE1-CG 4Å; F45-F116 HydrophobicContact CZ-CB 4.05Å; F45-F116 HydrophobicContact CZ-CD1 4.26Å; F45-F116 HydrophobicContact CZ-CG 4.3Å
46	F	73.9	Confident	72.2	Confident	12 Å²	12	45.8 Å²	45.8	5%	0.053	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-41.8	-179.9	-65.7	-57.2	0	0	0	111.2	L42 E48 A49 Y50 L78 A86 F116 L695	L42-F46 HydrophobicContact CB-CE2 4.17Å; L42-F46 WeakPolarHBondContact O-CD2 3.42Å; L42-F46 PolarHBondContact O-N 2.78Å; F46-E48 PolarHBondContact O-N 3.1Å; F46-A49 PolarHBondContact O-N 3.5Å; F46-Y50 HydrophobicContact CB-CD2 4.19Å; F46-Y50 HydrophobicContact CB-CE2 3.93Å; F46-Y50 WeakPolarHBondContact O-CB 3.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 VanDerWaalsContact O-CG 3.29Å; F46-Y50 PolarHBondContact O-N 2.82Å; F46-L78 HydrophobicContact CE1-CD2 4.06Å; F46-L78 HydrophobicContact CE2-CD1 4.33Å; F46-L78 HydrophobicContact CZ-CD1 3.7Å; F46-L78 HydrophobicContact CZ-CD2 3.74Å; F46-L78 HydrophobicContact CZ-CG 4.42Å; F46-A86 HydrophobicContact CE2-CB 3.73Å; F46-A86 HydrophobicContact CZ-CB 3.87Å; F46-F116 AromaticContact CD1-CE1 3.77Å; F46-F116 HydrophobicContact CD1-CE1 3.77Å; F46-F116 HydrophobicContact CD1-CE2 4.46Å; F46-F116 AromaticContact CD1-CZ 3.74Å; F46-F116 HydrophobicContact CD1-CZ 3.74Å; F46-F116 HydrophobicContact CE1-CE1 4.24Å; F46-F116 HydrophobicContact CE1-CE2 4.25Å; F46-F116 AromaticContact CE1-CZ 3.99Å; F46-F116 HydrophobicContact CE1-CZ 3.99Å; F46-L695 HydrophobicContact CD1-CD1 3.66Å; F46-L695 HydrophobicContact CD1-CD2 3.86Å; F46-L695 HydrophobicContact CD1-CG 3.78Å; F46-L695 HydrophobicContact CD2-CD1 3.89Å; F46-L695 HydrophobicContact CE1-CD1 3.51Å; F46-L695 HydrophobicContact CE1-CD2 3.82Å; F46-L695 HydrophobicContact CE1-CG 3.98Å; F46-L695 HydrophobicContact CE2-CD1 3.72Å; F46-L695 HydrophobicContact CG-CD1 3.88Å; F46-L695 HydrophobicContact CG-CG 4.16Å; F46-L695 HydrophobicContact CZ-CD1 3.54Å; F46-L695 HydrophobicContact CZ-CG 4.48Å
47	R	66.9	Low	71.5	Confident	40 Å²	40	42 Å²	42	15%	0.151	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-46	179.5	-169.3	-170.6	-56.7	-173.9	15.2	112.6	D43 C44 F45 Y50 A51 M59 S61 N691	D43-R47 WeakPolarHBondContact O-CB 3.48Å; D43-R47 PolarHBondContact O-N 3.32Å; D43-R47 VanDerWaalsContact O-N 3.1Å; C44-R47 PolarHBondContact O-N 3.14Å; F45-R47 VanDerWaalsContact C-N 3.34Å; F45-R47 PolarHBondContact O-N 2.88Å; R47-Y50 PolarHBondContact O-N 3.37Å; R47-A51 VanDerWaalsContact O-CB 3.28Å; R47-A51 WeakPolarHBondContact O-CB 3.37Å; R47-A51 PolarHBondContact O-N 3.02Å; R47-M59 WeakPolarHBondContact CD-O 3.42Å; R47-M59 WeakPolarHBondContact CG-O 3.17Å; R47-S61 VanDerWaalsContact NH1-CB 3.25Å; R47-N691 VanDerWaalsContact CZ-O 3.28Å; R47-N691 PolarHBondContact NE-O 3.26Å; R47-N691 PolarHBondContact NH1-ND2 3.24Å; R47-N691 PolarHBondContact NH2-O 3.13Å
48	E	74.3	Confident	70.4	Confident	18 Å²	18	48.2 Å²	48.2	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-41	176.3	-71.1	-55	133.7	0	0	111.8	C44 F45 F46 Y50 A51 K52 S60 S61 I73 F113	C44-E48 WeakPolarHBondContact O-CB 3.38Å; C44-E48 WeakPolarHBondContact O-CG 3.49Å; C44-E48 PolarHBondContact O-N 2.92Å; F45-E48 PolarHBondContact O-N 3.23Å; F46-E48 PolarHBondContact O-N 3.1Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 3.34Å; E48-A51 PolarHBondContact O-N 2.94Å; E48-K52 WeakPolarHBondContact O-CB 3.35Å; E48-K52 WeakPolarHBondContact O-CG 3.43Å; E48-K52 PolarHBondContact O-N 3.27Å; E48-S60 WeakPolarHBondContact OE1-CB 3.12Å; E48-S60 PolarHBondContact OE1-OG 3.28Å; E48-S61 PolarHBondContact OE1-N 3.25Å; E48-I73 HydrophobicContact CB-CG2 4.48Å; E48-I73 HydrophobicContact CG-CD1 3.99Å; E48-I73 HydrophobicContact CG-CG2 4.45Å; E48-F113 HydrophobicContact CB-CE2 3.97Å; E48-F113 HydrophobicContact CB-CZ 4.04Å
49	A	75.2	Confident	68.8	Low	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-42.6	176.2	0	0	0	0	0	111.5	F45 F46 A53 F113 F116 L117	F45-A49 WeakPolarHBondContact O-CB 3.25Å; F45-A49 PolarHBondContact O-N 2.86Å; F46-A49 PolarHBondContact O-N 3.5Å; A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.04Å; A49-A53 PolarHBondContact O-N 3.08Å; A49-F113 HydrophobicContact CB-CE2 3.83Å; A49-F113 HydrophobicContact CB-CZ 4.09Å; A49-F116 HydrophobicContact CB-CD1 3.59Å; A49-F116 HydrophobicContact CB-CE1 3.59Å; A49-L117 WeakPolarHBondContact O-CD1 3.32Å
50	Y	67.5	Low	67.8	Low	9 Å²	9	44.3 Å²	44.3	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-43.8	177.1	-68.4	-48.4	0	0	0	113.3	F46 R47 E48 K52 A53 F54 V120 L695 T698 I702	F46-Y50 HydrophobicContact CB-CD2 4.19Å; F46-Y50 HydrophobicContact CB-CE2 3.93Å; F46-Y50 WeakPolarHBondContact O-CB 3.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 VanDerWaalsContact O-CG 3.29Å; F46-Y50 PolarHBondContact O-N 2.82Å; R47-Y50 PolarHBondContact O-N 3.37Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 3.34Å; Y50-K52 PolarHBondContact O-N 3.26Å; Y50-A53 PolarHBondContact O-N 3.12Å; Y50-F54 HydrophobicContact CD1-CD2 4.25Å; Y50-F54 AromaticContact CD1-CE2 3.71Å; Y50-F54 HydrophobicContact CD1-CE2 3.71Å; Y50-F54 HydrophobicContact CE1-CE2 4.41Å; Y50-F54 HydrophobicContact CG-CE2 4.48Å; Y50-F54 WeakPolarHBondContact O-CB 2.92Å; Y50-F54 VanDerWaalsContact O-CD2 3.24Å; Y50-F54 WeakPolarHBondContact O-CD2 3.48Å; Y50-F54 PolarHBondContact O-N 2.98Å; Y50-V120 HydrophobicContact CD1-CG1 3.84Å; Y50-V120 HydrophobicContact CE1-CG1 3.88Å; Y50-V120 HydrophobicContact CE1-CG2 4.33Å; Y50-L695 HydrophobicContact CE2-CG 4.31Å; Y50-L695 WeakPolarHBondContact OH-CA 3.35Å; Y50-L695 WeakPolarHBondContact OH-CB 3.33Å; Y50-L695 VanDerWaalsContact OH-CD2 3.24Å; Y50-L695 WeakPolarHBondContact OH-CD2 3.27Å; Y50-L695 WeakPolarHBondContact OH-CG 3.37Å; Y50-L695 PolarHBondContact OH-O 2.98Å; Y50-T698 HydrophobicContact CD1-CG2 4.37Å; Y50-T698 HydrophobicContact CD2-CG2 3.18Å; Y50-T698 HydrophobicContact CE1-CG2 4.45Å; Y50-T698 HydrophobicContact CE2-CG2 3.29Å; Y50-T698 HydrophobicContact CG-CG2 3.75Å; Y50-I702 HydrophobicContact CD1-CD1 4.05Å; Y50-I702 HydrophobicContact CD2-CD1 4.45Å; Y50-I702 HydrophobicContact CG-CD1 3.84Å
51	A	65.6	Low	66.9	Low	8 Å²	8	41 Å²	41	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-55.1	-42.8	175.8	0	0	0	0	0	110.8	R47 E48 N55 M56 M59	R47-A51 VanDerWaalsContact O-CB 3.28Å; R47-A51 WeakPolarHBondContact O-CB 3.37Å; R47-A51 PolarHBondContact O-N 3.02Å; E48-A51 PolarHBondContact O-N 2.94Å; A51-N55 WeakPolarHBondContact O-CA 3.39Å; A51-N55 PolarHBondContact O-N 3.25Å; A51-M56 PolarHBondContact O-N 2.91Å; A51-M59 HydrophobicContact CB-CB 4.28Å
52	K	72.8	Confident	65.3	Low	85 Å²	85	41.1 Å²	41.1	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-68.8	-49.2	174.3	-73	-176.5	179	-176.8	0	113.1	E48 Y50 F54 N55 F113 L117	E48-K52 WeakPolarHBondContact O-CB 3.35Å; E48-K52 WeakPolarHBondContact O-CG 3.43Å; E48-K52 PolarHBondContact O-N 3.27Å; Y50-K52 PolarHBondContact O-N 3.26Å; K52-F54 PolarHBondContact O-N 3.05Å; K52-N55 PolarHBondContact O-N 2.87Å; K52-F113 HydrophobicContact CD-CE1 4.15Å; K52-F113 HydrophobicContact CD-CZ 4.18Å; K52-L117 HydrophobicContact CB-CD1 3.83Å; K52-L117 HydrophobicContact CB-CD2 4.27Å; K52-L117 HydrophobicContact CD-CD2 3.96Å
53	A	66.1	Low	63.5	Low	3 Å²	3	49.6 Å²	49.6	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-34	-175.7	0	0	0	0	0	113.2	A49 Y50 L117 V120 I121 N125	A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3.04Å; A49-A53 PolarHBondContact O-N 3.08Å; Y50-A53 PolarHBondContact O-N 3.12Å; A53-L117 HydrophobicContact CB-CD1 4Å; A53-V120 HydrophobicContact CB-CB 4.26Å; A53-V120 HydrophobicContact CB-CG1 3.55Å; A53-I121 HydrophobicContact CB-CG1 3.76Å; A53-N125 PolarHBondContact O-ND2 3.06Å; A53-N125 VanDerWaalsContact O-ND2 3.13Å
54	F	60.9	Low	62.1	Low	15 Å²	15	53.5 Å²	53.5	7%	0.066	29%	0.29	C	S	.	.	H	α-helix	trans	-103.4	-2.5	-176.2	-63.2	-74.6	0	0	0	114.4	Y50 K52 M56 V120 A124 I702	Y50-F54 HydrophobicContact CD1-CD2 4.25Å; Y50-F54 AromaticContact CD1-CE2 3.71Å; Y50-F54 HydrophobicContact CD1-CE2 3.71Å; Y50-F54 HydrophobicContact CE1-CE2 4.41Å; Y50-F54 HydrophobicContact CG-CE2 4.48Å; Y50-F54 WeakPolarHBondContact O-CB 2.92Å; Y50-F54 VanDerWaalsContact O-CD2 3.24Å; Y50-F54 WeakPolarHBondContact O-CD2 3.48Å; Y50-F54 PolarHBondContact O-N 2.98Å; K52-F54 PolarHBondContact O-N 3.05Å; F54-M56 HydrophobicContact CB-CE 3.91Å; F54-M56 HydrophobicContact CB-CG 4.49Å; F54-V120 HydrophobicContact CE2-CG1 4.29Å; F54-A124 HydrophobicContact CD1-CB 3.85Å; F54-A124 HydrophobicContact CE1-CB 3.31Å; F54-A124 HydrophobicContact CZ-CB 3.85Å; F54-I702 HydrophobicContact CB-CG2 3.69Å; F54-I702 HydrophobicContact CD1-CB 4.36Å; F54-I702 HydrophobicContact CD1-CG2 3.27Å; F54-I702 HydrophobicContact CD2-CB 3.9Å; F54-I702 HydrophobicContact CD2-CD1 3.58Å; F54-I702 HydrophobicContact CD2-CG1 4.28Å; F54-I702 HydrophobicContact CD2-CG2 3.21Å; F54-I702 HydrophobicContact CE1-CB 4.11Å; F54-I702 HydrophobicContact CE1-CG2 3.47Å; F54-I702 VanDerWaalsContact CE1-CG2 3.47Å; F54-I702 HydrophobicContact CE2-CB 3.62Å; F54-I702 HydrophobicContact CE2-CD1 3.45Å; F54-I702 VanDerWaalsContact CE2-CD1 3.45Å; F54-I702 HydrophobicContact CE2-CG1 4.17Å; F54-I702 HydrophobicContact CE2-CG2 3.4Å; F54-I702 VanDerWaalsContact CE2-CG2 3.4Å; F54-I702 HydrophobicContact CG-CB 4.24Å; F54-I702 HydrophobicContact CG-CG2 3.1Å; F54-I702 HydrophobicContact CZ-CB 3.72Å; F54-I702 HydrophobicContact CZ-CD1 4.37Å; F54-I702 HydrophobicContact CZ-CG2 3.53Å
55	N	65.3	Low	60.2	Low	138 Å²	138	59.1 Å²	59.1	74%	0.738	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	44.5	-178.7	-156.1	26.1	0	0	0	113	A51 K52	A51-N55 WeakPolarHBondContact O-CA 3.39Å; A51-N55 PolarHBondContact O-N 3.25Å; K52-N55 PolarHBondContact O-N 2.87Å
56	M	61.6	Low	57.8	Low	46 Å²	46	68.5 Å²	68.5	23%	0.227	36%	0.355	C	S	.	.			trans	-118.7	90.3	179.6	-68.8	-168.6	-59.3	0	0	110	A51 F54 E58 M59 I702 Q705	A51-M56 PolarHBondContact O-N 2.91Å; F54-M56 HydrophobicContact CB-CE 3.91Å; F54-M56 HydrophobicContact CB-CG 4.49Å; M56-E58 PolarHBondContact O-N 2.82Å; M56-M59 HydrophobicContact CB-CG 4.25Å; M56-M59 HydrophobicContact CE-CE 3.63Å; M56-M59 HydrophobicContact CE-CG 4.33Å; M56-M59 HydrophobicContact CE-SD 4.05Å; M56-M59 PolarHBondContact O-N 3.29Å; M56-I702 HydrophobicContact CE-CB 4.5Å; M56-I702 HydrophobicContact CE-CG1 4.27Å; M56-I702 HydrophobicContact CE-CG2 3.47Å; M56-I702 VanDerWaalsContact CE-CG2 3.47Å; M56-Q705 HydrophobicContact SD-CB 4.47Å; M56-Q705 PolarHBondContact SD-OE1 2.93Å
57	P	56.9	Low	56.2	Low	72 Å²	72	75.7 Å²	75.7	47%	0.468	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.7	-175.8	24.9	-32.6	0	0	0	112.9	M59 S60	P57-M59 PolarHBondContact O-N 3.5Å; P57-M59 VanDerWaalsContact O-N 3.13Å; P57-S60 WeakPolarHBondContact O-CB 3.42Å; P57-S60 PolarHBondContact O-N 3.41Å
58	E	53.6	Low	55.2	Low	191 Å²	191	76.5 Å²	76.5	89%	0.893	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21.4	176.4	-63.1	178.1	178.6	0	0	113.5	M56	M56-E58 PolarHBondContact O-N 2.82Å
59	M	52.2	Low	54.1	Low	19 Å²	19	78.2 Å²	78.2	9%	0.094	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-83.2	-16.4	175.4	-65.2	-138.1	-58.4	0	0	112.7	R47 A51 M56 P57 F690 I702	R47-M59 WeakPolarHBondContact CD-O 3.42Å; R47-M59 WeakPolarHBondContact CG-O 3.17Å; A51-M59 HydrophobicContact CB-CB 4.28Å; M56-M59 HydrophobicContact CB-CG 4.25Å; M56-M59 HydrophobicContact CE-CE 3.63Å; M56-M59 HydrophobicContact CE-CG 4.33Å; M56-M59 HydrophobicContact CE-SD 4.05Å; M56-M59 PolarHBondContact O-N 3.29Å; P57-M59 PolarHBondContact O-N 3.5Å; P57-M59 VanDerWaalsContact O-N 3.13Å; M59-F690 HydrophobicContact SD-CB 4.37Å; M59-I702 HydrophobicContact CE-CD1 3.34Å; M59-I702 HydrophobicContact CE-CG1 3.75Å; M59-I702 HydrophobicContact SD-CG1 4.47Å
60	S	53.7	Low	53.4	Low	23 Å²	23	80.9 Å²	80.9	16%	0.161	45%	0.445	C	S	.	.	S	Bend	trans	-65.5	143.7	177	174.5	0	0	0	0	110.5	E48 P57 S62	E48-S60 WeakPolarHBondContact OE1-CB 3.12Å; E48-S60 PolarHBondContact OE1-OG 3.28Å; P57-S60 WeakPolarHBondContact O-CB 3.42Å; P57-S60 PolarHBondContact O-N 3.41Å; S60-S62 PolarHBondContact O-N 3.41Å; S60-S62 PolarHBondContact OG-N 3.19Å; S60-S62 PolarHBondContact OG-OG 2.99Å
61	S	52.5	Low	53.4	Low	51 Å²	51	88 Å²	88	36%	0.357	48%	0.476	S	S	.	.			trans	-71.6	-9.8	178.7	64.7	0	0	0	0	113.4	R47 E48 L63	R47-S61 VanDerWaalsContact NH1-CB 3.25Å; E48-S61 PolarHBondContact OE1-N 3.25Å; S61-L63 PolarHBondContact O-N 3.38Å
62	S	46.9	Very low	53.7	Low	63 Å²	63	90.8 Å²	90.8	44%	0.441	49%	0.493	S	S	.	.			trans	-88.2	95.2	-167.3	60.8	0	0	0	0	112.4	S60 V64	S60-S62 PolarHBondContact O-N 3.41Å; S60-S62 PolarHBondContact OG-N 3.19Å; S60-S62 PolarHBondContact OG-OG 2.99Å; S62-V64 WeakPolarHBondContact CB-O 3.49Å; S62-V64 PolarHBondContact O-N 3.44Å
63	L	42.8	Very low	53.7	Low	183 Å²	183	87.9 Å²	87.9	96%	0.958	48%	0.481	S	S	*	.	S	Bend	trans	-65.2	24.7	144.5	-95.5	151.3	0	0	0	112	S61	S61-L63 PolarHBondContact O-N 3.38Å
64	V	37.9	Very low	54.1	Low	115 Å²	115	91.4 Å²	91.4	70%	0.697	50%	0.499	S	S	*	.	S	Bend	trans	-135.6	131.2	-173.2	-170.4	0	0	0	0	108.7	S62	S62-V64 WeakPolarHBondContact CB-O 3.49Å; S62-V64 PolarHBondContact O-N 3.44Å
65	N	34.3	Very low	55.1	Low	150 Å²	150	97.2 Å²	97.2	80%	0.802	53%	0.526	S	S	*	.			trans	-29.9	140.5	-172	-85.5	-20.5	0	0	0	117.9	D67	N65-D67 PolarHBondContact O-N 3.16Å
66	Y	33.3	Very low	56	Low	198 Å²	198	91.1 Å²	91.1	78%	0.776	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	9.7	-170.9	-126.4	-99.2	0	0	0	118
67	D	41.2	Very low	57.3	Low	163 Å²	163	92.1 Å²	92.1	87%	0.872	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-3.1	-170.3	-74.8	-25	0	0	0	115.7	N65	N65-D67 PolarHBondContact O-N 3.16Å
68	G	44	Very low	58.9	Low	57 Å²	57	88.7 Å²	88.7	59%	0.588	48%	0.476	S	S	*	.			trans	-139.5	80.1	-175.4	0	0	0	0	0	112.3	S70	G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 3.02Å
69	V	51.8	Low	60.6	Low	54 Å²	54	81.8 Å²	81.8	33%	0.327	45%	0.448	S	S	.	.			trans	-49.8	109.5	157.1	-180	0	0	0	0	105.3	K71 L74	V69-K71 PolarHBondContact O-N 3.28Å; V69-L74 HydrophobicContact CB-CD1 4.08Å; V69-L74 HydrophobicContact CB-CG 4.44Å; V69-L74 HydrophobicContact CG1-CD1 3.85Å; V69-L74 HydrophobicContact CG1-CD2 4Å; V69-L74 HydrophobicContact CG1-CG 3.66Å
70	S	61.7	Low	62.3	Low	56 Å²	56	84.2 Å²	84.2	39%	0.392	46%	0.456	S	S	.	.			trans	-49.8	117.9	-169	179.3	0	0	0	0	107.8	G68 T72 I73 L74	G68-S70 VanDerWaalsContact C-N 3.34Å; G68-S70 PolarHBondContact O-N 3.02Å; S70-T72 CarbonylContact O-C 3.54Å; S70-T72 PolarHBondContact O-N 3.17Å; S70-T72 PolarHBondContact OG-OG1 3.15Å; S70-I73 PolarHBondContact O-N 3.14Å; S70-L74 PolarHBondContact O-N 3.1Å
71	K	66.9	Low	63.8	Low	159 Å²	159	85 Å²	85	69%	0.691	46%	0.464	S	S	*	.	H	α-helix	trans	-44.9	-36.9	-178.1	-79.9	-178.1	173.8	-179.6	0	111.3	V69 I73 L74 E75	V69-K71 PolarHBondContact O-N 3.28Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.44Å; K71-L74 PolarHBondContact O-N 2.7Å; K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 VanDerWaalsContact O-CG 3.26Å; K71-E75 WeakPolarHBondContact O-CG 3.27Å; K71-E75 PolarHBondContact O-N 3.38Å
72	T	71	Confident	65.4	Low	66 Å²	66	84.5 Å²	84.5	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-48.3	-43.6	171	-29	0	0	0	0	115.1	S70 T76	S70-T72 CarbonylContact O-C 3.54Å; S70-T72 PolarHBondContact O-N 3.17Å; S70-T72 PolarHBondContact OG-OG1 3.15Å; T72-T76 PolarHBondContact O-N 3.38Å; T72-T76 VanDerWaalsContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.37Å
73	I	73	Confident	67.1	Low	23 Å²	23	81.7 Å²	81.7	12%	0.118	44%	0.435	C	S	.	.	H	α-helix	trans	-73.3	-42.3	179.9	-61.5	174.5	0	0	0	110.5	C44 F45 E48 S70 K71 E75 T76 F113	C44-I73 HydrophobicContact CB-CD1 4.08Å; F45-I73 HydrophobicContact CB-CG2 4.35Å; E48-I73 HydrophobicContact CB-CG2 4.48Å; E48-I73 HydrophobicContact CG-CD1 3.99Å; E48-I73 HydrophobicContact CG-CG2 4.45Å; S70-I73 PolarHBondContact O-N 3.14Å; K71-I73 VanDerWaalsContact C-N 3.34Å; K71-I73 PolarHBondContact O-N 3.44Å; I73-E75 VanDerWaalsContact C-N 3.28Å; I73-E75 PolarHBondContact O-N 2.96Å; I73-T76 WeakPolarHBondContact O-CB 3.46Å; I73-T76 PolarHBondContact O-N 3.01Å; I73-T76 VanDerWaalsContact O-N 3.17Å; I73-F113 HydrophobicContact CG2-CD2 4.21Å; I73-F113 HydrophobicContact CG2-CE2 4.18Å
74	L	75.6	Confident	68.6	Low	77 Å²	77	73 Å²	73	40%	0.403	39%	0.39	S	S	.	.	H	α-helix	trans	-65.8	-33.7	177.5	-70	168.4	0	0	0	112.1	V69 S70 K71 T76 F113	V69-L74 HydrophobicContact CB-CD1 4.08Å; V69-L74 HydrophobicContact CB-CG 4.44Å; V69-L74 HydrophobicContact CG1-CD1 3.85Å; V69-L74 HydrophobicContact CG1-CD2 4Å; V69-L74 HydrophobicContact CG1-CG 3.66Å; S70-L74 PolarHBondContact O-N 3.1Å; K71-L74 PolarHBondContact O-N 2.7Å; L74-T76 VanDerWaalsContact C-N 3.31Å; L74-F113 HydrophobicContact CD2-CD1 3.57Å; L74-F113 HydrophobicContact CD2-CE1 3.96Å; L74-F113 HydrophobicContact CD2-CG 4.14Å
75	E	81.2	Confident	70.1	Confident	138 Å²	138	71.1 Å²	71.1	65%	0.645	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.9	176.2	-69.9	168.1	-167.7	0	0	112.9	K71 I73 M77	K71-E75 WeakPolarHBondContact O-CB 3.47Å; K71-E75 VanDerWaalsContact O-CG 3.26Å; K71-E75 WeakPolarHBondContact O-CG 3.27Å; K71-E75 PolarHBondContact O-N 3.38Å; I73-E75 VanDerWaalsContact C-N 3.28Å; I73-E75 PolarHBondContact O-N 2.96Å; E75-M77 PolarHBondContact O-N 3.43Å
76	T	84.4	Confident	71.7	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.055	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-71.2	118.7	178.5	-65.6	0	0	0	0	109.7	L42 F45 T72 I73 L74	L42-T76 HydrophobicContact CD2-CG2 4.19Å; F45-T76 HydrophobicContact CD2-CG2 4.17Å; F45-T76 WeakPolarHBondContact CE2-O 3.36Å; T72-T76 PolarHBondContact O-N 3.38Å; T72-T76 VanDerWaalsContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.37Å; I73-T76 WeakPolarHBondContact O-CB 3.46Å; I73-T76 PolarHBondContact O-N 3.01Å; I73-T76 VanDerWaalsContact O-N 3.17Å; L74-T76 VanDerWaalsContact C-N 3.31Å
77	M	89.7	Confident	73.1	Confident	67 Å²	67	56.2 Å²	56.2	33%	0.33	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-103.6	139.1	172.8	-63.2	-177.4	179.1	0	0	110.1	R38 E75 K110 I111	R38-M77 PolarHBondContact NH2-O 3.01Å; E75-M77 PolarHBondContact O-N 3.43Å; M77-K110 HydrophobicContact CB-CB 4.11Å; M77-K110 HydrophobicContact CB-CD 3.96Å; M77-K110 HydrophobicContact SD-CB 4.34Å; M77-K110 HydrophobicContact SD-CD 3.95Å; M77-I111 CarbonylContact C-O 3.59Å; M77-I111 WeakPolarHBondContact CA-O 3.37Å
78	L	88.7	Confident	73.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.5	-178.7	-167.4	78.6	0	0	0	110.3	L42 F46 E82 F83 K110 I111	L42-L78 HydrophobicContact CD1-CD1 4.27Å; L42-L78 HydrophobicContact CD2-CD1 3.44Å; L42-L78 VanDerWaalsContact CD2-CD1 3.44Å; L42-L78 HydrophobicContact CG-CD1 4.42Å; F46-L78 HydrophobicContact CE1-CD2 4.06Å; F46-L78 HydrophobicContact CE2-CD1 4.33Å; F46-L78 HydrophobicContact CZ-CD1 3.7Å; F46-L78 HydrophobicContact CZ-CD2 3.74Å; F46-L78 HydrophobicContact CZ-CG 4.42Å; L78-E82 HydrophobicContact CD1-CB 3.53Å; L78-E82 HydrophobicContact CG-CB 3.98Å; L78-F83 HydrophobicContact CD2-CB 3.52Å; L78-F83 HydrophobicContact CD2-CD2 3.49Å; L78-F83 VanDerWaalsContact CD2-CD2 3.49Å; L78-F83 HydrophobicContact CD2-CG 3.94Å; L78-F83 HydrophobicContact CG-CB 4.14Å; L78-K110 CarbonylContact O-C 3.59Å; L78-K110 WeakPolarHBondContact O-CA 3.12Å; L78-I111 HydrophobicContact CB-CB 4.24Å; L78-I111 PolarHBondContact N-O 3.16Å; L78-I111 PolarHBondContact O-N 3.35Å
79	T	90.3	Very high	74.4	Confident	47 Å²	47	48.8 Å²	48.8	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	165.5	172.2	65.3	0	0	0	0	111.4	A81 E82 F83	T79-A81 PolarHBondContact O-N 3.47Å; T79-E82 PolarHBondContact N-OE2 3.47Å; T79-E82 PolarHBondContact O-N 3.33Å; T79-E82 WeakPolarHBondContact OG1-CB 3.22Å; T79-E82 WeakPolarHBondContact OG1-CG 3.5Å; T79-E82 PolarHBondContact OG1-N 2.93Å; T79-E82 PolarHBondContact OG1-OE2 2.99Å; T79-F83 WeakPolarHBondContact O-CB 3.44Å; T79-F83 PolarHBondContact O-N 3Å
80	R	88.1	Confident	75	Confident	69 Å²	69	48.9 Å²	48.9	26%	0.26	27%	0.271	S	S	.	.	H	α-helix	trans	-60.7	-44	175.7	-168.7	-177.9	-62.2	164.6	6.1	112.1	E82 F83 A84 E91 I96 F100	R80-E82 PolarHBondContact O-N 3.02Å; R80-F83 PolarHBondContact O-N 3.25Å; R80-A84 WeakPolarHBondContact O-CB 3.13Å; R80-A84 PolarHBondContact O-N 3.5Å; R80-E91 HydrophobicContact CB-CG 4.39Å; R80-E91 HydrophobicContact CG-CG 4.02Å; R80-I96 HydrophobicContact CG-CG2 4.07Å; R80-F100 HydrophobicContact CB-CD1 4.48Å; R80-F100 HydrophobicContact CB-CD2 3.93Å; R80-F100 HydrophobicContact CB-CE1 4.35Å; R80-F100 HydrophobicContact CB-CE2 3.81Å; R80-F100 HydrophobicContact CB-CG 4.27Å; R80-F100 HydrophobicContact CB-CZ 4.02Å; R80-F100 HydrophobicContact CG-CB 4.39Å; R80-F100 HydrophobicContact CG-CD1 4.44Å; R80-F100 HydrophobicContact CG-CD2 3.94Å; R80-F100 HydrophobicContact CG-CE2 4.34Å; R80-F100 HydrophobicContact CG-CG 4Å
81	A	85.7	Confident	75.7	Confident	40 Å²	40	51 Å²	51	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-56.8	-46.6	173.6	0	0	0	0	0	112.6	T79 F83 A84 D85 E91	T79-A81 PolarHBondContact O-N 3.47Å; A81-F83 VanDerWaalsContact C-N 3.35Å; A81-F83 PolarHBondContact O-N 3.48Å; A81-A84 PolarHBondContact O-N 2.72Å; A81-D85 VanDerWaalsContact O-CB 3.25Å; A81-D85 WeakPolarHBondContact O-CB 3.43Å; A81-D85 PolarHBondContact O-N 3.46Å; A81-E91 HydrophobicContact CB-CG 4.49Å; A81-E91 WeakPolarHBondContact CB-OE2 3.37Å
82	E	85.8	Confident	76.2	Confident	40 Å²	40	50.2 Å²	50.2	19%	0.187	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-36.5	177.9	-69.6	169.3	149.3	0	0	112	R38 L42 L78 T79 R80 A86	R38-E82 IonicContact CZ-OE1 3.93Å; R38-E82 IonicContact CZ-OE2 2.8Å; R38-E82 IonicContact NE-OE1 2.82Å; R38-E82 PolarHBondContact NE-OE1 3.27Å; R38-E82 IonicContact NH2-OE1 3.42Å; R38-E82 PolarHBondContact NH2-OE1 3.39Å; R38-E82 VanDerWaalsContact NH2-OE1 3.1Å; R38-E82 IonicContact NH2-OE2 3.67Å; R38-E82 PolarHBondContact NH2-OE2 3.27Å; L42-E82 HydrophobicContact CD1-CB 4.04Å; L42-E82 HydrophobicContact CD1-CG 3.91Å; L78-E82 HydrophobicContact CD1-CB 3.53Å; L78-E82 HydrophobicContact CG-CB 3.98Å; T79-E82 PolarHBondContact N-OE2 3.47Å; T79-E82 PolarHBondContact O-N 3.33Å; T79-E82 WeakPolarHBondContact OG1-CB 3.22Å; T79-E82 WeakPolarHBondContact OG1-CG 3.5Å; T79-E82 PolarHBondContact OG1-N 2.93Å; T79-E82 PolarHBondContact OG1-OE2 2.99Å; R80-E82 PolarHBondContact O-N 3.02Å; E82-A86 WeakPolarHBondContact O-CB 3.44Å; E82-A86 PolarHBondContact O-N 3.38Å
83	F	82.5	Confident	76	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-44.4	175.4	-174	-119.3	0	0	0	112.5	L78 T79 R80 A81 A86 L87 I96 L99 F100 I111 F116 L695	L78-F83 HydrophobicContact CD2-CB 3.52Å; L78-F83 HydrophobicContact CD2-CD2 3.49Å; L78-F83 VanDerWaalsContact CD2-CD2 3.49Å; L78-F83 HydrophobicContact CD2-CG 3.94Å; L78-F83 HydrophobicContact CG-CB 4.14Å; T79-F83 WeakPolarHBondContact O-CB 3.44Å; T79-F83 PolarHBondContact O-N 3Å; R80-F83 PolarHBondContact O-N 3.25Å; A81-F83 VanDerWaalsContact C-N 3.35Å; A81-F83 PolarHBondContact O-N 3.48Å; F83-A86 PolarHBondContact O-N 3.42Å; F83-L87 HydrophobicContact CD1-CD1 4.12Å; F83-L87 HydrophobicContact CD2-CD1 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.66Å; F83-L87 HydrophobicContact CE2-CD1 3.97Å; F83-L87 HydrophobicContact CG-CD1 4.49Å; F83-L87 HydrophobicContact CZ-CD1 3.59Å; F83-L87 PolarHBondContact O-N 2.6Å; F83-L87 VanDerWaalsContact O-N 3.08Å; F83-I96 HydrophobicContact CD1-CG2 4.45Å; F83-L99 HydrophobicContact CE1-CB 4.16Å; F83-L99 HydrophobicContact CE1-CD2 3.7Å; F83-L99 HydrophobicContact CE1-CG 3.76Å; F83-L99 HydrophobicContact CZ-CD2 3.51Å; F83-L99 HydrophobicContact CZ-CG 3.72Å; F83-F100 HydrophobicContact CB-CD2 4.05Å; F83-F100 HydrophobicContact CB-CE2 4.32Å; F83-F100 HydrophobicContact CD1-CB 4.25Å; F83-F100 AromaticContact CD1-CD2 3.84Å; F83-F100 HydrophobicContact CD1-CD2 3.84Å; F83-F100 HydrophobicContact CE1-CB 4.46Å; F83-F100 HydrophobicContact CG-CD2 4.18Å; F83-I111 HydrophobicContact CB-CD1 4.45Å; F83-I111 HydrophobicContact CD1-CD1 4.2Å; F83-I111 HydrophobicContact CD2-CD1 4.04Å; F83-I111 HydrophobicContact CE1-CD1 4.44Å; F83-I111 HydrophobicContact CE2-CD1 4.29Å; F83-I111 HydrophobicContact CG-CD1 3.97Å; F83-I111 HydrophobicContact CZ-CD1 4.47Å; F83-F116 HydrophobicContact CE2-CD2 4.42Å; F83-F116 HydrophobicContact CE2-CE2 4.15Å; F83-L695 HydrophobicContact CE2-CD2 4.49Å
84	A	73.6	Confident	75.9	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-48.9	174.7	0	0	0	0	0	110.6	R80 A81 A86 L87 G88 M89 E91 I96	R80-A84 WeakPolarHBondContact O-CB 3.13Å; R80-A84 PolarHBondContact O-N 3.5Å; A81-A84 PolarHBondContact O-N 2.72Å; A84-A86 VanDerWaalsContact C-N 3.27Å; A84-A86 PolarHBondContact O-N 3.42Å; A84-L87 CarbonylContact O-C 3.59Å; A84-L87 PolarHBondContact O-N 3.26Å; A84-L87 VanDerWaalsContact O-N 3.11Å; A84-G88 PolarHBondContact O-N 3.02Å; A84-M89 CarbonylContact C-O 3.4Å; A84-M89 WeakPolarHBondContact CB-O 3.48Å; A84-M89 PolarHBondContact O-N 3.46Å; A84-E91 HydrophobicContact CB-CB 4.29Å; A84-I96 HydrophobicContact CB-CD1 4.47Å; A84-I96 HydrophobicContact CB-CG1 4.21Å; A84-I96 HydrophobicContact CB-CG2 3.79Å
85	D	70.3	Confident	75.6	Confident	76 Å²	76	48.3 Å²	48.3	41%	0.406	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-36	-178.2	-165.1	59.2	0	0	0	112.3	A81 G88 K659	A81-D85 VanDerWaalsContact O-CB 3.25Å; A81-D85 WeakPolarHBondContact O-CB 3.43Å; A81-D85 PolarHBondContact O-N 3.46Å; D85-G88 PolarHBondContact O-N 2.85Å; D85-K659 PolarHBondContact O-NZ 2.93Å; D85-K659 IonicContact OD1-NZ 3.79Å; D85-K659 PolarHBondContact OD1-NZ 2.9Å; D85-K659 IonicContact OD2-NZ 3.01Å; D85-K659 PolarHBondContact OD2-NZ 3.45Å
86	A	66.9	Low	75.3	Confident	8 Å²	8	41.8 Å²	41.8	7%	0.066	24%	0.235	C	C	.	.	H	α-helix	trans	-76.7	-21.8	178.3	0	0	0	0	0	113.6	F46 E82 F83 A84 L695	F46-A86 HydrophobicContact CE2-CB 3.73Å; F46-A86 HydrophobicContact CZ-CB 3.87Å; E82-A86 WeakPolarHBondContact O-CB 3.44Å; E82-A86 PolarHBondContact O-N 3.38Å; F83-A86 PolarHBondContact O-N 3.42Å; A84-A86 VanDerWaalsContact C-N 3.27Å; A84-A86 PolarHBondContact O-N 3.42Å; A86-L695 HydrophobicContact CB-CD1 3.22Å; A86-L695 WeakPolarHBondContact O-CD1 3.46Å; A86-L695 PolarHBondContact O-N 3.46Å; A86-L695 VanDerWaalsContact O-N 3.12Å
87	L	62.6	Low	75.1	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-87.5	-10.1	167.2	-72.9	170.5	0	0	0	112.9	F83 A84 M89 I96 L99 L695	F83-L87 HydrophobicContact CD1-CD1 4.12Å; F83-L87 HydrophobicContact CD2-CD1 4.4Å; F83-L87 HydrophobicContact CE1-CD1 3.66Å; F83-L87 HydrophobicContact CE2-CD1 3.97Å; F83-L87 HydrophobicContact CG-CD1 4.49Å; F83-L87 HydrophobicContact CZ-CD1 3.59Å; F83-L87 PolarHBondContact O-N 2.6Å; F83-L87 VanDerWaalsContact O-N 3.08Å; A84-L87 CarbonylContact O-C 3.59Å; A84-L87 PolarHBondContact O-N 3.26Å; A84-L87 VanDerWaalsContact O-N 3.11Å; L87-M89 HydrophobicContact CB-CG 4.27Å; L87-M89 HydrophobicContact CB-SD 4.44Å; L87-I96 HydrophobicContact CB-CD1 4.02Å; L87-I96 HydrophobicContact CD1-CD1 3.41Å; L87-I96 VanDerWaalsContact CD1-CD1 3.41Å; L87-I96 HydrophobicContact CG-CD1 4.34Å; L87-L99 HydrophobicContact CD1-CD2 3.79Å; L87-L695 HydrophobicContact CD2-CB 3.88Å; L87-L695 HydrophobicContact CD2-CD2 4.37Å
88	G	55.1	Low	74.6	Confident	31 Å²	31	41.9 Å²	41.9	32%	0.32	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	34.6	-177.1	0	0	0	0	0	112.8	A84 D85	A84-G88 PolarHBondContact O-N 3.02Å; D85-G88 PolarHBondContact O-N 2.85Å
89	M	58.6	Low	74	Confident	33 Å²	33	43.1 Å²	43.1	16%	0.163	24%	0.24	C	C	.	.			trans	-124.1	159.1	-176.7	-60.6	-175.2	69	0	0	110.8	A84 L87 D93 L95 I96 L162	A84-M89 CarbonylContact C-O 3.4Å; A84-M89 WeakPolarHBondContact CB-O 3.48Å; A84-M89 PolarHBondContact O-N 3.46Å; L87-M89 HydrophobicContact CB-CG 4.27Å; L87-M89 HydrophobicContact CB-SD 4.44Å; M89-D93 HydrophobicContact CE-CB 3.89Å; M89-D93 WeakPolarHBondContact CE-OD2 3.33Å; M89-L95 HydrophobicContact CE-CB 4.03Å; M89-L95 HydrophobicContact CE-CD2 3.86Å; M89-L95 HydrophobicContact CE-CG 4.46Å; M89-L95 HydrophobicContact SD-CD2 3.93Å; M89-I96 HydrophobicContact CB-CD1 3.84Å; M89-I96 HydrophobicContact CB-CG1 3.59Å; M89-I96 HydrophobicContact CE-CD1 4.48Å; M89-I96 HydrophobicContact CE-CG1 4.12Å; M89-I96 HydrophobicContact CG-CD1 4.16Å; M89-I96 HydrophobicContact CG-CG1 4.29Å; M89-I96 HydrophobicContact SD-CD1 3.59Å; M89-I96 VanDerWaalsContact SD-CD1 3.59Å; M89-I96 HydrophobicContact SD-CG1 3.86Å; M89-L162 HydrophobicContact CE-CD1 3.6Å; M89-L162 HydrophobicContact CG-CD1 4.36Å; M89-L162 HydrophobicContact SD-CD1 3.37Å; M89-L162 WeakPolarHBondContact SD-CD1 3.35Å
90	A	63.6	Low	73.7	Confident	56 Å²	56	40.9 Å²	40.9	46%	0.463	23%	0.226	S	C	.	.			trans	-70.5	148.1	172.3	0	0	0	0	0	110.2	D92 D93	A90-D92 WeakPolarHBondContact CB-OD1 3.43Å; A90-D92 PolarHBondContact O-N 3.44Å; A90-D93 WeakPolarHBondContact O-CB 3.38Å; A90-D93 PolarHBondContact O-N 2.9Å
91	E	76.6	Confident	73.5	Confident	102 Å²	102	45 Å²	45	48%	0.477	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.5	-177.8	-176.8	177.6	-174.3	0	0	112.7	R80 A81 A84	R80-E91 HydrophobicContact CB-CG 4.39Å; R80-E91 HydrophobicContact CG-CG 4.02Å; A81-E91 HydrophobicContact CB-CG 4.49Å; A81-E91 WeakPolarHBondContact CB-OE2 3.37Å; A84-E91 HydrophobicContact CB-CB 4.29Å
92	D	76.5	Confident	73.2	Confident	142 Å²	142	43.7 Å²	43.7	76%	0.759	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.3	179.8	59.6	-39	0	0	0	114	A90 L94	A90-D92 WeakPolarHBondContact CB-OD1 3.43Å; A90-D92 PolarHBondContact O-N 3.44Å; D92-L94 PolarHBondContact O-N 3.29Å
93	D	66.9	Low	73.1	Confident	53 Å²	53	41.9 Å²	41.9	28%	0.283	22%	0.222	S	C	.	.			trans	-67.2	130.5	175.7	-165.3	-54.9	0	0	0	110.9	M89 A90 L95 I96 E97	M89-D93 HydrophobicContact CE-CB 3.89Å; M89-D93 WeakPolarHBondContact CE-OD2 3.33Å; A90-D93 WeakPolarHBondContact O-CB 3.38Å; A90-D93 PolarHBondContact O-N 2.9Å; D93-L95 PolarHBondContact O-N 3.46Å; D93-L95 WeakPolarHBondContact OD1-CB 3.41Å; D93-L95 PolarHBondContact OD1-N 2.88Å; D93-I96 HydrophobicContact CB-CB 4.38Å; D93-I96 HydrophobicContact CB-CG1 4.14Å; D93-I96 WeakPolarHBondContact O-CA 3.41Å; D93-I96 WeakPolarHBondContact O-CB 3.45Å; D93-I96 PolarHBondContact O-N 2.84Å; D93-E97 PolarHBondContact O-N 3.41Å
94	L	71.7	Confident	73.3	Confident	60 Å²	60	42.2 Å²	42.2	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-35.7	-178.2	-176.4	65.3	0	0	0	112.4	D92 E97 R98	D92-L94 PolarHBondContact O-N 3.29Å; L94-E97 PolarHBondContact O-N 2.84Å; L94-R98 HydrophobicContact CD1-CG 4.45Å; L94-R98 WeakPolarHBondContact O-CB 3.39Å; L94-R98 VanDerWaalsContact O-CG 3.32Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 3.38Å
95	L	68.4	Low	73.7	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-42.9	176.6	179.6	68.6	0	0	0	111.1	M89 D93 R98 L99 F155 L162	M89-L95 HydrophobicContact CE-CB 4.03Å; M89-L95 HydrophobicContact CE-CD2 3.86Å; M89-L95 HydrophobicContact CE-CG 4.46Å; M89-L95 HydrophobicContact SD-CD2 3.93Å; D93-L95 PolarHBondContact O-N 3.46Å; D93-L95 WeakPolarHBondContact OD1-CB 3.41Å; D93-L95 PolarHBondContact OD1-N 2.88Å; L95-R98 PolarHBondContact O-N 3.3Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 PolarHBondContact O-N 3.49Å; L95-F155 HydrophobicContact CD1-CD2 4.48Å; L95-F155 HydrophobicContact CD1-CE2 3.6Å; L95-F155 HydrophobicContact CD1-CZ 4.06Å; L95-L162 HydrophobicContact CD2-CB 4.18Å; L95-L162 HydrophobicContact CD2-CD1 3.65Å; L95-L162 HydrophobicContact CD2-CD2 3.31Å; L95-L162 HydrophobicContact CD2-CG 3.87Å
96	I	74.7	Confident	74.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-45.8	178.3	-68.3	-57.5	0	0	0	110	R80 F83 A84 L87 M89 D93 R98 L99 F100	R80-I96 HydrophobicContact CG-CG2 4.07Å; F83-I96 HydrophobicContact CD1-CG2 4.45Å; A84-I96 HydrophobicContact CB-CD1 4.47Å; A84-I96 HydrophobicContact CB-CG1 4.21Å; A84-I96 HydrophobicContact CB-CG2 3.79Å; L87-I96 HydrophobicContact CB-CD1 4.02Å; L87-I96 HydrophobicContact CD1-CD1 3.41Å; L87-I96 VanDerWaalsContact CD1-CD1 3.41Å; L87-I96 HydrophobicContact CG-CD1 4.34Å; M89-I96 HydrophobicContact CB-CD1 3.84Å; M89-I96 HydrophobicContact CB-CG1 3.59Å; M89-I96 HydrophobicContact CE-CD1 4.48Å; M89-I96 HydrophobicContact CE-CG1 4.12Å; M89-I96 HydrophobicContact CG-CD1 4.16Å; M89-I96 HydrophobicContact CG-CG1 4.29Å; M89-I96 HydrophobicContact SD-CD1 3.59Å; M89-I96 VanDerWaalsContact SD-CD1 3.59Å; M89-I96 HydrophobicContact SD-CG1 3.86Å; D93-I96 HydrophobicContact CB-CB 4.38Å; D93-I96 HydrophobicContact CB-CG1 4.14Å; D93-I96 WeakPolarHBondContact O-CA 3.41Å; D93-I96 WeakPolarHBondContact O-CB 3.45Å; D93-I96 PolarHBondContact O-N 2.84Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 2.77Å; I96-L99 PolarHBondContact O-N 3.05Å; I96-F100 WeakPolarHBondContact O-CA 3.27Å; I96-F100 WeakPolarHBondContact O-CB 3.22Å; I96-F100 PolarHBondContact O-N 2.9Å
97	E	80.8	Confident	75.1	Confident	54 Å²	54	51.9 Å²	51.9	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-57.1	-48	177.6	-172.7	-173.9	164.5	0	0	111.6	D93 L94 R101	D93-E97 PolarHBondContact O-N 3.41Å; L94-E97 PolarHBondContact O-N 2.84Å; E97-R101 WeakPolarHBondContact O-CG 3.13Å; E97-R101 PolarHBondContact O-N 2.81Å; E97-R101 IonicContact OE1-CZ 3.29Å; E97-R101 IonicContact OE1-NH1 3.2Å; E97-R101 PolarHBondContact OE1-NH1 3.19Å; E97-R101 IonicContact OE1-NH2 2.69Å; E97-R101 PolarHBondContact OE1-NH2 3.28Å
98	R	78.6	Confident	76	Confident	24 Å²	24	55.5 Å²	55.5	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-44.4	-178.7	-73	177.7	172.4	-170.5	-0.7	112.8	L94 L95 I96 F100 R101 C102 M138 E151	L94-R98 HydrophobicContact CD1-CG 4.45Å; L94-R98 WeakPolarHBondContact O-CB 3.39Å; L94-R98 VanDerWaalsContact O-CG 3.32Å; L94-R98 WeakPolarHBondContact O-CG 3.3Å; L94-R98 PolarHBondContact O-N 3.38Å; L95-R98 PolarHBondContact O-N 3.3Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 2.77Å; R98-F100 VanDerWaalsContact C-N 3.35Å; R98-R101 PolarHBondContact O-N 3.27Å; R98-C102 WeakPolarHBondContact O-CB 3.34Å; R98-C102 PolarHBondContact O-N 3.02Å; R98-M138 HydrophobicContact CB-CB 4.28Å; R98-M138 WeakPolarHBondContact CB-O 2.92Å; R98-M138 VanDerWaalsContact CD-O 3.25Å; R98-M138 WeakPolarHBondContact CD-O 3.38Å; R98-M138 WeakPolarHBondContact CG-O 3.43Å; R98-E151 IonicContact CZ-OE1 3.02Å; R98-E151 IonicContact NE-OE1 2.82Å; R98-E151 PolarHBondContact NH1-O 3.06Å; R98-E151 IonicContact NH2-OE1 2.64Å; R98-E151 PolarHBondContact NH2-OE1 2.91Å
99	L	76.8	Confident	77.5	Confident	27 Å²	27	59.6 Å²	59.6	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-41.6	177.4	-175.8	63.2	0	0	0	110.6	F83 L87 L95 I96 R101 C102 V103 M138	F83-L99 HydrophobicContact CE1-CB 4.16Å; F83-L99 HydrophobicContact CE1-CD2 3.7Å; F83-L99 HydrophobicContact CE1-CG 3.76Å; F83-L99 HydrophobicContact CZ-CD2 3.51Å; F83-L99 HydrophobicContact CZ-CG 3.72Å; L87-L99 HydrophobicContact CD1-CD2 3.79Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 PolarHBondContact O-N 3.49Å; I96-L99 PolarHBondContact O-N 3.05Å; L99-R101 PolarHBondContact O-N 2.95Å; L99-C102 PolarHBondContact O-N 2.98Å; L99-V103 HydrophobicContact CD1-CG2 4.23Å; L99-V103 HydrophobicContact CG-CG2 4.38Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.18Å; L99-M138 HydrophobicContact CB-SD 4.29Å; L99-M138 HydrophobicContact CD1-CE 3.83Å; L99-M138 HydrophobicContact CD1-SD 3.8Å
100	F	84.7	Confident	79	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-46.4	176.3	-169.7	-87.2	0	0	0	111.2	R80 F83 I96 R98 C102 V103 A104 D109 I111	R80-F100 HydrophobicContact CB-CD1 4.48Å; R80-F100 HydrophobicContact CB-CD2 3.93Å; R80-F100 HydrophobicContact CB-CE1 4.35Å; R80-F100 HydrophobicContact CB-CE2 3.81Å; R80-F100 HydrophobicContact CB-CG 4.27Å; R80-F100 HydrophobicContact CB-CZ 4.02Å; R80-F100 HydrophobicContact CG-CB 4.39Å; R80-F100 HydrophobicContact CG-CD1 4.44Å; R80-F100 HydrophobicContact CG-CD2 3.94Å; R80-F100 HydrophobicContact CG-CE2 4.34Å; R80-F100 HydrophobicContact CG-CG 4Å; F83-F100 HydrophobicContact CB-CD2 4.05Å; F83-F100 HydrophobicContact CB-CE2 4.32Å; F83-F100 HydrophobicContact CD1-CB 4.25Å; F83-F100 AromaticContact CD1-CD2 3.84Å; F83-F100 HydrophobicContact CD1-CD2 3.84Å; F83-F100 HydrophobicContact CE1-CB 4.46Å; F83-F100 HydrophobicContact CG-CD2 4.18Å; I96-F100 WeakPolarHBondContact O-CA 3.27Å; I96-F100 WeakPolarHBondContact O-CB 3.22Å; I96-F100 PolarHBondContact O-N 2.9Å; R98-F100 VanDerWaalsContact C-N 3.35Å; F100-C102 VanDerWaalsContact C-N 3.32Å; F100-C102 PolarHBondContact O-N 3.37Å; F100-V103 PolarHBondContact O-N 3.13Å; F100-A104 HydrophobicContact CD1-CB 4.16Å; F100-A104 HydrophobicContact CE1-CB 3.97Å; F100-A104 HydrophobicContact CZ-CB 4.48Å; F100-A104 WeakPolarHBondContact O-CB 3.34Å; F100-A104 PolarHBondContact O-N 3.49Å; F100-D109 WeakPolarHBondContact CZ-O 3.46Å; F100-I111 HydrophobicContact CD2-CD1 3.36Å; F100-I111 HydrophobicContact CD2-CG1 3.94Å; F100-I111 HydrophobicContact CE2-CD1 3.48Å; F100-I111 VanDerWaalsContact CE2-CD1 3.48Å; F100-I111 HydrophobicContact CE2-CG1 3.64Å; F100-I111 HydrophobicContact CG-CD1 4.14Å; F100-I111 HydrophobicContact CZ-CD1 4.34Å; F100-I111 HydrophobicContact CZ-CG1 4.03Å
101	R	82.6	Confident	80.2	Confident	154 Å²	154	60 Å²	60	58%	0.581	30%	0.299	S	S	*	.	H	α-helix	trans	-60.5	-38.6	174	-78	-176.1	179.9	133	9.2	113.1	E97 R98 L99	E97-R101 WeakPolarHBondContact O-CG 3.13Å; E97-R101 PolarHBondContact O-N 2.81Å; E97-R101 IonicContact OE1-CZ 3.29Å; E97-R101 IonicContact OE1-NH1 3.2Å; E97-R101 PolarHBondContact OE1-NH1 3.19Å; E97-R101 IonicContact OE1-NH2 2.69Å; E97-R101 PolarHBondContact OE1-NH2 3.28Å; R98-R101 PolarHBondContact O-N 3.27Å; L99-R101 PolarHBondContact O-N 2.95Å
102	C	79.6	Confident	80.8	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.088	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-35.8	179	-179.7	0	0	0	0	112.5	R98 L99 F100 S137 M138	R98-C102 WeakPolarHBondContact O-CB 3.34Å; R98-C102 PolarHBondContact O-N 3.02Å; L99-C102 PolarHBondContact O-N 2.98Å; F100-C102 VanDerWaalsContact C-N 3.32Å; F100-C102 PolarHBondContact O-N 3.37Å; C102-S137 PolarHBondContact SG-OG 3.38Å; C102-M138 HydrophobicContact CB-CG 3.91Å
103	V	84.1	Confident	81.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-82	-45.4	-179.1	-179.7	0	0	0	0	110.8	L99 F100 R105 I111 D115 F116 V119	L99-V103 HydrophobicContact CD1-CG2 4.23Å; L99-V103 HydrophobicContact CG-CG2 4.38Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.18Å; F100-V103 PolarHBondContact O-N 3.13Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.35Å; V103-I111 HydrophobicContact CB-CD1 3.96Å; V103-I111 HydrophobicContact CB-CG1 4.24Å; V103-I111 HydrophobicContact CG1-CB 4.38Å; V103-I111 HydrophobicContact CG1-CD1 3.83Å; V103-I111 HydrophobicContact CG1-CG1 3.92Å; V103-I111 HydrophobicContact CG1-CG2 3.55Å; V103-D115 VanDerWaalsContact O-CB 3.32Å; V103-D115 WeakPolarHBondContact O-CB 3.4Å; V103-F116 HydrophobicContact CG1-CB 4.35Å; V103-F116 HydrophobicContact CG1-CD2 4.41Å; V103-V119 HydrophobicContact CB-CG2 4.42Å; V103-V119 HydrophobicContact CG1-CG2 4.38Å; V103-V119 HydrophobicContact CG2-CB 4.22Å; V103-V119 HydrophobicContact CG2-CG1 4Å; V103-V119 HydrophobicContact CG2-CG2 4.07Å
104	A	85.9	Confident	82.2	Confident	11 Å²	11	51.5 Å²	51.5	9%	0.091	26%	0.255	C	S	.	.			trans	-75.8	74.5	-173.6	0	0	0	0	0	112.3	F100 H107 I111	F100-A104 HydrophobicContact CD1-CB 4.16Å; F100-A104 HydrophobicContact CE1-CB 3.97Å; F100-A104 HydrophobicContact CZ-CB 4.48Å; F100-A104 WeakPolarHBondContact O-CB 3.34Å; F100-A104 PolarHBondContact O-N 3.49Å; A104-H107 WeakPolarHBondContact CB-O 3.24Å; A104-I111 HydrophobicContact CB-CG1 3.76Å
105	R	82.8	Confident	83	Confident	126 Å²	126	49.1 Å²	49.1	48%	0.475	24%	0.242	S	C	.	.	S	Bend	trans	-82.1	-35.7	-178.1	-66.3	-179.4	-177	157.1	7.8	112.6	V103 D115	V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 3.35Å; R105-D115 PolarHBondContact N-OD2 2.9Å; R105-D115 VanDerWaalsContact N-OD2 3.1Å
106	S	83.3	Confident	83.8	Confident	72 Å²	72	48.9 Å²	48.9	50%	0.503	24%	0.241	S	C	.	.	S	Bend	trans	-82.9	-35.9	-174.1	-60.4	0	0	0	0	112.7	D115	S106-D115 VanDerWaalsContact CB-OD2 3.26Å; S106-D115 WeakPolarHBondContact CB-OD2 3.47Å; S106-D115 PolarHBondContact N-OD2 3.38Å; S106-D115 PolarHBondContact OG-OD1 3.2Å; S106-D115 PolarHBondContact OG-OD2 2.85Å; S106-D115 VanDerWaalsContact OG-OD2 3.12Å
107	H	83.3	Confident	84.2	Confident	89 Å²	89	49.3 Å²	49.3	41%	0.412	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-138.6	135.1	179.7	-66.3	-51.6	0	0	0	110.7	A104 D109 K110	A104-H107 WeakPolarHBondContact CB-O 3.24Å; H107-D109 VanDerWaalsContact C-N 3.29Å; H107-D109 PolarHBondContact O-N 3.31Å; H107-K110 VanDerWaalsContact O-O 3.08Å
108	P	82	Confident	84.3	Confident	102 Å²	102	49.4 Å²	49.4	66%	0.662	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28	-174.2	25	-33.8	0	0	0	114
109	D	86.4	Confident	84.2	Confident	118 Å²	118	48.5 Å²	48.5	63%	0.631	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-5.7	-171.7	-59.6	-37.8	0	0	0	113.9	F100 H107	F100-D109 WeakPolarHBondContact CZ-O 3.46Å; H107-D109 VanDerWaalsContact C-N 3.29Å; H107-D109 PolarHBondContact O-N 3.31Å
110	K	89.6	Confident	84	Confident	97 Å²	97	48.1 Å²	48.1	42%	0.422	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	139.7	-174.1	-67.2	-173.1	-178.2	-179.9	0	111.8	M77 L78 H107	M77-K110 HydrophobicContact CB-CB 4.11Å; M77-K110 HydrophobicContact CB-CD 3.96Å; M77-K110 HydrophobicContact SD-CB 4.34Å; M77-K110 HydrophobicContact SD-CD 3.95Å; L78-K110 CarbonylContact O-C 3.59Å; L78-K110 WeakPolarHBondContact O-CA 3.12Å; H107-K110 VanDerWaalsContact O-O 3.08Å
111	I	89.2	Confident	83.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.5	174.3	-66.2	165.4	0	0	0	109.1	M77 L78 F83 F100 V103 A104 D115 F116	M77-I111 CarbonylContact C-O 3.59Å; M77-I111 WeakPolarHBondContact CA-O 3.37Å; L78-I111 HydrophobicContact CB-CB 4.24Å; L78-I111 PolarHBondContact N-O 3.16Å; L78-I111 PolarHBondContact O-N 3.35Å; F83-I111 HydrophobicContact CB-CD1 4.45Å; F83-I111 HydrophobicContact CD1-CD1 4.2Å; F83-I111 HydrophobicContact CD2-CD1 4.04Å; F83-I111 HydrophobicContact CE1-CD1 4.44Å; F83-I111 HydrophobicContact CE2-CD1 4.29Å; F83-I111 HydrophobicContact CG-CD1 3.97Å; F83-I111 HydrophobicContact CZ-CD1 4.47Å; F100-I111 HydrophobicContact CD2-CD1 3.36Å; F100-I111 HydrophobicContact CD2-CG1 3.94Å; F100-I111 HydrophobicContact CE2-CD1 3.48Å; F100-I111 VanDerWaalsContact CE2-CD1 3.48Å; F100-I111 HydrophobicContact CE2-CG1 3.64Å; F100-I111 HydrophobicContact CG-CD1 4.14Å; F100-I111 HydrophobicContact CZ-CD1 4.34Å; F100-I111 HydrophobicContact CZ-CG1 4.03Å; V103-I111 HydrophobicContact CB-CD1 3.96Å; V103-I111 HydrophobicContact CB-CG1 4.24Å; V103-I111 HydrophobicContact CG1-CB 4.38Å; V103-I111 HydrophobicContact CG1-CD1 3.83Å; V103-I111 HydrophobicContact CG1-CG1 3.92Å; V103-I111 HydrophobicContact CG1-CG2 3.55Å; A104-I111 HydrophobicContact CB-CG1 3.76Å; I111-D115 HydrophobicContact CG2-CB 4.42Å; I111-F116 HydrophobicContact CG2-CB 3.71Å
112	C	89.5	Confident	82.6	Confident	21 Å²	21	47.2 Å²	47.2	14%	0.142	24%	0.244	C	C	.	.			trans	-84.9	162.4	171.4	77.2	0	0	0	0	111.2	Q114 D115 F116	C112-Q114 VanDerWaalsContact C-N 3.28Å; C112-Q114 PolarHBondContact O-N 3.44Å; C112-D115 PolarHBondContact O-N 3.04Å; C112-D115 WeakPolarHBondContact SG-CB 3.32Å; C112-D115 PolarHBondContact SG-N 3.41Å; C112-D115 PolarHBondContact SG-OD2 3.4Å; C112-F116 PolarHBondContact O-N 3.48Å; C112-F116 VanDerWaalsContact O-N 3.14Å
113	F	86.8	Confident	81.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-41.3	-180	-177.4	-91.1	0	0	0	112.8	F45 E48 A49 K52 I73 L74 L117	F45-F113 HydrophobicContact CD2-CB 4.24Å; F45-F113 AromaticContact CD2-CD2 3.59Å; F45-F113 HydrophobicContact CD2-CD2 3.59Å; F45-F113 HydrophobicContact CD2-CG 4.41Å; F45-F113 VanDerWaalsContact CE2-CA 3.41Å; F45-F113 HydrophobicContact CE2-CB 3.56Å; F45-F113 AromaticContact CE2-CD2 3.58Å; F45-F113 HydrophobicContact CE2-CD2 3.58Å; F45-F113 HydrophobicContact CE2-CG 4.04Å; F45-F113 HydrophobicContact CG-CD2 4.16Å; F45-F113 HydrophobicContact CZ-CB 4.22Å; F45-F113 HydrophobicContact CZ-CD2 4.11Å; F45-F113 WeakPolarHBondContact O-CE2 3.37Å; E48-F113 HydrophobicContact CB-CE2 3.97Å; E48-F113 HydrophobicContact CB-CZ 4.04Å; A49-F113 HydrophobicContact CB-CE2 3.83Å; A49-F113 HydrophobicContact CB-CZ 4.09Å; K52-F113 HydrophobicContact CD-CE1 4.15Å; K52-F113 HydrophobicContact CD-CZ 4.18Å; I73-F113 HydrophobicContact CG2-CD2 4.21Å; I73-F113 HydrophobicContact CG2-CE2 4.18Å; L74-F113 HydrophobicContact CD2-CD1 3.57Å; L74-F113 HydrophobicContact CD2-CE1 3.96Å; L74-F113 HydrophobicContact CD2-CG 4.14Å; F113-L117 HydrophobicContact CE1-CB 4.45Å; F113-L117 HydrophobicContact CE1-CD2 3.91Å; F113-L117 VanDerWaalsContact O-CB 3.26Å; F113-L117 WeakPolarHBondContact O-CB 3.38Å; F113-L117 PolarHBondContact O-N 3.01Å
114	Q	86	Confident	80.6	Confident	95 Å²	95	49.8 Å²	49.8	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-69.8	-44.4	-177.1	-167.1	62.2	35.7	0	0	112	C112 F116 L117 D118	C112-Q114 VanDerWaalsContact C-N 3.28Å; C112-Q114 PolarHBondContact O-N 3.44Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 2.87Å; Q114-L117 PolarHBondContact O-N 3Å; Q114-D118 PolarHBondContact NE2-OD1 3.23Å; Q114-D118 WeakPolarHBondContact O-CB 3.44Å; Q114-D118 VanDerWaalsContact O-CG 3.25Å; Q114-D118 PolarHBondContact O-N 3.42Å
115	D	88.3	Confident	79.6	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-46.5	175.4	-81.1	-1	0	0	0	111.3	V103 R105 S106 I111 C112 V119	V103-D115 VanDerWaalsContact O-CB 3.32Å; V103-D115 WeakPolarHBondContact O-CB 3.4Å; R105-D115 PolarHBondContact N-OD2 2.9Å; R105-D115 VanDerWaalsContact N-OD2 3.1Å; S106-D115 VanDerWaalsContact CB-OD2 3.26Å; S106-D115 WeakPolarHBondContact CB-OD2 3.47Å; S106-D115 PolarHBondContact N-OD2 3.38Å; S106-D115 PolarHBondContact OG-OD1 3.2Å; S106-D115 PolarHBondContact OG-OD2 2.85Å; S106-D115 VanDerWaalsContact OG-OD2 3.12Å; I111-D115 HydrophobicContact CG2-CB 4.42Å; C112-D115 PolarHBondContact O-N 3.04Å; C112-D115 WeakPolarHBondContact SG-CB 3.32Å; C112-D115 PolarHBondContact SG-N 3.41Å; C112-D115 PolarHBondContact SG-OD2 3.4Å; D115-V119 WeakPolarHBondContact O-CG2 3.19Å; D115-V119 PolarHBondContact O-N 2.69Å
116	F	85.2	Confident	78.7	Confident	8 Å²	8	47 Å²	47	4%	0.035	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-49.1	176.3	-178.6	-104.7	0	0	0	111.9	F45 F46 A49 F83 V103 I111 C112 Q114 D118 V119 V120 L695	F45-F116 HydrophobicContact CE1-CB 4.26Å; F45-F116 AromaticContact CE1-CD1 3.73Å; F45-F116 HydrophobicContact CE1-CD1 3.73Å; F45-F116 HydrophobicContact CE1-CE1 4.3Å; F45-F116 HydrophobicContact CE1-CG 4Å; F45-F116 HydrophobicContact CZ-CB 4.05Å; F45-F116 HydrophobicContact CZ-CD1 4.26Å; F45-F116 HydrophobicContact CZ-CG 4.3Å; F46-F116 AromaticContact CD1-CE1 3.77Å; F46-F116 HydrophobicContact CD1-CE1 3.77Å; F46-F116 HydrophobicContact CD1-CE2 4.46Å; F46-F116 AromaticContact CD1-CZ 3.74Å; F46-F116 HydrophobicContact CD1-CZ 3.74Å; F46-F116 HydrophobicContact CE1-CE1 4.24Å; F46-F116 HydrophobicContact CE1-CE2 4.25Å; F46-F116 AromaticContact CE1-CZ 3.99Å; F46-F116 HydrophobicContact CE1-CZ 3.99Å; A49-F116 HydrophobicContact CB-CD1 3.59Å; A49-F116 HydrophobicContact CB-CE1 3.59Å; F83-F116 HydrophobicContact CE2-CD2 4.42Å; F83-F116 HydrophobicContact CE2-CE2 4.15Å; V103-F116 HydrophobicContact CG1-CB 4.35Å; V103-F116 HydrophobicContact CG1-CD2 4.41Å; I111-F116 HydrophobicContact CG2-CB 3.71Å; C112-F116 PolarHBondContact O-N 3.48Å; C112-F116 VanDerWaalsContact O-N 3.14Å; Q114-F116 VanDerWaalsContact C-N 3.31Å; Q114-F116 PolarHBondContact O-N 2.87Å; F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 PolarHBondContact O-N 2.64Å; F116-V119 PolarHBondContact O-N 3.05Å; F116-V120 HydrophobicContact CD1-CG2 4.13Å; F116-V120 HydrophobicContact CD2-CG2 4.34Å; F116-V120 HydrophobicContact CE1-CG2 3.66Å; F116-V120 HydrophobicContact CE2-CG2 3.89Å; F116-V120 HydrophobicContact CG-CG2 4.44Å; F116-V120 HydrophobicContact CZ-CG2 3.51Å; F116-V120 WeakPolarHBondContact O-CG2 3.23Å; F116-V120 PolarHBondContact O-N 3.43Å; F116-L695 HydrophobicContact CE2-CD2 3.55Å; F116-L695 HydrophobicContact CZ-CD2 3.37Å; F116-L695 HydrophobicContact CZ-CG 4.45Å
117	L	83	Confident	78	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-43.9	-179.3	177.4	61.4	0	0	0	111.8	A49 K52 A53 F113 Q114 V119 V120 I121	A49-L117 WeakPolarHBondContact O-CD1 3.32Å; K52-L117 HydrophobicContact CB-CD1 3.83Å; K52-L117 HydrophobicContact CB-CD2 4.27Å; K52-L117 HydrophobicContact CD-CD2 3.96Å; A53-L117 HydrophobicContact CB-CD1 4Å; F113-L117 HydrophobicContact CE1-CB 4.45Å; F113-L117 HydrophobicContact CE1-CD2 3.91Å; F113-L117 VanDerWaalsContact O-CB 3.26Å; F113-L117 WeakPolarHBondContact O-CB 3.38Å; F113-L117 PolarHBondContact O-N 3.01Å; Q114-L117 PolarHBondContact O-N 3Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.41Å; L117-V120 PolarHBondContact O-N 3.39Å; L117-I121 HydrophobicContact CD1-CD1 3.79Å; L117-I121 HydrophobicContact CD1-CG1 4.01Å; L117-I121 HydrophobicContact CD2-CD1 4.36Å; L117-I121 HydrophobicContact CG-CD1 3.7Å; L117-I121 HydrophobicContact CG-CG1 4.33Å; L117-I121 WeakPolarHBondContact O-CB 3.25Å; L117-I121 VanDerWaalsContact O-CG1 3.28Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.82Å
118	D	82.9	Confident	77.1	Confident	55 Å²	55	43.7 Å²	43.7	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-41.8	-179.8	-73.5	-6.4	0	0	0	111.7	Q114 F116 K122	Q114-D118 PolarHBondContact NE2-OD1 3.23Å; Q114-D118 WeakPolarHBondContact O-CB 3.44Å; Q114-D118 VanDerWaalsContact O-CG 3.25Å; Q114-D118 PolarHBondContact O-N 3.42Å; F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 PolarHBondContact O-N 2.64Å; D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 2.82Å
119	V	76.2	Confident	76.6	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-43.3	176.6	174.4	0	0	0	0	110.9	V103 D115 F116 L117 I121 K122 F123	V103-V119 HydrophobicContact CB-CG2 4.42Å; V103-V119 HydrophobicContact CG1-CG2 4.38Å; V103-V119 HydrophobicContact CG2-CB 4.22Å; V103-V119 HydrophobicContact CG2-CG1 4Å; V103-V119 HydrophobicContact CG2-CG2 4.07Å; D115-V119 WeakPolarHBondContact O-CG2 3.19Å; D115-V119 PolarHBondContact O-N 2.69Å; F116-V119 PolarHBondContact O-N 3.05Å; L117-V119 VanDerWaalsContact C-N 3.34Å; L117-V119 PolarHBondContact O-N 3.41Å; V119-I121 PolarHBondContact O-N 3.07Å; V119-K122 PolarHBondContact O-N 3.42Å; V119-F123 HydrophobicContact CG1-CD2 3.64Å; V119-F123 HydrophobicContact CG1-CE2 3.77Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 3.48Å
120	V	71.8	Confident	75.7	Confident	18 Å²	18	43 Å²	43	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-41.5	177.2	177.6	0	0	0	0	111.4	Y50 A53 F54 F116 L117 F123 A124	Y50-V120 HydrophobicContact CD1-CG1 3.84Å; Y50-V120 HydrophobicContact CE1-CG1 3.88Å; Y50-V120 HydrophobicContact CE1-CG2 4.33Å; A53-V120 HydrophobicContact CB-CB 4.26Å; A53-V120 HydrophobicContact CB-CG1 3.55Å; F54-V120 HydrophobicContact CE2-CG1 4.29Å; F116-V120 HydrophobicContact CD1-CG2 4.13Å; F116-V120 HydrophobicContact CD2-CG2 4.34Å; F116-V120 HydrophobicContact CE1-CG2 3.66Å; F116-V120 HydrophobicContact CE2-CG2 3.89Å; F116-V120 HydrophobicContact CG-CG2 4.44Å; F116-V120 HydrophobicContact CZ-CG2 3.51Å; F116-V120 WeakPolarHBondContact O-CG2 3.23Å; F116-V120 PolarHBondContact O-N 3.43Å; L117-V120 PolarHBondContact O-N 3.39Å; V120-F123 PolarHBondContact O-N 2.96Å; V120-A124 WeakPolarHBondContact O-CB 3.19Å; V120-A124 PolarHBondContact O-N 3.02Å
121	I	71	Confident	74.5	Confident	61 Å²	61	39.7 Å²	39.7	31%	0.313	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-45.9	174.9	-73.6	169.5	0	0	0	110.5	A53 L117 V119 F123 A124 N125	A53-I121 HydrophobicContact CB-CG1 3.76Å; L117-I121 HydrophobicContact CD1-CD1 3.79Å; L117-I121 HydrophobicContact CD1-CG1 4.01Å; L117-I121 HydrophobicContact CD2-CD1 4.36Å; L117-I121 HydrophobicContact CG-CD1 3.7Å; L117-I121 HydrophobicContact CG-CG1 4.33Å; L117-I121 WeakPolarHBondContact O-CB 3.25Å; L117-I121 VanDerWaalsContact O-CG1 3.28Å; L117-I121 WeakPolarHBondContact O-CG1 3.37Å; L117-I121 PolarHBondContact O-N 2.82Å; V119-I121 PolarHBondContact O-N 3.07Å; I121-F123 PolarHBondContact O-N 3.4Å; I121-A124 PolarHBondContact O-N 2.98Å; I121-N125 WeakPolarHBondContact O-CA 3.13Å; I121-N125 WeakPolarHBondContact O-CB 3.43Å; I121-N125 PolarHBondContact O-N 2.89Å
122	K	68.9	Low	73.6	Confident	75 Å²	75	40 Å²	40	33%	0.326	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-39.5	177.1	-73.7	-175.8	178.1	-161.2	0	112.2	D118 V119 G126 I134	D118-K122 WeakPolarHBondContact O-CG 3.48Å; D118-K122 PolarHBondContact O-N 2.82Å; V119-K122 PolarHBondContact O-N 3.42Å; K122-G126 WeakPolarHBondContact O-CA 3.45Å; K122-G126 PolarHBondContact O-N 2.8Å; K122-I134 HydrophobicContact CB-CD1 3.54Å; K122-I134 HydrophobicContact CD-CD1 4.12Å; K122-I134 HydrophobicContact CG-CD1 4.49Å
123	F	63.7	Low	72.8	Confident	55 Å²	55	42.1 Å²	42.1	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-39.6	174.4	-93.4	-71.3	0	0	0	113	V119 V120 I121 K131 I134 M138	V119-F123 HydrophobicContact CG1-CD2 3.64Å; V119-F123 HydrophobicContact CG1-CE2 3.77Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 3.48Å; V120-F123 PolarHBondContact O-N 2.96Å; I121-F123 PolarHBondContact O-N 3.4Å; F123-K131 WeakPolarHBondContact O-CE 3.03Å; F123-K131 PolarHBondContact O-NZ 3.49Å; F123-I134 HydrophobicContact CD2-CD1 4.17Å; F123-I134 HydrophobicContact CD2-CG2 4.45Å; F123-I134 HydrophobicContact CE2-CB 4.37Å; F123-I134 HydrophobicContact CE2-CD1 4.18Å; F123-I134 HydrophobicContact CE2-CG2 3.45Å; F123-I134 VanDerWaalsContact CE2-CG2 3.45Å; F123-I134 HydrophobicContact CZ-CB 4.29Å; F123-I134 HydrophobicContact CZ-CG2 3.54Å; F123-M138 HydrophobicContact CE2-CE 4.29Å; F123-M138 HydrophobicContact CZ-CE 3.76Å
124	A	57.6	Low	72	Confident	15 Å²	15	42.3 Å²	42.3	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-74	-49.3	-178.5	0	0	0	0	0	112.5	F54 V120 I121	F54-A124 HydrophobicContact CD1-CB 3.85Å; F54-A124 HydrophobicContact CE1-CB 3.31Å; F54-A124 HydrophobicContact CZ-CB 3.85Å; V120-A124 WeakPolarHBondContact O-CB 3.19Å; V120-A124 PolarHBondContact O-N 3.02Å; I121-A124 PolarHBondContact O-N 2.98Å
125	N	64.3	Low	71.2	Confident	68 Å²	68	38.4 Å²	38.4	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-115.1	-12.3	-165.3	-58.2	-24.8	0	0	0	113.5	A53 I121 R706	A53-N125 PolarHBondContact O-ND2 3.06Å; A53-N125 VanDerWaalsContact O-ND2 3.13Å; I121-N125 WeakPolarHBondContact O-CA 3.13Å; I121-N125 WeakPolarHBondContact O-CB 3.43Å; I121-N125 PolarHBondContact O-N 2.89Å; N125-R706 PolarHBondContact OD1-NE 3.47Å; N125-R706 VanDerWaalsContact OD1-NE 3.1Å; N125-R706 PolarHBondContact OD1-NH1 2.8Å; N125-R706 PolarHBondContact OD1-NH2 3.48Å
126	G	63.1	Low	70.5	Confident	11 Å²	11	38.2 Å²	38.2	11%	0.113	19%	0.192	C	C	.	.			trans	-66.4	151.6	-179.1	0	0	0	0	0	112.8	K122 E130 K131	K122-G126 WeakPolarHBondContact O-CA 3.45Å; K122-G126 PolarHBondContact O-N 2.8Å; G126-E130 WeakPolarHBondContact CA-OE2 3.44Å; G126-K131 WeakPolarHBondContact O-CE 3.37Å
127	S	70.1	Confident	69.9	Low	60 Å²	60	40 Å²	40	42%	0.42	21%	0.206	S	C	.	.			trans	-56.5	158.9	166.3	64.4	0	0	0	0	111	R129 E130 K131	S127-R129 PolarHBondContact O-N 2.82Å; S127-E130 WeakPolarHBondContact CB-OE2 3.46Å; S127-E130 PolarHBondContact N-OE2 2.75Å; S127-E130 PolarHBondContact O-N 3.1Å; S127-E130 VanDerWaalsContact O-N 3.1Å; S127-E130 WeakPolarHBondContact OG-CG 3.48Å; S127-E130 PolarHBondContact OG-N 3.01Å; S127-E130 PolarHBondContact OG-OE2 2.75Å; S127-K131 WeakPolarHBondContact O-CG 3.35Å; S127-K131 PolarHBondContact O-N 2.89Å; S127-K131 VanDerWaalsContact O-N 3.1Å
128	T	63.4	Low	69.3	Low	31 Å²	31	40 Å²	40	19%	0.19	21%	0.206	C	C	.	.	H	α-helix	trans	-54.3	-39.3	175.8	-55.7	0	0	0	0	111.6	K131 L132 H201 K212	T128-K131 PolarHBondContact O-N 3.21Å; T128-L132 HydrophobicContact CG2-CD1 3.92Å; T128-L132 HydrophobicContact CG2-CG 4.33Å; T128-L132 WeakPolarHBondContact O-CB 3.03Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.09Å; T128-L132 PolarHBondContact O-N 3.28Å; T128-H201 VanDerWaalsContact CG2-CD2 3.44Å; T128-H201 WeakPolarHBondContact CG2-CD2 3.5Å; T128-H201 WeakPolarHBondContact CG2-NE2 3.33Å; T128-K212 HydrophobicContact CG2-CD 4.25Å; T128-K212 VanDerWaalsContact OG1-CD 3.3Å; T128-K212 WeakPolarHBondContact OG1-CD 3.31Å; T128-K212 WeakPolarHBondContact OG1-CE 3.45Å; T128-K212 PolarHBondContact OG1-NZ 3.42Å; T128-K212 VanDerWaalsContact OG1-NZ 3.14Å
129	R	72.1	Confident	68.6	Low	131 Å²	131	37.4 Å²	37.4	49%	0.494	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-47.9	175.9	-177.8	167.5	178.8	142.3	-3.2	112.4	S127 K131 L132 E133 L194 E198	S127-R129 PolarHBondContact O-N 2.82Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 2.91Å; R129-L132 CarbonylContact O-C 3.6Å; R129-L132 PolarHBondContact O-N 3.49Å; R129-E133 HydrophobicContact CG-CG 4.46Å; R129-E133 IonicContact NE-OE1 3.28Å; R129-E133 WeakPolarHBondContact O-CB 3.24Å; R129-E133 WeakPolarHBondContact O-CG 3.21Å; R129-E133 PolarHBondContact O-N 2.83Å; R129-L194 HydrophobicContact CG-CD2 4.48Å; R129-E198 WeakPolarHBondContact CD-OE1 3.45Å; R129-E198 VanDerWaalsContact CG-OE1 3.29Å; R129-E198 WeakPolarHBondContact CG-OE1 3.34Å
130	E	67.3	Low	68.1	Low	73 Å²	73	38.2 Å²	38.2	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-35.9	177.2	-73.1	167.2	121	0	0	112.8	G126 S127 E133 I134	G126-E130 WeakPolarHBondContact CA-OE2 3.44Å; S127-E130 WeakPolarHBondContact CB-OE2 3.46Å; S127-E130 PolarHBondContact N-OE2 2.75Å; S127-E130 PolarHBondContact O-N 3.1Å; S127-E130 VanDerWaalsContact O-N 3.1Å; S127-E130 WeakPolarHBondContact OG-CG 3.48Å; S127-E130 PolarHBondContact OG-N 3.01Å; S127-E130 PolarHBondContact OG-OE2 2.75Å; E130-E133 PolarHBondContact O-N 2.87Å; E130-I134 WeakPolarHBondContact O-CG1 3.37Å; E130-I134 PolarHBondContact O-N 3.49Å; E130-I134 VanDerWaalsContact O-N 3.15Å
131	K	65	Low	67.7	Low	29 Å²	29	43.7 Å²	43.7	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-42.1	175.7	-61.5	-176.6	-165.1	-154	0	111.6	F123 G126 S127 T128 R129 E133 I134 L135	F123-K131 WeakPolarHBondContact O-CE 3.03Å; F123-K131 PolarHBondContact O-NZ 3.49Å; G126-K131 WeakPolarHBondContact O-CE 3.37Å; S127-K131 WeakPolarHBondContact O-CG 3.35Å; S127-K131 PolarHBondContact O-N 2.89Å; S127-K131 VanDerWaalsContact O-N 3.1Å; T128-K131 PolarHBondContact O-N 3.21Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 2.91Å; K131-E133 VanDerWaalsContact C-N 3.35Å; K131-I134 PolarHBondContact O-N 2.93Å; K131-L135 PolarHBondContact O-N 3.32Å; K131-L135 VanDerWaalsContact O-N 3.1Å
132	L	68.6	Low	67.4	Low	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-36.9	175.7	-69	172.6	0	0	0	111.4	T128 R129 I134 L135 F136 L194 L197 E198 H201	T128-L132 HydrophobicContact CG2-CD1 3.92Å; T128-L132 HydrophobicContact CG2-CG 4.33Å; T128-L132 WeakPolarHBondContact O-CB 3.03Å; T128-L132 VanDerWaalsContact O-CG 3.25Å; T128-L132 WeakPolarHBondContact O-CG 3.09Å; T128-L132 PolarHBondContact O-N 3.28Å; R129-L132 CarbonylContact O-C 3.6Å; R129-L132 PolarHBondContact O-N 3.49Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 PolarHBondContact O-N 3.02Å; L132-L135 HydrophobicContact CD2-CD1 4.19Å; L132-L135 PolarHBondContact O-N 2.8Å; L132-F136 WeakPolarHBondContact O-CB 3.44Å; L132-F136 PolarHBondContact O-N 3.49Å; L132-L194 HydrophobicContact CB-CD1 4.35Å; L132-L197 HydrophobicContact CB-CD2 3.64Å; L132-L197 HydrophobicContact CD1-CD2 4.38Å; L132-L197 HydrophobicContact CD2-CD2 3.38Å; L132-L197 HydrophobicContact CG-CD2 3.94Å; L132-E198 HydrophobicContact CD1-CB 4.31Å; L132-E198 HydrophobicContact CD1-CG 3.62Å; L132-H201 HydrophobicContact CD1-CB 3.92Å; L132-H201 HydrophobicContact CD2-CB 3.82Å
133	E	74.5	Confident	67	Low	66 Å²	66	45.2 Å²	45.2	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-37.2	173.6	-78.6	175.5	-172.4	0	0	112.3	R129 E130 K131 F136 S137 L194	R129-E133 HydrophobicContact CG-CG 4.46Å; R129-E133 IonicContact NE-OE1 3.28Å; R129-E133 WeakPolarHBondContact O-CB 3.24Å; R129-E133 WeakPolarHBondContact O-CG 3.21Å; R129-E133 PolarHBondContact O-N 2.83Å; E130-E133 PolarHBondContact O-N 2.87Å; K131-E133 VanDerWaalsContact C-N 3.35Å; E133-F136 PolarHBondContact O-N 3.24Å; E133-S137 WeakPolarHBondContact O-CB 2.93Å; E133-S137 PolarHBondContact O-N 3.38Å; E133-S137 PolarHBondContact O-OG 2.9Å; E133-L194 HydrophobicContact CG-CD1 3.94Å; E133-L194 HydrophobicContact CG-CD2 3.65Å; E133-L194 HydrophobicContact CG-CG 4.47Å
134	I	69.9	Low	67	Low	6 Å²	6	49.3 Å²	49.3	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-48.4	174.3	-68.9	165.3	0	0	0	110.5	K122 F123 E130 K131 L132 F136 S137 M138	K122-I134 HydrophobicContact CB-CD1 3.54Å; K122-I134 HydrophobicContact CD-CD1 4.12Å; K122-I134 HydrophobicContact CG-CD1 4.49Å; F123-I134 HydrophobicContact CD2-CD1 4.17Å; F123-I134 HydrophobicContact CD2-CG2 4.45Å; F123-I134 HydrophobicContact CE2-CB 4.37Å; F123-I134 HydrophobicContact CE2-CD1 4.18Å; F123-I134 HydrophobicContact CE2-CG2 3.45Å; F123-I134 VanDerWaalsContact CE2-CG2 3.45Å; F123-I134 HydrophobicContact CZ-CB 4.29Å; F123-I134 HydrophobicContact CZ-CG2 3.54Å; E130-I134 WeakPolarHBondContact O-CG1 3.37Å; E130-I134 PolarHBondContact O-N 3.49Å; E130-I134 VanDerWaalsContact O-N 3.15Å; K131-I134 PolarHBondContact O-N 2.93Å; L132-I134 VanDerWaalsContact C-N 3.29Å; L132-I134 PolarHBondContact O-N 3.02Å; I134-F136 VanDerWaalsContact C-N 3.28Å; I134-F136 PolarHBondContact O-N 3.31Å; I134-S137 WeakPolarHBondContact CA-OG 2.88Å; I134-S137 PolarHBondContact O-N 3.28Å; I134-S137 VanDerWaalsContact O-N 3.1Å; I134-S137 PolarHBondContact O-OG 3.04Å; I134-M138 HydrophobicContact CG2-CE 3.57Å; I134-M138 PolarHBondContact O-N 3.06Å
135	L	67.9	Low	67.5	Low	13 Å²	13	50.2 Å²	50.2	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-42.5	175	-69.2	166.3	0	0	0	111.6	K131 L132 S137 M138 C139 F155 F211	K131-L135 PolarHBondContact O-N 3.32Å; K131-L135 VanDerWaalsContact O-N 3.1Å; L132-L135 HydrophobicContact CD2-CD1 4.19Å; L132-L135 PolarHBondContact O-N 2.8Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.95Å; L135-M138 HydrophobicContact CD2-CE 4Å; L135-M138 WeakPolarHBondContact O-CB 3.17Å; L135-M138 PolarHBondContact O-N 3.42Å; L135-M138 VanDerWaalsContact O-N 3.16Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 2.9Å; L135-F155 HydrophobicContact CD2-CE1 3.89Å; L135-F155 HydrophobicContact CD2-CZ 3.99Å; L135-F211 HydrophobicContact CD1-CD1 4Å; L135-F211 HydrophobicContact CD1-CD2 4.28Å; L135-F211 HydrophobicContact CD1-CE1 3.82Å; L135-F211 HydrophobicContact CD1-CE2 4.11Å; L135-F211 HydrophobicContact CD1-CG 4.23Å; L135-F211 HydrophobicContact CD1-CZ 3.87Å; L135-F211 HydrophobicContact CD2-CE1 4.1Å; L135-F211 HydrophobicContact CD2-CZ 4.29Å
136	F	73.8	Confident	68.1	Low	5 Å²	5	49.5 Å²	49.5	2%	0.022	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-34.5	176.8	-163.3	-98	0	0	0	111.8	L132 E133 I134 M138 C139 R141 G145 V147 L192 L194 L197	L132-F136 WeakPolarHBondContact O-CB 3.44Å; L132-F136 PolarHBondContact O-N 3.49Å; E133-F136 PolarHBondContact O-N 3.24Å; I134-F136 VanDerWaalsContact C-N 3.28Å; I134-F136 PolarHBondContact O-N 3.31Å; F136-M138 VanDerWaalsContact C-N 3.35Å; F136-C139 PolarHBondContact O-N 3.21Å; F136-R141 HydrophobicContact CD1-CG 4.41Å; F136-R141 HydrophobicContact CE1-CG 4.37Å; F136-G145 WeakPolarHBondContact CE1-O 3.13Å; F136-V147 HydrophobicContact CD1-CG2 3.88Å; F136-V147 HydrophobicContact CD2-CB 4.36Å; F136-V147 HydrophobicContact CD2-CG2 3.79Å; F136-V147 HydrophobicContact CE1-CB 4.5Å; F136-V147 HydrophobicContact CE1-CG2 3.59Å; F136-V147 HydrophobicContact CE2-CB 3.76Å; F136-V147 HydrophobicContact CE2-CG2 3.5Å; F136-V147 HydrophobicContact CG-CG2 3.97Å; F136-V147 HydrophobicContact CZ-CB 3.84Å; F136-V147 HydrophobicContact CZ-CG2 3.4Å; F136-L192 WeakPolarHBondContact CE2-O 3.23Å; F136-L192 VanDerWaalsContact CZ-O 3.31Å; F136-L192 WeakPolarHBondContact CZ-O 3.07Å; F136-L194 HydrophobicContact CB-CD1 4.16Å; F136-L194 HydrophobicContact CG-CD1 4.28Å; F136-L197 HydrophobicContact CD2-CD1 4.2Å
137	S	72.6	Confident	68.7	Low	45 Å²	45	49 Å²	49	32%	0.315	27%	0.274	S	S	.	.	H	α-helix	trans	-72.1	-25.1	173.8	70.2	0	0	0	0	113.9	C102 E133 I134 L135 C139	C102-S137 PolarHBondContact SG-OG 3.38Å; E133-S137 WeakPolarHBondContact O-CB 2.93Å; E133-S137 PolarHBondContact O-N 3.38Å; E133-S137 PolarHBondContact O-OG 2.9Å; I134-S137 WeakPolarHBondContact CA-OG 2.88Å; I134-S137 PolarHBondContact O-N 3.28Å; I134-S137 VanDerWaalsContact O-N 3.1Å; I134-S137 PolarHBondContact O-OG 3.04Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 2.95Å; S137-C139 VanDerWaalsContact C-N 3.33Å
138	M	70.3	Confident	69.2	Low	11 Å²	11	50 Å²	50	5%	0.054	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-28	173.8	-70.6	-173	-124.6	0	0	112.6	R98 L99 C102 F123 I134 L135 F136 G140 F155	R98-M138 HydrophobicContact CB-CB 4.28Å; R98-M138 WeakPolarHBondContact CB-O 2.92Å; R98-M138 VanDerWaalsContact CD-O 3.25Å; R98-M138 WeakPolarHBondContact CD-O 3.38Å; R98-M138 WeakPolarHBondContact CG-O 3.43Å; L99-M138 HydrophobicContact CB-SD 4.29Å; L99-M138 HydrophobicContact CD1-CE 3.83Å; L99-M138 HydrophobicContact CD1-SD 3.8Å; C102-M138 HydrophobicContact CB-CG 3.91Å; F123-M138 HydrophobicContact CE2-CE 4.29Å; F123-M138 HydrophobicContact CZ-CE 3.76Å; I134-M138 HydrophobicContact CG2-CE 3.57Å; I134-M138 PolarHBondContact O-N 3.06Å; L135-M138 HydrophobicContact CD2-CE 4Å; L135-M138 WeakPolarHBondContact O-CB 3.17Å; L135-M138 PolarHBondContact O-N 3.42Å; L135-M138 VanDerWaalsContact O-N 3.16Å; F136-M138 VanDerWaalsContact C-N 3.35Å; M138-G140 PolarHBondContact O-N 2.82Å; M138-F155 HydrophobicContact CB-CE2 3.91Å; M138-F155 HydrophobicContact CB-CZ 4.2Å; M138-F155 HydrophobicContact SD-CE2 3.92Å; M138-F155 HydrophobicContact SD-CZ 3.83Å
139	C	69.1	Low	70	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	16.6	-173.1	-61.6	0	0	0	0	114.6	L135 F136 S137 V147 E151 F152 F155	L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 2.9Å; F136-C139 PolarHBondContact O-N 3.21Å; S137-C139 VanDerWaalsContact C-N 3.33Å; C139-V147 HydrophobicContact CB-CG1 3.55Å; C139-V147 HydrophobicContact CB-CG2 4.14Å; C139-E151 WeakPolarHBondContact O-CG 3.44Å; C139-F152 HydrophobicContact CB-CD2 4.43Å; C139-F155 WeakPolarHBondContact SG-CD1 3.45Å; C139-F155 WeakPolarHBondContact SG-CG 3.2Å
140	G	65.7	Low	70.3	Confident	24 Å²	24	46.1 Å²	46.1	25%	0.247	27%	0.267	C	S	.	.			trans	71.6	109	-179.9	0	0	0	0	0	112.4	M138	M138-G140 PolarHBondContact O-N 2.82Å
141	R	63.5	Low	70.9	Confident	132 Å²	132	45 Å²	45	50%	0.498	26%	0.262	S	S	.	.			trans	-89.6	124.7	171.8	-66.5	-176.9	-172.5	-173.5	0.8	108.9	F136	F136-R141 HydrophobicContact CD1-CG 4.41Å; F136-R141 HydrophobicContact CE1-CG 4.37Å
142	N	63.5	Low	71.5	Confident	59 Å²	59	44 Å²	44	32%	0.316	26%	0.258	S	S	.	.			trans	-64.4	163.8	163.5	-71.6	-5.3	0	0	0	109.3	N144 G145 L146 E148 F191	N142-N144 PolarHBondContact O-N 2.95Å; N142-G145 PolarHBondContact O-N 3.11Å; N142-L146 PolarHBondContact N-O 3.32Å; N142-E148 PolarHBondContact ND2-OE1 3.23Å; N142-F191 WeakPolarHBondContact ND2-CE1 3.44Å
143	A	62	Low	71.9	Confident	109 Å²	109	44.2 Å²	44.2	90%	0.901	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-22.5	-177.5	0	0	0	0	0	114.3
144	N	62.8	Low	72.1	Confident	141 Å²	141	44.9 Å²	44.9	75%	0.754	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.7	179.9	-57.9	-4.1	0	0	0	113.8	N142 L146	N142-N144 PolarHBondContact O-N 2.95Å; N144-L146 HydrophobicContact CB-CD1 4.4Å
145	G	68.7	Low	72.2	Confident	35 Å²	35	44.8 Å²	44.8	36%	0.361	27%	0.265	S	S	.	.	S	Bend	trans	76	18	-178.5	0	0	0	0	0	115	F136 N142	F136-G145 WeakPolarHBondContact CE1-O 3.13Å; N142-G145 PolarHBondContact O-N 3.11Å
146	L	76.3	Confident	72.3	Confident	53 Å²	53	44.5 Å²	44.5	28%	0.277	26%	0.263	S	S	.	.			trans	-104.1	149.6	179	-64	169.9	0	0	0	110.9	N142 N144 F191 T193	N142-L146 PolarHBondContact N-O 3.32Å; N144-L146 HydrophobicContact CB-CD1 4.4Å; L146-F191 HydrophobicContact CB-CB 4.12Å; L146-F191 HydrophobicContact CB-CD1 4.31Å; L146-F191 HydrophobicContact CB-CG 4.46Å; L146-F191 HydrophobicContact CD1-CB 4.22Å; L146-F191 HydrophobicContact CD1-CG 4.49Å; L146-T193 HydrophobicContact CD2-CG2 3.8Å
147	V	76.1	Confident	72.2	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	177.8	168.1	0	0	0	0	109.5	F136 C139 K149 F152 F191 L192	F136-V147 HydrophobicContact CD1-CG2 3.88Å; F136-V147 HydrophobicContact CD2-CB 4.36Å; F136-V147 HydrophobicContact CD2-CG2 3.79Å; F136-V147 HydrophobicContact CE1-CB 4.5Å; F136-V147 HydrophobicContact CE1-CG2 3.59Å; F136-V147 HydrophobicContact CE2-CB 3.76Å; F136-V147 HydrophobicContact CE2-CG2 3.5Å; F136-V147 HydrophobicContact CG-CG2 3.97Å; F136-V147 HydrophobicContact CZ-CB 3.84Å; F136-V147 HydrophobicContact CZ-CG2 3.4Å; C139-V147 HydrophobicContact CB-CG1 3.55Å; C139-V147 HydrophobicContact CB-CG2 4.14Å; V147-K149 PolarHBondContact O-N 3.1Å; V147-F152 HydrophobicContact CG1-CB 3.97Å; V147-F191 CarbonylContact O-C 3.57Å; V147-F191 WeakPolarHBondContact O-CA 3.32Å; V147-L192 PolarHBondContact N-O 3.07Å; V147-L192 PolarHBondContact O-N 2.83Å
148	E	80.6	Confident	71.8	Confident	82 Å²	82	44.5 Å²	44.5	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.4	174	-75.5	-179	-168.5	0	0	111.2	N142 A150 E151 F152 F191	N142-E148 PolarHBondContact ND2-OE1 3.23Å; E148-A150 PolarHBondContact O-N 3.46Å; E148-E151 HydrophobicContact CB-CB 3.96Å; E148-E151 WeakPolarHBondContact O-CA 3.47Å; E148-E151 WeakPolarHBondContact O-CB 3.5Å; E148-E151 PolarHBondContact O-N 3.49Å; E148-F152 PolarHBondContact O-N 2.88Å; E148-F191 HydrophobicContact CG-CD1 3.84Å; E148-F191 HydrophobicContact CG-CE1 3.47Å; E148-F191 VanDerWaalsContact CG-CE1 3.47Å; E148-F191 HydrophobicContact CG-CZ 4.47Å
149	K	79.9	Confident	71.4	Confident	18 Å²	18	44.7 Å²	44.7	8%	0.078	26%	0.261	C	S	.	.	H	α-helix	trans	-56.7	-40.2	179.3	-178.6	177.6	174	-178	0	111.3	V147 E151 F152 V153 F180 T187 K189 M190 L192	V147-K149 PolarHBondContact O-N 3.1Å; K149-E151 VanDerWaalsContact C-N 3.32Å; K149-E151 PolarHBondContact O-N 3.44Å; K149-F152 PolarHBondContact O-N 3.01Å; K149-V153 HydrophobicContact CG-CG2 4.47Å; K149-V153 WeakPolarHBondContact O-CG2 3.21Å; K149-V153 PolarHBondContact O-N 3.31Å; K149-F180 HydrophobicContact CD-CE2 4.42Å; K149-F180 VanDerWaalsContact CE-CD2 3.48Å; K149-F180 HydrophobicContact CG-CE2 4.13Å; K149-F180 HydrophobicContact CG-CZ 4.37Å; K149-T187 PolarHBondContact NZ-O 3.12Å; K149-K189 VanDerWaalsContact CD-O 3.27Å; K149-K189 WeakPolarHBondContact CD-O 3.39Å; K149-M190 WeakPolarHBondContact CB-O 3.36Å; K149-M190 PolarHBondContact N-O 3.19Å; K149-L192 HydrophobicContact CB-CD1 4.32Å; K149-L192 HydrophobicContact CB-CG 4.2Å; K149-L192 HydrophobicContact CG-CD1 4.35Å
150	A	79.2	Confident	70.9	Confident	61 Å²	61	45.4 Å²	45.4	50%	0.504	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-39.8	175.7	0	0	0	0	0	112	E148 V153 N154	E148-A150 PolarHBondContact O-N 3.46Å; A150-V153 PolarHBondContact O-N 3.1Å; A150-N154 WeakPolarHBondContact O-CB 3.3Å; A150-N154 PolarHBondContact O-N 3.37Å; A150-N154 PolarHBondContact O-ND2 2.94Å
151	E	77.9	Confident	70.5	Confident	49 Å²	49	48.7 Å²	48.7	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-38.4	179.9	-161.4	175.9	-179.3	0	0	112.2	R98 C139 E148 K149 F155	R98-E151 IonicContact CZ-OE1 3.02Å; R98-E151 IonicContact NE-OE1 2.82Å; R98-E151 PolarHBondContact NH1-O 3.06Å; R98-E151 IonicContact NH2-OE1 2.64Å; R98-E151 PolarHBondContact NH2-OE1 2.91Å; C139-E151 WeakPolarHBondContact O-CG 3.44Å; E148-E151 HydrophobicContact CB-CB 3.96Å; E148-E151 WeakPolarHBondContact O-CA 3.47Å; E148-E151 WeakPolarHBondContact O-CB 3.5Å; E148-E151 PolarHBondContact O-N 3.49Å; K149-E151 VanDerWaalsContact C-N 3.32Å; K149-E151 PolarHBondContact O-N 3.44Å; E151-F155 PolarHBondContact O-N 3.16Å
152	F	78	Confident	69.8	Low	8 Å²	8	45.4 Å²	45.4	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-68.7	-41.4	173.2	-177	-98.5	0	0	0	112.4	C139 V147 E148 K149 N154 F155 M156 F180 L192 L197 F204	C139-F152 HydrophobicContact CB-CD2 4.43Å; V147-F152 HydrophobicContact CG1-CB 3.97Å; E148-F152 PolarHBondContact O-N 2.88Å; K149-F152 PolarHBondContact O-N 3.01Å; F152-N154 VanDerWaalsContact C-N 3.35Å; F152-N154 PolarHBondContact O-N 3.41Å; F152-F155 WeakPolarHBondContact O-CB 3.43Å; F152-F155 PolarHBondContact O-N 2.98Å; F152-M156 HydrophobicContact CD1-CG 4.02Å; F152-M156 HydrophobicContact CE1-CG 3.54Å; F152-M156 HydrophobicContact CE1-SD 4.25Å; F152-M156 HydrophobicContact CE2-CG 4.12Å; F152-M156 HydrophobicContact CE2-SD 4.26Å; F152-M156 HydrophobicContact CZ-CG 3.59Å; F152-M156 HydrophobicContact CZ-SD 3.74Å; F152-M156 WeakPolarHBondContact O-CB 3.38Å; F152-M156 WeakPolarHBondContact O-CG 3.22Å; F152-M156 PolarHBondContact O-N 3.41Å; F152-F180 HydrophobicContact CD1-CE1 4.38Å; F152-F180 AromaticContact CD1-CZ 3.84Å; F152-F180 HydrophobicContact CD1-CZ 3.84Å; F152-F180 HydrophobicContact CE1-CE1 4.3Å; F152-F180 HydrophobicContact CE1-CZ 4.08Å; F152-L192 HydrophobicContact CB-CD1 3.81Å; F152-L192 HydrophobicContact CD1-CD1 3.76Å; F152-L192 HydrophobicContact CG-CD1 3.84Å; F152-L197 HydrophobicContact CD2-CD1 3.76Å; F152-L197 HydrophobicContact CE1-CD1 4.42Å; F152-L197 HydrophobicContact CE2-CD1 3.13Å; F152-L197 HydrophobicContact CE2-CG 4.42Å; F152-L197 HydrophobicContact CZ-CD1 3.5Å; F152-L197 HydrophobicContact CZ-CG 4.46Å; F152-F204 HydrophobicContact CE1-CE2 4.22Å; F152-F204 HydrophobicContact CE1-CZ 4.16Å; F152-F204 HydrophobicContact CZ-CE2 4.27Å
153	V	78.6	Confident	69	Low	11 Å²	11	43 Å²	43	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-47.2	174.2	170.4	0	0	0	0	110	K149 A150 F155 M156 K157 I176 F180	K149-V153 HydrophobicContact CG-CG2 4.47Å; K149-V153 WeakPolarHBondContact O-CG2 3.21Å; K149-V153 PolarHBondContact O-N 3.31Å; A150-V153 PolarHBondContact O-N 3.1Å; V153-F155 VanDerWaalsContact C-N 3.31Å; V153-F155 PolarHBondContact O-N 3.37Å; V153-M156 PolarHBondContact O-N 3.27Å; V153-M156 VanDerWaalsContact O-N 3.14Å; V153-K157 HydrophobicContact CG1-CD 4.31Å; V153-K157 HydrophobicContact CG1-CG 4.42Å; V153-K157 WeakPolarHBondContact O-CG 3.43Å; V153-K157 PolarHBondContact O-N 3.07Å; V153-I176 HydrophobicContact CG1-CD1 4.17Å; V153-I176 HydrophobicContact CG2-CG2 3.92Å; V153-F180 HydrophobicContact CG2-CE2 3.82Å; V153-F180 HydrophobicContact CG2-CZ 4.37Å
154	N	77.3	Confident	68.1	Low	81 Å²	81	38.4 Å²	38.4	43%	0.433	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-37.4	176.9	-73.6	-17.5	0	0	0	112.5	A150 F152 K157 S158	A150-N154 WeakPolarHBondContact O-CB 3.3Å; A150-N154 PolarHBondContact O-N 3.37Å; A150-N154 PolarHBondContact O-ND2 2.94Å; F152-N154 VanDerWaalsContact C-N 3.35Å; F152-N154 PolarHBondContact O-N 3.41Å; N154-K157 PolarHBondContact O-N 3.5Å; N154-S158 WeakPolarHBondContact O-CB 3.41Å; N154-S158 PolarHBondContact O-N 3.09Å
155	F	72.4	Confident	67.4	Low	4 Å²	4	32.8 Å²	32.8	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-46.3	172	-178.4	-106.3	0	0	0	112	L95 L135 M138 C139 E151 F152 V153 S158 T159	L95-F155 HydrophobicContact CD1-CD2 4.48Å; L95-F155 HydrophobicContact CD1-CE2 3.6Å; L95-F155 HydrophobicContact CD1-CZ 4.06Å; L135-F155 HydrophobicContact CD2-CE1 3.89Å; L135-F155 HydrophobicContact CD2-CZ 3.99Å; M138-F155 HydrophobicContact CB-CE2 3.91Å; M138-F155 HydrophobicContact CB-CZ 4.2Å; M138-F155 HydrophobicContact SD-CE2 3.92Å; M138-F155 HydrophobicContact SD-CZ 3.83Å; C139-F155 WeakPolarHBondContact SG-CD1 3.45Å; C139-F155 WeakPolarHBondContact SG-CG 3.2Å; E151-F155 PolarHBondContact O-N 3.16Å; F152-F155 WeakPolarHBondContact O-CB 3.43Å; F152-F155 PolarHBondContact O-N 2.98Å; V153-F155 VanDerWaalsContact C-N 3.31Å; V153-F155 PolarHBondContact O-N 3.37Å; F155-S158 PolarHBondContact O-N 2.97Å; F155-T159 WeakPolarHBondContact O-CB 3.32Å; F155-T159 PolarHBondContact O-N 3.45Å; F155-T159 PolarHBondContact O-OG1 3.01Å
156	M	71	Confident	66.5	Low	7 Å²	7	39.7 Å²	39.7	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-41	179.5	-73.4	-63.2	-60	0	0	111.3	F152 V153 T159 I160 I176 F204 L209	F152-M156 HydrophobicContact CD1-CG 4.02Å; F152-M156 HydrophobicContact CE1-CG 3.54Å; F152-M156 HydrophobicContact CE1-SD 4.25Å; F152-M156 HydrophobicContact CE2-CG 4.12Å; F152-M156 HydrophobicContact CE2-SD 4.26Å; F152-M156 HydrophobicContact CZ-CG 3.59Å; F152-M156 HydrophobicContact CZ-SD 3.74Å; F152-M156 WeakPolarHBondContact O-CB 3.38Å; F152-M156 WeakPolarHBondContact O-CG 3.22Å; F152-M156 PolarHBondContact O-N 3.41Å; V153-M156 PolarHBondContact O-N 3.27Å; V153-M156 VanDerWaalsContact O-N 3.14Å; M156-T159 CarbonylContact O-C 3.56Å; M156-T159 PolarHBondContact O-N 3.05Å; M156-T159 VanDerWaalsContact O-N 3.15Å; M156-I160 WeakPolarHBondContact O-CB 3.25Å; M156-I160 WeakPolarHBondContact O-CD1 3.34Å; M156-I160 WeakPolarHBondContact O-CG1 3.41Å; M156-I160 PolarHBondContact O-N 3.1Å; M156-I176 HydrophobicContact CB-CD1 3.88Å; M156-F204 HydrophobicContact CE-CD1 3.7Å; M156-F204 HydrophobicContact CE-CE1 3.4Å; M156-F204 VanDerWaalsContact CE-CE1 3.4Å; M156-F204 HydrophobicContact CE-CG 4.44Å; M156-F204 HydrophobicContact CE-CZ 3.92Å; M156-L209 HydrophobicContact CE-CD1 3.74Å
157	K	70.8	Confident	65.6	Low	35 Å²	35	40.3 Å²	40.3	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-51.3	171.9	-69.8	-178.1	174.1	176.8	0	111.4	V153 N154 T159 I160 D161 Q172 D173 I176	V153-K157 HydrophobicContact CG1-CD 4.31Å; V153-K157 HydrophobicContact CG1-CG 4.42Å; V153-K157 WeakPolarHBondContact O-CG 3.43Å; V153-K157 PolarHBondContact O-N 3.07Å; N154-K157 PolarHBondContact O-N 3.5Å; K157-T159 VanDerWaalsContact C-N 3.26Å; K157-T159 PolarHBondContact O-N 3.18Å; K157-I160 CarbonylContact O-C 3.39Å; K157-I160 WeakPolarHBondContact O-CB 3.08Å; K157-I160 PolarHBondContact O-N 3.46Å; K157-I160 VanDerWaalsContact O-N 3.1Å; K157-D161 WeakPolarHBondContact O-CB 3.37Å; K157-D161 PolarHBondContact O-N 3.28Å; K157-Q172 VanDerWaalsContact CB-OE1 3.27Å; K157-Q172 HydrophobicContact CG-CB 4.29Å; K157-Q172 VanDerWaalsContact CG-OE1 3.24Å; K157-D173 WeakPolarHBondContact CE-OD1 3.48Å; K157-D173 IonicContact NZ-OD1 4Å; K157-D173 PolarHBondContact NZ-OD1 3.2Å; K157-D173 IonicContact NZ-OD2 3.1Å; K157-D173 PolarHBondContact NZ-OD2 3.43Å; K157-I176 HydrophobicContact CG-CD1 4.19Å
158	S	64.2	Low	64.9	Low	15 Å²	15	42.7 Å²	42.7	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-34	175.1	172.6	0	0	0	0	112.9	N154 F155 L162	N154-S158 WeakPolarHBondContact O-CB 3.41Å; N154-S158 PolarHBondContact O-N 3.09Å; F155-S158 PolarHBondContact O-N 2.97Å; S158-L162 VanDerWaalsContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CB 3.28Å; S158-L162 PolarHBondContact O-N 3.14Å
159	T	61.4	Low	64.3	Low	15 Å²	15	42 Å²	42	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-75.5	-32	176.2	-51.4	0	0	0	0	112.7	F155 M156 K157 L162 A163	F155-T159 WeakPolarHBondContact O-CB 3.32Å; F155-T159 PolarHBondContact O-N 3.45Å; F155-T159 PolarHBondContact O-OG1 3.01Å; M156-T159 CarbonylContact O-C 3.56Å; M156-T159 PolarHBondContact O-N 3.05Å; M156-T159 VanDerWaalsContact O-N 3.15Å; K157-T159 VanDerWaalsContact C-N 3.26Å; K157-T159 PolarHBondContact O-N 3.18Å; T159-L162 WeakPolarHBondContact O-CB 3.33Å; T159-L162 PolarHBondContact O-N 3.24Å; T159-A163 WeakPolarHBondContact O-CB 3.41Å; T159-A163 PolarHBondContact O-N 3.26Å
160	I	59.7	Low	63.9	Low	14 Å²	14	47 Å²	47	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-71.6	-41.6	173.6	-73.3	168	0	0	0	109.3	M156 K157 L162 A163 G164 T165 L167 Q172 I176	M156-I160 WeakPolarHBondContact O-CB 3.25Å; M156-I160 WeakPolarHBondContact O-CD1 3.34Å; M156-I160 WeakPolarHBondContact O-CG1 3.41Å; M156-I160 PolarHBondContact O-N 3.1Å; K157-I160 CarbonylContact O-C 3.39Å; K157-I160 WeakPolarHBondContact O-CB 3.08Å; K157-I160 PolarHBondContact O-N 3.46Å; K157-I160 VanDerWaalsContact O-N 3.1Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 2.7Å; I160-A163 CarbonylContact O-C 3.59Å; I160-A163 WeakPolarHBondContact O-CA 3.43Å; I160-A163 WeakPolarHBondContact O-CB 3.48Å; I160-A163 PolarHBondContact O-N 3.25Å; I160-A163 VanDerWaalsContact O-N 3.11Å; I160-G164 PolarHBondContact O-N 3Å; I160-T165 WeakPolarHBondContact CG2-OG1 3.49Å; I160-T165 PolarHBondContact O-N 2.86Å; I160-T165 PolarHBondContact O-OG1 2.9Å; I160-L167 HydrophobicContact CG2-CD1 4.01Å; I160-Q172 HydrophobicContact CG2-CG 4.1Å; I160-I176 HydrophobicContact CD1-CD1 4.2Å; I160-I176 HydrophobicContact CD1-CG1 4.43Å
161	D	57.3	Low	63.4	Low	93 Å²	93	47.7 Å²	47.7	50%	0.497	25%	0.25	S	C	.	.	H	α-helix	trans	-61.8	-40.9	171.7	-65.5	-20.7	0	0	0	110.4	K157 A163 G164 Q172	K157-D161 WeakPolarHBondContact O-CB 3.37Å; K157-D161 PolarHBondContact O-N 3.28Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.31Å; D161-G164 WeakPolarHBondContact O-CA 3.35Å; D161-G164 PolarHBondContact O-N 2.72Å; D161-Q172 PolarHBondContact OD1-NE2 3.22Å
162	L	49	Very low	62.9	Low	63 Å²	63	45.6 Å²	45.6	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-38.5	171.3	-178.7	79.6	0	0	0	112.6	M89 L95 S158 T159 I160 G164	M89-L162 HydrophobicContact CE-CD1 3.6Å; M89-L162 HydrophobicContact CG-CD1 4.36Å; M89-L162 HydrophobicContact SD-CD1 3.37Å; M89-L162 WeakPolarHBondContact SD-CD1 3.35Å; L95-L162 HydrophobicContact CD2-CB 4.18Å; L95-L162 HydrophobicContact CD2-CD1 3.65Å; L95-L162 HydrophobicContact CD2-CD2 3.31Å; L95-L162 HydrophobicContact CD2-CG 3.87Å; S158-L162 VanDerWaalsContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CB 3.28Å; S158-L162 PolarHBondContact O-N 3.14Å; T159-L162 WeakPolarHBondContact O-CB 3.33Å; T159-L162 PolarHBondContact O-N 3.24Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 2.7Å; L162-G164 PolarHBondContact O-N 3.42Å; L162-G164 VanDerWaalsContact O-N 3.09Å
163	A	45.6	Very low	62.8	Low	8 Å²	8	47.9 Å²	47.9	7%	0.066	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	8.2	172.6	0	0	0	0	0	112.4	T159 I160 D161 T165 M731	T159-A163 WeakPolarHBondContact O-CB 3.41Å; T159-A163 PolarHBondContact O-N 3.26Å; I160-A163 CarbonylContact O-C 3.59Å; I160-A163 WeakPolarHBondContact O-CA 3.43Å; I160-A163 WeakPolarHBondContact O-CB 3.48Å; I160-A163 PolarHBondContact O-N 3.25Å; I160-A163 VanDerWaalsContact O-N 3.11Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.31Å; A163-T165 PolarHBondContact O-N 2.69Å; A163-M731 CarbonylContact C-O 3.6Å; A163-M731 HydrophobicContact CB-CE 3.51Å; A163-M731 HydrophobicContact CB-CG 4.03Å
164	G	43.7	Very low	62.4	Low	14 Å²	14	54 Å²	54	14%	0.144	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	12	172.4	0	0	0	0	0	113.9	I160 D161 L162 Y166 N734	I160-G164 PolarHBondContact O-N 3Å; D161-G164 WeakPolarHBondContact O-CA 3.35Å; D161-G164 PolarHBondContact O-N 2.72Å; L162-G164 PolarHBondContact O-N 3.42Å; L162-G164 VanDerWaalsContact O-N 3.09Å; G164-Y166 PolarHBondContact O-N 3Å; G164-N734 WeakPolarHBondContact O-CB 3.38Å; G164-N734 PolarHBondContact O-ND2 2.9Å
165	T	47.2	Very low	62	Low	23 Å²	23	52.6 Å²	52.6	14%	0.141	28%	0.275	C	S	.	.			trans	-86	94.6	173.8	47.8	0	0	0	0	107.8	I160 A163 L167 I725	I160-T165 WeakPolarHBondContact CG2-OG1 3.49Å; I160-T165 PolarHBondContact O-N 2.86Å; I160-T165 PolarHBondContact O-OG1 2.9Å; A163-T165 PolarHBondContact O-N 2.69Å; T165-L167 PolarHBondContact O-N 3.42Å; T165-I725 HydrophobicContact CG2-CD1 3.95Å
166	Y	50.5	Low	62	Low	179 Å²	179	52.4 Å²	52.4	70%	0.702	27%	0.274	S	S	*	.			trans	-68.2	67.9	166.2	-65.9	-85.6	0	0	0	109.5	G164	G164-Y166 PolarHBondContact O-N 3Å
167	L	56.1	Low	62.3	Low	66 Å²	66	55.7 Å²	55.7	35%	0.346	29%	0.289	S	S	.	.			trans	-80.9	136.4	165.3	-72.4	156.4	0	0	0	106.3	I160 T165 I171 Q172	I160-L167 HydrophobicContact CG2-CD1 4.01Å; T165-L167 PolarHBondContact O-N 3.42Å; L167-I171 HydrophobicContact CB-CB 4.49Å; L167-I171 HydrophobicContact CD2-CB 4.28Å; L167-I171 HydrophobicContact CD2-CG2 3.66Å; L167-Q172 HydrophobicContact CB-CG 3.51Å; L167-Q172 HydrophobicContact CD1-CG 4.49Å; L167-Q172 PolarHBondContact O-NE2 3.44Å
168	S	62.7	Low	62.3	Low	50 Å²	50	57.8 Å²	57.8	35%	0.35	31%	0.309	S	S	.	.			trans	-57.6	149.3	171.4	75.2	0	0	0	0	109.1	E170 I171 Q172	S168-E170 WeakPolarHBondContact CB-OE2 3.14Å; S168-E170 PolarHBondContact O-N 3.43Å; S168-E170 VanDerWaalsContact O-N 3.07Å; S168-E170 PolarHBondContact OG-OE2 3.22Å; S168-I171 PolarHBondContact O-N 3.23Å; S168-I171 WeakPolarHBondContact OG-CG1 3.45Å; S168-Q172 WeakPolarHBondContact O-CG 3.2Å; S168-Q172 PolarHBondContact O-N 3.1Å
169	S	68.6	Low	62.7	Low	68 Å²	68	57.4 Å²	57.4	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-54.8	-31	-178	46	0	0	0	0	112.3	D173	S169-D173 PolarHBondContact O-N 2.84Å
170	E	70.5	Confident	63.5	Low	122 Å²	122	56.9 Å²	56.9	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-66.3	-45	175.9	-51.9	91.2	-167.2	0	0	112.2	S168 Q172 D173 E174	S168-E170 WeakPolarHBondContact CB-OE2 3.14Å; S168-E170 PolarHBondContact O-N 3.43Å; S168-E170 VanDerWaalsContact O-N 3.07Å; S168-E170 PolarHBondContact OG-OE2 3.22Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 2.97Å; E170-D173 PolarHBondContact O-N 3Å; E170-E174 WeakPolarHBondContact O-CG 3.25Å; E170-E174 PolarHBondContact O-N 2.91Å
171	I	69.5	Low	64.3	Low	76 Å²	76	64.4 Å²	64.4	39%	0.39	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-38.1	179.8	-59.1	168.2	0	0	0	110.1	L167 S168 D173 E174 V175	L167-I171 HydrophobicContact CB-CB 4.49Å; L167-I171 HydrophobicContact CD2-CB 4.28Å; L167-I171 HydrophobicContact CD2-CG2 3.66Å; S168-I171 PolarHBondContact O-N 3.23Å; S168-I171 WeakPolarHBondContact OG-CG1 3.45Å; I171-D173 VanDerWaalsContact C-N 3.33Å; I171-D173 PolarHBondContact O-N 2.96Å; I171-E174 PolarHBondContact O-N 3.4Å; I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.5Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 2.84Å; I171-V175 PolarHBondContact O-N 2.9Å
172	Q	67.3	Low	64.8	Low	6 Å²	6	63.3 Å²	63.3	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-45	175	-62	-173.5	12	0	0	111	K157 I160 D161 L167 S168 E170 V175 I176	K157-Q172 VanDerWaalsContact CB-OE1 3.27Å; K157-Q172 HydrophobicContact CG-CB 4.29Å; K157-Q172 VanDerWaalsContact CG-OE1 3.24Å; I160-Q172 HydrophobicContact CG2-CG 4.1Å; D161-Q172 PolarHBondContact OD1-NE2 3.22Å; L167-Q172 HydrophobicContact CB-CG 3.51Å; L167-Q172 HydrophobicContact CD1-CG 4.49Å; L167-Q172 PolarHBondContact O-NE2 3.44Å; S168-Q172 WeakPolarHBondContact O-CG 3.2Å; S168-Q172 PolarHBondContact O-N 3.1Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 2.97Å; Q172-V175 PolarHBondContact O-N 2.89Å; Q172-I176 WeakPolarHBondContact O-CB 3.18Å; Q172-I176 WeakPolarHBondContact O-CD1 3.35Å; Q172-I176 WeakPolarHBondContact O-CG1 3.35Å; Q172-I176 PolarHBondContact O-N 3.15Å
173	D	74.5	Confident	65.8	Low	55 Å²	55	61.7 Å²	61.7	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.2	-81.6	-37	0	0	0	112.1	K157 S169 E170 I171 V175 I176 Q177	K157-D173 WeakPolarHBondContact CE-OD1 3.48Å; K157-D173 IonicContact NZ-OD1 4Å; K157-D173 PolarHBondContact NZ-OD1 3.2Å; K157-D173 IonicContact NZ-OD2 3.1Å; K157-D173 PolarHBondContact NZ-OD2 3.43Å; S169-D173 PolarHBondContact O-N 2.84Å; E170-D173 PolarHBondContact O-N 3Å; I171-D173 VanDerWaalsContact C-N 3.33Å; I171-D173 PolarHBondContact O-N 2.96Å; D173-V175 PolarHBondContact O-N 3.18Å; D173-I176 PolarHBondContact O-N 3.3Å; D173-Q177 WeakPolarHBondContact O-CB 3.35Å; D173-Q177 WeakPolarHBondContact O-CG 3.42Å; D173-Q177 PolarHBondContact O-N 3.48Å
174	E	70.4	Confident	67.1	Low	139 Å²	139	64.4 Å²	64.4	65%	0.65	36%	0.355	S	S	*	.	H	α-helix	trans	-60.6	-44.5	177.8	-75.8	-175.6	175.9	0	0	112.3	E170 I171 Q177 S178	E170-E174 WeakPolarHBondContact O-CG 3.25Å; E170-E174 PolarHBondContact O-N 2.91Å; I171-E174 PolarHBondContact O-N 3.4Å; E174-Q177 PolarHBondContact O-N 3.48Å; E174-S178 VanDerWaalsContact O-CB 3.23Å; E174-S178 WeakPolarHBondContact O-CB 3.45Å; E174-S178 PolarHBondContact O-N 3.23Å
175	V	69.7	Low	68.6	Low	52 Å²	52	64.1 Å²	64.1	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-47.6	177.7	170.9	0	0	0	0	110.4	I171 Q172 D173 S178 I179	I171-V175 HydrophobicContact CG2-CG2 4.26Å; I171-V175 WeakPolarHBondContact O-CB 3.5Å; I171-V175 VanDerWaalsContact O-CG2 3.26Å; I171-V175 WeakPolarHBondContact O-CG2 2.84Å; I171-V175 PolarHBondContact O-N 2.9Å; Q172-V175 PolarHBondContact O-N 2.89Å; D173-V175 PolarHBondContact O-N 3.18Å; V175-S178 WeakPolarHBondContact O-CB 3.45Å; V175-S178 PolarHBondContact O-N 3.33Å; V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 WeakPolarHBondContact O-CD1 3.34Å; V175-I179 VanDerWaalsContact O-CG1 3.23Å; V175-I179 WeakPolarHBondContact O-CG1 3.41Å; V175-I179 PolarHBondContact O-N 3.42Å
176	I	73	Confident	69.8	Low	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.8	-41.6	-178.8	-65.5	164.8	0	0	0	111.1	V153 M156 K157 I160 Q172 D173 I179 F180	V153-I176 HydrophobicContact CG1-CD1 4.17Å; V153-I176 HydrophobicContact CG2-CG2 3.92Å; M156-I176 HydrophobicContact CB-CD1 3.88Å; K157-I176 HydrophobicContact CG-CD1 4.19Å; I160-I176 HydrophobicContact CD1-CD1 4.2Å; I160-I176 HydrophobicContact CD1-CG1 4.43Å; Q172-I176 WeakPolarHBondContact O-CB 3.18Å; Q172-I176 WeakPolarHBondContact O-CD1 3.35Å; Q172-I176 WeakPolarHBondContact O-CG1 3.35Å; Q172-I176 PolarHBondContact O-N 3.15Å; D173-I176 PolarHBondContact O-N 3.3Å; I176-I179 PolarHBondContact O-N 3.19Å; I176-F180 HydrophobicContact CG2-CD2 3.91Å; I176-F180 HydrophobicContact CG2-CE2 3.39Å; I176-F180 HydrophobicContact CG2-CZ 3.95Å; I176-F180 VanDerWaalsContact O-CD2 3.31Å; I176-F180 WeakPolarHBondContact O-CD2 3.38Å; I176-F180 PolarHBondContact O-N 2.95Å
177	Q	76	Confident	70.6	Confident	77 Å²	77	63.3 Å²	63.3	36%	0.36	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-36.9	176.8	-67.4	-68.6	-6	0	0	112.2	D173 E174 I179 F180 K181	D173-Q177 WeakPolarHBondContact O-CB 3.35Å; D173-Q177 WeakPolarHBondContact O-CG 3.42Å; D173-Q177 PolarHBondContact O-N 3.48Å; E174-Q177 PolarHBondContact O-N 3.48Å; Q177-I179 VanDerWaalsContact C-N 3.31Å; Q177-I179 PolarHBondContact O-N 2.87Å; Q177-F180 PolarHBondContact O-N 3.31Å; Q177-K181 WeakPolarHBondContact O-CB 3.39Å; Q177-K181 PolarHBondContact O-N 3.49Å
178	S	71.8	Confident	71.3	Confident	79 Å²	79	68.8 Å²	68.8	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-60.5	-42.3	173.5	-174.6	0	0	0	0	111.4	E174 V175 K181 S182	E174-S178 VanDerWaalsContact O-CB 3.23Å; E174-S178 WeakPolarHBondContact O-CB 3.45Å; E174-S178 PolarHBondContact O-N 3.23Å; V175-S178 WeakPolarHBondContact O-CB 3.45Å; V175-S178 PolarHBondContact O-N 3.33Å; S178-K181 PolarHBondContact O-N 2.85Å; S178-S182 PolarHBondContact O-N 2.78Å; S178-S182 PolarHBondContact O-OG 3.46Å
179	I	72.4	Confident	72	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.036	39%	0.388	C	S	.	.	H	α-helix	trans	-64.1	-44.1	175.7	-64.5	162	0	0	0	111.1	V175 I176 Q177 K181 S182 C183 E203 F204 I207	V175-I179 HydrophobicContact CG1-CD1 3.96Å; V175-I179 WeakPolarHBondContact O-CD1 3.34Å; V175-I179 VanDerWaalsContact O-CG1 3.23Å; V175-I179 WeakPolarHBondContact O-CG1 3.41Å; V175-I179 PolarHBondContact O-N 3.42Å; I176-I179 PolarHBondContact O-N 3.19Å; Q177-I179 VanDerWaalsContact C-N 3.31Å; Q177-I179 PolarHBondContact O-N 2.87Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.14Å; I179-S182 WeakPolarHBondContact CA-OG 3.37Å; I179-S182 PolarHBondContact O-N 3.39Å; I179-S182 PolarHBondContact O-OG 3.42Å; I179-C183 WeakPolarHBondContact O-CB 3.17Å; I179-C183 PolarHBondContact O-N 2.84Å; I179-C183 PolarHBondContact O-SG 3.49Å; I179-E203 HydrophobicContact CG2-CB 4.02Å; I179-F204 HydrophobicContact CB-CE1 4.41Å; I179-F204 HydrophobicContact CB-CZ 4.49Å; I179-F204 HydrophobicContact CD1-CD1 3.59Å; I179-F204 HydrophobicContact CD1-CE1 3.31Å; I179-F204 HydrophobicContact CD1-CZ 4.17Å; I179-F204 HydrophobicContact CG1-CE1 4.41Å; I179-F204 HydrophobicContact CG2-CD1 4.3Å; I179-F204 HydrophobicContact CG2-CD2 4.38Å; I179-F204 HydrophobicContact CG2-CE1 3.95Å; I179-F204 HydrophobicContact CG2-CE2 4.05Å; I179-F204 HydrophobicContact CG2-CG 4.49Å; I179-F204 HydrophobicContact CG2-CZ 3.8Å; I179-I207 HydrophobicContact CD1-CD1 3.29Å; I179-I207 HydrophobicContact CG1-CD1 3.44Å; I179-I207 VanDerWaalsContact CG1-CD1 3.44Å
180	F	78.7	Confident	72.4	Confident	3 Å²	3	73.4 Å²	73.4	1%	0.013	40%	0.399	C	S	.	.	H	α-helix	trans	-61.9	-39.3	176.2	-70.2	-43.4	0	0	0	112.4	K149 F152 V153 I176 Q177 C183 G184 I185 L192	K149-F180 HydrophobicContact CD-CE2 4.42Å; K149-F180 VanDerWaalsContact CE-CD2 3.48Å; K149-F180 HydrophobicContact CG-CE2 4.13Å; K149-F180 HydrophobicContact CG-CZ 4.37Å; F152-F180 HydrophobicContact CD1-CE1 4.38Å; F152-F180 AromaticContact CD1-CZ 3.84Å; F152-F180 HydrophobicContact CD1-CZ 3.84Å; F152-F180 HydrophobicContact CE1-CE1 4.3Å; F152-F180 HydrophobicContact CE1-CZ 4.08Å; V153-F180 HydrophobicContact CG2-CE2 3.82Å; V153-F180 HydrophobicContact CG2-CZ 4.37Å; I176-F180 HydrophobicContact CG2-CD2 3.91Å; I176-F180 HydrophobicContact CG2-CE2 3.39Å; I176-F180 HydrophobicContact CG2-CZ 3.95Å; I176-F180 VanDerWaalsContact O-CD2 3.31Å; I176-F180 WeakPolarHBondContact O-CD2 3.38Å; I176-F180 PolarHBondContact O-N 2.95Å; Q177-F180 PolarHBondContact O-N 3.31Å; F180-C183 PolarHBondContact O-N 3.02Å; F180-G184 PolarHBondContact O-N 3.46Å; F180-I185 HydrophobicContact CB-CB 4.34Å; F180-I185 HydrophobicContact CD1-CB 4.47Å; F180-I185 HydrophobicContact CD1-CD1 3.74Å; F180-I185 HydrophobicContact CE1-CD1 4.31Å; F180-I185 PolarHBondContact O-N 2.93Å; F180-L192 HydrophobicContact CE1-CD1 4.19Å; F180-L192 HydrophobicContact CE1-CD2 4.42Å; F180-L192 HydrophobicContact CZ-CD1 4.11Å
181	K	75.6	Confident	72.9	Confident	173 Å²	173	71.3 Å²	71.3	75%	0.752	39%	0.388	S	S	*	.	H	α-helix	trans	-66.8	-41.1	177.3	-168.4	178	-178.8	-179.8	0	112	Q177 S178 I179 C183 G184	Q177-K181 WeakPolarHBondContact O-CB 3.39Å; Q177-K181 PolarHBondContact O-N 3.49Å; S178-K181 PolarHBondContact O-N 2.85Å; I179-K181 VanDerWaalsContact C-N 3.28Å; I179-K181 PolarHBondContact O-N 3.14Å; K181-C183 VanDerWaalsContact C-N 3.27Å; K181-C183 PolarHBondContact O-N 2.84Å; K181-G184 PolarHBondContact O-N 2.86Å
182	S	69.2	Low	73.3	Confident	70 Å²	70	67.9 Å²	67.9	49%	0.49	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-29.1	177.2	64.7	0	0	0	0	112.6	S178 I179 G184	S178-S182 PolarHBondContact O-N 2.78Å; S178-S182 PolarHBondContact O-OG 3.46Å; I179-S182 WeakPolarHBondContact CA-OG 3.37Å; I179-S182 PolarHBondContact O-N 3.39Å; I179-S182 PolarHBondContact O-OG 3.42Å; S182-G184 VanDerWaalsContact C-N 3.3Å; S182-G184 PolarHBondContact O-N 3.35Å
183	C	70	Confident	74	Confident	29 Å²	29	69.6 Å²	69.6	20%	0.196	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.4	178.8	-60	0	0	0	0	114.1	I179 F180 K181 I185 A200 E203	I179-C183 WeakPolarHBondContact O-CB 3.17Å; I179-C183 PolarHBondContact O-N 2.84Å; I179-C183 PolarHBondContact O-SG 3.49Å; F180-C183 PolarHBondContact O-N 3.02Å; K181-C183 VanDerWaalsContact C-N 3.27Å; K181-C183 PolarHBondContact O-N 2.84Å; C183-I185 VanDerWaalsContact C-N 3.26Å; C183-I185 HydrophobicContact CB-CD1 4.12Å; C183-I185 HydrophobicContact CB-CG1 4.33Å; C183-I185 PolarHBondContact O-N 2.89Å; C183-A200 VanDerWaalsContact SG-CA 3.55Å; C183-E203 VanDerWaalsContact SG-CG 3.58Å
184	G	72.5	Confident	74.1	Confident	64 Å²	64	68.5 Å²	68.5	66%	0.66	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	17	-179.3	0	0	0	0	0	114.4	F180 K181 S182 P186	F180-G184 PolarHBondContact O-N 3.46Å; K181-G184 PolarHBondContact O-N 2.86Å; S182-G184 VanDerWaalsContact C-N 3.3Å; S182-G184 PolarHBondContact O-N 3.35Å; G184-P186 WeakPolarHBondContact O-CD 3.37Å
185	I	74.4	Confident	74.4	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.041	38%	0.377	C	S	.	.			trans	-81	116.3	176.8	-63.5	164	0	0	0	107.8	F180 C183 T187 K189 L192 D196 A200	F180-I185 HydrophobicContact CB-CB 4.34Å; F180-I185 HydrophobicContact CD1-CB 4.47Å; F180-I185 HydrophobicContact CD1-CD1 3.74Å; F180-I185 HydrophobicContact CE1-CD1 4.31Å; F180-I185 PolarHBondContact O-N 2.93Å; C183-I185 VanDerWaalsContact C-N 3.26Å; C183-I185 HydrophobicContact CB-CD1 4.12Å; C183-I185 HydrophobicContact CB-CG1 4.33Å; C183-I185 PolarHBondContact O-N 2.89Å; I185-T187 PolarHBondContact O-N 3.37Å; I185-K189 HydrophobicContact CG2-CD 4.41Å; I185-L192 HydrophobicContact CG2-CD2 4Å; I185-D196 HydrophobicContact CD1-CB 4Å; I185-D196 HydrophobicContact CG1-CB 4.36Å; I185-A200 HydrophobicContact CD1-CB 4.41Å
186	P	72.1	Confident	74.8	Confident	79 Å²	79	67.6 Å²	67.6	51%	0.513	37%	0.368	S	S	.	.			trans	-57	138.4	-178.6	-23.2	32.9	0	0	0	111.3	G184 E188 K189	G184-P186 WeakPolarHBondContact O-CD 3.37Å; P186-E188 PolarHBondContact O-N 3.38Å; P186-E188 VanDerWaalsContact O-N 3.12Å; P186-K189 HydrophobicContact CB-CB 4.5Å; P186-K189 WeakPolarHBondContact O-CB 3.15Å; P186-K189 PolarHBondContact O-N 2.93Å; P186-K189 VanDerWaalsContact O-N 3.08Å
187	T	67.8	Low	74.8	Confident	107 Å²	107	68 Å²	68	66%	0.656	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.1	-178.7	-45.6	0	0	0	0	111.8	K149 I185	K149-T187 PolarHBondContact NZ-O 3.12Å; I185-T187 PolarHBondContact O-N 3.37Å
188	E	70.1	Confident	74.7	Confident	180 Å²	180	67.1 Å²	67.1	84%	0.841	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.4	-178.1	-58.3	-179	-171.3	0	0	114.8	P186 M190	P186-E188 PolarHBondContact O-N 3.38Å; P186-E188 VanDerWaalsContact O-N 3.12Å; E188-M190 PolarHBondContact O-N 3.49Å
189	K	78.2	Confident	74.8	Confident	71 Å²	71	65.5 Å²	65.5	31%	0.309	36%	0.358	S	S	.	.			trans	-68.5	109.9	-177.3	-162.9	-179.8	-173.3	177.2	0	109.7	K149 I185 P186 F191 D196	K149-K189 VanDerWaalsContact CD-O 3.27Å; K149-K189 WeakPolarHBondContact CD-O 3.39Å; I185-K189 HydrophobicContact CG2-CD 4.41Å; P186-K189 HydrophobicContact CB-CB 4.5Å; P186-K189 WeakPolarHBondContact O-CB 3.15Å; P186-K189 PolarHBondContact O-N 2.93Å; P186-K189 VanDerWaalsContact O-N 3.08Å; K189-F191 WeakPolarHBondContact CE-O 3.19Å; K189-F191 WeakPolarHBondContact CG-O 3.5Å; K189-D196 WeakPolarHBondContact CE-OD2 3.47Å; K189-D196 IonicContact NZ-OD1 2.88Å; K189-D196 PolarHBondContact NZ-OD1 2.88Å; K189-D196 IonicContact NZ-OD2 3.33Å; K189-D196 PolarHBondContact NZ-OD2 3.15Å
190	M	77.3	Confident	74.7	Confident	144 Å²	144	65.2 Å²	65.2	71%	0.709	36%	0.357	S	S	*	.			trans	-75.2	-27.4	-179.7	-72.6	-170.7	168.2	0	0	113.4	K149 E188	K149-M190 WeakPolarHBondContact CB-O 3.36Å; K149-M190 PolarHBondContact N-O 3.19Å; E188-M190 PolarHBondContact O-N 3.49Å
191	F	80.4	Confident	74	Confident	78 Å²	78	65.3 Å²	65.3	34%	0.342	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	-174.7	-61.5	-74.9	0	0	0	111.3	N142 L146 V147 E148 K189	N142-F191 WeakPolarHBondContact ND2-CE1 3.44Å; L146-F191 HydrophobicContact CB-CB 4.12Å; L146-F191 HydrophobicContact CB-CD1 4.31Å; L146-F191 HydrophobicContact CB-CG 4.46Å; L146-F191 HydrophobicContact CD1-CB 4.22Å; L146-F191 HydrophobicContact CD1-CG 4.49Å; V147-F191 CarbonylContact O-C 3.57Å; V147-F191 WeakPolarHBondContact O-CA 3.32Å; E148-F191 HydrophobicContact CG-CD1 3.84Å; E148-F191 HydrophobicContact CG-CE1 3.47Å; E148-F191 VanDerWaalsContact CG-CE1 3.47Å; E148-F191 HydrophobicContact CG-CZ 4.47Å; K189-F191 WeakPolarHBondContact CE-O 3.19Å; K189-F191 WeakPolarHBondContact CG-O 3.5Å
192	L	78.9	Confident	73.4	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138	176.9	-61.8	171.8	0	0	0	110.2	F136 V147 K149 F152 F180 I185 D196	F136-L192 WeakPolarHBondContact CE2-O 3.23Å; F136-L192 VanDerWaalsContact CZ-O 3.31Å; F136-L192 WeakPolarHBondContact CZ-O 3.07Å; V147-L192 PolarHBondContact N-O 3.07Å; V147-L192 PolarHBondContact O-N 2.83Å; K149-L192 HydrophobicContact CB-CD1 4.32Å; K149-L192 HydrophobicContact CB-CG 4.2Å; K149-L192 HydrophobicContact CG-CD1 4.35Å; F152-L192 HydrophobicContact CB-CD1 3.81Å; F152-L192 HydrophobicContact CD1-CD1 3.76Å; F152-L192 HydrophobicContact CG-CD1 3.84Å; F180-L192 HydrophobicContact CE1-CD1 4.19Å; F180-L192 HydrophobicContact CE1-CD2 4.42Å; F180-L192 HydrophobicContact CZ-CD1 4.11Å; I185-L192 HydrophobicContact CG2-CD2 4Å; L192-D196 WeakPolarHBondContact CA-OD2 3.44Å; L192-D196 HydrophobicContact CD2-CB 4.21Å
193	T	81.2	Confident	73	Confident	41 Å²	41	62 Å²	62	25%	0.252	34%	0.34	S	S	.	.			trans	-92.8	167	169.5	68.1	0	0	0	0	110.6	L146 E195 D196 L197	L146-T193 HydrophobicContact CD2-CG2 3.8Å; T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-N 3.43Å; T193-D196 PolarHBondContact N-OD2 3.01Å; T193-D196 PolarHBondContact O-N 3.02Å; T193-D196 VanDerWaalsContact OG1-CG 3.28Å; T193-D196 PolarHBondContact OG1-N 3.08Å; T193-D196 PolarHBondContact OG1-OD2 3.48Å; T193-L197 PolarHBondContact O-N 3.31Å
194	L	76.3	Confident	72.5	Confident	32 Å²	32	61 Å²	61	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-34.2	172.4	-176.4	66.9	0	0	0	111.7	R129 L132 E133 F136 L197 E198	R129-L194 HydrophobicContact CG-CD2 4.48Å; L132-L194 HydrophobicContact CB-CD1 4.35Å; E133-L194 HydrophobicContact CG-CD1 3.94Å; E133-L194 HydrophobicContact CG-CD2 3.65Å; E133-L194 HydrophobicContact CG-CG 4.47Å; F136-L194 HydrophobicContact CB-CD1 4.16Å; F136-L194 HydrophobicContact CG-CD1 4.28Å; L194-L197 PolarHBondContact O-N 3.3Å; L194-E198 PolarHBondContact O-N 3.33Å
195	E	77.4	Confident	71.4	Confident	147 Å²	147	58.4 Å²	58.4	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-68.3	-39.5	178.3	-63.4	-179.6	173.9	0	0	112.1	T193 L197 E198 A199	T193-E195 PolarHBondContact O-N 3.24Å; T193-E195 PolarHBondContact OG1-N 3.43Å; E195-L197 PolarHBondContact O-N 2.98Å; E195-E198 PolarHBondContact O-N 3.49Å; E195-A199 PolarHBondContact O-N 3.11Å
196	D	77.8	Confident	69.9	Low	25 Å²	25	63.4 Å²	63.4	13%	0.134	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-38.9	173.2	-61.7	-38.6	0	0	0	110.7	I185 K189 L192 T193 A199 A200	I185-D196 HydrophobicContact CD1-CB 4Å; I185-D196 HydrophobicContact CG1-CB 4.36Å; K189-D196 WeakPolarHBondContact CE-OD2 3.47Å; K189-D196 IonicContact NZ-OD1 2.88Å; K189-D196 PolarHBondContact NZ-OD1 2.88Å; K189-D196 IonicContact NZ-OD2 3.33Å; K189-D196 PolarHBondContact NZ-OD2 3.15Å; L192-D196 WeakPolarHBondContact CA-OD2 3.44Å; L192-D196 HydrophobicContact CD2-CB 4.21Å; T193-D196 PolarHBondContact N-OD2 3.01Å; T193-D196 PolarHBondContact O-N 3.02Å; T193-D196 VanDerWaalsContact OG1-CG 3.28Å; T193-D196 PolarHBondContact OG1-N 3.08Å; T193-D196 PolarHBondContact OG1-OD2 3.48Å; D196-A199 PolarHBondContact O-N 2.77Å; D196-A200 WeakPolarHBondContact O-CB 3.23Å; D196-A200 PolarHBondContact O-N 3.46Å
197	L	73.4	Confident	68.4	Low	9 Å²	9	63.3 Å²	63.3	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-74.5	-34.7	-179.8	-167.5	127.7	0	0	0	112.4	L132 F136 F152 T193 L194 E195 A199 A200 H201	L132-L197 HydrophobicContact CB-CD2 3.64Å; L132-L197 HydrophobicContact CD1-CD2 4.38Å; L132-L197 HydrophobicContact CD2-CD2 3.38Å; L132-L197 HydrophobicContact CG-CD2 3.94Å; F136-L197 HydrophobicContact CD2-CD1 4.2Å; F152-L197 HydrophobicContact CD2-CD1 3.76Å; F152-L197 HydrophobicContact CE1-CD1 4.42Å; F152-L197 HydrophobicContact CE2-CD1 3.13Å; F152-L197 HydrophobicContact CE2-CG 4.42Å; F152-L197 HydrophobicContact CZ-CD1 3.5Å; F152-L197 HydrophobicContact CZ-CG 4.46Å; T193-L197 PolarHBondContact O-N 3.31Å; L194-L197 PolarHBondContact O-N 3.3Å; E195-L197 PolarHBondContact O-N 2.98Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A200 PolarHBondContact O-N 3.04Å; L197-H201 VanDerWaalsContact O-CB 3.3Å; L197-H201 WeakPolarHBondContact O-CB 3.34Å; L197-H201 PolarHBondContact O-N 3.22Å
198	E	74.2	Confident	67.1	Low	58 Å²	58	59.2 Å²	59.2	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-40.7	169.6	-77.6	-176.1	167	0	0	111.7	R129 L132 L194 E195 H201	R129-E198 WeakPolarHBondContact CD-OE1 3.45Å; R129-E198 VanDerWaalsContact CG-OE1 3.29Å; R129-E198 WeakPolarHBondContact CG-OE1 3.34Å; L132-E198 HydrophobicContact CD1-CB 4.31Å; L132-E198 HydrophobicContact CD1-CG 3.62Å; L194-E198 PolarHBondContact O-N 3.33Å; E195-E198 PolarHBondContact O-N 3.49Å; E198-H201 PolarHBondContact O-N 2.88Å
199	A	73.6	Confident	65.8	Low	46 Å²	46	51.5 Å²	51.5	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-47.6	174.5	0	0	0	0	0	111.3	E195 D196 L197 H201 N202	E195-A199 PolarHBondContact O-N 3.11Å; D196-A199 PolarHBondContact O-N 2.77Å; L197-A199 VanDerWaalsContact C-N 3.34Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 3.01Å; A199-N202 PolarHBondContact O-N 2.75Å
200	A	69.9	Low	63.9	Low	1 Å²	1	50.2 Å²	50.2	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-30.2	178.6	0	0	0	0	0	113.4	C183 I185 D196 L197 N202 E203 F204	C183-A200 VanDerWaalsContact SG-CA 3.55Å; I185-A200 HydrophobicContact CD1-CB 4.41Å; D196-A200 WeakPolarHBondContact O-CB 3.23Å; D196-A200 PolarHBondContact O-N 3.46Å; L197-A200 PolarHBondContact O-N 3.04Å; A200-N202 VanDerWaalsContact C-N 3.26Å; A200-N202 PolarHBondContact O-N 2.85Å; A200-E203 PolarHBondContact O-N 3.43Å; A200-E203 VanDerWaalsContact O-N 3.1Å; A200-F204 VanDerWaalsContact C-CD2 3.47Å; A200-F204 HydrophobicContact CB-CD2 3.87Å; A200-F204 HydrophobicContact CB-CE2 3.53Å; A200-F204 WeakPolarHBondContact O-CD2 3.39Å; A200-F204 PolarHBondContact O-N 3.02Å
201	H	64.6	Low	62.2	Low	4 Å²	4	46.3 Å²	46.3	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-34.9	-179.1	178.8	54.4	0	0	0	113.3	T128 L132 L197 E198 A199 E203 F204 S205 F211	T128-H201 VanDerWaalsContact CG2-CD2 3.44Å; T128-H201 WeakPolarHBondContact CG2-CD2 3.5Å; T128-H201 WeakPolarHBondContact CG2-NE2 3.33Å; L132-H201 HydrophobicContact CD1-CB 3.92Å; L132-H201 HydrophobicContact CD2-CB 3.82Å; L197-H201 VanDerWaalsContact O-CB 3.3Å; L197-H201 WeakPolarHBondContact O-CB 3.34Å; L197-H201 PolarHBondContact O-N 3.22Å; E198-H201 PolarHBondContact O-N 2.88Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 3.01Å; H201-E203 VanDerWaalsContact C-N 3.31Å; H201-E203 PolarHBondContact O-N 2.83Å; H201-F204 PolarHBondContact O-N 3.12Å; H201-S205 PolarHBondContact CE1-OG 2.99Å; H201-S205 VanDerWaalsContact CE1-OG 3.3Å; H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 2.95Å; H201-S205 PolarHBondContact O-OG 3.12Å; H201-F211 AromaticContact CE1-CD2 3.88Å; H201-F211 AromaticContact ND1-CD2 3.94Å
202	N	62.9	Low	60	Low	101 Å²	101	47.5 Å²	47.5	54%	0.54	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-38.2	178	-70	-32.9	0	0	0	111.4	A199 A200 N206	A199-N202 PolarHBondContact O-N 2.75Å; A200-N202 VanDerWaalsContact C-N 3.26Å; A200-N202 PolarHBondContact O-N 2.85Å; N202-N206 PolarHBondContact O-N 2.93Å; N202-N206 PolarHBondContact O-ND2 2.94Å
203	E	60.9	Low	57.8	Low	72 Å²	72	49.4 Å²	49.4	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-77.6	-39.2	176	-74	-61.1	150.7	0	0	112.6	I179 C183 A200 H201 S205 N206 I207	I179-E203 HydrophobicContact CG2-CB 4.02Å; C183-E203 VanDerWaalsContact SG-CG 3.58Å; A200-E203 PolarHBondContact O-N 3.43Å; A200-E203 VanDerWaalsContact O-N 3.1Å; H201-E203 VanDerWaalsContact C-N 3.31Å; H201-E203 PolarHBondContact O-N 2.83Å; E203-S205 PolarHBondContact O-N 3.35Å; E203-N206 WeakPolarHBondContact O-CB 3.1Å; E203-N206 PolarHBondContact O-N 3.19Å; E203-I207 PolarHBondContact O-N 3.12Å
204	F	58.9	Low	55.4	Low	9 Å²	9	52.3 Å²	52.3	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-36.6	171.5	-73.8	-61.1	0	0	0	111.8	F152 M156 I179 A200 H201 N206 I207 G208 L209	F152-F204 HydrophobicContact CE1-CE2 4.22Å; F152-F204 HydrophobicContact CE1-CZ 4.16Å; F152-F204 HydrophobicContact CZ-CE2 4.27Å; M156-F204 HydrophobicContact CE-CD1 3.7Å; M156-F204 HydrophobicContact CE-CE1 3.4Å; M156-F204 VanDerWaalsContact CE-CE1 3.4Å; M156-F204 HydrophobicContact CE-CG 4.44Å; M156-F204 HydrophobicContact CE-CZ 3.92Å; I179-F204 HydrophobicContact CB-CE1 4.41Å; I179-F204 HydrophobicContact CB-CZ 4.49Å; I179-F204 HydrophobicContact CD1-CD1 3.59Å; I179-F204 HydrophobicContact CD1-CE1 3.31Å; I179-F204 HydrophobicContact CD1-CZ 4.17Å; I179-F204 HydrophobicContact CG1-CE1 4.41Å; I179-F204 HydrophobicContact CG2-CD1 4.3Å; I179-F204 HydrophobicContact CG2-CD2 4.38Å; I179-F204 HydrophobicContact CG2-CE1 3.95Å; I179-F204 HydrophobicContact CG2-CE2 4.05Å; I179-F204 HydrophobicContact CG2-CG 4.49Å; I179-F204 HydrophobicContact CG2-CZ 3.8Å; A200-F204 VanDerWaalsContact C-CD2 3.47Å; A200-F204 HydrophobicContact CB-CD2 3.87Å; A200-F204 HydrophobicContact CB-CE2 3.53Å; A200-F204 WeakPolarHBondContact O-CD2 3.39Å; A200-F204 PolarHBondContact O-N 3.02Å; H201-F204 PolarHBondContact O-N 3.12Å; F204-N206 VanDerWaalsContact C-N 3.28Å; F204-N206 PolarHBondContact O-N 3.25Å; F204-I207 PolarHBondContact O-N 3.23Å; F204-G208 PolarHBondContact O-N 3.39Å; F204-L209 HydrophobicContact CB-CB 4.23Å; F204-L209 HydrophobicContact CD1-CD1 4.05Å; F204-L209 WeakPolarHBondContact O-CB 3.25Å; F204-L209 PolarHBondContact O-N 2.76Å; F204-L209 VanDerWaalsContact O-N 3.07Å
205	S	49.3	Very low	53.2	Low	10 Å²	10	59.8 Å²	59.8	7%	0.07	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-33.3	174.7	-62.1	0	0	0	0	112.3	H201 E203 I207 G208 H210	H201-S205 PolarHBondContact CE1-OG 2.99Å; H201-S205 VanDerWaalsContact CE1-OG 3.3Å; H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 2.95Å; H201-S205 PolarHBondContact O-OG 3.12Å; E203-S205 PolarHBondContact O-N 3.35Å; S205-I207 VanDerWaalsContact C-N 3.3Å; S205-I207 PolarHBondContact O-N 2.91Å; S205-G208 PolarHBondContact O-N 3Å; S205-H210 PolarHBondContact O-CD2 3.36Å
206	N	42	Very low	51.1	Low	113 Å²	113	58.9 Å²	58.9	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-70.4	-25.1	176.3	-68.5	-26.5	0	0	0	112.9	N202 E203 F204 G208	N202-N206 PolarHBondContact O-N 2.93Å; N202-N206 PolarHBondContact O-ND2 2.94Å; E203-N206 WeakPolarHBondContact O-CB 3.1Å; E203-N206 PolarHBondContact O-N 3.19Å; F204-N206 VanDerWaalsContact C-N 3.28Å; F204-N206 PolarHBondContact O-N 3.25Å; N206-G208 VanDerWaalsContact C-N 3.29Å
207	I	41.2	Very low	48.7	Very low	76 Å²	76	65.7 Å²	65.7	39%	0.39	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.8	-180	-61.9	165.8	0	0	0	111.9	I179 E203 F204 S205	I179-I207 HydrophobicContact CD1-CD1 3.29Å; I179-I207 HydrophobicContact CG1-CD1 3.44Å; I179-I207 VanDerWaalsContact CG1-CD1 3.44Å; E203-I207 PolarHBondContact O-N 3.12Å; F204-I207 PolarHBondContact O-N 3.23Å; S205-I207 VanDerWaalsContact C-N 3.3Å; S205-I207 PolarHBondContact O-N 2.91Å
208	G	41	Very low	46.5	Very low	21 Å²	21	71.7 Å²	71.7	22%	0.216	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	2.7	178.2	0	0	0	0	0	114.1	F204 S205 N206 H210	F204-G208 PolarHBondContact O-N 3.39Å; S205-G208 PolarHBondContact O-N 3Å; N206-G208 VanDerWaalsContact C-N 3.29Å; G208-H210 PolarHBondContact O-N 2.89Å
209	L	42.1	Very low	44.4	Very low	18 Å²	18	75.1 Å²	75.1	9%	0.094	39%	0.389	C	S	.	.			trans	-82.2	61.9	165.1	-74.1	157.2	0	0	0	109.2	M156 F204 F211 M731	M156-L209 HydrophobicContact CE-CD1 3.74Å; F204-L209 HydrophobicContact CB-CB 4.23Å; F204-L209 HydrophobicContact CD1-CD1 4.05Å; F204-L209 WeakPolarHBondContact O-CB 3.25Å; F204-L209 PolarHBondContact O-N 2.76Å; F204-L209 VanDerWaalsContact O-N 3.07Å; L209-F211 HydrophobicContact CB-CE2 4.31Å; L209-F211 WeakPolarHBondContact O-CD2 3.43Å; L209-F211 PolarHBondContact O-N 2.74Å; L209-F211 VanDerWaalsContact O-N 3.16Å; L209-M731 HydrophobicContact CD2-CE 3.94Å
210	H	39.5	Very low	42.4	Very low	44 Å²	44	76.1 Å²	76.1	20%	0.204	39%	0.394	C	S	.	.			trans	-81.9	90.8	-175.6	-124.3	-75.9	0	0	0	110.3	S205 G208 K212 R214	S205-H210 PolarHBondContact O-CD2 3.36Å; G208-H210 PolarHBondContact O-N 2.89Å; H210-K212 PolarHBondContact ND1-O 3.41Å; H210-K212 PolarHBondContact O-N 3.29Å; H210-R214 PolarHBondContact NE2-NE 2.73Å; H210-R214 PolarHBondContact NE2-NH2 3.2Å
211	F	40.4	Very low	40.6	Very low	62 Å²	62	84.4 Å²	84.4	27%	0.272	43%	0.429	S	S	.	.			trans	-75.3	-8.4	171.8	-62	-85.7	0	0	0	113.4	L135 H201 L209	L135-F211 HydrophobicContact CD1-CD1 4Å; L135-F211 HydrophobicContact CD1-CD2 4.28Å; L135-F211 HydrophobicContact CD1-CE1 3.82Å; L135-F211 HydrophobicContact CD1-CE2 4.11Å; L135-F211 HydrophobicContact CD1-CG 4.23Å; L135-F211 HydrophobicContact CD1-CZ 3.87Å; L135-F211 HydrophobicContact CD2-CE1 4.1Å; L135-F211 HydrophobicContact CD2-CZ 4.29Å; H201-F211 AromaticContact CE1-CD2 3.88Å; H201-F211 AromaticContact ND1-CD2 3.94Å; L209-F211 HydrophobicContact CB-CE2 4.31Å; L209-F211 WeakPolarHBondContact O-CD2 3.43Å; L209-F211 PolarHBondContact O-N 2.74Å; L209-F211 VanDerWaalsContact O-N 3.16Å
212	K	34.4	Very low	39.1	Very low	103 Å²	103	86.5 Å²	86.5	45%	0.448	45%	0.447	S	S	.	.	S	Bend	trans	-102.6	109.9	176.7	-126.7	168.1	167.6	154	0	108.9	T128 H210 R214	T128-K212 HydrophobicContact CG2-CD 4.25Å; T128-K212 VanDerWaalsContact OG1-CD 3.3Å; T128-K212 WeakPolarHBondContact OG1-CD 3.31Å; T128-K212 WeakPolarHBondContact OG1-CE 3.45Å; T128-K212 PolarHBondContact OG1-NZ 3.42Å; T128-K212 VanDerWaalsContact OG1-NZ 3.14Å; H210-K212 PolarHBondContact ND1-O 3.41Å; H210-K212 PolarHBondContact O-N 3.29Å; K212-R214 PolarHBondContact O-N 3.29Å
213	G	33.8	Very low	37.6	Very low	46 Å²	46	86 Å²	86	47%	0.474	45%	0.445	S	S	.	.			trans	-56.7	109.3	166	0	0	0	0	0	109	K215	G213-K215 PolarHBondContact O-N 3.38Å
214	R	30.9	Very low	36.3	Very low	102 Å²	102	88 Å²	88	39%	0.385	46%	0.457	S	S	.	.			trans	-72.3	111	-170.4	-158.7	-170.9	-73.1	-168.7	-6.2	109.6	H210 K212 Q216	H210-R214 PolarHBondContact NE2-NE 2.73Å; H210-R214 PolarHBondContact NE2-NH2 3.2Å; K212-R214 PolarHBondContact O-N 3.29Å; R214-Q216 VanDerWaalsContact C-N 3.3Å; R214-Q216 HydrophobicContact CG-CB 4.15Å; R214-Q216 HydrophobicContact CG-CG 4.23Å; R214-Q216 PolarHBondContact O-N 3.02Å; R214-Q216 VanDerWaalsContact O-N 3.16Å
215	K	29.3	Very low	34.9	Very low	188 Å²	188	93.3 Å²	93.3	82%	0.817	48%	0.482	S	S	*	.			trans	-76.5	85.3	155.7	-78.2	-171.5	178.1	-178.2	0	107.7	G213 H217	G213-K215 PolarHBondContact O-N 3.38Å; K215-H217 PolarHBondContact O-N 3.4Å
216	Q	32.4	Very low	34	Very low	128 Å²	128	102.2 Å²	102.2	60%	0.598	51%	0.514	S	S	*	.			trans	-89.2	96.4	169.3	-127	172.2	-10.7	0	0	108.7	R214	R214-Q216 VanDerWaalsContact C-N 3.3Å; R214-Q216 HydrophobicContact CG-CB 4.15Å; R214-Q216 HydrophobicContact CG-CG 4.23Å; R214-Q216 PolarHBondContact O-N 3.02Å; R214-Q216 VanDerWaalsContact O-N 3.16Å
217	H	27.3	Very low	33.4	Very low	168 Å²	168	104.6 Å²	104.6	78%	0.778	52%	0.522	S	S	*	.			trans	-60.4	148.7	146.7	-84	-98.8	0	0	0	107.3	K215	K215-H217 PolarHBondContact O-N 3.4Å
218	V	27.7	Very low	32.9	Very low	135 Å²	135	107.5 Å²	107.5	82%	0.818	53%	0.533	S	S	*	.			trans	88.3	74	177.9	-161.6	0	0	0	0	115.2
219	L	30	Very low	32.4	Very low	130 Å²	130	109.3 Å²	109.3	68%	0.681	54%	0.543	S	S	*	.			trans	-138	119.8	134.4	-93.5	166.3	0	0	0	106.3	K221 L224	L219-K221 PolarHBondContact O-N 2.89Å; L219-L224 HydrophobicContact CB-CD1 3.75Å; L219-L224 HydrophobicContact CD1-CD1 4.35Å
220	S	31.5	Very low	32	Very low	68 Å²	68	111 Å²	111	48%	0.476	55%	0.554	S	S	.	*			trans	-54.8	133.6	-178	51.6	0	0	0	0	110.7	A222 N223	S220-A222 PolarHBondContact O-N 3.42Å; S220-N223 PolarHBondContact O-N 3.47Å
221	K	33.1	Very low	31.5	Very low	174 Å²	174	116.3 Å²	116.3	76%	0.757	58%	0.579	S	S	*	*	H	α-helix	trans	-45	-34.1	178.6	-139.1	176.3	179.4	-174.1	0	112.8	L219 N223 E225	L219-K221 PolarHBondContact O-N 2.89Å; K221-N223 PolarHBondContact O-N 3.14Å; K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 2.96Å
222	A	32.2	Very low	31.5	Very low	48 Å²	48	116.7 Å²	116.7	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-74.5	-18.1	-177.5	0	0	0	0	0	116.3	S220	S220-A222 PolarHBondContact O-N 3.42Å
223	N	31.2	Very low	31.2	Very low	90 Å²	90	115.4 Å²	115.4	48%	0.481	59%	0.587	S	S	.	*	H	α-helix	trans	-98.6	-21.7	176.4	-77.1	-13.7	0	0	0	112.6	S220 K221 E225	S220-N223 PolarHBondContact O-N 3.47Å; K221-N223 PolarHBondContact O-N 3.14Å; N223-E225 VanDerWaalsContact C-N 3.34Å
224	L	34.4	Very low	31	Very low	115 Å²	115	118 Å²	118	60%	0.602	59%	0.593	S	S	*	*	H	α-helix	trans	-70.1	-31.3	168.4	-108.5	96.2	0	0	0	112.2	L219 R226	L219-L224 HydrophobicContact CB-CD1 3.75Å; L219-L224 HydrophobicContact CD1-CD1 4.35Å; L224-R226 VanDerWaalsContact C-N 3.28Å; L224-R226 PolarHBondContact O-N 2.99Å
225	E	29.4	Very low	30.9	Very low	120 Å²	120	118.4 Å²	118.4	56%	0.561	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-12	177.5	-72.5	168.6	-177	0	0	113.5	K221 N223	K221-E225 WeakPolarHBondContact O-CG 3.38Å; K221-E225 PolarHBondContact O-N 2.96Å; N223-E225 VanDerWaalsContact C-N 3.34Å
226	R	29.2	Very low	31.1	Very low	198 Å²	198	116.2 Å²	116.2	75%	0.747	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-4.8	-173.3	-130.3	177.5	-80.4	168.6	-7	114.5	L224	L224-R226 VanDerWaalsContact C-N 3.28Å; L224-R226 PolarHBondContact O-N 2.99Å
227	Q	30.8	Very low	31.1	Very low	163 Å²	163	115.7 Å²	115.7	76%	0.762	61%	0.61	S	S	*	*	S	Bend	trans	-125.8	38.1	175	-82.6	-171.2	-30.8	0	0	111.3	S229	Q227-S229 VanDerWaalsContact C-N 3.31Å; Q227-S229 PolarHBondContact O-N 3.17Å
228	E	30.8	Very low	31.4	Very low	136 Å²	136	119 Å²	119	64%	0.636	62%	0.616	S	S	*	*			trans	-52.1	89.3	176.8	-72.7	179.6	168.3	0	0	112	V230	E228-V230 PolarHBondContact O-N 3.45Å
229	S	30.1	Very low	31.9	Very low	60 Å²	60	121.9 Å²	121.9	42%	0.42	61%	0.612	S	S	.	*			trans	-66.9	84.9	157.9	53.8	0	0	0	0	107.8	Q227 Y717	Q227-S229 VanDerWaalsContact C-N 3.31Å; Q227-S229 PolarHBondContact O-N 3.17Å; S229-Y717 WeakPolarHBondContact OG-CE1 3.32Å; S229-Y717 PolarHBondContact OG-OH 3.45Å
230	V	33.8	Very low	32.5	Very low	54 Å²	54	125.3 Å²	125.3	33%	0.327	62%	0.621	S	S	.	*			trans	46.5	82.2	149.1	-164.7	0	0	0	0	114.4	E228 W232 C752	E228-V230 PolarHBondContact O-N 3.45Å; V230-W232 HydrophobicContact CB-CZ2 4.39Å; V230-W232 HydrophobicContact CG1-CD2 3.58Å; V230-W232 VanDerWaalsContact CG1-CE2 3.48Å; V230-W232 HydrophobicContact CG1-CE3 3.66Å; V230-W232 HydrophobicContact CG1-CG 4.27Å; V230-W232 HydrophobicContact CG1-CH2 3.73Å; V230-W232 HydrophobicContact CG1-CZ2 3.62Å; V230-W232 HydrophobicContact CG1-CZ3 3.69Å; V230-W232 PolarHBondContact O-N 3.29Å; V230-W232 VanDerWaalsContact O-N 3.11Å; V230-C752 HydrophobicContact CG1-CB 4.13Å
231	E	29.4	Very low	33.2	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	63%	0.628	S	S	*	*			trans	-61.3	105.9	158.4	-77.6	-171.5	142.6	0	0	109.6	A233	E231-A233 PolarHBondContact O-N 3.41Å
232	W	39.9	Very low	34.4	Very low	70 Å²	70	122.3 Å²	122.3	27%	0.265	61%	0.612	S	S	.	*			trans	-78.3	32.7	175	-60	107.2	0	0	0	113.7	V230 N745 A748 L749 C752	V230-W232 HydrophobicContact CB-CZ2 4.39Å; V230-W232 HydrophobicContact CG1-CD2 3.58Å; V230-W232 VanDerWaalsContact CG1-CE2 3.48Å; V230-W232 HydrophobicContact CG1-CE3 3.66Å; V230-W232 HydrophobicContact CG1-CG 4.27Å; V230-W232 HydrophobicContact CG1-CH2 3.73Å; V230-W232 HydrophobicContact CG1-CZ2 3.62Å; V230-W232 HydrophobicContact CG1-CZ3 3.69Å; V230-W232 PolarHBondContact O-N 3.29Å; V230-W232 VanDerWaalsContact O-N 3.11Å; W232-N745 PolarHBondContact O-ND2 2.86Å; W232-A748 HydrophobicContact CB-CB 3.72Å; W232-A748 HydrophobicContact CD2-CB 4.11Å; W232-A748 HydrophobicContact CE3-CB 3.44Å; W232-A748 VanDerWaalsContact CE3-CB 3.44Å; W232-A748 HydrophobicContact CG-CB 4.29Å; W232-A748 HydrophobicContact CZ3-CB 4.38Å; W232-A748 WeakPolarHBondContact CZ3-O 3.4Å; W232-L749 HydrophobicContact CH2-CB 4.35Å; W232-L749 HydrophobicContact CH2-CD1 3.63Å; W232-L749 HydrophobicContact CH2-CG 4.49Å; W232-L749 HydrophobicContact CZ2-CD1 4.04Å; W232-L749 HydrophobicContact CZ3-CB 4.29Å; W232-L749 HydrophobicContact CZ3-CD1 4.39Å; W232-C752 HydrophobicContact CE3-CB 4.2Å; W232-C752 HydrophobicContact CH2-CB 3.39Å; W232-C752 HydrophobicContact CZ3-CB 3.12Å
233	A	27.6	Very low	36	Very low	75 Å²	75	127.8 Å²	127.8	62%	0.62	63%	0.628	S	S	*	*			trans	-130.5	73.2	-172.7	0	0	0	0	0	112.1	E231	E231-A233 PolarHBondContact O-N 3.41Å
234	V	29.8	Very low	37.3	Very low	101 Å²	101	130.7 Å²	130.7	61%	0.612	64%	0.636	S	S	*	*			trans	-84.6	132.4	160.8	-177.3	0	0	0	0	108.3	I236	V234-I236 PolarHBondContact O-N 3.1Å
235	P	28.5	Very low	38.1	Very low	110 Å²	110	127.9 Å²	127.9	71%	0.714	62%	0.62	S	S	*	*			trans	-64.2	131.7	-178.1	23.3	-31.3	0	0	0	111.8	V237	P235-V237 PolarHBondContact O-N 3.48Å
236	I	33.6	Very low	39.6	Very low	142 Å²	142	128.9 Å²	128.9	73%	0.728	62%	0.619	S	S	*	*			trans	-66.2	100.1	176.9	-58.4	166.8	0	0	0	108.9	V234 R238	V234-I236 PolarHBondContact O-N 3.1Å; I236-R238 HydrophobicContact CG2-CG 4.12Å; I236-R238 PolarHBondContact O-N 2.99Å
237	V	31.6	Very low	41.5	Very low	117 Å²	117	123 Å²	123	71%	0.709	60%	0.602	S	S	*	*			trans	-79.8	97.2	161.5	-177.6	0	0	0	0	107.4	P235 R239	P235-V237 PolarHBondContact O-N 3.48Å; V237-R239 VanDerWaalsContact C-N 3.26Å; V237-R239 HydrophobicContact CG1-CG 4.18Å; V237-R239 PolarHBondContact O-N 3.43Å
238	R	34.3	Very low	42.6	Very low	237 Å²	237	117.9 Å²	117.9	89%	0.894	58%	0.58	S	S	*	*			trans	-66	88.9	163	-84.1	-173.4	177.9	-179.2	0.6	108.3	I236	I236-R238 HydrophobicContact CG2-CG 4.12Å; I236-R238 PolarHBondContact O-N 2.99Å
239	R	37.8	Very low	43.5	Very low	196 Å²	196	112.2 Å²	112.2	74%	0.74	56%	0.556	S	S	*	*			trans	-76.9	134.1	166.3	-108.1	177.4	169.7	165.3	-1.5	109	V237 L241	V237-R239 VanDerWaalsContact C-N 3.26Å; V237-R239 HydrophobicContact CG1-CG 4.18Å; V237-R239 PolarHBondContact O-N 3.43Å; R239-L241 PolarHBondContact O-N 3.22Å
240	K	42.7	Very low	45.2	Very low	202 Å²	202	111.5 Å²	111.5	88%	0.878	55%	0.549	S	S	*	.			trans	-56.5	130.2	167.6	-80.4	-179.8	173.6	178.9	0	108	S242	K240-S242 PolarHBondContact O-N 3.29Å
241	L	47.1	Very low	46.8	Very low	118 Å²	118	111.7 Å²	111.7	62%	0.618	55%	0.55	S	S	*	*			trans	-51.7	111.1	179.6	-100.9	93.9	0	0	0	109.6	R239 W246	R239-L241 PolarHBondContact O-N 3.22Å; L241-W246 HydrophobicContact CD2-CB 4.26Å
242	S	57.9	Low	47.7	Very low	61 Å²	61	104.7 Å²	104.7	43%	0.427	52%	0.519	S	S	.	.			trans	-72.5	148	167.2	164.4	0	0	0	0	109.1	K240 K244 E245 W246	K240-S242 PolarHBondContact O-N 3.29Å; S242-K244 PolarHBondContact O-N 2.73Å; S242-K244 PolarHBondContact OG-N 3.22Å; S242-E245 PolarHBondContact O-N 3.2Å; S242-W246 PolarHBondContact O-N 3.44Å; S242-W246 VanDerWaalsContact O-N 3.14Å
243	F	65.5	Low	48.9	Very low	164 Å²	164	107.1 Å²	107.1	72%	0.719	53%	0.528	S	S	*	.	H	α-helix	trans	-48	-32.8	171.4	-178.3	-100.5	0	0	0	112.2	N247	F243-N247 WeakPolarHBondContact O-CB 3.19Å; F243-N247 PolarHBondContact O-N 2.75Å
244	K	58.6	Low	51	Low	150 Å²	150	107.3 Å²	107.3	65%	0.652	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-37.5	176.8	-166.7	173.2	-176.3	173.1	0	113.5	S242 N248	S242-K244 PolarHBondContact O-N 2.73Å; S242-K244 PolarHBondContact OG-N 3.22Å; K244-N248 WeakPolarHBondContact O-CB 3.41Å; K244-N248 PolarHBondContact O-N 2.78Å; K244-N248 PolarHBondContact O-OD1 3.01Å
245	E	51.9	Low	52.8	Low	56 Å²	56	107 Å²	107	26%	0.262	51%	0.51	S	S	.	.	H	α-helix	trans	-76	-34.6	178.7	-70.5	173.8	171.8	0	0	111.9	S242 A249	S242-E245 PolarHBondContact O-N 3.2Å; E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 2.93Å
246	W	61.8	Low	54.3	Low	142 Å²	142	104.2 Å²	104.2	54%	0.538	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-45.6	169.6	-178.3	83.8	0	0	0	110.9	L241 S242 N248 A249 V250	L241-W246 HydrophobicContact CD2-CB 4.26Å; S242-W246 PolarHBondContact O-N 3.44Å; S242-W246 VanDerWaalsContact O-N 3.14Å; W246-N248 VanDerWaalsContact C-N 3.34Å; W246-N248 PolarHBondContact O-N 3.48Å; W246-A249 VanDerWaalsContact O-CB 3.3Å; W246-A249 WeakPolarHBondContact O-CB 3.02Å; W246-A249 PolarHBondContact O-N 2.84Å; W246-A249 VanDerWaalsContact O-N 3.11Å; W246-V250 HydrophobicContact CD2-CG2 4.01Å; W246-V250 HydrophobicContact CE3-CG2 4.3Å; W246-V250 HydrophobicContact CH2-CG2 4.11Å; W246-V250 HydrophobicContact CZ2-CG2 3.8Å; W246-V250 HydrophobicContact CZ3-CG2 4.34Å; W246-V250 WeakPolarHBondContact O-CG2 3.35Å; W246-V250 PolarHBondContact O-N 3.26Å
247	N	68.1	Low	56.1	Low	74 Å²	74	101.4 Å²	101.4	40%	0.396	47%	0.47	S	S	.	.	H	α-helix	trans	-58.6	-45.3	175.6	-165.4	38.1	0	0	0	111.4	F243 A249 V250 T251	F243-N247 WeakPolarHBondContact O-CB 3.19Å; F243-N247 PolarHBondContact O-N 2.75Å; N247-A249 VanDerWaalsContact C-N 3.31Å; N247-A249 PolarHBondContact O-N 3.1Å; N247-V250 PolarHBondContact O-N 3.04Å; N247-T251 WeakPolarHBondContact O-CG2 3.34Å; N247-T251 PolarHBondContact O-N 2.91Å; N247-T251 PolarHBondContact O-OG1 3.37Å
248	N	53.5	Low	58.4	Low	55 Å²	55	103 Å²	103	29%	0.294	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-34.3	176.2	-70.7	-4.6	0	0	0	113.1	K244 W246 T251 S252 R786	K244-N248 WeakPolarHBondContact O-CB 3.41Å; K244-N248 PolarHBondContact O-N 2.78Å; K244-N248 PolarHBondContact O-OD1 3.01Å; W246-N248 VanDerWaalsContact C-N 3.34Å; W246-N248 PolarHBondContact O-N 3.48Å; N248-T251 VanDerWaalsContact CA-OG1 3.25Å; N248-T251 WeakPolarHBondContact CA-OG1 3.37Å; N248-T251 PolarHBondContact O-OG1 3.25Å; N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.49Å; N248-R786 HydrophobicContact CB-CG 3.93Å
249	A	49.9	Very low	60.6	Low	17 Å²	17	94 Å²	94	14%	0.14	43%	0.431	C	S	.	.	H	α-helix	trans	-65.8	-47.2	175.1	0	0	0	0	0	111.6	E245 W246 N247 S252 W253	E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 2.93Å; W246-A249 VanDerWaalsContact O-CB 3.3Å; W246-A249 WeakPolarHBondContact O-CB 3.02Å; W246-A249 PolarHBondContact O-N 2.84Å; W246-A249 VanDerWaalsContact O-N 3.11Å; N247-A249 VanDerWaalsContact C-N 3.31Å; N247-A249 PolarHBondContact O-N 3.1Å; A249-S252 PolarHBondContact O-N 3.46Å; A249-W253 WeakPolarHBondContact O-CB 3.44Å; A249-W253 PolarHBondContact O-N 3.16Å
250	V	65.4	Low	62.8	Low	46 Å²	46	87.7 Å²	87.7	28%	0.279	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-43.9	178	173.9	0	0	0	0	110	W246 N247 S252 W253 L254	W246-V250 HydrophobicContact CD2-CG2 4.01Å; W246-V250 HydrophobicContact CE3-CG2 4.3Å; W246-V250 HydrophobicContact CH2-CG2 4.11Å; W246-V250 HydrophobicContact CZ2-CG2 3.8Å; W246-V250 HydrophobicContact CZ3-CG2 4.34Å; W246-V250 WeakPolarHBondContact O-CG2 3.35Å; W246-V250 PolarHBondContact O-N 3.26Å; N247-V250 PolarHBondContact O-N 3.04Å; V250-S252 VanDerWaalsContact C-N 3.35Å; V250-S252 PolarHBondContact O-N 3.21Å; V250-W253 PolarHBondContact O-N 3.26Å; V250-L254 HydrophobicContact CG1-CD1 4.01Å; V250-L254 HydrophobicContact CG1-CG 4.34Å; V250-L254 WeakPolarHBondContact O-CB 3.31Å; V250-L254 VanDerWaalsContact O-CG 3.27Å; V250-L254 WeakPolarHBondContact O-CG 3.11Å; V250-L254 PolarHBondContact O-N 3.19Å
251	T	67	Low	65	Low	57 Å²	57	79.9 Å²	79.9	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-39.7	176	55.3	0	0	0	0	112.2	N247 N248 L254 E255	N247-T251 WeakPolarHBondContact O-CG2 3.34Å; N247-T251 PolarHBondContact O-N 2.91Å; N247-T251 PolarHBondContact O-OG1 3.37Å; N248-T251 VanDerWaalsContact CA-OG1 3.25Å; N248-T251 WeakPolarHBondContact CA-OG1 3.37Å; N248-T251 PolarHBondContact O-OG1 3.25Å; T251-L254 PolarHBondContact O-N 2.89Å; T251-E255 WeakPolarHBondContact O-CB 3.32Å; T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 2.86Å
252	S	49.4	Very low	67	Low	9 Å²	9	79 Å²	79	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-64	-46.4	175.8	-167.5	0	0	0	0	111.3	N248 A249 V250 L254 E255 D256	N248-S252 WeakPolarHBondContact O-CB 3.38Å; N248-S252 PolarHBondContact O-N 3.49Å; A249-S252 PolarHBondContact O-N 3.46Å; V250-S252 VanDerWaalsContact C-N 3.35Å; V250-S252 PolarHBondContact O-N 3.21Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-L254 PolarHBondContact O-N 2.93Å; S252-E255 PolarHBondContact O-N 3.47Å; S252-D256 VanDerWaalsContact O-CG 3.24Å; S252-D256 PolarHBondContact O-N 3.45Å
253	W	65.2	Low	68.6	Low	121 Å²	121	77.6 Å²	77.6	46%	0.458	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-42.3	177	179.1	83.9	0	0	0	112	A249 V250 E255 D256 Y257 I261	A249-W253 WeakPolarHBondContact O-CB 3.44Å; A249-W253 PolarHBondContact O-N 3.16Å; V250-W253 PolarHBondContact O-N 3.26Å; W253-E255 VanDerWaalsContact C-N 3.33Å; W253-E255 PolarHBondContact O-N 3.02Å; W253-D256 PolarHBondContact O-N 2.66Å; W253-Y257 AromaticContact CD1-CD2 3.63Å; W253-Y257 AromaticContact CD1-CE2 3.83Å; W253-Y257 HydrophobicContact CG-CD2 4.25Å; W253-Y257 AromaticContact NE1-CD2 3.52Å; W253-Y257 AromaticContact NE1-CE2 3.79Å; W253-Y257 PolarHBondContact O-N 3.04Å; W253-I261 HydrophobicContact CE3-CD1 4.13Å; W253-I261 HydrophobicContact CH2-CD1 3.71Å; W253-I261 HydrophobicContact CH2-CG1 4.17Å; W253-I261 HydrophobicContact CZ2-CD1 4.43Å; W253-I261 HydrophobicContact CZ3-CD1 3.54Å; W253-I261 HydrophobicContact CZ3-CG1 4.46Å
254	L	72.3	Confident	69.8	Low	79 Å²	79	72.1 Å²	72.1	41%	0.414	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-39.2	174.9	-74.6	173.7	0	0	0	112	V250 T251 S252 R258 I261	V250-L254 HydrophobicContact CG1-CD1 4.01Å; V250-L254 HydrophobicContact CG1-CG 4.34Å; V250-L254 WeakPolarHBondContact O-CB 3.31Å; V250-L254 VanDerWaalsContact O-CG 3.27Å; V250-L254 WeakPolarHBondContact O-CG 3.11Å; V250-L254 PolarHBondContact O-N 3.19Å; T251-L254 PolarHBondContact O-N 2.89Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-L254 PolarHBondContact O-N 2.93Å; L254-R258 WeakPolarHBondContact O-CA 3.4Å; L254-R258 VanDerWaalsContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CB 3.06Å; L254-R258 PolarHBondContact O-N 3.31Å; L254-I261 HydrophobicContact CD2-CD1 3.79Å
255	E	66.6	Low	71.5	Confident	93 Å²	93	69.6 Å²	69.6	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-69.7	-43.8	177.8	-76.9	179.6	126.5	0	0	112.2	T251 S252 W253 R258 R791	T251-E255 WeakPolarHBondContact O-CB 3.32Å; T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 2.86Å; S252-E255 PolarHBondContact O-N 3.47Å; W253-E255 VanDerWaalsContact C-N 3.33Å; W253-E255 PolarHBondContact O-N 3.02Å; E255-R258 PolarHBondContact O-N 2.94Å; E255-R791 VanDerWaalsContact CD-NH1 3.3Å; E255-R791 VanDerWaalsContact CD-NH2 3.28Å; E255-R791 IonicContact OE1-CZ 3.79Å; E255-R791 IonicContact OE1-NH1 2.74Å; E255-R791 PolarHBondContact OE1-NH1 3.2Å; E255-R791 IonicContact OE1-NH2 3.79Å; E255-R791 IonicContact OE2-CZ 3.68Å; E255-R791 IonicContact OE2-NH1 2.81Å; E255-R791 PolarHBondContact OE2-NH1 2.87Å; E255-R791 IonicContact OE2-NH2 3.51Å; E255-R791 PolarHBondContact OE2-NH2 3.25Å
256	D	59.8	Low	73.5	Confident	52 Å²	52	71.2 Å²	71.2	28%	0.278	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-40.7	-177.7	-65.8	-22.9	0	0	0	111.4	S252 W253	S252-D256 VanDerWaalsContact O-CG 3.24Å; S252-D256 PolarHBondContact O-N 3.45Å; W253-D256 PolarHBondContact O-N 2.66Å
257	Y	72.3	Confident	75.1	Confident	84 Å²	84	64.9 Å²	64.9	33%	0.329	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	11.9	179.2	-68.7	-86.8	0	0	0	113.6	W253 Q259 H260 I261	W253-Y257 AromaticContact CD1-CD2 3.63Å; W253-Y257 AromaticContact CD1-CE2 3.83Å; W253-Y257 HydrophobicContact CG-CD2 4.25Å; W253-Y257 AromaticContact NE1-CD2 3.52Å; W253-Y257 AromaticContact NE1-CE2 3.79Å; W253-Y257 PolarHBondContact O-N 3.04Å; Y257-Q259 VanDerWaalsContact C-N 3.27Å; Y257-Q259 PolarHBondContact O-N 2.95Å; Y257-Q259 VanDerWaalsContact O-N 3.1Å; Y257-H260 HydrophobicContact CD1-CB 4.4Å; Y257-H260 AromaticContact CD1-ND1 3.98Å; Y257-H260 WeakPolarHBondContact O-CB 3.4Å; Y257-H260 PolarHBondContact O-N 3.45Å; Y257-I261 WeakPolarHBondContact O-CG1 3.39Å; Y257-I261 PolarHBondContact O-N 3.09Å
258	R	79.3	Confident	76.4	Confident	150 Å²	150	64.9 Å²	64.9	57%	0.566	32%	0.321	S	S	*	.	H	α-helix	trans	-50.8	-44.8	-173.2	80.9	-174.3	174.3	-179.8	-1.8	113.2	L254 E255 I261 I262	L254-R258 WeakPolarHBondContact O-CA 3.4Å; L254-R258 VanDerWaalsContact O-CB 3.24Å; L254-R258 WeakPolarHBondContact O-CB 3.06Å; L254-R258 PolarHBondContact O-N 3.31Å; E255-R258 PolarHBondContact O-N 2.94Å; R258-I261 PolarHBondContact O-N 3.03Å; R258-I262 WeakPolarHBondContact O-CB 3.48Å; R258-I262 WeakPolarHBondContact O-CD1 3.47Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 2.84Å
259	Q	79.8	Confident	78.4	Confident	48 Å²	48	66.2 Å²	66.2	22%	0.224	33%	0.332	C	S	.	.	H	α-helix	trans	-66.4	-44.4	-177.9	-69	172.5	-16.8	0	0	110.7	Y257 C263 Q350 P353	Y257-Q259 VanDerWaalsContact C-N 3.27Å; Y257-Q259 PolarHBondContact O-N 2.95Å; Y257-Q259 VanDerWaalsContact O-N 3.1Å; Q259-C263 WeakPolarHBondContact O-CB 3.47Å; Q259-C263 PolarHBondContact O-N 3.31Å; Q259-C263 PolarHBondContact O-SG 3.11Å; Q259-Q350 VanDerWaalsContact NE2-C 3.3Å; Q259-Q350 PolarHBondContact NE2-O 3.11Å; Q259-P353 HydrophobicContact CB-CB 4.4Å; Q259-P353 HydrophobicContact CB-CG 4.21Å
260	H	85.6	Confident	80.5	Confident	64 Å²	64	69 Å²	69	30%	0.296	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-44.8	177.5	-59.5	86.4	0	0	0	111.2	Y257 C263 T264 P353 A356	Y257-H260 HydrophobicContact CD1-CB 4.4Å; Y257-H260 AromaticContact CD1-ND1 3.98Å; Y257-H260 WeakPolarHBondContact O-CB 3.4Å; Y257-H260 PolarHBondContact O-N 3.45Å; H260-C263 PolarHBondContact O-N 2.95Å; H260-T264 VanDerWaalsContact O-CB 3.23Å; H260-T264 WeakPolarHBondContact O-CB 3.41Å; H260-T264 PolarHBondContact O-N 3.39Å; H260-T264 PolarHBondContact O-OG1 2.78Å; H260-P353 WeakPolarHBondContact NE2-CB 3.31Å; H260-A356 WeakPolarHBondContact NE2-CB 3.5Å
261	I	87.3	Confident	81.8	Confident	37 Å²	37	66.8 Å²	66.8	19%	0.19	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-49.7	178.9	-66.4	166.7	0	0	0	109.9	W253 L254 Y257 R258 C263 T264 I265	W253-I261 HydrophobicContact CE3-CD1 4.13Å; W253-I261 HydrophobicContact CH2-CD1 3.71Å; W253-I261 HydrophobicContact CH2-CG1 4.17Å; W253-I261 HydrophobicContact CZ2-CD1 4.43Å; W253-I261 HydrophobicContact CZ3-CD1 3.54Å; W253-I261 HydrophobicContact CZ3-CG1 4.46Å; L254-I261 HydrophobicContact CD2-CD1 3.79Å; Y257-I261 WeakPolarHBondContact O-CG1 3.39Å; Y257-I261 PolarHBondContact O-N 3.09Å; R258-I261 PolarHBondContact O-N 3.03Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-T264 PolarHBondContact O-N 2.94Å; I261-I265 HydrophobicContact CG2-CD1 3.56Å; I261-I265 HydrophobicContact CG2-CG1 4.22Å; I261-I265 WeakPolarHBondContact O-CB 3.43Å; I261-I265 VanDerWaalsContact O-CG1 3.25Å; I261-I265 WeakPolarHBondContact O-CG1 3.04Å; I261-I265 PolarHBondContact O-N 3.42Å
262	I	89.5	Confident	83	Confident	101 Å²	101	69.2 Å²	69.2	52%	0.518	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-49.5	177.9	-69.1	164.5	0	0	0	110.3	R258 T264 I265 V266	R258-I262 WeakPolarHBondContact O-CB 3.48Å; R258-I262 WeakPolarHBondContact O-CD1 3.47Å; R258-I262 WeakPolarHBondContact O-CG1 3.42Å; R258-I262 PolarHBondContact O-N 2.84Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 2.86Å; I262-I265 PolarHBondContact O-N 3.46Å; I262-V266 HydrophobicContact CG2-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CB 3.42Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.41Å
263	C	91	Very high	85	Confident	31 Å²	31	71.3 Å²	71.3	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-61.5	-39.9	178.8	-69.2	0	0	0	0	112.3	Q259 H260 I261 F267 P353	Q259-C263 WeakPolarHBondContact O-CB 3.47Å; Q259-C263 PolarHBondContact O-N 3.31Å; Q259-C263 PolarHBondContact O-SG 3.11Å; H260-C263 PolarHBondContact O-N 2.95Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-F267 VanDerWaalsContact O-CB 3.3Å; C263-F267 WeakPolarHBondContact O-CB 3.5Å; C263-F267 PolarHBondContact O-N 3.08Å; C263-P353 VanDerWaalsContact SG-CD 3.57Å
264	T	92.1	Very high	86.1	Confident	49 Å²	49	66.2 Å²	66.2	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-42.8	178.4	-58.3	0	0	0	0	111.5	H260 I261 I262 F267 F268	H260-T264 VanDerWaalsContact O-CB 3.23Å; H260-T264 WeakPolarHBondContact O-CB 3.41Å; H260-T264 PolarHBondContact O-N 3.39Å; H260-T264 PolarHBondContact O-OG1 2.78Å; I261-T264 PolarHBondContact O-N 2.94Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 2.86Å; T264-F267 PolarHBondContact O-N 3.48Å; T264-F268 HydrophobicContact CG2-CD2 3.58Å; T264-F268 HydrophobicContact CG2-CE2 3.45Å; T264-F268 VanDerWaalsContact CG2-CE2 3.45Å; T264-F268 WeakPolarHBondContact O-CD2 3.11Å; T264-F268 PolarHBondContact O-N 2.99Å
265	I	93.6	Very high	86.9	Confident	97 Å²	97	63.4 Å²	63.4	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-48.5	174.7	-70.6	171	0	0	0	109.9	I261 I262 F267 F268 T269	I261-I265 HydrophobicContact CG2-CD1 3.56Å; I261-I265 HydrophobicContact CG2-CG1 4.22Å; I261-I265 WeakPolarHBondContact O-CB 3.43Å; I261-I265 VanDerWaalsContact O-CG1 3.25Å; I261-I265 WeakPolarHBondContact O-CG1 3.04Å; I261-I265 PolarHBondContact O-N 3.42Å; I262-I265 PolarHBondContact O-N 3.46Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 2.73Å; I265-F268 PolarHBondContact O-N 3.07Å; I265-T269 WeakPolarHBondContact O-CB 3.22Å; I265-T269 PolarHBondContact O-N 3.5Å; I265-T269 PolarHBondContact O-OG1 2.65Å
266	V	94.5	Very high	87.9	Confident	90 Å²	90	62.5 Å²	62.5	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-45.1	177.6	170.2	0	0	0	0	110.6	I262 T269 L270	I262-V266 HydrophobicContact CG2-CG2 4.29Å; I262-V266 WeakPolarHBondContact O-CB 3.42Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.26Å; I262-V266 PolarHBondContact O-N 3.41Å; V266-T269 PolarHBondContact O-N 2.71Å; V266-L270 WeakPolarHBondContact O-CB 2.89Å; V266-L270 PolarHBondContact O-N 3.3Å
267	F	95	Very high	89	Confident	8 Å²	8	64 Å²	64	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-51.5	177.6	170.5	-106	0	0	0	112.7	C263 T264 I265 T269 L270 C271 L330 F360 I364 T367	C263-F267 VanDerWaalsContact O-CB 3.3Å; C263-F267 WeakPolarHBondContact O-CB 3.5Å; C263-F267 PolarHBondContact O-N 3.08Å; T264-F267 PolarHBondContact O-N 3.48Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 2.73Å; F267-T269 VanDerWaalsContact C-N 3.34Å; F267-T269 PolarHBondContact O-N 3.43Å; F267-L270 PolarHBondContact O-N 3.07Å; F267-C271 VanDerWaalsContact CZ-SG 3.6Å; F267-C271 PolarHBondContact O-N 2.84Å; F267-C271 PolarHBondContact O-SG 3Å; F267-L330 HydrophobicContact CD2-CD1 3.88Å; F267-L330 HydrophobicContact CE2-CD1 3.88Å; F267-F360 HydrophobicContact CB-CE2 4.06Å; F267-F360 HydrophobicContact CB-CZ 3.85Å; F267-F360 HydrophobicContact CD1-CE2 4.19Å; F267-F360 HydrophobicContact CD1-CZ 4.39Å; F267-F360 HydrophobicContact CD2-CE2 4.43Å; F267-F360 AromaticContact CD2-CZ 3.83Å; F267-F360 HydrophobicContact CD2-CZ 3.83Å; F267-F360 AromaticContact CG-CE2 3.96Å; F267-F360 HydrophobicContact CG-CE2 3.96Å; F267-F360 AromaticContact CG-CZ 3.75Å; F267-F360 HydrophobicContact CG-CZ 3.75Å; F267-I364 HydrophobicContact CE2-CG1 3.85Å; F267-I364 HydrophobicContact CZ-CB 4.42Å; F267-I364 HydrophobicContact CZ-CG1 3.86Å; F267-T367 HydrophobicContact CE1-CG2 4.18Å; F267-T367 HydrophobicContact CZ-CG2 4.17Å
268	F	95.7	Very high	89.5	Confident	74 Å²	74	63.1 Å²	63.1	33%	0.325	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-35.2	178.8	-76.4	-61.9	0	0	0	112	T264 I265 L270 C271 F272 V363 T367	T264-F268 HydrophobicContact CG2-CD2 3.58Å; T264-F268 HydrophobicContact CG2-CE2 3.45Å; T264-F268 VanDerWaalsContact CG2-CE2 3.45Å; T264-F268 WeakPolarHBondContact O-CD2 3.11Å; T264-F268 PolarHBondContact O-N 2.99Å; I265-F268 PolarHBondContact O-N 3.07Å; F268-L270 VanDerWaalsContact C-N 3.32Å; F268-L270 PolarHBondContact O-N 2.76Å; F268-C271 PolarHBondContact O-N 3.37Å; F268-F272 HydrophobicContact CB-CD2 4.31Å; F268-F272 HydrophobicContact CB-CE2 4.24Å; F268-F272 WeakPolarHBondContact O-CB 3.5Å; F268-F272 WeakPolarHBondContact O-CD2 3.43Å; F268-F272 PolarHBondContact O-N 2.8Å; F268-V363 HydrophobicContact CZ-CG1 4.18Å; F268-T367 HydrophobicContact CE1-CG2 4.25Å
269	T	94.7	Very high	89.7	Confident	83 Å²	83	57.1 Å²	57.1	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-42.5	174.1	-57.2	0	0	0	0	110.5	I265 V266 F267 F272 A273	I265-T269 WeakPolarHBondContact O-CB 3.22Å; I265-T269 PolarHBondContact O-N 3.5Å; I265-T269 PolarHBondContact O-OG1 2.65Å; V266-T269 PolarHBondContact O-N 2.71Å; F267-T269 VanDerWaalsContact C-N 3.34Å; F267-T269 PolarHBondContact O-N 3.43Å; T269-F272 PolarHBondContact O-N 2.77Å; T269-A273 WeakPolarHBondContact O-CB 3.08Å; T269-A273 PolarHBondContact O-N 2.87Å
270	L	93.7	Very high	89.5	Confident	75 Å²	75	60.5 Å²	60.5	39%	0.393	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-42.6	174.7	-175	65.2	0	0	0	111.6	V266 F267 F268 A273 V274 L326	V266-L270 WeakPolarHBondContact O-CB 2.89Å; V266-L270 PolarHBondContact O-N 3.3Å; F267-L270 PolarHBondContact O-N 3.07Å; F268-L270 VanDerWaalsContact C-N 3.32Å; F268-L270 PolarHBondContact O-N 2.76Å; L270-A273 PolarHBondContact O-N 3Å; L270-V274 HydrophobicContact CD1-CG2 4.44Å; L270-V274 WeakPolarHBondContact O-CB 3.5Å; L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.17Å; L270-V274 PolarHBondContact O-N 3.2Å; L270-L326 HydrophobicContact CB-CD2 4.46Å; L270-L326 HydrophobicContact CD2-CD1 3.91Å; L270-L326 HydrophobicContact CD2-CD2 3.79Å; L270-L326 HydrophobicContact CD2-CG 4.42Å; L270-L326 HydrophobicContact CG-CD2 3.67Å
271	C	93.5	Very high	88.6	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-47.7	175.4	-66.9	0	0	0	0	111.6	F267 F268 V274 F275 V323	F267-C271 VanDerWaalsContact CZ-SG 3.6Å; F267-C271 PolarHBondContact O-N 2.84Å; F267-C271 PolarHBondContact O-SG 3Å; F268-C271 PolarHBondContact O-N 3.37Å; C271-V274 PolarHBondContact O-N 3.42Å; C271-F275 VanDerWaalsContact O-CB 3.24Å; C271-F275 WeakPolarHBondContact O-CB 3.4Å; C271-F275 PolarHBondContact O-N 3.24Å; C271-V323 HydrophobicContact CB-CG1 4.04Å; C271-V323 WeakPolarHBondContact O-CG2 3.28Å
272	F	93	Very high	87.7	Confident	107 Å²	107	57.6 Å²	57.6	47%	0.469	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-40.8	177	-75.5	-59.2	0	0	0	111.8	F268 T269 F275 F276	F268-F272 HydrophobicContact CB-CD2 4.31Å; F268-F272 HydrophobicContact CB-CE2 4.24Å; F268-F272 WeakPolarHBondContact O-CB 3.5Å; F268-F272 WeakPolarHBondContact O-CD2 3.43Å; F268-F272 PolarHBondContact O-N 2.8Å; T269-F272 PolarHBondContact O-N 2.77Å; F272-F275 PolarHBondContact O-N 2.87Å; F272-F276 HydrophobicContact CB-CD2 4.13Å; F272-F276 HydrophobicContact CB-CE2 4.27Å; F272-F276 AromaticContact CD1-CE2 3.98Å; F272-F276 HydrophobicContact CD1-CE2 3.98Å; F272-F276 HydrophobicContact CG-CE2 4.47Å; F272-F276 VanDerWaalsContact O-CB 3.32Å; F272-F276 WeakPolarHBondContact O-CB 3.5Å; F272-F276 WeakPolarHBondContact O-CD2 3.17Å; F272-F276 PolarHBondContact O-N 2.86Å
273	A	90.4	Very high	86.6	Confident	53 Å²	53	55.1 Å²	55.1	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-48.3	176.8	0	0	0	0	0	111.1	T269 L270 F276 E277	T269-A273 WeakPolarHBondContact O-CB 3.08Å; T269-A273 PolarHBondContact O-N 2.87Å; L270-A273 PolarHBondContact O-N 3Å; A273-F276 PolarHBondContact O-N 2.72Å; A273-E277 WeakPolarHBondContact O-CB 3.4Å; A273-E277 PolarHBondContact O-N 2.81Å
274	V	88.2	Confident	85.4	Confident	15 Å²	15	59.1 Å²	59.1	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.8	172.2	0	0	0	0	111.4	L270 C271 R278 A322 L326	L270-V274 HydrophobicContact CD1-CG2 4.44Å; L270-V274 WeakPolarHBondContact O-CB 3.5Å; L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.17Å; L270-V274 PolarHBondContact O-N 3.2Å; C271-V274 PolarHBondContact O-N 3.42Å; V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.3Å; V274-A322 HydrophobicContact CG1-CB 3.49Å; V274-A322 VanDerWaalsContact CG1-CB 3.49Å; V274-L326 HydrophobicContact CG2-CD2 4.35Å
275	F	89.9	Confident	83.5	Confident	20 Å²	20	59.6 Å²	59.6	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-53.7	176	-174.3	-89.2	0	0	0	111.1	C271 F272 R278 F279 F316 A319 V323 F371	C271-F275 VanDerWaalsContact O-CB 3.24Å; C271-F275 WeakPolarHBondContact O-CB 3.4Å; C271-F275 PolarHBondContact O-N 3.24Å; F272-F275 PolarHBondContact O-N 2.87Å; F275-R278 PolarHBondContact O-N 2.85Å; F275-F279 HydrophobicContact CD1-CB 4.38Å; F275-F279 HydrophobicContact CE1-CB 4.27Å; F275-F279 HydrophobicContact CE1-CD2 4.14Å; F275-F279 HydrophobicContact CE1-CG 4.3Å; F275-F279 HydrophobicContact CZ-CD2 4.37Å; F275-F279 WeakPolarHBondContact O-CB 3.15Å; F275-F279 PolarHBondContact O-N 3.41Å; F275-F316 AromaticContact CZ-CD1 3.92Å; F275-F316 HydrophobicContact CZ-CD1 3.92Å; F275-F316 HydrophobicContact CZ-CE1 4.12Å; F275-A319 HydrophobicContact CD1-CB 4.22Å; F275-A319 HydrophobicContact CD2-CB 3.51Å; F275-A319 HydrophobicContact CE1-CB 4.19Å; F275-A319 HydrophobicContact CE2-CB 3.49Å; F275-A319 VanDerWaalsContact CE2-CB 3.49Å; F275-A319 HydrophobicContact CG-CB 3.89Å; F275-A319 HydrophobicContact CZ-CB 3.84Å; F275-A319 WeakPolarHBondContact O-CB 3.45Å; F275-V323 HydrophobicContact CB-CG2 3.71Å; F275-V323 HydrophobicContact CD2-CG2 4.02Å; F275-V323 HydrophobicContact CG-CG2 4.38Å; F275-F371 HydrophobicContact CD2-CD1 4.22Å; F275-F371 AromaticContact CD2-CE1 3.55Å; F275-F371 HydrophobicContact CD2-CE1 3.55Å; F275-F371 HydrophobicContact CD2-CZ 4.41Å; F275-F371 HydrophobicContact CE2-CD1 4.29Å; F275-F371 AromaticContact CE2-CE1 3.76Å; F275-F371 HydrophobicContact CE2-CE1 3.76Å; F275-F371 HydrophobicContact CG-CE1 4.45Å
276	F	87.7	Confident	81.4	Confident	74 Å²	74	61.3 Å²	61.3	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-71.7	-35.5	-176.7	-79.2	-63.4	0	0	0	112.9	F272 A273 R278 F279 W280	F272-F276 HydrophobicContact CB-CD2 4.13Å; F272-F276 HydrophobicContact CB-CE2 4.27Å; F272-F276 AromaticContact CD1-CE2 3.98Å; F272-F276 HydrophobicContact CD1-CE2 3.98Å; F272-F276 HydrophobicContact CG-CE2 4.47Å; F272-F276 VanDerWaalsContact O-CB 3.32Å; F272-F276 WeakPolarHBondContact O-CB 3.5Å; F272-F276 WeakPolarHBondContact O-CD2 3.17Å; F272-F276 PolarHBondContact O-N 2.86Å; A273-F276 PolarHBondContact O-N 2.72Å; F276-R278 VanDerWaalsContact C-N 3.28Å; F276-R278 PolarHBondContact O-N 2.7Å; F276-F279 PolarHBondContact O-N 3.34Å; F276-W280 HydrophobicContact CB-CD2 4.17Å; F276-W280 HydrophobicContact CB-CE3 3.68Å; F276-W280 HydrophobicContact CB-CH2 3.96Å; F276-W280 HydrophobicContact CB-CZ2 4.43Å; F276-W280 HydrophobicContact CB-CZ3 3.57Å; F276-W280 HydrophobicContact CD1-CD2 4.13Å; F276-W280 AromaticContact CD1-CE2 3.68Å; F276-W280 HydrophobicContact CD1-CE3 4.35Å; F276-W280 AromaticContact CD1-CH2 3.73Å; F276-W280 HydrophobicContact CD1-CH2 3.73Å; F276-W280 AromaticContact CD1-CZ2 3.47Å; F276-W280 HydrophobicContact CD1-CZ2 3.47Å; F276-W280 VanDerWaalsContact CD1-CZ2 3.47Å; F276-W280 HydrophobicContact CD1-CZ3 4.17Å; F276-W280 HydrophobicContact CD2-CH2 4.5Å; F276-W280 HydrophobicContact CE1-CH2 4.36Å; F276-W280 AromaticContact CE1-CZ2 3.91Å; F276-W280 HydrophobicContact CE1-CZ2 3.91Å; F276-W280 HydrophobicContact CG-CE3 4.35Å; F276-W280 AromaticContact CG-CH2 3.83Å; F276-W280 HydrophobicContact CG-CH2 3.83Å; F276-W280 HydrophobicContact CG-CZ2 4.07Å; F276-W280 AromaticContact CG-CZ3 3.99Å; F276-W280 HydrophobicContact CG-CZ3 3.99Å; F276-W280 VanDerWaalsContact O-CB 3.28Å; F276-W280 WeakPolarHBondContact O-CB 3.14Å; F276-W280 PolarHBondContact O-N 3.11Å
277	E	82.5	Confident	79.4	Confident	83 Å²	83	60 Å²	60	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-55.1	-48.4	172	-172.2	-143.8	146.1	0	0	109.7	A273 S281 R288	A273-E277 WeakPolarHBondContact O-CB 3.4Å; A273-E277 PolarHBondContact O-N 2.81Å; E277-S281 WeakPolarHBondContact O-CB 3.22Å; E277-S281 PolarHBondContact O-N 2.91Å; E277-R288 IonicContact OE1-NH1 3.15Å; E277-R288 PolarHBondContact OE1-NH1 2.72Å; E277-R288 VanDerWaalsContact OE1-NH1 3.15Å
278	R	81.9	Confident	77.4	Confident	65 Å²	65	62.2 Å²	62.2	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-75	-39.5	179.9	-64.4	-59.3	-179.4	174	-0.7	112.9	V274 F275 F276 I282 A319 A322	V274-R278 WeakPolarHBondContact O-CG 3.2Å; V274-R278 PolarHBondContact O-N 3.3Å; F275-R278 PolarHBondContact O-N 2.85Å; F276-R278 VanDerWaalsContact C-N 3.28Å; F276-R278 PolarHBondContact O-N 2.7Å; R278-I282 WeakPolarHBondContact O-CD1 3.5Å; R278-I282 WeakPolarHBondContact O-CG1 3.41Å; R278-I282 PolarHBondContact O-N 2.97Å; R278-A319 HydrophobicContact CB-CB 4.39Å; R278-A322 HydrophobicContact CG-CB 3.82Å
279	F	83.6	Confident	75.2	Confident	25 Å²	25	62.7 Å²	62.7	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-49.9	178.2	-173.4	-92.4	0	0	0	111.5	F275 F276 I282 L283 F316 A319	F275-F279 HydrophobicContact CD1-CB 4.38Å; F275-F279 HydrophobicContact CE1-CB 4.27Å; F275-F279 HydrophobicContact CE1-CD2 4.14Å; F275-F279 HydrophobicContact CE1-CG 4.3Å; F275-F279 HydrophobicContact CZ-CD2 4.37Å; F275-F279 WeakPolarHBondContact O-CB 3.15Å; F275-F279 PolarHBondContact O-N 3.41Å; F276-F279 PolarHBondContact O-N 3.34Å; F279-I282 PolarHBondContact O-N 3.42Å; F279-L283 HydrophobicContact CD1-CD2 4.49Å; F279-L283 HydrophobicContact CE1-CD2 3.85Å; F279-L283 WeakPolarHBondContact O-CB 3.49Å; F279-L283 PolarHBondContact O-N 3.23Å; F279-F316 HydrophobicContact CE2-CD1 4.27Å; F279-F316 HydrophobicContact CE2-CD2 4.18Å; F279-F316 HydrophobicContact CE2-CE1 4.12Å; F279-F316 HydrophobicContact CE2-CE2 4.03Å; F279-F316 HydrophobicContact CE2-CG 4.29Å; F279-F316 AromaticContact CE2-CZ 3.99Å; F279-F316 HydrophobicContact CE2-CZ 3.99Å; F279-F316 HydrophobicContact CZ-CZ 4.42Å; F279-A319 HydrophobicContact CB-CB 3.94Å; F279-A319 HydrophobicContact CD2-CB 4.41Å
280	W	75.9	Confident	73.2	Confident	119 Å²	119	66 Å²	66	45%	0.451	33%	0.332	S	S	.	.	H	α-helix	trans	-75.5	-31.2	178.6	-68.9	-38.6	0	0	0	113.2	F276 I282 L283 F284	F276-W280 HydrophobicContact CB-CD2 4.17Å; F276-W280 HydrophobicContact CB-CE3 3.68Å; F276-W280 HydrophobicContact CB-CH2 3.96Å; F276-W280 HydrophobicContact CB-CZ2 4.43Å; F276-W280 HydrophobicContact CB-CZ3 3.57Å; F276-W280 HydrophobicContact CD1-CD2 4.13Å; F276-W280 AromaticContact CD1-CE2 3.68Å; F276-W280 HydrophobicContact CD1-CE3 4.35Å; F276-W280 AromaticContact CD1-CH2 3.73Å; F276-W280 HydrophobicContact CD1-CH2 3.73Å; F276-W280 AromaticContact CD1-CZ2 3.47Å; F276-W280 HydrophobicContact CD1-CZ2 3.47Å; F276-W280 VanDerWaalsContact CD1-CZ2 3.47Å; F276-W280 HydrophobicContact CD1-CZ3 4.17Å; F276-W280 HydrophobicContact CD2-CH2 4.5Å; F276-W280 HydrophobicContact CE1-CH2 4.36Å; F276-W280 AromaticContact CE1-CZ2 3.91Å; F276-W280 HydrophobicContact CE1-CZ2 3.91Å; F276-W280 HydrophobicContact CG-CE3 4.35Å; F276-W280 AromaticContact CG-CH2 3.83Å; F276-W280 HydrophobicContact CG-CH2 3.83Å; F276-W280 HydrophobicContact CG-CZ2 4.07Å; F276-W280 AromaticContact CG-CZ3 3.99Å; F276-W280 HydrophobicContact CG-CZ3 3.99Å; F276-W280 VanDerWaalsContact O-CB 3.28Å; F276-W280 WeakPolarHBondContact O-CB 3.14Å; F276-W280 PolarHBondContact O-N 3.11Å; W280-I282 PolarHBondContact O-N 3.41Å; W280-L283 PolarHBondContact O-N 3.22Å; W280-F284 AromaticContact CD1-CD2 3.89Å; W280-F284 HydrophobicContact CG-CD2 4.46Å; W280-F284 WeakPolarHBondContact O-CA 3.34Å; W280-F284 PolarHBondContact O-N 3.02Å
281	S	67.9	Low	71.4	Confident	24 Å²	24	68.7 Å²	68.7	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-58.8	-28	172	179.2	0	0	0	0	112.3	E277 R288	E277-S281 WeakPolarHBondContact O-CB 3.22Å; E277-S281 PolarHBondContact O-N 2.91Å; S281-R288 WeakPolarHBondContact OG-CD 3.37Å
282	I	66.9	Low	69.5	Low	15 Å²	15	70.5 Å²	70.5	8%	0.077	36%	0.358	C	S	.	.	H	α-helix	trans	-89.9	-34.7	176.1	-62.4	167.6	0	0	0	111	R278 F279 W280 R307 I314 S315 R318	R278-I282 WeakPolarHBondContact O-CD1 3.5Å; R278-I282 WeakPolarHBondContact O-CG1 3.41Å; R278-I282 PolarHBondContact O-N 2.97Å; F279-I282 PolarHBondContact O-N 3.42Å; W280-I282 PolarHBondContact O-N 3.41Å; I282-R307 WeakPolarHBondContact O-CD 3.43Å; I282-R307 PolarHBondContact O-NH1 3.05Å; I282-I314 HydrophobicContact CG2-CG2 4.23Å; I282-S315 WeakPolarHBondContact CG2-OG 3.43Å; I282-R318 HydrophobicContact CD1-CB 3.49Å; I282-R318 VanDerWaalsContact CD1-CB 3.49Å; I282-R318 HydrophobicContact CD1-CG 3.8Å
283	L	68.1	Low	67.6	Low	49 Å²	49	70.7 Å²	70.7	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-79.2	-38.2	-178.6	-170.4	64.6	0	0	0	113.9	F279 W280 R307 L312	F279-L283 HydrophobicContact CD1-CD2 4.49Å; F279-L283 HydrophobicContact CE1-CD2 3.85Å; F279-L283 WeakPolarHBondContact O-CB 3.49Å; F279-L283 PolarHBondContact O-N 3.23Å; W280-L283 PolarHBondContact O-N 3.22Å; L283-R307 PolarHBondContact O-NH1 2.78Å; L283-L312 HydrophobicContact CD1-CD2 4.36Å
284	F	64	Low	65.9	Low	116 Å²	116	77.5 Å²	77.5	51%	0.509	39%	0.39	S	S	.	.			trans	-126.4	93.1	-174.7	-66.2	-71.4	0	0	0	110	W280 N286 V287	W280-F284 AromaticContact CD1-CD2 3.89Å; W280-F284 HydrophobicContact CG-CD2 4.46Å; W280-F284 WeakPolarHBondContact O-CA 3.34Å; W280-F284 PolarHBondContact O-N 3.02Å; F284-N286 PolarHBondContact O-N 3.02Å; F284-V287 HydrophobicContact CB-CG2 3.87Å; F284-V287 PolarHBondContact O-N 3.16Å; F284-V287 VanDerWaalsContact O-N 3.11Å
285	Q	53.5	Low	64.1	Low	59 Å²	59	80.4 Å²	80.4	28%	0.276	40%	0.404	S	S	.	.	H	α-helix	trans	-55	-23.2	-177.1	-145.5	158.7	3.3	0	0	113.4	L300	Q285-L300 HydrophobicContact CG-CD2 3.8Å; Q285-L300 PolarHBondContact NE2-O 2.96Å
286	N	49.2	Very low	62.2	Low	132 Å²	132	84.6 Å²	84.6	71%	0.706	43%	0.427	S	S	*	.	H	α-helix	trans	-82.7	-17	-178.3	-64.1	-14.1	0	0	0	114.6	F284	F284-N286 PolarHBondContact O-N 3.02Å
287	V	53.3	Low	60.3	Low	63 Å²	63	88.6 Å²	88.6	38%	0.382	45%	0.445	S	S	.	.	H	α-helix	trans	-76.5	-32.8	-173.8	179.4	0	0	0	0	111.7	F284 L290 I291	F284-V287 HydrophobicContact CB-CG2 3.87Å; F284-V287 PolarHBondContact O-N 3.16Å; F284-V287 VanDerWaalsContact O-N 3.11Å; V287-L290 PolarHBondContact O-N 3.4Å; V287-I291 HydrophobicContact CG1-CD1 3.91Å
288	R	51.6	Low	58.6	Low	54 Å²	54	93.1 Å²	93.1	20%	0.204	46%	0.46	C	S	.	.	H	α-helix	trans	-73.9	-29.9	-179.6	-161.1	162.3	-170.6	92.7	6.5	113	E277 S281 L290 I291 S292	E277-R288 IonicContact OE1-NH1 3.15Å; E277-R288 PolarHBondContact OE1-NH1 2.72Å; E277-R288 VanDerWaalsContact OE1-NH1 3.15Å; S281-R288 WeakPolarHBondContact OG-CD 3.37Å; R288-L290 PolarHBondContact O-N 3.37Å; R288-I291 PolarHBondContact O-N 3.46Å; R288-S292 PolarHBondContact O-N 3Å
289	S	50.6	Low	57.1	Low	84 Å²	84	92.2 Å²	92.2	59%	0.587	46%	0.462	S	S	*	.	H	α-helix	trans	-60.7	-25.2	170.8	177.3	0	0	0	0	113.2
290	L	52.6	Low	55.5	Low	152 Å²	152	93.5 Å²	93.5	80%	0.796	47%	0.47	S	S	*	.	H	α-helix	trans	-87.9	-23.7	-179.8	-106.4	135.2	0	0	0	113.3	V287 R288	V287-L290 PolarHBondContact O-N 3.4Å; R288-L290 PolarHBondContact O-N 3.37Å
291	I	55.2	Low	54.1	Low	133 Å²	133	91.2 Å²	91.2	68%	0.682	47%	0.468	S	S	*	.	H	α-helix	trans	-106	-27.9	-171.5	-61.8	170.1	0	0	0	112.1	V287 R288	V287-I291 HydrophobicContact CG1-CD1 3.91Å; R288-I291 PolarHBondContact O-N 3.46Å
292	S	53.5	Low	53.5	Low	38 Å²	38	95 Å²	95	27%	0.266	48%	0.484	S	S	.	.			trans	-151.5	91.5	176.6	-166	0	0	0	0	111.6	R288 F294 I295	R288-S292 PolarHBondContact O-N 3Å; S292-F294 PolarHBondContact O-N 2.75Å; S292-F294 VanDerWaalsContact O-N 3.14Å; S292-I295 WeakPolarHBondContact OG-CD1 3.15Å
293	P	53.4	Low	53.1	Low	112 Å²	112	96.3 Å²	96.3	73%	0.727	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.6	178.8	-17.9	30.1	0	0	0	114.3
294	F	54	Low	52.7	Low	195 Å²	195	101.4 Å²	101.4	86%	0.855	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	1.4	-169.9	-92.9	-89.3	0	0	0	114.7	S292	S292-F294 PolarHBondContact O-N 2.75Å; S292-F294 VanDerWaalsContact O-N 3.14Å
295	I	50.7	Low	52.9	Low	76 Å²	76	100 Å²	100	39%	0.39	50%	0.503	S	S	.	.	S	Bend	trans	-110.5	92	-177.6	-59.4	176.9	0	0	0	110	S292	S292-I295 WeakPolarHBondContact OG-CD1 3.15Å
296	D	51	Low	53.9	Low	108 Å²	108	97.5 Å²	97.5	58%	0.578	49%	0.491	S	S	*	.			trans	32.3	108.1	157.4	-60.3	-29.7	0	0	0	119.6	Y298 T299	D296-Y298 PolarHBondContact O-N 3.35Å; D296-Y298 VanDerWaalsContact O-N 3.09Å; D296-T299 PolarHBondContact O-N 3.26Å; D296-T299 PolarHBondContact O-OG1 2.91Å
297	F	46.8	Very low	55.1	Low	158 Å²	158	94.8 Å²	94.8	69%	0.693	47%	0.471	S	S	*	.	H	α-helix	trans	-47.4	-31.6	164.8	179.2	-99.7	0	0	0	113.3	L300 T301	F297-L300 WeakPolarHBondContact O-CB 3.41Å; F297-L300 PolarHBondContact O-N 2.94Å; F297-T301 PolarHBondContact O-OG1 3.37Å
298	Y	47.3	Very low	56.3	Low	178 Å²	178	102.3 Å²	102.3	70%	0.698	49%	0.493	S	S	*	.	H	α-helix	trans	-67.1	-42.3	-179.4	-68.8	-76.9	0	0	0	113.6	D296 L300 T301	D296-Y298 PolarHBondContact O-N 3.35Å; D296-Y298 VanDerWaalsContact O-N 3.09Å; Y298-L300 PolarHBondContact O-N 3.23Å; Y298-T301 PolarHBondContact O-N 3.09Å; Y298-T301 PolarHBondContact O-OG1 2.76Å
299	T	50.9	Low	57.6	Low	46 Å²	46	101.1 Å²	101.1	28%	0.282	49%	0.49	S	S	.	.	H	α-helix	trans	-67.3	-21.7	176.1	33.2	0	0	0	0	113.5	D296 H303	D296-T299 PolarHBondContact O-N 3.26Å; D296-T299 PolarHBondContact O-OG1 2.91Å; T299-H303 PolarHBondContact O-CD2 2.71Å
300	L	49.3	Very low	59	Low	53 Å²	53	97.4 Å²	97.4	28%	0.277	46%	0.464	S	S	.	.	H	α-helix	trans	-75.9	-30.3	179.1	-91.7	146.4	0	0	0	113.1	Q285 F297 Y298	Q285-L300 HydrophobicContact CG-CD2 3.8Å; Q285-L300 PolarHBondContact NE2-O 2.96Å; F297-L300 WeakPolarHBondContact O-CB 3.41Å; F297-L300 PolarHBondContact O-N 2.94Å; Y298-L300 PolarHBondContact O-N 3.23Å
301	T	47	Very low	60.5	Low	70 Å²	70	91.6 Å²	91.6	43%	0.429	44%	0.44	S	S	.	.	H	α-helix	trans	-74.7	-44.9	176.1	24	0	0	0	0	112.3	F297 Y298 H303 R304	F297-T301 PolarHBondContact O-OG1 3.37Å; Y298-T301 PolarHBondContact O-N 3.09Å; Y298-T301 PolarHBondContact O-OG1 2.76Å; T301-H303 VanDerWaalsContact C-N 3.31Å; T301-H303 PolarHBondContact O-N 3.12Å; T301-R304 WeakPolarHBondContact O-CB 3.35Å; T301-R304 PolarHBondContact O-N 3.07Å; T301-R304 VanDerWaalsContact O-N 3.07Å
302	E	54.3	Low	61.9	Low	104 Å²	104	90.1 Å²	90.1	49%	0.486	43%	0.433	S	S	.	.	H	α-helix	trans	-58.2	-40.2	-176.9	-69.2	178.1	169.1	0	0	113	R304 L306	E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 2.92Å; E302-L306 WeakPolarHBondContact O-CD1 3.43Å; E302-L306 WeakPolarHBondContact O-CG 3.32Å; E302-L306 PolarHBondContact O-N 2.85Å
303	H	59.1	Low	63.5	Low	43 Å²	43	88.5 Å²	88.5	20%	0.199	42%	0.423	C	S	.	.	H	α-helix	trans	-71.5	-21.1	-179.1	-67.4	-34.4	0	0	0	113.9	T299 T301 R307	T299-H303 PolarHBondContact O-CD2 2.71Å; T301-H303 VanDerWaalsContact C-N 3.31Å; T301-H303 PolarHBondContact O-N 3.12Å; H303-R307 WeakPolarHBondContact O-CB 3.3Å; H303-R307 PolarHBondContact O-N 3.38Å
304	R	59.6	Low	65	Low	156 Å²	156	83.3 Å²	83.3	59%	0.589	39%	0.389	S	S	*	.	H	α-helix	trans	-71.6	-43.6	179.4	-164.4	179.4	178.1	177.9	-0.8	111.2	T301 E302 R308	T301-R304 WeakPolarHBondContact O-CB 3.35Å; T301-R304 PolarHBondContact O-N 3.07Å; T301-R304 VanDerWaalsContact O-N 3.07Å; E302-R304 VanDerWaalsContact C-N 3.29Å; E302-R304 PolarHBondContact O-N 2.92Å; R304-R308 PolarHBondContact O-N 2.81Å
305	D	67.3	Low	66.6	Low	85 Å²	85	74 Å²	74	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-74.1	-41.6	-177.2	-64.2	-30.8	0	0	0	111.2	R307 R308 I309 L397	D305-R307 VanDerWaalsContact C-N 3.31Å; D305-R307 PolarHBondContact O-N 2.88Å; D305-R308 WeakPolarHBondContact O-CB 3.49Å; D305-R308 PolarHBondContact O-N 2.77Å; D305-R308 VanDerWaalsContact O-N 3.15Å; D305-I309 PolarHBondContact O-N 3.36Å; D305-L397 HydrophobicContact CB-CD1 3.78Å
306	L	74.5	Confident	68.5	Low	7 Å²	7	74.2 Å²	74.2	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-55.6	-43.5	172.4	-77.3	163.5	0	0	0	112.3	E302 R308 I309 M310 L397 F398 V473	E302-L306 WeakPolarHBondContact O-CD1 3.43Å; E302-L306 WeakPolarHBondContact O-CG 3.32Å; E302-L306 PolarHBondContact O-N 2.85Å; L306-R308 PolarHBondContact O-N 2.8Å; L306-I309 PolarHBondContact O-N 2.92Å; L306-M310 HydrophobicContact CB-SD 4.33Å; L306-M310 HydrophobicContact CD2-SD 3.64Å; L306-M310 VanDerWaalsContact O-CB 3.29Å; L306-M310 WeakPolarHBondContact O-CB 3.27Å; L306-M310 VanDerWaalsContact O-CG 3.3Å; L306-M310 WeakPolarHBondContact O-CG 3.21Å; L306-M310 PolarHBondContact O-N 3.45Å; L306-L397 HydrophobicContact CD2-CD1 4.29Å; L306-L397 HydrophobicContact CD2-CD2 3.46Å; L306-L397 VanDerWaalsContact CD2-CD2 3.46Å; L306-L397 HydrophobicContact CD2-CG 3.77Å; L306-L397 HydrophobicContact CG-CD1 4.02Å; L306-L397 HydrophobicContact CG-CD2 4.01Å; L306-L397 HydrophobicContact CG-CG 4.07Å; L306-F398 HydrophobicContact CD2-CE1 3.94Å; L306-F398 HydrophobicContact CD2-CZ 3.72Å; L306-V473 HydrophobicContact CD1-CG1 4.17Å
307	R	76.3	Confident	70.4	Confident	76 Å²	76	69.1 Å²	69.1	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-68.6	-33.3	179.9	-168	-175.7	73.9	-175.1	11.3	112.9	I282 L283 H303 D305 I309 G311 I314	I282-R307 WeakPolarHBondContact O-CD 3.43Å; I282-R307 PolarHBondContact O-NH1 3.05Å; L283-R307 PolarHBondContact O-NH1 2.78Å; H303-R307 WeakPolarHBondContact O-CB 3.3Å; H303-R307 PolarHBondContact O-N 3.38Å; D305-R307 VanDerWaalsContact C-N 3.31Å; D305-R307 PolarHBondContact O-N 2.88Å; R307-I309 PolarHBondContact O-N 3.01Å; R307-G311 WeakPolarHBondContact O-CA 3.34Å; R307-G311 PolarHBondContact O-N 3.28Å; R307-I314 HydrophobicContact CB-CG2 4.38Å; R307-I314 HydrophobicContact CG-CG2 4.47Å
308	R	77.1	Confident	72.4	Confident	220 Å²	220	64 Å²	64	83%	0.83	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-36.6	178	-173.2	178.1	180	-179.6	-1.9	111.4	R304 D305 L306	R304-R308 PolarHBondContact O-N 2.81Å; D305-R308 WeakPolarHBondContact O-CB 3.49Å; D305-R308 PolarHBondContact O-N 2.77Å; D305-R308 VanDerWaalsContact O-N 3.15Å; L306-R308 PolarHBondContact O-N 2.8Å
309	I	78.6	Confident	74.4	Confident	30 Å²	30	55.6 Å²	55.6	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-83.8	-50.3	-179.8	-68.6	162.3	0	0	0	111.2	D305 L306 R307 H385 I386 Q389 L397	D305-I309 PolarHBondContact O-N 3.36Å; L306-I309 PolarHBondContact O-N 2.92Å; R307-I309 PolarHBondContact O-N 3.01Å; I309-H385 WeakPolarHBondContact O-CB 3.39Å; I309-I386 HydrophobicContact CG2-CG1 4.42Å; I309-Q389 HydrophobicContact CB-CG 4.42Å; I309-Q389 HydrophobicContact CG1-CG 4.19Å; I309-Q389 HydrophobicContact CG2-CG 3.45Å; I309-Q389 VanDerWaalsContact CG2-CG 3.45Å; I309-L397 HydrophobicContact CD1-CD2 3.71Å
310	M	81.7	Confident	76.4	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-92.4	-5.7	-166.9	-55.3	170.5	73.2	0	0	113.4	L306 G313 I314 N382 I386 F398	L306-M310 HydrophobicContact CB-SD 4.33Å; L306-M310 HydrophobicContact CD2-SD 3.64Å; L306-M310 VanDerWaalsContact O-CB 3.29Å; L306-M310 WeakPolarHBondContact O-CB 3.27Å; L306-M310 VanDerWaalsContact O-CG 3.3Å; L306-M310 WeakPolarHBondContact O-CG 3.21Å; L306-M310 PolarHBondContact O-N 3.45Å; M310-G313 PolarHBondContact O-N 3.49Å; M310-I314 HydrophobicContact CB-CB 4.03Å; M310-I314 HydrophobicContact CB-CG2 4.26Å; M310-I314 HydrophobicContact CE-CB 4.26Å; M310-I314 HydrophobicContact CE-CD1 3.77Å; M310-I314 HydrophobicContact CE-CG1 4.4Å; M310-I314 HydrophobicContact SD-CB 4.27Å; M310-I314 HydrophobicContact SD-CD1 4.13Å; M310-I314 HydrophobicContact SD-CG1 4.3Å; M310-N382 HydrophobicContact CE-CB 3.32Å; M310-I386 HydrophobicContact CE-CD1 3.66Å; M310-I386 HydrophobicContact CE-CG1 4.4Å; M310-I386 HydrophobicContact CG-CD1 4.26Å; M310-I386 HydrophobicContact CG-CG1 4.02Å; M310-I386 HydrophobicContact SD-CD1 4.05Å; M310-I386 HydrophobicContact SD-CG1 4.4Å; M310-F398 HydrophobicContact SD-CZ 4.49Å
311	G	82.4	Confident	78.5	Confident	30 Å²	30	52.1 Å²	52.1	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-137.6	178.9	0	0	0	0	0	112.9	R307 G313 I314	R307-G311 WeakPolarHBondContact O-CA 3.34Å; R307-G311 PolarHBondContact O-N 3.28Å; G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 3.23Å; G311-I314 WeakPolarHBondContact O-CG2 3.48Å
312	L	85	Confident	80.5	Confident	102 Å²	102	49.1 Å²	49.1	53%	0.534	23%	0.228	S	C	.	.	H	α-helix	trans	-74.3	-16.2	177.9	-66.6	175.2	0	0	0	113.2	L283 I314 S315 F316	L283-L312 HydrophobicContact CD1-CD2 4.36Å; L312-I314 VanDerWaalsContact C-N 3.29Å; L312-I314 PolarHBondContact O-N 2.95Å; L312-S315 WeakPolarHBondContact O-CB 3.29Å; L312-S315 PolarHBondContact O-N 3.26Å; L312-S315 VanDerWaalsContact O-N 3.16Å; L312-F316 HydrophobicContact CB-CD2 4.28Å; L312-F316 HydrophobicContact CB-CE2 4.31Å; L312-F316 WeakPolarHBondContact O-CD2 3.39Å; L312-F316 PolarHBondContact O-N 3.08Å; L312-F316 VanDerWaalsContact O-N 3.09Å
313	G	86.8	Confident	82.5	Confident	4 Å²	4	44.2 Å²	44.2	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-38.3	-176.3	0	0	0	0	0	112.6	M310 G311 F316 S317 N382	M310-G313 PolarHBondContact O-N 3.49Å; G311-G313 VanDerWaalsContact C-N 3.26Å; G311-G313 PolarHBondContact O-N 3.23Å; G313-F316 PolarHBondContact O-N 3.35Å; G313-S317 WeakPolarHBondContact O-CB 3.43Å; G313-S317 PolarHBondContact O-N 3.41Å; G313-S317 PolarHBondContact O-OG 3Å; G313-N382 WeakPolarHBondContact CA-OD1 3.35Å; G313-N382 PolarHBondContact O-ND2 3.08Å
314	I	85.9	Confident	84.2	Confident	3 Å²	3	43 Å²	43	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-36.7	178	-167.9	59.2	0	0	0	112	I282 R307 M310 G311 L312 S317 R318 N382 V473	I282-I314 HydrophobicContact CG2-CG2 4.23Å; R307-I314 HydrophobicContact CB-CG2 4.38Å; R307-I314 HydrophobicContact CG-CG2 4.47Å; M310-I314 HydrophobicContact CB-CB 4.03Å; M310-I314 HydrophobicContact CB-CG2 4.26Å; M310-I314 HydrophobicContact CE-CB 4.26Å; M310-I314 HydrophobicContact CE-CD1 3.77Å; M310-I314 HydrophobicContact CE-CG1 4.4Å; M310-I314 HydrophobicContact SD-CB 4.27Å; M310-I314 HydrophobicContact SD-CD1 4.13Å; M310-I314 HydrophobicContact SD-CG1 4.3Å; G311-I314 WeakPolarHBondContact O-CG2 3.48Å; L312-I314 VanDerWaalsContact C-N 3.29Å; L312-I314 PolarHBondContact O-N 2.95Å; I314-S317 PolarHBondContact O-OG 2.91Å; I314-R318 HydrophobicContact CD1-CG 3.86Å; I314-R318 HydrophobicContact CG1-CG 4.15Å; I314-R318 VanDerWaalsContact O-CB 3.26Å; I314-R318 WeakPolarHBondContact O-CB 3.28Å; I314-R318 WeakPolarHBondContact O-CG 3.5Å; I314-R318 PolarHBondContact O-N 3.47Å; I314-N382 PolarHBondContact N-OD1 3.13Å; I314-V473 HydrophobicContact CD1-CG1 4.04Å; I314-V473 HydrophobicContact CD1-CG2 4.16Å
315	S	86.2	Confident	85.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-45.8	176.2	-56.2	0	0	0	0	110.8	I282 L312 A319	I282-S315 WeakPolarHBondContact CG2-OG 3.43Å; L312-S315 WeakPolarHBondContact O-CB 3.29Å; L312-S315 PolarHBondContact O-N 3.26Å; L312-S315 VanDerWaalsContact O-N 3.16Å; S315-A319 WeakPolarHBondContact O-CB 3.49Å; S315-A319 PolarHBondContact O-N 2.9Å
316	F	90.8	Very high	87	Confident	81 Å²	81	33.1 Å²	33.1	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-67.2	-44.7	177.4	-81.5	-71.5	0	0	0	112.7	F275 F279 L312 G313 R318 S320 V374	F275-F316 AromaticContact CZ-CD1 3.92Å; F275-F316 HydrophobicContact CZ-CD1 3.92Å; F275-F316 HydrophobicContact CZ-CE1 4.12Å; F279-F316 HydrophobicContact CE2-CD1 4.27Å; F279-F316 HydrophobicContact CE2-CD2 4.18Å; F279-F316 HydrophobicContact CE2-CE1 4.12Å; F279-F316 HydrophobicContact CE2-CE2 4.03Å; F279-F316 HydrophobicContact CE2-CG 4.29Å; F279-F316 AromaticContact CE2-CZ 3.99Å; F279-F316 HydrophobicContact CE2-CZ 3.99Å; F279-F316 HydrophobicContact CZ-CZ 4.42Å; L312-F316 HydrophobicContact CB-CD2 4.28Å; L312-F316 HydrophobicContact CB-CE2 4.31Å; L312-F316 WeakPolarHBondContact O-CD2 3.39Å; L312-F316 PolarHBondContact O-N 3.08Å; L312-F316 VanDerWaalsContact O-N 3.09Å; G313-F316 PolarHBondContact O-N 3.35Å; F316-R318 PolarHBondContact O-N 2.97Å; F316-S320 VanDerWaalsContact O-CB 3.29Å; F316-S320 WeakPolarHBondContact O-CB 3.01Å; F316-S320 PolarHBondContact O-N 3.23Å; F316-S320 PolarHBondContact O-OG 2.93Å; F316-V374 HydrophobicContact CB-CG1 4.5Å; F316-V374 HydrophobicContact CD1-CG1 4.21Å
317	S	91.2	Very high	88.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-38.8	-178.2	68	0	0	0	0	112.2	G313 I314 S320 A321 H375 N382	G313-S317 WeakPolarHBondContact O-CB 3.43Å; G313-S317 PolarHBondContact O-N 3.41Å; G313-S317 PolarHBondContact O-OG 3Å; I314-S317 PolarHBondContact O-OG 2.91Å; S317-S320 WeakPolarHBondContact CA-OG 3.33Å; S317-S320 PolarHBondContact O-OG 2.86Å; S317-A321 VanDerWaalsContact O-CB 3.29Å; S317-A321 WeakPolarHBondContact O-CB 3.39Å; S317-A321 PolarHBondContact O-N 3.3Å; S317-H375 PolarHBondContact O-ND1 3.47Å; S317-N382 PolarHBondContact OG-ND2 3.06Å
318	R	88.3	Confident	88.9	Confident	52 Å²	52	30 Å²	30	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-74.2	-41.1	178.2	-66.8	-68.8	-66.4	177.9	0.6	113	I282 I314 F316 A321 A322 V473 S474	I282-R318 HydrophobicContact CD1-CB 3.49Å; I282-R318 VanDerWaalsContact CD1-CB 3.49Å; I282-R318 HydrophobicContact CD1-CG 3.8Å; I314-R318 HydrophobicContact CD1-CG 3.86Å; I314-R318 HydrophobicContact CG1-CG 4.15Å; I314-R318 VanDerWaalsContact O-CB 3.26Å; I314-R318 WeakPolarHBondContact O-CB 3.28Å; I314-R318 WeakPolarHBondContact O-CG 3.5Å; I314-R318 PolarHBondContact O-N 3.47Å; F316-R318 PolarHBondContact O-N 2.97Å; R318-A321 PolarHBondContact O-N 3.5Å; R318-A322 PolarHBondContact O-N 3.29Å; R318-V473 HydrophobicContact CG-CG1 4.39Å; R318-S474 PolarHBondContact NH1-OG 2.88Å; R318-S474 PolarHBondContact NH2-OG 3.41Å
319	A	89.8	Confident	89.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.4	0	0	0	0	0	111.6	F275 R278 F279 S315 A322 V323	F275-A319 HydrophobicContact CD1-CB 4.22Å; F275-A319 HydrophobicContact CD2-CB 3.51Å; F275-A319 HydrophobicContact CE1-CB 4.19Å; F275-A319 HydrophobicContact CE2-CB 3.49Å; F275-A319 VanDerWaalsContact CE2-CB 3.49Å; F275-A319 HydrophobicContact CG-CB 3.89Å; F275-A319 HydrophobicContact CZ-CB 3.84Å; F275-A319 WeakPolarHBondContact O-CB 3.45Å; R278-A319 HydrophobicContact CB-CB 4.39Å; F279-A319 HydrophobicContact CB-CB 3.94Å; F279-A319 HydrophobicContact CD2-CB 4.41Å; S315-A319 WeakPolarHBondContact O-CB 3.49Å; S315-A319 PolarHBondContact O-N 2.9Å; A319-A322 PolarHBondContact O-N 2.91Å; A319-V323 PolarHBondContact O-N 3.4Å
320	S	93.8	Very high	90.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-41.2	175.5	53.7	0	0	0	0	112.8	F316 S317 A322 V323 I324 H375	F316-S320 VanDerWaalsContact O-CB 3.29Å; F316-S320 WeakPolarHBondContact O-CB 3.01Å; F316-S320 PolarHBondContact O-N 3.23Å; F316-S320 PolarHBondContact O-OG 2.93Å; S317-S320 WeakPolarHBondContact CA-OG 3.33Å; S317-S320 PolarHBondContact O-OG 2.86Å; S320-A322 VanDerWaalsContact C-N 3.27Å; S320-A322 PolarHBondContact O-N 3.39Å; S320-V323 PolarHBondContact O-N 3.01Å; S320-V323 VanDerWaalsContact O-N 3.15Å; S320-I324 VanDerWaalsContact O-CG1 3.26Å; S320-I324 WeakPolarHBondContact O-CG1 3.29Å; S320-I324 PolarHBondContact O-N 3.35Å; S320-H375 WeakPolarHBondContact OG-CA 3.32Å; S320-H375 VanDerWaalsContact OG-CB 3.25Å; S320-H375 WeakPolarHBondContact OG-CB 3.45Å; S320-H375 PolarHBondContact OG-N 3.43Å
321	A	92	Very high	91.2	Very high	26 Å²	26	21.3 Å²	21.3	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-38.8	176.3	0	0	0	0	0	112.9	S317 R318 S325	S317-A321 VanDerWaalsContact O-CB 3.29Å; S317-A321 WeakPolarHBondContact O-CB 3.39Å; S317-A321 PolarHBondContact O-N 3.3Å; R318-A321 PolarHBondContact O-N 3.5Å; A321-S325 WeakPolarHBondContact O-CB 3.28Å; A321-S325 PolarHBondContact O-N 3.28Å; A321-S325 PolarHBondContact O-OG 3.12Å
322	A	90.6	Very high	91.8	Very high	8 Å²	8	20.9 Å²	20.9	7%	0.066	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-39.9	177.1	0	0	0	0	0	112.2	V274 R278 R318 A319 S320 S325 L326	V274-A322 HydrophobicContact CG1-CB 3.49Å; V274-A322 VanDerWaalsContact CG1-CB 3.49Å; R278-A322 HydrophobicContact CG-CB 3.82Å; R318-A322 PolarHBondContact O-N 3.29Å; A319-A322 PolarHBondContact O-N 2.91Å; S320-A322 VanDerWaalsContact C-N 3.27Å; S320-A322 PolarHBondContact O-N 3.39Å; A322-S325 PolarHBondContact O-N 3.06Å; A322-L326 PolarHBondContact O-N 3.42Å
323	V	94.5	Very high	92.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-42.6	174.8	-179.7	0	0	0	0	111.8	C271 F275 A319 S320 S325 L326 C327 F371	C271-V323 HydrophobicContact CB-CG1 4.04Å; C271-V323 WeakPolarHBondContact O-CG2 3.28Å; F275-V323 HydrophobicContact CB-CG2 3.71Å; F275-V323 HydrophobicContact CD2-CG2 4.02Å; F275-V323 HydrophobicContact CG-CG2 4.38Å; A319-V323 PolarHBondContact O-N 3.4Å; S320-V323 PolarHBondContact O-N 3.01Å; S320-V323 VanDerWaalsContact O-N 3.15Å; V323-S325 VanDerWaalsContact C-N 3.32Å; V323-S325 PolarHBondContact O-N 3.33Å; V323-L326 PolarHBondContact O-N 2.84Å; V323-C327 WeakPolarHBondContact O-CB 3.4Å; V323-C327 PolarHBondContact O-N 3.39Å; V323-C327 PolarHBondContact O-SG 2.96Å; V323-F371 HydrophobicContact CB-CD1 4.2Å; V323-F371 HydrophobicContact CB-CD2 4.24Å; V323-F371 HydrophobicContact CB-CE1 4.45Å; V323-F371 HydrophobicContact CB-CE2 4.49Å; V323-F371 HydrophobicContact CB-CG 4.09Å; V323-F371 HydrophobicContact CG1-CB 4.48Å; V323-F371 HydrophobicContact CG1-CD1 4.27Å; V323-F371 HydrophobicContact CG1-CD2 3.45Å; V323-F371 VanDerWaalsContact CG1-CD2 3.45Å; V323-F371 HydrophobicContact CG1-CE1 4.4Å; V323-F371 HydrophobicContact CG1-CE2 3.62Å; V323-F371 HydrophobicContact CG1-CG 3.81Å; V323-F371 HydrophobicContact CG1-CZ 4.09Å; V323-F371 HydrophobicContact CG2-CD1 4.46Å; V323-F371 HydrophobicContact CG2-CE1 4.28Å; V323-F371 HydrophobicContact CG2-CZ 4.42Å
324	I	95	Very high	92.5	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.097	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175.4	-65	161.6	0	0	0	109.9	S320 L326 C327 M328 F371 H375	S320-I324 VanDerWaalsContact O-CG1 3.26Å; S320-I324 WeakPolarHBondContact O-CG1 3.29Å; S320-I324 PolarHBondContact O-N 3.35Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 3.29Å; I324-C327 PolarHBondContact O-N 2.98Å; I324-M328 HydrophobicContact CG2-CE 4.31Å; I324-M328 HydrophobicContact CG2-CG 4.07Å; I324-M328 WeakPolarHBondContact O-CB 3.37Å; I324-M328 VanDerWaalsContact O-CG 3.23Å; I324-M328 WeakPolarHBondContact O-CG 3.45Å; I324-M328 PolarHBondContact O-N 2.88Å; I324-F371 HydrophobicContact CD1-CB 4.38Å; I324-F371 HydrophobicContact CG1-CB 3.79Å; I324-H375 HydrophobicContact CD1-CB 3.72Å
325	S	93.5	Very high	92.8	Very high	14 Å²	14	20 Å²	20	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-44.3	178.4	-60	0	0	0	0	112.1	A321 A322 V323 G329	A321-S325 WeakPolarHBondContact O-CB 3.28Å; A321-S325 PolarHBondContact O-N 3.28Å; A321-S325 PolarHBondContact O-OG 3.12Å; A322-S325 PolarHBondContact O-N 3.06Å; V323-S325 VanDerWaalsContact C-N 3.32Å; V323-S325 PolarHBondContact O-N 3.33Å; S325-G329 PolarHBondContact O-N 3.37Å; S325-G329 VanDerWaalsContact O-N 3.11Å
326	L	93.8	Very high	93.1	Very high	19 Å²	19	20 Å²	20	10%	0.099	11%	0.106	C	C	.	.	H	α-helix	trans	-61.5	-48.2	174.1	175.3	68.1	0	0	0	111.7	L270 V274 A322 V323 I324 M328 G329 L330 Y481	L270-L326 HydrophobicContact CB-CD2 4.46Å; L270-L326 HydrophobicContact CD2-CD1 3.91Å; L270-L326 HydrophobicContact CD2-CD2 3.79Å; L270-L326 HydrophobicContact CD2-CG 4.42Å; L270-L326 HydrophobicContact CG-CD2 3.67Å; V274-L326 HydrophobicContact CG2-CD2 4.35Å; A322-L326 PolarHBondContact O-N 3.42Å; V323-L326 PolarHBondContact O-N 2.84Å; I324-L326 VanDerWaalsContact C-N 3.35Å; I324-L326 PolarHBondContact O-N 3.29Å; L326-M328 PolarHBondContact O-N 3.45Å; L326-G329 PolarHBondContact O-N 3.23Å; L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CG-CD1 3.99Å; L326-L330 HydrophobicContact CG-CG 4.5Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.22Å; L326-Y481 HydrophobicContact CB-CD1 4.28Å; L326-Y481 HydrophobicContact CB-CE1 4.27Å; L326-Y481 HydrophobicContact CD1-CD1 4.47Å
327	C	96.2	Very high	92.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-43.3	179.9	-68.4	0	0	0	0	111.7	V323 I324 G329 L330 I331 I364 A368	V323-C327 WeakPolarHBondContact O-CB 3.4Å; V323-C327 PolarHBondContact O-N 3.39Å; V323-C327 PolarHBondContact O-SG 2.96Å; I324-C327 PolarHBondContact O-N 2.98Å; C327-G329 VanDerWaalsContact C-N 3.27Å; C327-G329 PolarHBondContact O-N 2.98Å; C327-L330 PolarHBondContact O-N 2.78Å; C327-I331 WeakPolarHBondContact O-CB 3.37Å; C327-I331 WeakPolarHBondContact O-CG2 3.47Å; C327-I331 PolarHBondContact O-N 2.82Å; C327-I364 HydrophobicContact CB-CG2 3.8Å; C327-I364 WeakPolarHBondContact O-CG2 3.5Å; C327-A368 HydrophobicContact CB-CB 3.87Å
328	M	94.3	Very high	92.6	Very high	16 Å²	16	20.9 Å²	20.9	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-64	-29.2	176.7	-72.2	-65.7	-176.9	0	0	112.7	I324 L326 I331 L460 Y461 F478	I324-M328 HydrophobicContact CG2-CE 4.31Å; I324-M328 HydrophobicContact CG2-CG 4.07Å; I324-M328 WeakPolarHBondContact O-CB 3.37Å; I324-M328 VanDerWaalsContact O-CG 3.23Å; I324-M328 WeakPolarHBondContact O-CG 3.45Å; I324-M328 PolarHBondContact O-N 2.88Å; L326-M328 PolarHBondContact O-N 3.45Å; M328-I331 WeakPolarHBondContact O-CG2 3.48Å; M328-L460 HydrophobicContact CE-CD2 3.76Å; M328-L460 HydrophobicContact SD-CD2 4.23Å; M328-Y461 HydrophobicContact CB-CE1 4.04Å; M328-Y461 PolarHBondContact O-OH 2.91Å; M328-Y461 HydrophobicContact SD-CE1 4.46Å; M328-F478 HydrophobicContact CB-CE2 4Å; M328-F478 HydrophobicContact CB-CZ 4.38Å
329	G	94.4	Very high	92.7	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-73.2	-50.4	170.6	0	0	0	0	0	112.4	S325 L326 C327 I331 L332 P485	S325-G329 PolarHBondContact O-N 3.37Å; S325-G329 VanDerWaalsContact O-N 3.11Å; L326-G329 PolarHBondContact O-N 3.23Å; C327-G329 VanDerWaalsContact C-N 3.27Å; C327-G329 PolarHBondContact O-N 2.98Å; G329-I331 PolarHBondContact O-N 3.49Å; G329-L332 PolarHBondContact O-N 2.87Å; G329-P485 VanDerWaalsContact O-CB 3.27Å; G329-P485 WeakPolarHBondContact O-CB 3.41Å; G329-P485 WeakPolarHBondContact O-CG 3.48Å
330	L	94.5	Very high	92.6	Very high	46 Å²	46	21.1 Å²	21.1	24%	0.241	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-34.4	-176.2	-68.7	177	0	0	0	113.3	F267 L326 C327 L332 L333 T334 I364	F267-L330 HydrophobicContact CD2-CD1 3.88Å; F267-L330 HydrophobicContact CE2-CD1 3.88Å; L326-L330 HydrophobicContact CD1-CD1 3.97Å; L326-L330 HydrophobicContact CD1-CG 4.19Å; L326-L330 HydrophobicContact CG-CD1 3.99Å; L326-L330 HydrophobicContact CG-CG 4.5Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.22Å; C327-L330 PolarHBondContact O-N 2.78Å; L330-L332 PolarHBondContact O-N 2.91Å; L330-L333 HydrophobicContact CD2-CD1 4.22Å; L330-L333 WeakPolarHBondContact O-CB 3.49Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L330-T334 PolarHBondContact O-N 2.81Å; L330-I364 HydrophobicContact CB-CD1 4.07Å
331	I	95.5	Very high	92	Very high	26 Å²	26	22.4 Å²	22.4	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-31	-179.3	-159.8	168.7	0	0	0	111.9	C327 M328 G329 T334 H361 I364 Y461	C327-I331 WeakPolarHBondContact O-CB 3.37Å; C327-I331 WeakPolarHBondContact O-CG2 3.47Å; C327-I331 PolarHBondContact O-N 2.82Å; M328-I331 WeakPolarHBondContact O-CG2 3.48Å; G329-I331 PolarHBondContact O-N 3.49Å; I331-T334 PolarHBondContact O-N 2.78Å; I331-T334 PolarHBondContact O-OG1 3.47Å; I331-H361 VanDerWaalsContact CG1-CE1 3.42Å; I331-H361 WeakPolarHBondContact CG1-CE1 3.4Å; I331-H361 WeakPolarHBondContact CG1-ND1 3.48Å; I331-I364 HydrophobicContact CB-CG2 3.87Å; I331-I364 HydrophobicContact CD1-CG2 4.41Å; I331-I364 HydrophobicContact CG1-CG2 4.29Å; I331-Y461 VanDerWaalsContact CG2-OH 3.25Å; I331-Y461 WeakPolarHBondContact CG2-OH 3.39Å
332	L	94.7	Very high	91.7	Very high	20 Å²	20	29.4 Å²	29.4	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-40.7	176	-64.9	-179.3	0	0	0	112	G329 L330 T334 V335 C336 Y461 I482 P485 V486 L489	G329-L332 PolarHBondContact O-N 2.87Å; L330-L332 PolarHBondContact O-N 2.91Å; L332-T334 PolarHBondContact O-N 3.06Å; L332-V335 PolarHBondContact O-N 3.17Å; L332-C336 PolarHBondContact O-N 3.44Å; L332-C336 PolarHBondContact O-SG 3.02Å; L332-C336 VanDerWaalsContact O-SG 3.38Å; L332-Y461 HydrophobicContact CD1-CE1 4.19Å; L332-Y461 HydrophobicContact CD2-CE2 3.71Å; L332-Y461 VanDerWaalsContact CD2-OH 3.24Å; L332-Y461 WeakPolarHBondContact CD2-OH 3.44Å; L332-Y461 HydrophobicContact CG-CE1 4.49Å; L332-Y461 HydrophobicContact CG-CE2 4.4Å; L332-Y461 VanDerWaalsContact CG-OH 3.26Å; L332-Y461 WeakPolarHBondContact CG-OH 3.5Å; L332-I482 HydrophobicContact CD1-CG1 4.28Å; L332-P485 HydrophobicContact CB-CB 4.14Å; L332-P485 HydrophobicContact CD1-CB 4.23Å; L332-V486 HydrophobicContact CD1-CG2 3.71Å; L332-L489 HydrophobicContact CD2-CD2 4.14Å
333	L	93.9	Very high	91.5	Very high	44 Å²	44	30.4 Å²	30.4	23%	0.23	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-32.6	179.5	-60.4	-179.8	0	0	0	112.1	L330 V335 C336 M339 N340 P485 I488	L330-L333 HydrophobicContact CD2-CD1 4.22Å; L330-L333 WeakPolarHBondContact O-CB 3.49Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.14Å; L333-V335 PolarHBondContact O-N 3.45Å; L333-C336 PolarHBondContact O-N 2.99Å; L333-M339 HydrophobicContact CB-CE 4.21Å; L333-M339 HydrophobicContact CD2-CE 4.4Å; L333-M339 WeakPolarHBondContact O-CE 3.31Å; L333-N340 PolarHBondContact O-ND2 3.45Å; L333-P485 HydrophobicContact CD2-CB 4.02Å; L333-P485 HydrophobicContact CD2-CG 4.45Å; L333-P485 HydrophobicContact CG-CB 4.2Å; L333-P485 HydrophobicContact CG-CG 4.42Å; L333-I488 HydrophobicContact CD2-CB 4.25Å; L333-I488 HydrophobicContact CD2-CD1 3.8Å; L333-I488 HydrophobicContact CD2-CG2 4.15Å
334	T	93.7	Very high	90.9	Very high	12 Å²	12	31.7 Å²	31.7	7%	0.074	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-21.4	176.9	68.2	0	0	0	0	113.5	L330 I331 L332 N340 F360 H361 I364	L330-T334 PolarHBondContact O-N 2.81Å; I331-T334 PolarHBondContact O-N 2.78Å; I331-T334 PolarHBondContact O-OG1 3.47Å; L332-T334 PolarHBondContact O-N 3.06Å; T334-N340 PolarHBondContact O-ND2 3.31Å; T334-F360 HydrophobicContact CG2-CD1 3.89Å; T334-H361 HydrophobicContact CG2-CB 4.5Å; T334-H361 WeakPolarHBondContact OG1-CB 3.47Å; T334-H361 PolarHBondContact OG1-ND1 3.02Å; T334-I364 HydrophobicContact CG2-CD1 3.77Å
335	V	91.7	Very high	89.9	Confident	35 Å²	35	34.7 Å²	34.7	21%	0.212	17%	0.166	C	C	.	.	H	α-helix	trans	-94.2	-13.8	-178.2	-174.7	0	0	0	0	112.2	L332 L333 R337	L332-V335 PolarHBondContact O-N 3.17Å; L333-V335 PolarHBondContact O-N 3.45Å; V335-R337 PolarHBondContact O-N 2.93Å
336	C	92	Very high	89.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.			trans	-72	88.4	177.9	-62.2	0	0	0	0	111.4	L332 L333 M339 N340 D492	L332-C336 PolarHBondContact O-N 3.44Å; L332-C336 PolarHBondContact O-SG 3.02Å; L332-C336 VanDerWaalsContact O-SG 3.38Å; L333-C336 PolarHBondContact O-N 2.99Å; C336-M339 HydrophobicContact CB-CB 3.87Å; C336-M339 HydrophobicContact CB-CE 3.93Å; C336-M339 HydrophobicContact CB-SD 4.39Å; C336-N340 WeakPolarHBondContact O-CB 3.28Å; C336-N340 PolarHBondContact O-N 3.33Å; C336-N340 PolarHBondContact O-ND2 3.35Å; C336-N340 VanDerWaalsContact O-ND2 3.11Å; C336-D492 VanDerWaalsContact C-OD1 3.31Å; C336-D492 HydrophobicContact CB-CB 4.06Å
337	R	86.1	Confident	88.8	Confident	91 Å²	91	40.1 Å²	40.1	34%	0.343	20%	0.199	S	C	.	.	H	α-helix	trans	-72	-37.3	-169.8	-70.4	176.5	178.6	148.6	-3.3	113.1	V335 T341 D492 R536 Y600	V335-R337 PolarHBondContact O-N 2.93Å; R337-T341 VanDerWaalsContact O-CB 3.3Å; R337-T341 WeakPolarHBondContact O-CB 3.47Å; R337-T341 PolarHBondContact O-N 2.9Å; R337-T341 PolarHBondContact O-OG1 3.38Å; R337-D492 PolarHBondContact N-OD1 3.38Å; R337-D492 PolarHBondContact N-OD2 2.94Å; R337-R536 VanDerWaalsContact NH1-NH1 3.13Å; R337-R536 VanDerWaalsContact NH1-NH2 3.2Å; R337-Y600 HydrophobicContact CB-CD1 4.34Å; R337-Y600 HydrophobicContact CB-CE1 4.06Å
338	N	86.3	Confident	88.2	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-43	178.2	-58.5	-70.5	0	0	0	110.3	T341 W342 D492 I495 S496 R499	N338-T341 PolarHBondContact O-N 2.9Å; N338-W342 VanDerWaalsContact O-CB 3.32Å; N338-W342 WeakPolarHBondContact O-CB 3.35Å; N338-W342 PolarHBondContact O-N 3.21Å; N338-D492 WeakPolarHBondContact CA-OD1 3.47Å; N338-D492 WeakPolarHBondContact CB-OD1 3.44Å; N338-D492 PolarHBondContact N-OD1 3.27Å; N338-D492 PolarHBondContact ND2-O 3.46Å; N338-I495 HydrophobicContact CB-CG2 4.22Å; N338-S496 PolarHBondContact ND2-OG 3.41Å; N338-R499 PolarHBondContact OD1-NH1 3.36Å
339	M	89.9	Confident	87.3	Confident	40 Å²	40	44.1 Å²	44.1	20%	0.197	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-51.8	173.8	-176.9	-165.5	74	0	0	111	L333 C336 T341 W342 L343 I488 D492	L333-M339 HydrophobicContact CB-CE 4.21Å; L333-M339 HydrophobicContact CD2-CE 4.4Å; L333-M339 WeakPolarHBondContact O-CE 3.31Å; C336-M339 HydrophobicContact CB-CB 3.87Å; C336-M339 HydrophobicContact CB-CE 3.93Å; C336-M339 HydrophobicContact CB-SD 4.39Å; M339-T341 VanDerWaalsContact C-N 3.32Å; M339-T341 PolarHBondContact O-N 3.45Å; M339-W342 PolarHBondContact O-N 3.37Å; M339-L343 HydrophobicContact CE-CD1 4.11Å; M339-L343 HydrophobicContact CG-CD1 3.67Å; M339-L343 HydrophobicContact CG-CG 4.15Å; M339-L343 WeakPolarHBondContact O-CB 3.45Å; M339-L343 WeakPolarHBondContact O-CG 3.47Å; M339-L343 PolarHBondContact O-N 3.27Å; M339-L343 HydrophobicContact SD-CD1 4.12Å; M339-I488 HydrophobicContact CG-CG2 4.42Å; M339-I488 HydrophobicContact SD-CG2 3.36Å; M339-I488 WeakPolarHBondContact SD-CG2 3.39Å; M339-D492 PolarHBondContact N-OD1 2.95Å
340	N	88.1	Confident	86.2	Confident	18 Å²	18	50 Å²	50	10%	0.096	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-38.8	-179.1	-70.1	-26.8	0	0	0	112	L333 T334 C336 R344 F354	L333-N340 PolarHBondContact O-ND2 3.45Å; T334-N340 PolarHBondContact O-ND2 3.31Å; C336-N340 WeakPolarHBondContact O-CB 3.28Å; C336-N340 PolarHBondContact O-N 3.33Å; C336-N340 PolarHBondContact O-ND2 3.35Å; C336-N340 VanDerWaalsContact O-ND2 3.11Å; N340-R344 VanDerWaalsContact O-CB 3.28Å; N340-R344 WeakPolarHBondContact O-CB 3.46Å; N340-R344 PolarHBondContact O-N 2.97Å; N340-F354 HydrophobicContact CB-CD1 4.28Å
341	T	82.1	Confident	85.5	Confident	26 Å²	26	55.2 Å²	55.2	16%	0.16	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-43.5	175.4	-55	0	0	0	0	111.3	R337 N338 M339	R337-T341 VanDerWaalsContact O-CB 3.3Å; R337-T341 WeakPolarHBondContact O-CB 3.47Å; R337-T341 PolarHBondContact O-N 2.9Å; R337-T341 PolarHBondContact O-OG1 3.38Å; N338-T341 PolarHBondContact O-N 2.9Å; M339-T341 VanDerWaalsContact C-N 3.32Å; M339-T341 PolarHBondContact O-N 3.45Å
342	W	85.2	Confident	85	Confident	174 Å²	174	57 Å²	57	66%	0.659	28%	0.279	S	S	*	.	H	α-helix	trans	-66.7	-48	177.9	176.4	75.5	0	0	0	112.2	N338 M339 R344 D345 T346	N338-W342 VanDerWaalsContact O-CB 3.32Å; N338-W342 WeakPolarHBondContact O-CB 3.35Å; N338-W342 PolarHBondContact O-N 3.21Å; M339-W342 PolarHBondContact O-N 3.37Å; W342-R344 VanDerWaalsContact C-N 3.29Å; W342-R344 PolarHBondContact O-N 2.85Å; W342-D345 PolarHBondContact O-N 2.87Å; W342-T346 HydrophobicContact CZ2-CG2 4.41Å; W342-T346 WeakPolarHBondContact O-CG2 3.32Å
343	L	86.7	Confident	84.4	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.147	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-35.9	179.3	-73	173.7	0	0	0	112.3	M339 D345 T346 L348 F354	M339-L343 HydrophobicContact CE-CD1 4.11Å; M339-L343 HydrophobicContact CG-CD1 3.67Å; M339-L343 HydrophobicContact CG-CG 4.15Å; M339-L343 WeakPolarHBondContact O-CB 3.45Å; M339-L343 WeakPolarHBondContact O-CG 3.47Å; M339-L343 PolarHBondContact O-N 3.27Å; M339-L343 HydrophobicContact SD-CD1 4.12Å; L343-D345 VanDerWaalsContact C-N 3.25Å; L343-D345 PolarHBondContact O-N 3.05Å; L343-T346 WeakPolarHBondContact O-CB 3.16Å; L343-T346 PolarHBondContact O-N 2.9Å; L343-T346 VanDerWaalsContact O-N 3.08Å; L343-T346 PolarHBondContact O-OG1 3.16Å; L343-L348 HydrophobicContact CD2-CD1 3.72Å; L343-F354 HydrophobicContact CB-CD1 4.32Å; L343-F354 HydrophobicContact CB-CD2 4.26Å; L343-F354 HydrophobicContact CB-CE1 3.8Å; L343-F354 HydrophobicContact CB-CE2 3.72Å; L343-F354 HydrophobicContact CB-CZ 3.47Å; L343-F354 VanDerWaalsContact CB-CZ 3.47Å; L343-F354 HydrophobicContact CD1-CE1 3.64Å; L343-F354 HydrophobicContact CD1-CZ 3.79Å; L343-F354 HydrophobicContact CG-CE1 4.38Å; L343-F354 HydrophobicContact CG-CZ 4.2Å
344	R	81	Confident	84	Confident	27 Å²	27	56.2 Å²	56.2	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-38	176.7	-171.1	-167.4	63.3	-157.9	-9.5	112.3	N340 W342 T346 F354 D355 G601	N340-R344 VanDerWaalsContact O-CB 3.28Å; N340-R344 WeakPolarHBondContact O-CB 3.46Å; N340-R344 PolarHBondContact O-N 2.97Å; W342-R344 VanDerWaalsContact C-N 3.29Å; W342-R344 PolarHBondContact O-N 2.85Å; R344-T346 PolarHBondContact O-N 2.81Å; R344-F354 HydrophobicContact CB-CB 3.99Å; R344-F354 HydrophobicContact CB-CD2 4.14Å; R344-F354 HydrophobicContact CB-CG 4.36Å; R344-F354 HydrophobicContact CG-CB 4.32Å; R344-D355 VanDerWaalsContact CD-OD1 3.25Å; R344-D355 WeakPolarHBondContact CD-OD1 3.45Å; R344-D355 WeakPolarHBondContact CD-OD2 3.42Å; R344-D355 IonicContact CZ-OD1 3.96Å; R344-D355 IonicContact NH1-OD1 3.03Å; R344-D355 PolarHBondContact NH1-OD1 2.9Å; R344-G601 PolarHBondContact NH1-O 2.73Å; R344-G601 PolarHBondContact NH2-O 2.97Å
345	D	73.4	Confident	83	Confident	83 Å²	83	59.2 Å²	59.2	44%	0.444	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.4	-179.4	-66.8	-2.4	0	0	0	112.5	W342 L343	W342-D345 PolarHBondContact O-N 2.87Å; L343-D345 VanDerWaalsContact C-N 3.25Å; L343-D345 PolarHBondContact O-N 3.05Å
346	T	83.7	Confident	82.6	Confident	47 Å²	47	58.5 Å²	58.5	29%	0.288	29%	0.288	S	S	.	.	S	Bend	trans	-89.1	176.3	173.5	75.7	0	0	0	0	112.2	W342 L343 R344 L348 G349	W342-T346 HydrophobicContact CZ2-CG2 4.41Å; W342-T346 WeakPolarHBondContact O-CG2 3.32Å; L343-T346 WeakPolarHBondContact O-CB 3.16Å; L343-T346 PolarHBondContact O-N 2.9Å; L343-T346 VanDerWaalsContact O-N 3.08Å; L343-T346 PolarHBondContact O-OG1 3.16Å; R344-T346 PolarHBondContact O-N 2.81Å; T346-L348 PolarHBondContact O-N 2.99Å; T346-L348 VanDerWaalsContact O-N 3.07Å; T346-L348 WeakPolarHBondContact OG1-CB 3.43Å; T346-L348 PolarHBondContact OG1-N 2.77Å; T346-G349 PolarHBondContact O-N 2.88Å
347	V	82.1	Confident	82.5	Confident	99 Å²	99	59.2 Å²	59.2	60%	0.6	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-56.2	-25.1	173.7	-174.7	0	0	0	0	112.2	G349 Q350 Y351	V347-G349 VanDerWaalsContact C-N 3.26Å; V347-G349 PolarHBondContact O-N 3.32Å; V347-Q350 WeakPolarHBondContact O-CB 3.47Å; V347-Q350 PolarHBondContact O-N 2.67Å; V347-Q350 VanDerWaalsContact O-N 3.13Å; V347-Y351 HydrophobicContact CG1-CE2 4.17Å
348	L	82.1	Confident	82.5	Confident	80 Å²	80	59 Å²	59	42%	0.419	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.9	-28.5	177.3	-67.1	170.7	0	0	0	113.2	L343 T346 Q350 Y351 I352 F354	L343-L348 HydrophobicContact CD2-CD1 3.72Å; T346-L348 PolarHBondContact O-N 2.99Å; T346-L348 VanDerWaalsContact O-N 3.07Å; T346-L348 WeakPolarHBondContact OG1-CB 3.43Å; T346-L348 PolarHBondContact OG1-N 2.77Å; L348-Q350 PolarHBondContact O-N 2.83Å; L348-Q350 VanDerWaalsContact O-N 3.17Å; L348-Y351 PolarHBondContact O-N 2.87Å; L348-I352 PolarHBondContact O-N 3.04Å; L348-F354 HydrophobicContact CB-CE2 4.01Å; L348-F354 HydrophobicContact CB-CZ 4.35Å
349	G	76.1	Confident	82.6	Confident	20 Å²	20	63 Å²	63	21%	0.206	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.2	-21.1	174.8	0	0	0	0	0	113.6	T346 V347 Y351	T346-G349 PolarHBondContact O-N 2.88Å; V347-G349 VanDerWaalsContact C-N 3.26Å; V347-G349 PolarHBondContact O-N 3.32Å; G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-Y351 PolarHBondContact O-N 3.34Å
350	Q	70.6	Confident	82.8	Confident	126 Å²	126	63.8 Å²	63.8	59%	0.589	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-75.8	-17.5	174.5	-59.8	-176	3.5	0	0	113.4	Q259 V347 L348	Q259-Q350 VanDerWaalsContact NE2-C 3.3Å; Q259-Q350 PolarHBondContact NE2-O 3.11Å; V347-Q350 WeakPolarHBondContact O-CB 3.47Å; V347-Q350 PolarHBondContact O-N 2.67Å; V347-Q350 VanDerWaalsContact O-N 3.13Å; L348-Q350 PolarHBondContact O-N 2.83Å; L348-Q350 VanDerWaalsContact O-N 3.17Å
351	Y	80.2	Confident	83.1	Confident	155 Å²	155	64.2 Å²	64.2	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-37.4	-177.8	-61.3	-78.4	0	0	0	112.5	V347 L348 G349	V347-Y351 HydrophobicContact CG1-CE2 4.17Å; L348-Y351 PolarHBondContact O-N 2.87Å; G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-Y351 PolarHBondContact O-N 3.34Å
352	I	84.4	Confident	83.7	Confident	65 Å²	65	69.5 Å²	69.5	33%	0.333	35%	0.347	S	S	.	.	S	Bend	trans	-112.2	123.9	-174.8	-58	175.3	0	0	0	109.4	L348 F354	L348-I352 PolarHBondContact O-N 3.04Å; I352-F354 VanDerWaalsContact C-N 3.34Å; I352-F354 HydrophobicContact CB-CD2 4.2Å; I352-F354 HydrophobicContact CB-CE1 4.48Å; I352-F354 HydrophobicContact CB-CE2 3.71Å; I352-F354 HydrophobicContact CB-CZ 3.86Å; I352-F354 HydrophobicContact CD1-CZ 4.05Å; I352-F354 HydrophobicContact CG2-CD1 4.14Å; I352-F354 HydrophobicContact CG2-CD2 4.19Å; I352-F354 HydrophobicContact CG2-CE1 3.86Å; I352-F354 HydrophobicContact CG2-CE2 3.93Å; I352-F354 HydrophobicContact CG2-CG 4.29Å; I352-F354 HydrophobicContact CG2-CZ 3.74Å; I352-F354 VanDerWaalsContact O-CD2 3.3Å; I352-F354 WeakPolarHBondContact O-CD2 3.46Å; I352-F354 PolarHBondContact O-N 3.43Å
353	P	83.3	Confident	84.2	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.136	33%	0.33	C	S	.	.			trans	-82.1	77.6	-179.2	33.6	-31.5	0	0	0	110.6	Q259 H260 C263 D355 A356	Q259-P353 HydrophobicContact CB-CB 4.4Å; Q259-P353 HydrophobicContact CB-CG 4.21Å; H260-P353 WeakPolarHBondContact NE2-CB 3.31Å; C263-P353 VanDerWaalsContact SG-CD 3.57Å; P353-D355 PolarHBondContact O-N 3.15Å; P353-A356 HydrophobicContact CB-CB 4.38Å; P353-A356 WeakPolarHBondContact O-CB 3.43Å; P353-A356 PolarHBondContact O-N 2.96Å
354	F	84.7	Confident	84.6	Confident	26 Å²	26	62.2 Å²	62.2	11%	0.114	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.4	-26.1	-177.6	-70.2	-75.8	0	0	0	113.8	N340 L343 R344 L348 I352 A356 A357	N340-F354 HydrophobicContact CB-CD1 4.28Å; L343-F354 HydrophobicContact CB-CD1 4.32Å; L343-F354 HydrophobicContact CB-CD2 4.26Å; L343-F354 HydrophobicContact CB-CE1 3.8Å; L343-F354 HydrophobicContact CB-CE2 3.72Å; L343-F354 HydrophobicContact CB-CZ 3.47Å; L343-F354 VanDerWaalsContact CB-CZ 3.47Å; L343-F354 HydrophobicContact CD1-CE1 3.64Å; L343-F354 HydrophobicContact CD1-CZ 3.79Å; L343-F354 HydrophobicContact CG-CE1 4.38Å; L343-F354 HydrophobicContact CG-CZ 4.2Å; R344-F354 HydrophobicContact CB-CB 3.99Å; R344-F354 HydrophobicContact CB-CD2 4.14Å; R344-F354 HydrophobicContact CB-CG 4.36Å; R344-F354 HydrophobicContact CG-CB 4.32Å; L348-F354 HydrophobicContact CB-CE2 4.01Å; L348-F354 HydrophobicContact CB-CZ 4.35Å; I352-F354 VanDerWaalsContact C-N 3.34Å; I352-F354 HydrophobicContact CB-CD2 4.2Å; I352-F354 HydrophobicContact CB-CE1 4.48Å; I352-F354 HydrophobicContact CB-CE2 3.71Å; I352-F354 HydrophobicContact CB-CZ 3.86Å; I352-F354 HydrophobicContact CD1-CZ 4.05Å; I352-F354 HydrophobicContact CG2-CD1 4.14Å; I352-F354 HydrophobicContact CG2-CD2 4.19Å; I352-F354 HydrophobicContact CG2-CE1 3.86Å; I352-F354 HydrophobicContact CG2-CE2 3.93Å; I352-F354 HydrophobicContact CG2-CG 4.29Å; I352-F354 HydrophobicContact CG2-CZ 3.74Å; I352-F354 VanDerWaalsContact O-CD2 3.3Å; I352-F354 WeakPolarHBondContact O-CD2 3.46Å; I352-F354 PolarHBondContact O-N 3.43Å; F354-A356 PolarHBondContact O-N 3.45Å; F354-A357 WeakPolarHBondContact O-CB 3.39Å; F354-A357 PolarHBondContact O-N 3.38Å
355	D	73.9	Confident	85.3	Confident	75 Å²	75	61.4 Å²	61.4	40%	0.401	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-65.7	-24.5	175.2	-59.3	-57.1	0	0	0	112.1	R344 P353 A357 G603	R344-D355 VanDerWaalsContact CD-OD1 3.25Å; R344-D355 WeakPolarHBondContact CD-OD1 3.45Å; R344-D355 WeakPolarHBondContact CD-OD2 3.42Å; R344-D355 IonicContact CZ-OD1 3.96Å; R344-D355 IonicContact NH1-OD1 3.03Å; R344-D355 PolarHBondContact NH1-OD1 2.9Å; P353-D355 PolarHBondContact O-N 3.15Å; D355-A357 VanDerWaalsContact C-N 3.32Å; D355-G603 WeakPolarHBondContact OD2-CA 3.17Å
356	A	83	Confident	86.4	Confident	19 Å²	19	61.6 Å²	61.6	16%	0.157	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-88.6	10.2	174.6	0	0	0	0	0	113.5	H260 P353 F354 M358 T359 F360	H260-A356 WeakPolarHBondContact NE2-CB 3.5Å; P353-A356 HydrophobicContact CB-CB 4.38Å; P353-A356 WeakPolarHBondContact O-CB 3.43Å; P353-A356 PolarHBondContact O-N 2.96Å; F354-A356 PolarHBondContact O-N 3.45Å; A356-M358 VanDerWaalsContact C-N 3.26Å; A356-M358 PolarHBondContact O-N 2.92Å; A356-T359 WeakPolarHBondContact O-CA 3.16Å; A356-T359 WeakPolarHBondContact O-CB 3.49Å; A356-T359 PolarHBondContact O-N 3.29Å; A356-F360 PolarHBondContact O-N 3.19Å
357	A	88.8	Confident	87	Confident	15 Å²	15	59.8 Å²	59.8	12%	0.124	32%	0.316	C	S	.	.	H	α-helix	trans	-55.2	-37.7	-177.1	0	0	0	0	0	113.3	F354 D355 F360 H361	F354-A357 WeakPolarHBondContact O-CB 3.39Å; F354-A357 PolarHBondContact O-N 3.38Å; D355-A357 VanDerWaalsContact C-N 3.32Å; A357-F360 CarbonylContact O-C 3.53Å; A357-F360 PolarHBondContact O-N 2.93Å; A357-H361 WeakPolarHBondContact O-CB 3.42Å; A357-H361 PolarHBondContact O-N 3.44Å
358	M	87.3	Confident	87.7	Confident	87 Å²	87	55.2 Å²	55.2	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-74.9	-29	177.7	-165.7	59.3	61.8	0	0	113	A356 H361 K362	A356-M358 VanDerWaalsContact C-N 3.26Å; A356-M358 PolarHBondContact O-N 2.92Å; M358-H361 WeakPolarHBondContact O-CB 3.26Å; M358-H361 HydrophobicContact SD-CB 4.13Å; M358-K362 PolarHBondContact O-N 3.23Å
359	T	88.5	Confident	88.3	Confident	92 Å²	92	51.9 Å²	51.9	56%	0.564	27%	0.273	S	S	*	.	H	α-helix	trans	-68.5	-42.4	169.9	-57	0	0	0	0	109.6	A356 H361 K362 V363	A356-T359 WeakPolarHBondContact O-CA 3.16Å; A356-T359 WeakPolarHBondContact O-CB 3.49Å; A356-T359 PolarHBondContact O-N 3.29Å; T359-H361 PolarHBondContact O-N 3.08Å; T359-K362 WeakPolarHBondContact O-CB 3.38Å; T359-K362 PolarHBondContact O-N 3.09Å; T359-V363 PolarHBondContact O-N 3.4Å
360	F	93.2	Very high	89.2	Confident	56 Å²	56	56.3 Å²	56.3	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-35.5	175.6	-169.4	-123.6	0	0	0	112.7	F267 T334 A356 A357 K362 V363 I364	F267-F360 HydrophobicContact CB-CE2 4.06Å; F267-F360 HydrophobicContact CB-CZ 3.85Å; F267-F360 HydrophobicContact CD1-CE2 4.19Å; F267-F360 HydrophobicContact CD1-CZ 4.39Å; F267-F360 HydrophobicContact CD2-CE2 4.43Å; F267-F360 AromaticContact CD2-CZ 3.83Å; F267-F360 HydrophobicContact CD2-CZ 3.83Å; F267-F360 AromaticContact CG-CE2 3.96Å; F267-F360 HydrophobicContact CG-CE2 3.96Å; F267-F360 AromaticContact CG-CZ 3.75Å; F267-F360 HydrophobicContact CG-CZ 3.75Å; T334-F360 HydrophobicContact CG2-CD1 3.89Å; A356-F360 PolarHBondContact O-N 3.19Å; A357-F360 CarbonylContact O-C 3.53Å; A357-F360 PolarHBondContact O-N 2.93Å; F360-K362 VanDerWaalsContact C-N 3.25Å; F360-K362 PolarHBondContact O-N 2.85Å; F360-V363 HydrophobicContact CD2-CB 4.38Å; F360-V363 WeakPolarHBondContact O-CB 3.29Å; F360-V363 PolarHBondContact O-N 3.36Å; F360-I364 HydrophobicContact CD1-CD1 3.61Å; F360-I364 HydrophobicContact CD1-CG1 4.3Å; F360-I364 HydrophobicContact CE1-CD1 3.39Å; F360-I364 HydrophobicContact CE1-CG1 4.02Å; F360-I364 HydrophobicContact CE2-CG1 4.32Å; F360-I364 HydrophobicContact CG-CD1 4.29Å; F360-I364 HydrophobicContact CZ-CD1 3.9Å; F360-I364 HydrophobicContact CZ-CG1 4.02Å; F360-I364 WeakPolarHBondContact O-CG1 3.38Å; F360-I364 PolarHBondContact O-N 3.11Å
361	H	94.9	Very high	90.4	Very high	28 Å²	28	51.9 Å²	51.9	13%	0.13	27%	0.271	C	S	.	.	H	α-helix	trans	-52.3	-44.1	170.6	-179.7	95.3	0	0	0	111.7	I331 T334 A357 M358 T359 G365	I331-H361 VanDerWaalsContact CG1-CE1 3.42Å; I331-H361 WeakPolarHBondContact CG1-CE1 3.4Å; I331-H361 WeakPolarHBondContact CG1-ND1 3.48Å; T334-H361 HydrophobicContact CG2-CB 4.5Å; T334-H361 WeakPolarHBondContact OG1-CB 3.47Å; T334-H361 PolarHBondContact OG1-ND1 3.02Å; A357-H361 WeakPolarHBondContact O-CB 3.42Å; A357-H361 PolarHBondContact O-N 3.44Å; M358-H361 WeakPolarHBondContact O-CB 3.26Å; M358-H361 HydrophobicContact SD-CB 4.13Å; T359-H361 PolarHBondContact O-N 3.08Å; H361-G365 PolarHBondContact O-N 3.41Å
362	K	94.4	Very high	91.2	Very high	137 Å²	137	45.3 Å²	45.3	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-66.6	-40.6	176.6	-62.7	174.5	-175.6	178.9	0	111.9	M358 T359 F360 G365 V366	M358-K362 PolarHBondContact O-N 3.23Å; T359-K362 WeakPolarHBondContact O-CB 3.38Å; T359-K362 PolarHBondContact O-N 3.09Å; F360-K362 VanDerWaalsContact C-N 3.25Å; F360-K362 PolarHBondContact O-N 2.85Å; K362-G365 PolarHBondContact O-N 2.94Å; K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 2.88Å
363	V	95.3	Very high	91.7	Very high	48 Å²	48	46.9 Å²	46.9	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-46.4	177	176.4	0	0	0	0	110.9	F268 T359 F360 V366 T367	F268-V363 HydrophobicContact CZ-CG1 4.18Å; T359-V363 PolarHBondContact O-N 3.4Å; F360-V363 HydrophobicContact CD2-CB 4.38Å; F360-V363 WeakPolarHBondContact O-CB 3.29Å; F360-V363 PolarHBondContact O-N 3.36Å; V363-V366 PolarHBondContact O-N 3.39Å; V363-T367 WeakPolarHBondContact O-CB 3.3Å; V363-T367 PolarHBondContact O-N 3.36Å; V363-T367 PolarHBondContact O-OG1 2.81Å
364	I	96.6	Very high	92.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.7	-64.2	165	0	0	0	110.3	F267 C327 L330 I331 T334 F360 T367 A368	F267-I364 HydrophobicContact CE2-CG1 3.85Å; F267-I364 HydrophobicContact CZ-CB 4.42Å; F267-I364 HydrophobicContact CZ-CG1 3.86Å; C327-I364 HydrophobicContact CB-CG2 3.8Å; C327-I364 WeakPolarHBondContact O-CG2 3.5Å; L330-I364 HydrophobicContact CB-CD1 4.07Å; I331-I364 HydrophobicContact CB-CG2 3.87Å; I331-I364 HydrophobicContact CD1-CG2 4.41Å; I331-I364 HydrophobicContact CG1-CG2 4.29Å; T334-I364 HydrophobicContact CG2-CD1 3.77Å; F360-I364 HydrophobicContact CD1-CD1 3.61Å; F360-I364 HydrophobicContact CD1-CG1 4.3Å; F360-I364 HydrophobicContact CE1-CD1 3.39Å; F360-I364 HydrophobicContact CE1-CG1 4.02Å; F360-I364 HydrophobicContact CE2-CG1 4.32Å; F360-I364 HydrophobicContact CG-CD1 4.29Å; F360-I364 HydrophobicContact CZ-CD1 3.9Å; F360-I364 HydrophobicContact CZ-CG1 4.02Å; F360-I364 WeakPolarHBondContact O-CG1 3.38Å; F360-I364 PolarHBondContact O-N 3.11Å; I364-T367 PolarHBondContact O-N 2.97Å; I364-A368 WeakPolarHBondContact O-CB 3.43Å; I364-A368 PolarHBondContact O-N 3.15Å
365	G	95.6	Very high	92.8	Very high	10 Å²	10	48.7 Å²	48.7	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-47.6	177.3	0	0	0	0	0	112.8	H361 K362 T367 A368 G369 Y435	H361-G365 PolarHBondContact O-N 3.41Å; K362-G365 PolarHBondContact O-N 2.94Å; G365-T367 VanDerWaalsContact C-N 3.33Å; G365-T367 PolarHBondContact O-N 3Å; G365-A368 PolarHBondContact O-N 3.32Å; G365-G369 PolarHBondContact O-N 3.31Å; G365-Y435 PolarHBondContact O-OH 3.16Å
366	V	95.6	Very high	93.7	Very high	88 Å²	88	47.6 Å²	47.6	53%	0.533	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.2	172.7	0	0	0	0	111	K362 V363 G369 L370	K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 2.88Å; V363-V366 PolarHBondContact O-N 3.39Å; V366-G369 PolarHBondContact O-N 2.88Å; V366-L370 HydrophobicContact CG1-CD1 4.21Å; V366-L370 WeakPolarHBondContact O-CG 3.46Å; V366-L370 PolarHBondContact O-N 2.99Å
367	T	96.4	Very high	94.3	Very high	9 Å²	9	49 Å²	49	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-46.7	178.1	-54.6	0	0	0	0	111.3	F267 F268 V363 I364 G365 G369 L370 F371	F267-T367 HydrophobicContact CE1-CG2 4.18Å; F267-T367 HydrophobicContact CZ-CG2 4.17Å; F268-T367 HydrophobicContact CE1-CG2 4.25Å; V363-T367 WeakPolarHBondContact O-CB 3.3Å; V363-T367 PolarHBondContact O-N 3.36Å; V363-T367 PolarHBondContact O-OG1 2.81Å; I364-T367 PolarHBondContact O-N 2.97Å; G365-T367 VanDerWaalsContact C-N 3.33Å; G365-T367 PolarHBondContact O-N 3Å; T367-G369 VanDerWaalsContact C-N 3.34Å; T367-G369 PolarHBondContact O-N 3.03Å; T367-L370 PolarHBondContact O-N 3.32Å; T367-F371 HydrophobicContact CG2-CD2 3.86Å; T367-F371 HydrophobicContact CG2-CE2 3.85Å; T367-F371 WeakPolarHBondContact O-CD2 3.39Å; T367-F371 PolarHBondContact O-N 3.24Å
368	A	96	Very high	94.4	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-45	175.7	0	0	0	0	0	111.5	C327 I364 G365 L370 F371 T372	C327-A368 HydrophobicContact CB-CB 3.87Å; I364-A368 WeakPolarHBondContact O-CB 3.43Å; I364-A368 PolarHBondContact O-N 3.15Å; G365-A368 PolarHBondContact O-N 3.32Å; A368-L370 PolarHBondContact O-N 2.98Å; A368-F371 PolarHBondContact O-N 3.27Å; A368-T372 PolarHBondContact O-N 3.03Å; A368-T372 PolarHBondContact O-OG1 3.05Å
369	G	95.5	Very high	94.6	Very high	10 Å²	10	46.3 Å²	46.3	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-43.6	177.7	0	0	0	0	0	112.8	G365 V366 T367 T372 V373 Y435	G365-G369 PolarHBondContact O-N 3.31Å; V366-G369 PolarHBondContact O-N 2.88Å; T367-G369 VanDerWaalsContact C-N 3.34Å; T367-G369 PolarHBondContact O-N 3.03Å; G369-T372 PolarHBondContact O-N 3.34Å; G369-V373 PolarHBondContact O-N 2.86Å; G369-Y435 PolarHBondContact N-OH 2.78Å
370	L	96.2	Very high	94.7	Very high	112 Å²	112	45.5 Å²	45.5	59%	0.586	26%	0.259	S	S	*	.	H	α-helix	trans	-61.6	-46.9	176	-71	171.8	0	0	0	111.9	V366 T367 A368 T372 V373 V374	V366-L370 HydrophobicContact CG1-CD1 4.21Å; V366-L370 WeakPolarHBondContact O-CG 3.46Å; V366-L370 PolarHBondContact O-N 2.99Å; T367-L370 PolarHBondContact O-N 3.32Å; A368-L370 PolarHBondContact O-N 2.98Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.05Å; L370-V373 WeakPolarHBondContact O-CB 3.4Å; L370-V373 PolarHBondContact O-N 2.84Å; L370-V374 PolarHBondContact O-N 3.16Å
371	F	96	Very high	94.6	Very high	34 Å²	34	47 Å²	47	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-70	-28.8	178.4	-79.8	-76.5	0	0	0	112.8	F275 V323 I324 T367 A368 V373 V374 H375	F275-F371 HydrophobicContact CD2-CD1 4.22Å; F275-F371 AromaticContact CD2-CE1 3.55Å; F275-F371 HydrophobicContact CD2-CE1 3.55Å; F275-F371 HydrophobicContact CD2-CZ 4.41Å; F275-F371 HydrophobicContact CE2-CD1 4.29Å; F275-F371 AromaticContact CE2-CE1 3.76Å; F275-F371 HydrophobicContact CE2-CE1 3.76Å; F275-F371 HydrophobicContact CG-CE1 4.45Å; V323-F371 HydrophobicContact CB-CD1 4.2Å; V323-F371 HydrophobicContact CB-CD2 4.24Å; V323-F371 HydrophobicContact CB-CE1 4.45Å; V323-F371 HydrophobicContact CB-CE2 4.49Å; V323-F371 HydrophobicContact CB-CG 4.09Å; V323-F371 HydrophobicContact CG1-CB 4.48Å; V323-F371 HydrophobicContact CG1-CD1 4.27Å; V323-F371 HydrophobicContact CG1-CD2 3.45Å; V323-F371 VanDerWaalsContact CG1-CD2 3.45Å; V323-F371 HydrophobicContact CG1-CE1 4.4Å; V323-F371 HydrophobicContact CG1-CE2 3.62Å; V323-F371 HydrophobicContact CG1-CG 3.81Å; V323-F371 HydrophobicContact CG1-CZ 4.09Å; V323-F371 HydrophobicContact CG2-CD1 4.46Å; V323-F371 HydrophobicContact CG2-CE1 4.28Å; V323-F371 HydrophobicContact CG2-CZ 4.42Å; I324-F371 HydrophobicContact CD1-CB 4.38Å; I324-F371 HydrophobicContact CG1-CB 3.79Å; T367-F371 HydrophobicContact CG2-CD2 3.86Å; T367-F371 HydrophobicContact CG2-CE2 3.85Å; T367-F371 WeakPolarHBondContact O-CD2 3.39Å; T367-F371 PolarHBondContact O-N 3.24Å; A368-F371 PolarHBondContact O-N 3.27Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 2.78Å; F371-V374 PolarHBondContact O-N 3.32Å; F371-H375 VanDerWaalsContact O-CB 3.3Å; F371-H375 WeakPolarHBondContact O-CB 3.45Å; F371-H375 PolarHBondContact O-N 3.22Å
372	T	95.6	Very high	94.3	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.104	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-37.7	171.1	-59.8	0	0	0	0	111.8	A368 G369 L370 H375 T376 M431	A368-T372 PolarHBondContact O-N 3.03Å; A368-T372 PolarHBondContact O-OG1 3.05Å; G369-T372 PolarHBondContact O-N 3.34Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.05Å; T372-H375 PolarHBondContact O-N 2.82Å; T372-T376 WeakPolarHBondContact O-CB 3.44Å; T372-T376 PolarHBondContact O-N 3.49Å; T372-T376 PolarHBondContact O-OG1 3.15Å; T372-M431 HydrophobicContact CG2-CE 3.4Å; T372-M431 HydrophobicContact CG2-SD 3.75Å
373	V	95.9	Very high	94	Very high	97 Å²	97	40.3 Å²	40.3	59%	0.588	24%	0.239	S	C	*	.	H	α-helix	trans	-63.9	-45.8	173.4	175.1	0	0	0	0	110.6	G369 L370 F371 H375 T376 A377	G369-V373 PolarHBondContact O-N 2.86Å; L370-V373 WeakPolarHBondContact O-CB 3.4Å; L370-V373 PolarHBondContact O-N 2.84Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 2.78Å; V373-H375 VanDerWaalsContact C-N 3.33Å; V373-H375 PolarHBondContact O-N 2.92Å; V373-T376 PolarHBondContact O-N 3.41Å; V373-A377 WeakPolarHBondContact O-CB 3.29Å; V373-A377 PolarHBondContact O-N 3.21Å
374	V	95.6	Very high	93.6	Very high	56 Å²	56	45.2 Å²	45.2	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-41.6	176.2	177	0	0	0	0	111.5	F316 L370 F371 G378	F316-V374 HydrophobicContact CB-CG1 4.5Å; F316-V374 HydrophobicContact CD1-CG1 4.21Å; L370-V374 PolarHBondContact O-N 3.16Å; F371-V374 PolarHBondContact O-N 3.32Å; V374-G378 PolarHBondContact O-N 2.98Å
375	H	94.5	Very high	93.1	Very high	29 Å²	29	48.4 Å²	48.4	13%	0.134	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-48.2	177.3	179.5	72.9	0	0	0	111.8	S317 S320 I324 F371 T372 V373 G378 H379	S317-H375 PolarHBondContact O-ND1 3.47Å; S320-H375 WeakPolarHBondContact OG-CA 3.32Å; S320-H375 VanDerWaalsContact OG-CB 3.25Å; S320-H375 WeakPolarHBondContact OG-CB 3.45Å; S320-H375 PolarHBondContact OG-N 3.43Å; I324-H375 HydrophobicContact CD1-CB 3.72Å; F371-H375 VanDerWaalsContact O-CB 3.3Å; F371-H375 WeakPolarHBondContact O-CB 3.45Å; F371-H375 PolarHBondContact O-N 3.22Å; T372-H375 PolarHBondContact O-N 2.82Å; V373-H375 VanDerWaalsContact C-N 3.33Å; V373-H375 PolarHBondContact O-N 2.92Å; H375-G378 PolarHBondContact O-N 3.41Å; H375-H379 AromaticContact CD2-CD2 3.92Å; H375-H379 AromaticContact CE1-CD2 3.23Å; H375-H379 PolarHBondContact CE1-CD2 3.04Å; H375-H379 AromaticContact CE1-NE2 3.15Å; H375-H379 PolarHBondContact CE1-NE2 2.98Å; H375-H379 AromaticContact ND1-CD2 3.72Å; H375-H379 AromaticContact ND1-NE2 3.87Å; H375-H379 AromaticContact NE2-CD2 3.37Å; H375-H379 PolarHBondContact NE2-CD2 3.08Å; H375-H379 AromaticContact NE2-NE2 3.63Å; H375-H379 PolarHBondContact O-CD2 3.13Å; H375-H379 PolarHBondContact O-N 3.06Å
376	T	93.9	Very high	92.5	Very high	52 Å²	52	48.1 Å²	48.1	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-47.1	178.9	-52.7	0	0	0	0	110.6	T372 V373 G378 H379 C380	T372-T376 WeakPolarHBondContact O-CB 3.44Å; T372-T376 PolarHBondContact O-N 3.49Å; T372-T376 PolarHBondContact O-OG1 3.15Å; V373-T376 PolarHBondContact O-N 3.41Å; T376-G378 VanDerWaalsContact C-N 3.34Å; T376-G378 PolarHBondContact O-N 3.5Å; T376-H379 PolarHBondContact O-N 2.97Å; T376-H379 VanDerWaalsContact O-N 3.16Å; T376-C380 PolarHBondContact O-N 3.23Å; T376-C380 PolarHBondContact O-SG 2.82Å
377	A	94	Very high	91.9	Very high	49 Å²	49	45.7 Å²	45.7	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-41.8	176.8	0	0	0	0	0	112.1	V373 H379 C380 I381	V373-A377 WeakPolarHBondContact O-CB 3.29Å; V373-A377 PolarHBondContact O-N 3.21Å; A377-H379 VanDerWaalsContact C-N 3.35Å; A377-H379 PolarHBondContact O-N 3.38Å; A377-C380 PolarHBondContact O-N 3.22Å; A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 3.35Å
378	G	92.3	Very high	91.3	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-45.3	173.2	0	0	0	0	0	111.9	V374 H375 T376 I381 N382	V374-G378 PolarHBondContact O-N 2.98Å; H375-G378 PolarHBondContact O-N 3.41Å; T376-G378 VanDerWaalsContact C-N 3.34Å; T376-G378 PolarHBondContact O-N 3.5Å; G378-I381 PolarHBondContact O-N 3.25Å; G378-N382 VanDerWaalsContact O-CB 3.31Å; G378-N382 WeakPolarHBondContact O-CB 3.46Å; G378-N382 PolarHBondContact O-N 2.81Å; G378-N382 PolarHBondContact O-ND2 2.86Å; G378-N382 VanDerWaalsContact O-ND2 3.09Å; G378-N382 PolarHBondContact O-OD1 2.93Å
379	H	91.3	Very high	90.6	Very high	43 Å²	43	52.1 Å²	52.1	20%	0.199	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-34.4	175.7	-84.8	-69.2	0	0	0	113.9	H375 T376 A377 N382 F383	H375-H379 AromaticContact CD2-CD2 3.92Å; H375-H379 AromaticContact CE1-CD2 3.23Å; H375-H379 PolarHBondContact CE1-CD2 3.04Å; H375-H379 AromaticContact CE1-NE2 3.15Å; H375-H379 PolarHBondContact CE1-NE2 2.98Å; H375-H379 AromaticContact ND1-CD2 3.72Å; H375-H379 AromaticContact ND1-NE2 3.87Å; H375-H379 AromaticContact NE2-CD2 3.37Å; H375-H379 PolarHBondContact NE2-CD2 3.08Å; H375-H379 AromaticContact NE2-NE2 3.63Å; H375-H379 PolarHBondContact O-CD2 3.13Å; H375-H379 PolarHBondContact O-N 3.06Å; T376-H379 PolarHBondContact O-N 2.97Å; T376-H379 VanDerWaalsContact O-N 3.16Å; A377-H379 VanDerWaalsContact C-N 3.35Å; A377-H379 PolarHBondContact O-N 3.38Å; H379-N382 WeakPolarHBondContact O-CB 3.22Å; H379-N382 PolarHBondContact O-N 2.79Å; H379-F383 HydrophobicContact CB-CE2 4.1Å; H379-F383 HydrophobicContact CB-CZ 4.32Å; H379-F383 WeakPolarHBondContact O-CB 3.49Å; H379-F383 WeakPolarHBondContact O-CD2 3.49Å; H379-F383 WeakPolarHBondContact O-CG 3.47Å; H379-F383 PolarHBondContact O-N 3.47Å
380	C	90.3	Very high	89.9	Confident	75 Å²	75	55.3 Å²	55.3	51%	0.507	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-44.6	172.7	-66.9	0	0	0	0	112	T376 A377 N382 F383 Y384	T376-C380 PolarHBondContact O-N 3.23Å; T376-C380 PolarHBondContact O-SG 2.82Å; A377-C380 PolarHBondContact O-N 3.22Å; C380-N382 VanDerWaalsContact C-N 3.33Å; C380-F383 PolarHBondContact O-N 3.27Å; C380-Y384 PolarHBondContact O-N 2.78Å
381	I	90.7	Very high	88.8	Confident	87 Å²	87	51.4 Å²	51.4	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-43.7	175.7	-67.2	165.9	0	0	0	110.4	A377 G378 Y384 H385	A377-I381 WeakPolarHBondContact O-CG1 3.46Å; A377-I381 PolarHBondContact O-N 3.35Å; G378-I381 PolarHBondContact O-N 3.25Å; I381-Y384 WeakPolarHBondContact O-CB 3.24Å; I381-Y384 PolarHBondContact O-N 2.94Å; I381-H385 PolarHBondContact O-CD2 3.36Å; I381-H385 PolarHBondContact O-N 2.83Å
382	N	88.8	Confident	87.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-49.2	176.1	-74.3	-17.6	0	0	0	112.4	M310 G313 I314 S317 G378 H379 C380 Y384 H385 I386	M310-N382 HydrophobicContact CE-CB 3.32Å; G313-N382 WeakPolarHBondContact CA-OD1 3.35Å; G313-N382 PolarHBondContact O-ND2 3.08Å; I314-N382 PolarHBondContact N-OD1 3.13Å; S317-N382 PolarHBondContact OG-ND2 3.06Å; G378-N382 VanDerWaalsContact O-CB 3.31Å; G378-N382 WeakPolarHBondContact O-CB 3.46Å; G378-N382 PolarHBondContact O-N 2.81Å; G378-N382 PolarHBondContact O-ND2 2.86Å; G378-N382 VanDerWaalsContact O-ND2 3.09Å; G378-N382 PolarHBondContact O-OD1 2.93Å; H379-N382 WeakPolarHBondContact O-CB 3.22Å; H379-N382 PolarHBondContact O-N 2.79Å; C380-N382 VanDerWaalsContact C-N 3.33Å; N382-Y384 VanDerWaalsContact C-N 3.3Å; N382-Y384 PolarHBondContact O-N 3.11Å; N382-H385 PolarHBondContact O-N 2.82Å; N382-I386 WeakPolarHBondContact O-CB 3.19Å; N382-I386 WeakPolarHBondContact O-CG1 3.25Å; N382-I386 PolarHBondContact O-N 2.88Å
383	F	87.5	Confident	87	Confident	25 Å²	25	57 Å²	57	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-36.9	178.7	-63.8	-34.7	0	0	0	112	H379 C380 S387 V411 W414 L415	H379-F383 HydrophobicContact CB-CE2 4.1Å; H379-F383 HydrophobicContact CB-CZ 4.32Å; H379-F383 WeakPolarHBondContact O-CB 3.49Å; H379-F383 WeakPolarHBondContact O-CD2 3.49Å; H379-F383 WeakPolarHBondContact O-CG 3.47Å; H379-F383 PolarHBondContact O-N 3.47Å; C380-F383 PolarHBondContact O-N 3.27Å; F383-S387 VanDerWaalsContact O-CB 3.32Å; F383-S387 WeakPolarHBondContact O-CB 3.48Å; F383-S387 PolarHBondContact O-N 2.89Å; F383-S387 PolarHBondContact O-OG 3.44Å; F383-V411 HydrophobicContact CB-CG1 4.29Å; F383-W414 HydrophobicContact CD1-CB 3.62Å; F383-W414 HydrophobicContact CD1-CG 4.01Å; F383-W414 HydrophobicContact CE1-CB 3.81Å; F383-W414 HydrophobicContact CE1-CG 4.38Å; F383-W414 HydrophobicContact CG-CB 4.09Å; F383-W414 HydrophobicContact CZ-CB 4.41Å; F383-L415 HydrophobicContact CD2-CD2 4.05Å; F383-L415 HydrophobicContact CE2-CD2 3.83Å
384	Y	87.8	Confident	86.1	Confident	151 Å²	151	52.5 Å²	52.5	59%	0.592	29%	0.29	S	S	*	.	H	α-helix	trans	-60.1	-52.6	172.6	179.3	-100.1	0	0	0	111.3	C380 I381 N382 I386 S387 T388	C380-Y384 PolarHBondContact O-N 2.78Å; I381-Y384 WeakPolarHBondContact O-CB 3.24Å; I381-Y384 PolarHBondContact O-N 2.94Å; N382-Y384 VanDerWaalsContact C-N 3.3Å; N382-Y384 PolarHBondContact O-N 3.11Å; Y384-I386 PolarHBondContact O-N 3.31Å; Y384-S387 PolarHBondContact O-N 2.75Å; Y384-S387 PolarHBondContact O-OG 2.79Å; Y384-T388 PolarHBondContact O-N 2.79Å
385	H	85.9	Confident	85.1	Confident	67 Å²	67	54.5 Å²	54.5	31%	0.31	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-33.6	-179.8	-72.4	-54.9	0	0	0	114.5	I309 I381 N382 T388 Q389	I309-H385 WeakPolarHBondContact O-CB 3.39Å; I381-H385 PolarHBondContact O-CD2 3.36Å; I381-H385 PolarHBondContact O-N 2.83Å; N382-H385 PolarHBondContact O-N 2.82Å; H385-T388 PolarHBondContact O-N 2.78Å; H385-T388 PolarHBondContact O-OG1 2.88Å; H385-Q389 PolarHBondContact O-NE2 2.87Å
386	I	84	Confident	84.2	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-42.3	173.9	-72.9	167.5	0	0	0	109.8	I309 M310 N382 Y384 T388 Q389 L394 F398 W414	I309-I386 HydrophobicContact CG2-CG1 4.42Å; M310-I386 HydrophobicContact CE-CD1 3.66Å; M310-I386 HydrophobicContact CE-CG1 4.4Å; M310-I386 HydrophobicContact CG-CD1 4.26Å; M310-I386 HydrophobicContact CG-CG1 4.02Å; M310-I386 HydrophobicContact SD-CD1 4.05Å; M310-I386 HydrophobicContact SD-CG1 4.4Å; N382-I386 WeakPolarHBondContact O-CB 3.19Å; N382-I386 WeakPolarHBondContact O-CG1 3.25Å; N382-I386 PolarHBondContact O-N 2.88Å; Y384-I386 PolarHBondContact O-N 3.31Å; I386-T388 PolarHBondContact O-N 3.12Å; I386-T388 VanDerWaalsContact O-N 3.12Å; I386-Q389 PolarHBondContact O-N 3.49Å; I386-Q389 VanDerWaalsContact O-N 3.1Å; I386-L394 HydrophobicContact CG2-CD1 3.98Å; I386-L394 HydrophobicContact CG2-CD2 3.73Å; I386-F398 HydrophobicContact CD1-CE2 4.03Å; I386-F398 HydrophobicContact CD1-CZ 3.87Å; I386-F398 HydrophobicContact CG1-CE2 4.4Å; I386-W414 HydrophobicContact CG2-CD2 4.46Å; I386-W414 HydrophobicContact CG2-CZ2 3.67Å; I386-W414 VanDerWaalsContact CG2-NE1 3.29Å
387	S	82	Confident	83.2	Confident	38 Å²	38	57.2 Å²	57.2	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-66.5	-13.3	-178.7	73	0	0	0	0	114.5	F383 Y384	F383-S387 VanDerWaalsContact O-CB 3.32Å; F383-S387 WeakPolarHBondContact O-CB 3.48Å; F383-S387 PolarHBondContact O-N 2.89Å; F383-S387 PolarHBondContact O-OG 3.44Å; Y384-S387 PolarHBondContact O-N 2.75Å; Y384-S387 PolarHBondContact O-OG 2.79Å
388	T	84.2	Confident	82.4	Confident	81 Å²	81	55.3 Å²	55.3	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.3	175.5	63.7	0	0	0	0	113.9	Y384 H385 I386	Y384-T388 PolarHBondContact O-N 2.79Å; H385-T388 PolarHBondContact O-N 2.78Å; H385-T388 PolarHBondContact O-OG1 2.88Å; I386-T388 PolarHBondContact O-N 3.12Å; I386-T388 VanDerWaalsContact O-N 3.12Å
389	Q	82.1	Confident	81.2	Confident	66 Å²	66	63 Å²	63	31%	0.308	33%	0.333	S	S	.	.	S	Bend	trans	-88.5	161.1	178.8	-54.1	-49.7	-57.7	0	0	112.2	I309 H385 I386 L394	I309-Q389 HydrophobicContact CB-CG 4.42Å; I309-Q389 HydrophobicContact CG1-CG 4.19Å; I309-Q389 HydrophobicContact CG2-CG 3.45Å; I309-Q389 VanDerWaalsContact CG2-CG 3.45Å; H385-Q389 PolarHBondContact O-NE2 2.87Å; I386-Q389 PolarHBondContact O-N 3.49Å; I386-Q389 VanDerWaalsContact O-N 3.1Å; Q389-L394 HydrophobicContact CB-CD1 4.44Å; Q389-L394 HydrophobicContact CB-CD2 4.05Å; Q389-L394 HydrophobicContact CB-CG 4.11Å; Q389-L394 HydrophobicContact CG-CD2 4.41Å
390	D	79.3	Confident	80.1	Confident	77 Å²	77	66 Å²	66	41%	0.412	35%	0.347	S	S	.	.			trans	-68.2	141.6	171.9	55.1	-75.7	0	0	0	112.1	D392 S393 L394	D390-D392 VanDerWaalsContact C-N 3.3Å; D390-D392 PolarHBondContact O-N 3.19Å; D390-S393 VanDerWaalsContact CG-OG 3.26Å; D390-S393 PolarHBondContact O-N 3.42Å; D390-S393 PolarHBondContact OD1-OG 3.37Å; D390-S393 WeakPolarHBondContact OD2-CB 3.44Å; D390-S393 PolarHBondContact OD2-N 3.48Å; D390-S393 PolarHBondContact OD2-OG 2.96Å; D390-L394 WeakPolarHBondContact O-CG 3.48Å; D390-L394 PolarHBondContact O-N 2.87Å
391	P	74.5	Confident	79	Confident	30 Å²	30	62.8 Å²	62.8	20%	0.195	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-36.4	-178.2	-25.8	34.9	0	0	0	114.3	L394 Q395 K408	P391-L394 WeakPolarHBondContact O-CB 3.41Å; P391-L394 PolarHBondContact O-N 3.37Å; P391-L394 VanDerWaalsContact O-N 3.14Å; P391-Q395 PolarHBondContact O-N 3.47Å; P391-K408 HydrophobicContact CG-CG 4.36Å
392	D	75.7	Confident	77.7	Confident	116 Å²	116	64.2 Å²	64.2	62%	0.62	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-44.5	-178.7	-63	-26.7	0	0	0	111.6	D390 L394 Q395 C396	D390-D392 VanDerWaalsContact C-N 3.3Å; D390-D392 PolarHBondContact O-N 3.19Å; D392-L394 VanDerWaalsContact C-N 3.28Å; D392-L394 PolarHBondContact O-N 2.87Å; D392-Q395 PolarHBondContact O-N 2.98Å; D392-C396 PolarHBondContact O-N 3.39Å
393	S	76.9	Confident	76.6	Confident	53 Å²	53	65 Å²	65	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-34.8	173.8	-67.2	0	0	0	0	112.3	D390 L397	D390-S393 VanDerWaalsContact CG-OG 3.26Å; D390-S393 PolarHBondContact O-N 3.42Å; D390-S393 PolarHBondContact OD1-OG 3.37Å; D390-S393 WeakPolarHBondContact OD2-CB 3.44Å; D390-S393 PolarHBondContact OD2-N 3.48Å; D390-S393 PolarHBondContact OD2-OG 2.96Å; S393-L397 PolarHBondContact O-N 3.18Å
394	L	76.5	Confident	75.4	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-70.7	-38.6	178.4	-67.2	178.3	0	0	0	112.7	I386 Q389 D390 P391 D392 C396 L397 F398 L403 A409	I386-L394 HydrophobicContact CG2-CD1 3.98Å; I386-L394 HydrophobicContact CG2-CD2 3.73Å; Q389-L394 HydrophobicContact CB-CD1 4.44Å; Q389-L394 HydrophobicContact CB-CD2 4.05Å; Q389-L394 HydrophobicContact CB-CG 4.11Å; Q389-L394 HydrophobicContact CG-CD2 4.41Å; D390-L394 WeakPolarHBondContact O-CG 3.48Å; D390-L394 PolarHBondContact O-N 2.87Å; P391-L394 WeakPolarHBondContact O-CB 3.41Å; P391-L394 PolarHBondContact O-N 3.37Å; P391-L394 VanDerWaalsContact O-N 3.14Å; D392-L394 VanDerWaalsContact C-N 3.28Å; D392-L394 PolarHBondContact O-N 2.87Å; L394-C396 VanDerWaalsContact C-N 3.28Å; L394-C396 PolarHBondContact O-N 3.3Å; L394-L397 PolarHBondContact O-N 2.96Å; L394-F398 HydrophobicContact CD2-CD2 4.4Å; L394-F398 HydrophobicContact CD2-CE2 4.23Å; L394-F398 PolarHBondContact O-N 2.66Å; L394-L403 HydrophobicContact CB-CD1 4.23Å; L394-A409 HydrophobicContact CD1-CB 3.95Å
395	Q	75.2	Confident	74	Confident	99 Å²	99	66 Å²	66	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-34.8	177.5	-170	175.4	11.9	0	0	111.8	P391 D392 L397 L403	P391-Q395 PolarHBondContact O-N 3.47Å; D392-Q395 PolarHBondContact O-N 2.98Å; Q395-L397 VanDerWaalsContact C-N 3.33Å; Q395-L403 HydrophobicContact CB-CD1 4.48Å
396	C	75.4	Confident	72.8	Confident	98 Å²	98	70 Å²	70	66%	0.662	39%	0.39	S	S	*	.	H	α-helix	trans	-64.6	-37.7	173.8	-169.2	0	0	0	0	112.2	D392 L394	D392-C396 PolarHBondContact O-N 3.39Å; L394-C396 VanDerWaalsContact C-N 3.28Å; L394-C396 PolarHBondContact O-N 3.3Å
397	L	73.7	Confident	71.8	Confident	40 Å²	40	75.9 Å²	75.9	21%	0.209	42%	0.419	C	S	.	.	H	α-helix	trans	-84.2	-36.5	-175.1	-160.8	69.2	0	0	0	113.7	D305 L306 I309 S393 L394 Q395	D305-L397 HydrophobicContact CB-CD1 3.78Å; L306-L397 HydrophobicContact CD2-CD1 4.29Å; L306-L397 HydrophobicContact CD2-CD2 3.46Å; L306-L397 VanDerWaalsContact CD2-CD2 3.46Å; L306-L397 HydrophobicContact CD2-CG 3.77Å; L306-L397 HydrophobicContact CG-CD1 4.02Å; L306-L397 HydrophobicContact CG-CD2 4.01Å; L306-L397 HydrophobicContact CG-CG 4.07Å; I309-L397 HydrophobicContact CD1-CD2 3.71Å; S393-L397 PolarHBondContact O-N 3.18Å; L394-L397 PolarHBondContact O-N 2.96Å; Q395-L397 VanDerWaalsContact C-N 3.33Å
398	F	76.5	Confident	70.9	Confident	9 Å²	9	81.9 Å²	81.9	4%	0.039	44%	0.44	C	S	.	.			trans	-115.9	65.5	-178	-61.7	-71.2	0	0	0	110.5	L306 M310 I386 L394 E400 A401 W414 L472	L306-F398 HydrophobicContact CD2-CE1 3.94Å; L306-F398 HydrophobicContact CD2-CZ 3.72Å; M310-F398 HydrophobicContact SD-CZ 4.49Å; I386-F398 HydrophobicContact CD1-CE2 4.03Å; I386-F398 HydrophobicContact CD1-CZ 3.87Å; I386-F398 HydrophobicContact CG1-CE2 4.4Å; L394-F398 HydrophobicContact CD2-CD2 4.4Å; L394-F398 HydrophobicContact CD2-CE2 4.23Å; L394-F398 PolarHBondContact O-N 2.66Å; F398-E400 PolarHBondContact O-N 3.03Å; F398-A401 HydrophobicContact CB-CB 3.95Å; F398-A401 PolarHBondContact O-N 3.47Å; F398-W414 HydrophobicContact CB-CH2 4.26Å; F398-W414 AromaticContact CD2-CH2 3.71Å; F398-W414 HydrophobicContact CD2-CH2 3.71Å; F398-W414 HydrophobicContact CD2-CZ2 4.22Å; F398-W414 HydrophobicContact CE2-CH2 4.14Å; F398-W414 HydrophobicContact CE2-CZ2 4.46Å; F398-W414 AromaticContact CG-CH2 3.92Å; F398-W414 HydrophobicContact CG-CH2 3.92Å; F398-L472 HydrophobicContact CD1-CD2 3.96Å; F398-L472 WeakPolarHBondContact CD1-O 3.46Å
399	Q	67.3	Low	70.2	Confident	164 Å²	164	78.3 Å²	78.3	77%	0.766	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.3	-178	-62.6	-177.3	-5	0	0	113.6
400	E	68	Low	70.2	Confident	106 Å²	106	78.6 Å²	78.6	50%	0.495	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.1	178	-59.1	-167.4	-176.7	0	0	114	F398 K471	F398-E400 PolarHBondContact O-N 3.03Å; E400-K471 WeakPolarHBondContact OE2-CB 3.47Å
401	A	67	Low	70.3	Confident	7 Å²	7	77.5 Å²	77.5	6%	0.058	42%	0.421	C	S	.	.	S	Bend	trans	-97.4	123.8	174.8	0	0	0	0	0	110.1	F398 L403 W414 L472	F398-A401 HydrophobicContact CB-CB 3.95Å; F398-A401 PolarHBondContact O-N 3.47Å; A401-L403 HydrophobicContact CB-CD1 4.26Å; A401-L403 HydrophobicContact CB-CG 4.46Å; A401-L403 PolarHBondContact O-N 2.98Å; A401-W414 HydrophobicContact CB-CH2 4.21Å; A401-W414 HydrophobicContact CB-CZ3 4.37Å; A401-L472 HydrophobicContact CB-CD2 4.36Å
402	V	64.6	Low	70.8	Confident	118 Å²	118	79.1 Å²	79.1	72%	0.715	43%	0.433	S	S	*	.			trans	-75.7	89.1	176.4	-176.4	0	0	0	0	108.9	Y413	V402-Y413 PolarHBondContact O-OH 3.42Å
403	L	64.5	Low	71.2	Confident	16 Å²	16	76.2 Å²	76.2	8%	0.084	41%	0.414	C	S	.	.			trans	-93.6	113.7	174.2	-70.5	146.9	0	0	0	108.1	L394 Q395 A401 S405 A409 Y413	L394-L403 HydrophobicContact CB-CD1 4.23Å; Q395-L403 HydrophobicContact CB-CD1 4.48Å; A401-L403 HydrophobicContact CB-CD1 4.26Å; A401-L403 HydrophobicContact CB-CG 4.46Å; A401-L403 PolarHBondContact O-N 2.98Å; L403-S405 PolarHBondContact O-N 3Å; L403-A409 HydrophobicContact CD2-CB 3.57Å; L403-Y413 HydrophobicContact CD2-CD1 4.39Å; L403-Y413 HydrophobicContact CD2-CE1 3.86Å; L403-Y413 HydrophobicContact CG-CE1 4.45Å
404	D	62	Low	71.5	Confident	111 Å²	111	73.9 Å²	73.9	59%	0.594	40%	0.397	S	S	*	.			trans	-64.8	131.2	168.1	-75.5	-29.4	0	0	0	108.7	D406 M407	D404-D406 PolarHBondContact O-N 3.25Å; D404-M407 PolarHBondContact O-N 3.34Å; D404-M407 VanDerWaalsContact O-N 3.12Å
405	S	59.6	Low	72	Confident	87 Å²	87	76.1 Å²	76.1	61%	0.608	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.7	-172.8	50	0	0	0	0	114.3	L403	L403-S405 PolarHBondContact O-N 3Å
406	D	61	Low	72.5	Confident	151 Å²	151	78.9 Å²	78.9	81%	0.807	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.8	-172.5	-64.4	-3.3	0	0	0	113.6	D404	D404-D406 PolarHBondContact O-N 3.25Å
407	M	62.1	Low	72.8	Confident	126 Å²	126	76.5 Å²	76.5	62%	0.621	41%	0.408	S	S	*	.	S	Bend	trans	-112.9	120.7	-174.8	-71.2	-120.6	-66.9	0	0	112.4	D404 A409	D404-M407 PolarHBondContact O-N 3.34Å; D404-M407 VanDerWaalsContact O-N 3.12Å; M407-A409 PolarHBondContact O-N 3.14Å
408	K	64	Low	73.4	Confident	164 Å²	164	74.6 Å²	74.6	71%	0.713	40%	0.398	S	S	*	.			trans	-60.5	126.5	167.4	-72.2	-174.5	179.5	-178.8	0	109.4	P391 T410	P391-K408 HydrophobicContact CG-CG 4.36Å; K408-T410 PolarHBondContact O-N 3.01Å
409	A	68.6	Low	73.9	Confident	6 Å²	6	77.6 Å²	77.6	5%	0.05	42%	0.417	C	S	.	.			trans	-68	81.3	178.1	0	0	0	0	0	110.9	L394 L403 M407 Y413 W414	L394-A409 HydrophobicContact CD1-CB 3.95Å; L403-A409 HydrophobicContact CD2-CB 3.57Å; M407-A409 PolarHBondContact O-N 3.14Å; A409-Y413 HydrophobicContact CB-CD1 4.22Å; A409-W414 HydrophobicContact CB-CZ2 4.23Å
410	T	81.1	Confident	74.9	Confident	71 Å²	71	70.7 Å²	70.7	44%	0.436	39%	0.386	S	S	.	.			trans	-60.7	157.4	176.4	53	0	0	0	0	111.1	K408 S412 Y413 W414	K408-T410 PolarHBondContact O-N 3.01Å; T410-S412 WeakPolarHBondContact CB-OG 3.5Å; T410-S412 PolarHBondContact O-N 2.94Å; T410-S412 VanDerWaalsContact O-N 3.15Å; T410-S412 PolarHBondContact OG1-OG 3.08Å; T410-Y413 WeakPolarHBondContact O-CB 3.34Å; T410-Y413 PolarHBondContact O-N 3.46Å; T410-Y413 PolarHBondContact OG1-N 3.26Å; T410-W414 PolarHBondContact O-N 3.33Å
411	V	83.1	Confident	76	Confident	55 Å²	55	65.9 Å²	65.9	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-54.3	-34.6	173.1	178.6	0	0	0	0	111.4	F383 Y413 W414 L415	F383-V411 HydrophobicContact CB-CG1 4.29Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 2.92Å; V411-W414 PolarHBondContact O-N 2.83Å; V411-L415 HydrophobicContact CG1-CD1 3.88Å; V411-L415 HydrophobicContact CG1-CG 4.3Å; V411-L415 WeakPolarHBondContact O-CG 3.28Å; V411-L415 PolarHBondContact O-N 3.47Å
412	S	84.9	Confident	77.2	Confident	64 Å²	64	69.1 Å²	69.1	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-37.7	174.2	36.1	0	0	0	0	113.5	T410 L415 Y416	T410-S412 WeakPolarHBondContact CB-OG 3.5Å; T410-S412 PolarHBondContact O-N 2.94Å; T410-S412 VanDerWaalsContact O-N 3.15Å; T410-S412 PolarHBondContact OG1-OG 3.08Å; S412-L415 PolarHBondContact O-N 2.88Å; S412-Y416 WeakPolarHBondContact O-CB 3.31Å; S412-Y416 WeakPolarHBondContact O-CD2 3.35Å; S412-Y416 PolarHBondContact O-N 3.34Å
413	Y	83.8	Confident	78.6	Confident	55 Å²	55	63.9 Å²	63.9	22%	0.216	35%	0.348	C	S	.	.	I	π-helix	trans	-64.3	-44.3	175.5	172	-98.8	0	0	0	111.1	V402 L403 A409 T410 V411 L415 G417 T418	V402-Y413 PolarHBondContact O-OH 3.42Å; L403-Y413 HydrophobicContact CD2-CD1 4.39Å; L403-Y413 HydrophobicContact CD2-CE1 3.86Å; L403-Y413 HydrophobicContact CG-CE1 4.45Å; A409-Y413 HydrophobicContact CB-CD1 4.22Å; T410-Y413 WeakPolarHBondContact O-CB 3.34Å; T410-Y413 PolarHBondContact O-N 3.46Å; T410-Y413 PolarHBondContact OG1-N 3.26Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 2.92Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; Y413-L415 PolarHBondContact O-N 2.87Å; Y413-G417 CarbonylContact O-C 3.53Å; Y413-G417 WeakPolarHBondContact O-CA 3.45Å; Y413-G417 PolarHBondContact O-N 3.08Å; Y413-T418 HydrophobicContact CE1-CG2 4.27Å; Y413-T418 PolarHBondContact O-N 3.26Å
414	W	82.6	Confident	79.9	Confident	4 Å²	4	64 Å²	64	2%	0.015	35%	0.354	C	S	.	.	I	π-helix	trans	-66.6	-35.1	178.6	-67.3	104.3	0	0	0	113.1	F383 I386 F398 A401 A409 T410 V411 T418 G421 L472	F383-W414 HydrophobicContact CD1-CB 3.62Å; F383-W414 HydrophobicContact CD1-CG 4.01Å; F383-W414 HydrophobicContact CE1-CB 3.81Å; F383-W414 HydrophobicContact CE1-CG 4.38Å; F383-W414 HydrophobicContact CG-CB 4.09Å; F383-W414 HydrophobicContact CZ-CB 4.41Å; I386-W414 HydrophobicContact CG2-CD2 4.46Å; I386-W414 HydrophobicContact CG2-CZ2 3.67Å; I386-W414 VanDerWaalsContact CG2-NE1 3.29Å; F398-W414 HydrophobicContact CB-CH2 4.26Å; F398-W414 AromaticContact CD2-CH2 3.71Å; F398-W414 HydrophobicContact CD2-CH2 3.71Å; F398-W414 HydrophobicContact CD2-CZ2 4.22Å; F398-W414 HydrophobicContact CE2-CH2 4.14Å; F398-W414 HydrophobicContact CE2-CZ2 4.46Å; F398-W414 AromaticContact CG-CH2 3.92Å; F398-W414 HydrophobicContact CG-CH2 3.92Å; A401-W414 HydrophobicContact CB-CH2 4.21Å; A401-W414 HydrophobicContact CB-CZ3 4.37Å; A409-W414 HydrophobicContact CB-CZ2 4.23Å; T410-W414 PolarHBondContact O-N 3.33Å; V411-W414 PolarHBondContact O-N 2.83Å; W414-T418 HydrophobicContact CE3-CG2 3.74Å; W414-T418 HydrophobicContact CZ3-CG2 4.11Å; W414-T418 PolarHBondContact O-OG1 3.03Å; W414-G421 WeakPolarHBondContact O-CA 3.4Å; W414-L472 HydrophobicContact CZ3-CD2 4.05Å
415	L	86.1	Confident	81.5	Confident	47 Å²	47	61.4 Å²	61.4	25%	0.246	34%	0.339	C	S	.	.	I	π-helix	trans	-76.9	-43	179	-73.1	175.9	0	0	0	113.6	F383 V411 S412 Y413 G421 I422 I425	F383-L415 HydrophobicContact CD2-CD2 4.05Å; F383-L415 HydrophobicContact CE2-CD2 3.83Å; V411-L415 HydrophobicContact CG1-CD1 3.88Å; V411-L415 HydrophobicContact CG1-CG 4.3Å; V411-L415 WeakPolarHBondContact O-CG 3.28Å; V411-L415 PolarHBondContact O-N 3.47Å; S412-L415 PolarHBondContact O-N 2.88Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; Y413-L415 PolarHBondContact O-N 2.87Å; L415-G421 CarbonylContact O-C 3.53Å; L415-G421 WeakPolarHBondContact O-CA 3.31Å; L415-I422 PolarHBondContact O-N 2.96Å; L415-I422 VanDerWaalsContact O-N 3.09Å; L415-I425 HydrophobicContact CB-CD1 4.24Å; L415-I425 HydrophobicContact CD2-CD1 4.39Å
416	Y	86.9	Confident	83.2	Confident	157 Å²	157	60.8 Å²	60.8	62%	0.616	33%	0.329	S	S	*	.	I	π-helix	trans	-114.1	-19.4	-170.7	-55.7	-67.5	0	0	0	114.2	S412 I422 I425	S412-Y416 WeakPolarHBondContact O-CB 3.31Å; S412-Y416 WeakPolarHBondContact O-CD2 3.35Å; S412-Y416 PolarHBondContact O-N 3.34Å; Y416-I422 VanDerWaalsContact O-CD1 3.26Å; Y416-I422 WeakPolarHBondContact O-CD1 3.44Å; Y416-I425 HydrophobicContact CD1-CD1 4.06Å; Y416-I425 HydrophobicContact CE1-CD1 3.69Å
417	G	81.3	Confident	84.9	Confident	48 Å²	48	54.7 Å²	54.7	50%	0.495	30%	0.296	S	S	.	.	I	π-helix	trans	-91.6	-16.2	178.9	0	0	0	0	0	113.8	Y413	Y413-G417 CarbonylContact O-C 3.53Å; Y413-G417 WeakPolarHBondContact O-CA 3.45Å; Y413-G417 PolarHBondContact O-N 3.08Å
418	T	85.7	Confident	86.5	Confident	1 Å²	1	51 Å²	51	1%	0.006	28%	0.281	C	S	.	.	S	Bend	trans	-105.4	146.3	177.5	74.7	0	0	0	0	112	Y413 W414 T420 G421 I422	Y413-T418 HydrophobicContact CE1-CG2 4.27Å; Y413-T418 PolarHBondContact O-N 3.26Å; W414-T418 HydrophobicContact CE3-CG2 3.74Å; W414-T418 HydrophobicContact CZ3-CG2 4.11Å; W414-T418 PolarHBondContact O-OG1 3.03Å; T418-T420 VanDerWaalsContact C-N 3.25Å; T418-T420 PolarHBondContact O-N 3.45Å; T418-T420 PolarHBondContact OG1-OG1 3.1Å; T418-G421 PolarHBondContact O-N 2.92Å; T418-G421 PolarHBondContact OG1-N 3.18Å; T418-I422 PolarHBondContact O-N 2.98Å; T418-I422 VanDerWaalsContact O-N 3.07Å
419	V	88.3	Confident	88	Confident	72 Å²	72	47.6 Å²	47.6	44%	0.436	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-39.2	175.9	177.7	0	0	0	0	109.8	T423 I466	V419-T423 HydrophobicContact CG1-CG2 4.17Å; V419-T423 VanDerWaalsContact O-CB 3.31Å; V419-T423 WeakPolarHBondContact O-CB 3.35Å; V419-T423 VanDerWaalsContact O-CG2 3.24Å; V419-T423 WeakPolarHBondContact O-CG2 3.4Å; V419-T423 PolarHBondContact O-N 2.85Å; V419-T423 PolarHBondContact O-OG1 2.96Å; V419-I466 HydrophobicContact CG1-CG2 3.9Å
420	T	88.8	Confident	89.3	Confident	18 Å²	18	48.1 Å²	48.1	11%	0.11	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-38.7	177.6	64.9	0	0	0	0	112.4	T418 T423 G424 H467 Q470 L472	T418-T420 VanDerWaalsContact C-N 3.25Å; T418-T420 PolarHBondContact O-N 3.45Å; T418-T420 PolarHBondContact OG1-OG1 3.1Å; T420-T423 WeakPolarHBondContact CA-OG1 3.48Å; T420-T423 PolarHBondContact O-OG1 3.38Å; T420-T423 VanDerWaalsContact O-OG1 3.09Å; T420-G424 PolarHBondContact O-N 3.42Å; T420-H467 VanDerWaalsContact CG2-O 3.23Å; T420-H467 WeakPolarHBondContact CG2-O 3.35Å; T420-H467 PolarHBondContact O-CE1 2.9Å; T420-H467 PolarHBondContact O-ND1 3.3Å; T420-Q470 HydrophobicContact CG2-CB 3.68Å; T420-L472 HydrophobicContact CG2-CD1 3.43Å; T420-L472 VanDerWaalsContact CG2-CD1 3.43Å; T420-L472 HydrophobicContact CG2-CG 4.34Å; T420-L472 WeakPolarHBondContact OG1-CD1 3.37Å
421	G	89.4	Confident	90	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-55.1	174.4	0	0	0	0	0	112.5	W414 L415 T418 T423 G424 I425	W414-G421 WeakPolarHBondContact O-CA 3.4Å; L415-G421 CarbonylContact O-C 3.53Å; L415-G421 WeakPolarHBondContact O-CA 3.31Å; T418-G421 PolarHBondContact O-N 2.92Å; T418-G421 PolarHBondContact OG1-N 3.18Å; G421-T423 PolarHBondContact O-N 2.82Å; G421-G424 PolarHBondContact O-N 2.98Å; G421-G424 VanDerWaalsContact O-N 3.16Å; G421-I425 WeakPolarHBondContact O-CG1 3.46Å; G421-I425 PolarHBondContact O-N 2.74Å
422	I	92.1	Very high	90.5	Very high	76 Å²	76	46.3 Å²	46.3	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-48	-179.2	-66.5	165.5	0	0	0	110.4	L415 Y416 T418 G424 I425 L426	L415-I422 PolarHBondContact O-N 2.96Å; L415-I422 VanDerWaalsContact O-N 3.09Å; Y416-I422 VanDerWaalsContact O-CD1 3.26Å; Y416-I422 WeakPolarHBondContact O-CD1 3.44Å; T418-I422 PolarHBondContact O-N 2.98Å; T418-I422 VanDerWaalsContact O-N 3.07Å; I422-G424 VanDerWaalsContact C-N 3.3Å; I422-G424 PolarHBondContact O-N 3.31Å; I422-I425 PolarHBondContact O-N 2.79Å; I422-L426 HydrophobicContact CG2-CD1 3.99Å; I422-L426 HydrophobicContact CG2-CG 4.41Å; I422-L426 WeakPolarHBondContact O-CG 3.15Å; I422-L426 PolarHBondContact O-N 3.33Å
423	T	94.3	Very high	91.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-36.5	178.5	51.8	0	0	0	0	111.8	V419 T420 G421 L426 L427 L463 I466 H467	V419-T423 HydrophobicContact CG1-CG2 4.17Å; V419-T423 VanDerWaalsContact O-CB 3.31Å; V419-T423 WeakPolarHBondContact O-CB 3.35Å; V419-T423 VanDerWaalsContact O-CG2 3.24Å; V419-T423 WeakPolarHBondContact O-CG2 3.4Å; V419-T423 PolarHBondContact O-N 2.85Å; V419-T423 PolarHBondContact O-OG1 2.96Å; T420-T423 WeakPolarHBondContact CA-OG1 3.48Å; T420-T423 PolarHBondContact O-OG1 3.38Å; T420-T423 VanDerWaalsContact O-OG1 3.09Å; G421-T423 PolarHBondContact O-N 2.82Å; T423-L426 PolarHBondContact O-N 2.88Å; T423-L427 VanDerWaalsContact O-CB 3.3Å; T423-L427 WeakPolarHBondContact O-CB 3.41Å; T423-L427 WeakPolarHBondContact O-CG 3.3Å; T423-L427 PolarHBondContact O-N 3.25Å; T423-L463 HydrophobicContact CG2-CD2 4.47Å; T423-I466 HydrophobicContact CG2-CB 4.3Å; T423-I466 HydrophobicContact CG2-CG2 3.83Å; T423-H467 WeakPolarHBondContact OG1-CA 3.5Å; T423-H467 WeakPolarHBondContact OG1-CB 3.05Å; T423-H467 PolarHBondContact OG1-ND1 3.1Å
424	G	93.2	Very high	91.6	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-45.3	174.3	0	0	0	0	0	112.5	T420 G421 I422 L427 V428 H467	T420-G424 PolarHBondContact O-N 3.42Å; G421-G424 PolarHBondContact O-N 2.98Å; G421-G424 VanDerWaalsContact O-N 3.16Å; I422-G424 VanDerWaalsContact C-N 3.3Å; I422-G424 PolarHBondContact O-N 3.31Å; G424-L427 PolarHBondContact O-N 3.06Å; G424-V428 WeakPolarHBondContact O-CG2 3.5Å; G424-V428 PolarHBondContact O-N 3.37Å; G424-H467 PolarHBondContact N-ND1 2.81Å
425	I	94.2	Very high	92.1	Very high	55 Å²	55	47.4 Å²	47.4	28%	0.282	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-47.7	176	-65	168.6	0	0	0	110.6	L415 Y416 G421 I422 L427 V428 I429	L415-I425 HydrophobicContact CB-CD1 4.24Å; L415-I425 HydrophobicContact CD2-CD1 4.39Å; Y416-I425 HydrophobicContact CD1-CD1 4.06Å; Y416-I425 HydrophobicContact CE1-CD1 3.69Å; G421-I425 WeakPolarHBondContact O-CG1 3.46Å; G421-I425 PolarHBondContact O-N 2.74Å; I422-I425 PolarHBondContact O-N 2.79Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 3.28Å; I425-V428 PolarHBondContact O-N 2.96Å; I425-I429 HydrophobicContact CG2-CD1 3.91Å; I425-I429 WeakPolarHBondContact O-CG1 3.44Å; I425-I429 PolarHBondContact O-N 3.2Å
426	L	95.6	Very high	92.6	Very high	75 Å²	75	48.5 Å²	48.5	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-41.1	178.4	-69.1	175	0	0	0	112	I422 T423 I429 V430 L463	I422-L426 HydrophobicContact CG2-CD1 3.99Å; I422-L426 HydrophobicContact CG2-CG 4.41Å; I422-L426 WeakPolarHBondContact O-CG 3.15Å; I422-L426 PolarHBondContact O-N 3.33Å; T423-L426 PolarHBondContact O-N 2.88Å; L426-I429 PolarHBondContact O-N 3.29Å; L426-V430 WeakPolarHBondContact O-CB 3.27Å; L426-V430 VanDerWaalsContact O-CG2 3.3Å; L426-V430 WeakPolarHBondContact O-CG2 3.36Å; L426-V430 PolarHBondContact O-N 3.05Å; L426-L463 HydrophobicContact CB-CD1 3.98Å; L426-L463 HydrophobicContact CD1-CD2 4.35Å
427	L	96.3	Very high	92.9	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-45.8	175.6	-77.9	169.8	0	0	0	111.5	T423 G424 I425 I429 V430 M431 L460 L463 T464 H467	T423-L427 VanDerWaalsContact O-CB 3.3Å; T423-L427 WeakPolarHBondContact O-CB 3.41Å; T423-L427 WeakPolarHBondContact O-CG 3.3Å; T423-L427 PolarHBondContact O-N 3.25Å; G424-L427 PolarHBondContact O-N 3.06Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 3.28Å; L427-I429 PolarHBondContact O-N 3.22Å; L427-V430 PolarHBondContact O-N 3.46Å; L427-M431 WeakPolarHBondContact O-CB 3.25Å; L427-M431 PolarHBondContact O-N 3.48Å; L427-L460 HydrophobicContact CD2-CD1 3.65Å; L427-L460 HydrophobicContact CD2-CG 4.24Å; L427-L460 WeakPolarHBondContact CD2-O 3.34Å; L427-L463 HydrophobicContact CD2-CB 3.52Å; L427-L463 HydrophobicContact CD2-CD1 4.42Å; L427-L463 HydrophobicContact CG-CB 3.92Å; L427-T464 WeakPolarHBondContact CD2-OG1 3.49Å; L427-H467 HydrophobicContact CD1-CB 3.89Å
428	V	95.4	Very high	93.4	Very high	49 Å²	49	43.7 Å²	43.7	30%	0.297	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-44.6	176.6	172.1	0	0	0	0	110.8	G424 I425 M431 C432	G424-V428 WeakPolarHBondContact O-CG2 3.5Å; G424-V428 PolarHBondContact O-N 3.37Å; I425-V428 PolarHBondContact O-N 2.96Å; V428-M431 PolarHBondContact O-N 2.91Å; V428-C432 WeakPolarHBondContact O-CB 3.46Å; V428-C432 PolarHBondContact O-N 2.82Å; V428-C432 PolarHBondContact O-SG 2.83Å
429	I	95.9	Very high	93.7	Very high	92 Å²	92	47.4 Å²	47.4	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-50.6	177.5	-67.6	167.4	0	0	0	111.1	I425 L426 L427 M431 C432 V433	I425-I429 HydrophobicContact CG2-CD1 3.91Å; I425-I429 WeakPolarHBondContact O-CG1 3.44Å; I425-I429 PolarHBondContact O-N 3.2Å; L426-I429 PolarHBondContact O-N 3.29Å; L427-I429 PolarHBondContact O-N 3.22Å; I429-M431 VanDerWaalsContact C-N 3.3Å; I429-M431 PolarHBondContact O-N 3.03Å; I429-C432 PolarHBondContact O-N 3.39Å; I429-V433 WeakPolarHBondContact O-CG2 3.39Å; I429-V433 PolarHBondContact O-N 3.4Å
430	V	96.3	Very high	93.7	Very high	16 Å²	16	48.7 Å²	48.7	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-41.5	179.5	171.1	0	0	0	0	110.9	L426 L427 T434 L456 L459 L460 L463	L426-V430 WeakPolarHBondContact O-CB 3.27Å; L426-V430 VanDerWaalsContact O-CG2 3.3Å; L426-V430 WeakPolarHBondContact O-CG2 3.36Å; L426-V430 PolarHBondContact O-N 3.05Å; L427-V430 PolarHBondContact O-N 3.46Å; V430-T434 WeakPolarHBondContact O-CB 3.37Å; V430-T434 PolarHBondContact O-N 2.96Å; V430-T434 PolarHBondContact O-OG1 3.21Å; V430-L456 HydrophobicContact CG1-CB 3.96Å; V430-L459 HydrophobicContact CG2-CD2 4.12Å; V430-L460 HydrophobicContact CB-CD1 4.46Å; V430-L460 HydrophobicContact CG1-CB 4.17Å; V430-L460 HydrophobicContact CG1-CD1 4.08Å; V430-L463 HydrophobicContact CG2-CD1 4.36Å
431	M	95.2	Very high	93.7	Very high	22 Å²	22	52.5 Å²	52.5	11%	0.108	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-43.9	177.8	-159.4	-176.1	72.4	0	0	110.9	T372 L427 V428 I429 V433 T434 Y435 L460	T372-M431 HydrophobicContact CG2-CE 3.4Å; T372-M431 HydrophobicContact CG2-SD 3.75Å; L427-M431 WeakPolarHBondContact O-CB 3.25Å; L427-M431 PolarHBondContact O-N 3.48Å; V428-M431 PolarHBondContact O-N 2.91Å; I429-M431 VanDerWaalsContact C-N 3.3Å; I429-M431 PolarHBondContact O-N 3.03Å; M431-V433 PolarHBondContact O-N 2.97Å; M431-T434 PolarHBondContact O-N 3.47Å; M431-Y435 HydrophobicContact CG-CD2 3.72Å; M431-Y435 HydrophobicContact CG-CE2 3.45Å; M431-Y435 VanDerWaalsContact CG-CE2 3.45Å; M431-Y435 WeakPolarHBondContact O-CD2 3.49Å; M431-Y435 PolarHBondContact O-N 3.46Å; M431-Y435 HydrophobicContact SD-CE2 4.16Å; M431-L460 HydrophobicContact CB-CD1 4.38Å
432	C	95.5	Very high	93.7	Very high	67 Å²	67	54.7 Å²	54.7	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-49	175.4	-76.2	0	0	0	0	112	V428 I429 T434 Y435 V436	V428-C432 WeakPolarHBondContact O-CB 3.46Å; V428-C432 PolarHBondContact O-N 2.82Å; V428-C432 PolarHBondContact O-SG 2.83Å; I429-C432 PolarHBondContact O-N 3.39Å; C432-T434 PolarHBondContact O-N 3.28Å; C432-Y435 PolarHBondContact O-N 3.33Å; C432-V436 WeakPolarHBondContact O-CB 3.43Å; C432-V436 VanDerWaalsContact O-CG2 3.25Å; C432-V436 WeakPolarHBondContact O-CG2 3.25Å; C432-V436 PolarHBondContact O-N 2.84Å
433	V	95.6	Very high	93.3	Very high	53 Å²	53	53.4 Å²	53.4	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-49	176.2	173.3	0	0	0	0	110.3	I429 M431 Y435 V436 F437 T453 L456	I429-V433 WeakPolarHBondContact O-CG2 3.39Å; I429-V433 PolarHBondContact O-N 3.4Å; M431-V433 PolarHBondContact O-N 2.97Å; V433-Y435 VanDerWaalsContact C-N 3.34Å; V433-Y435 PolarHBondContact O-N 2.91Å; V433-V436 PolarHBondContact O-N 3.41Å; V433-F437 HydrophobicContact CG1-CD2 4.1Å; V433-F437 HydrophobicContact CG1-CE2 4.23Å; V433-F437 WeakPolarHBondContact O-CD2 3.44Å; V433-F437 PolarHBondContact O-N 3.31Å; V433-T453 HydrophobicContact CG1-CG2 3.89Å; V433-L456 HydrophobicContact CG1-CD1 4.08Å
434	T	94.8	Very high	92.5	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-40.8	-179	-56.1	0	0	0	0	112.4	V430 M431 C432 A438	V430-T434 WeakPolarHBondContact O-CB 3.37Å; V430-T434 PolarHBondContact O-N 2.96Å; V430-T434 PolarHBondContact O-OG1 3.21Å; M431-T434 PolarHBondContact O-N 3.47Å; C432-T434 PolarHBondContact O-N 3.28Å; T434-A438 VanDerWaalsContact O-CB 3.26Å; T434-A438 WeakPolarHBondContact O-CB 3.5Å; T434-A438 PolarHBondContact O-N 3.42Å
435	Y	94.5	Very high	91.9	Very high	85 Å²	85	63.8 Å²	63.8	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-74.6	-38.7	-179.3	-83.9	-116.1	0	0	0	112.7	G365 G369 M431 C432 V433 F437 A438 I439	G365-Y435 PolarHBondContact O-OH 3.16Å; G369-Y435 PolarHBondContact N-OH 2.78Å; M431-Y435 HydrophobicContact CG-CD2 3.72Å; M431-Y435 HydrophobicContact CG-CE2 3.45Å; M431-Y435 VanDerWaalsContact CG-CE2 3.45Å; M431-Y435 WeakPolarHBondContact O-CD2 3.49Å; M431-Y435 PolarHBondContact O-N 3.46Å; M431-Y435 HydrophobicContact SD-CE2 4.16Å; C432-Y435 PolarHBondContact O-N 3.33Å; V433-Y435 VanDerWaalsContact C-N 3.34Å; V433-Y435 PolarHBondContact O-N 2.91Å; Y435-F437 PolarHBondContact O-N 2.82Å; Y435-A438 PolarHBondContact O-N 3.4Å; Y435-A438 VanDerWaalsContact O-N 3.12Å; Y435-I439 PolarHBondContact O-N 2.79Å
436	V	94.8	Very high	91.4	Very high	71 Å²	71	62.9 Å²	62.9	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-49.8	177	167.6	0	0	0	0	110.2	C432 V433 A438 I439 I442	C432-V436 WeakPolarHBondContact O-CB 3.43Å; C432-V436 VanDerWaalsContact O-CG2 3.25Å; C432-V436 WeakPolarHBondContact O-CG2 3.25Å; C432-V436 PolarHBondContact O-N 2.84Å; V433-V436 PolarHBondContact O-N 3.41Å; V436-A438 PolarHBondContact O-N 3.09Å; V436-I439 WeakPolarHBondContact O-CB 3.48Å; V436-I439 WeakPolarHBondContact O-CG1 3.15Å; V436-I439 PolarHBondContact O-N 3.35Å; V436-I442 HydrophobicContact CG1-CD1 4Å; V436-I442 WeakPolarHBondContact O-CD1 3.17Å
437	F	93.8	Very high	90.6	Very high	66 Å²	66	64.9 Å²	64.9	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-72.4	-14.2	178.7	-76	-86	0	0	0	113.7	V433 Y435 I442 I443 A449 F450 T453	V433-F437 HydrophobicContact CG1-CD2 4.1Å; V433-F437 HydrophobicContact CG1-CE2 4.23Å; V433-F437 WeakPolarHBondContact O-CD2 3.44Å; V433-F437 PolarHBondContact O-N 3.31Å; Y435-F437 PolarHBondContact O-N 2.82Å; F437-I442 HydrophobicContact CD1-CG2 3.88Å; F437-I443 WeakPolarHBondContact O-CG1 3.37Å; F437-A449 HydrophobicContact CD1-CB 3.7Å; F437-A449 HydrophobicContact CE1-CB 3.6Å; F437-F450 WeakPolarHBondContact O-CD2 3.4Å; F437-T453 HydrophobicContact CB-CG2 4.31Å; F437-T453 WeakPolarHBondContact CB-OG1 3.09Å; F437-T453 HydrophobicContact CD1-CG2 4.48Å; F437-T453 HydrophobicContact CD2-CG2 3.66Å; F437-T453 HydrophobicContact CE2-CG2 4.03Å; F437-T453 HydrophobicContact CG-CG2 3.9Å
438	A	92.5	Very high	90	Very high	38 Å²	38	68.1 Å²	68.1	31%	0.314	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.4	174.2	0	0	0	0	0	114.2	T434 Y435 V436 I443 F450	T434-A438 VanDerWaalsContact O-CB 3.26Å; T434-A438 WeakPolarHBondContact O-CB 3.5Å; T434-A438 PolarHBondContact O-N 3.42Å; Y435-A438 PolarHBondContact O-N 3.4Å; Y435-A438 VanDerWaalsContact O-N 3.12Å; V436-A438 PolarHBondContact O-N 3.09Å; A438-I443 WeakPolarHBondContact O-CD1 3.46Å; A438-F450 HydrophobicContact CB-CD2 4.38Å; A438-F450 HydrophobicContact CB-CE2 4.21Å
439	I	92.2	Very high	89.6	Confident	79 Å²	79	67.2 Å²	67.2	41%	0.405	37%	0.374	S	S	.	.	S	Bend	trans	-67.4	133.5	174.3	-64.8	172.7	0	0	0	109.5	Y435 V436 T441 I442 I443	Y435-I439 PolarHBondContact O-N 2.79Å; V436-I439 WeakPolarHBondContact O-CB 3.48Å; V436-I439 WeakPolarHBondContact O-CG1 3.15Å; V436-I439 PolarHBondContact O-N 3.35Å; I439-T441 PolarHBondContact O-N 2.86Å; I439-T441 VanDerWaalsContact O-N 3.08Å; I439-I442 HydrophobicContact CB-CD1 4.39Å; I439-I442 PolarHBondContact O-N 3.33Å; I439-I443 PolarHBondContact O-N 3.42Å
440	P	88.2	Confident	89.3	Confident	99 Å²	99	64.7 Å²	64.7	64%	0.643	36%	0.359	S	S	*	.	H	α-helix	trans	-51	-39.2	-175.9	-30	35.5	0	0	0	114.9	I442 I443 T444	P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.3Å; P440-I443 PolarHBondContact O-N 2.87Å; P440-T444 PolarHBondContact O-N 3.47Å; P440-T444 PolarHBondContact O-OG1 2.96Å
441	T	88.5	Confident	88.7	Confident	98 Å²	98	68.5 Å²	68.5	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-34.3	178.6	-42.7	0	0	0	0	113.2	I439 T444 N445	I439-T441 PolarHBondContact O-N 2.86Å; I439-T441 VanDerWaalsContact O-N 3.08Å; T441-T444 PolarHBondContact O-OG1 2.93Å; T441-N445 PolarHBondContact O-ND2 2.94Å
442	I	88.5	Confident	88.5	Confident	51 Å²	51	72.6 Å²	72.6	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-79.6	-38.4	178.6	-68.4	168.6	0	0	0	109.7	V436 F437 I439 P440 T444 N445 A446	V436-I442 HydrophobicContact CG1-CD1 4Å; V436-I442 WeakPolarHBondContact O-CD1 3.17Å; F437-I442 HydrophobicContact CD1-CG2 3.88Å; I439-I442 HydrophobicContact CB-CD1 4.39Å; I439-I442 PolarHBondContact O-N 3.33Å; P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.3Å; I442-T444 VanDerWaalsContact C-N 3.29Å; I442-T444 PolarHBondContact O-N 3Å; I442-N445 PolarHBondContact O-N 3.45Å; I442-N445 VanDerWaalsContact O-N 3.16Å; I442-A446 HydrophobicContact CG2-CB 4.34Å; I442-A446 WeakPolarHBondContact O-CA 3.35Å; I442-A446 PolarHBondContact O-N 2.77Å
443	I	84.4	Confident	88.4	Confident	48 Å²	48	70.2 Å²	70.2	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-57.8	-41.4	177.3	-65.7	175.2	0	0	0	111.4	F437 A438 I439 P440 N445 Y447 F450	F437-I443 WeakPolarHBondContact O-CG1 3.37Å; A438-I443 WeakPolarHBondContact O-CD1 3.46Å; I439-I443 PolarHBondContact O-N 3.42Å; P440-I443 PolarHBondContact O-N 2.87Å; I443-N445 VanDerWaalsContact C-N 3.31Å; I443-N445 PolarHBondContact O-N 3.49Å; I443-Y447 HydrophobicContact CG2-CD2 4.03Å; I443-Y447 WeakPolarHBondContact O-CA 3.46Å; I443-Y447 PolarHBondContact O-N 3.4Å; I443-F450 HydrophobicContact CD1-CD2 4.05Å; I443-F450 HydrophobicContact CD1-CE2 4.07Å; I443-F450 HydrophobicContact CD1-CG 4.42Å; I443-F450 HydrophobicContact CD1-CZ 4.46Å; I443-F450 HydrophobicContact CG1-CB 4.22Å; I443-F450 HydrophobicContact CG1-CD1 4.46Å; I443-F450 HydrophobicContact CG1-CD2 3.88Å; I443-F450 HydrophobicContact CG1-CE2 4.4Å; I443-F450 HydrophobicContact CG1-CG 3.91Å
444	T	76.7	Confident	88.2	Confident	109 Å²	109	70.5 Å²	70.5	67%	0.669	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-30.6	-179.7	52.2	0	0	0	0	113.2	P440 T441 I442	P440-T444 PolarHBondContact O-N 3.47Å; P440-T444 PolarHBondContact O-OG1 2.96Å; T441-T444 PolarHBondContact O-OG1 2.93Å; I442-T444 VanDerWaalsContact C-N 3.29Å; I442-T444 PolarHBondContact O-N 3Å
445	N	81.4	Confident	88.1	Confident	137 Å²	137	74 Å²	74	73%	0.733	40%	0.397	S	S	*	.	H	α-helix	trans	-97	-32.9	-175.4	-64.1	-10.2	0	0	0	112.9	T441 I442 I443	T441-N445 PolarHBondContact O-ND2 2.94Å; I442-N445 PolarHBondContact O-N 3.45Å; I442-N445 VanDerWaalsContact O-N 3.16Å; I443-N445 VanDerWaalsContact C-N 3.31Å; I443-N445 PolarHBondContact O-N 3.49Å
446	A	83.8	Confident	88	Confident	36 Å²	36	72.9 Å²	72.9	30%	0.298	40%	0.396	S	S	.	.			trans	-136	51.6	-170.8	0	0	0	0	0	112	I442 H448 A449 F450	I442-A446 HydrophobicContact CG2-CB 4.34Å; I442-A446 WeakPolarHBondContact O-CA 3.35Å; I442-A446 PolarHBondContact O-N 2.77Å; A446-H448 PolarHBondContact O-N 3.28Å; A446-A449 HydrophobicContact CB-CB 4.14Å; A446-A449 WeakPolarHBondContact O-CB 3.29Å; A446-A449 PolarHBondContact O-N 2.99Å; A446-F450 PolarHBondContact O-N 3.11Å; A446-F450 VanDerWaalsContact O-N 3.1Å
447	Y	79	Confident	87.9	Confident	117 Å²	117	71.4 Å²	71.4	46%	0.459	39%	0.386	S	S	.	.	H	α-helix	trans	-53.3	-38.1	-179.1	-175.5	-98.8	0	0	0	113.9	I443 F450 H451	I443-Y447 HydrophobicContact CG2-CD2 4.03Å; I443-Y447 WeakPolarHBondContact O-CA 3.46Å; I443-Y447 PolarHBondContact O-N 3.4Å; Y447-F450 HydrophobicContact CD2-CD1 4.15Å; Y447-F450 HydrophobicContact CE2-CD1 4.07Å; Y447-F450 HydrophobicContact CE2-CE1 4.24Å; Y447-F450 WeakPolarHBondContact O-CB 3.34Å; Y447-F450 PolarHBondContact O-N 2.89Å; Y447-H451 PolarHBondContact O-N 3.2Å
448	H	82.1	Confident	87.8	Confident	90 Å²	90	75.8 Å²	75.8	42%	0.417	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-40.5	177.9	-57.3	-69	0	0	0	112.3	A446 H451 L452 M546 E548	A446-H448 PolarHBondContact O-N 3.28Å; H448-H451 PolarHBondContact O-N 3.48Å; H448-L452 WeakPolarHBondContact O-CB 3.18Å; H448-L452 PolarHBondContact O-N 2.81Å; H448-M546 HydrophobicContact CB-SD 4.27Å; H448-E548 IonicContact CE1-OE1 3.82Å; H448-E548 PolarHBondContact CE1-OE1 3.37Å; H448-E548 IonicContact CE1-OE2 3.57Å; H448-E548 IonicContact ND1-OE1 3.34Å; H448-E548 PolarHBondContact ND1-OE1 2.88Å
449	A	87.6	Confident	87.9	Confident	31 Å²	31	78 Å²	78	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-65.9	-44.3	177.4	0	0	0	0	0	110.3	F437 A446 H451 L452 T453	F437-A449 HydrophobicContact CD1-CB 3.7Å; F437-A449 HydrophobicContact CE1-CB 3.6Å; A446-A449 HydrophobicContact CB-CB 4.14Å; A446-A449 WeakPolarHBondContact O-CB 3.29Å; A446-A449 PolarHBondContact O-N 2.99Å; A449-H451 PolarHBondContact O-N 2.97Å; A449-L452 PolarHBondContact O-N 3.33Å; A449-T453 WeakPolarHBondContact O-CG2 3.32Å; A449-T453 PolarHBondContact O-N 3.36Å; A449-T453 PolarHBondContact O-OG1 3.19Å
450	F	89.5	Confident	88	Confident	38 Å²	38	74.7 Å²	74.7	17%	0.167	39%	0.394	C	S	.	.	H	α-helix	trans	-52.1	-53.1	171.8	159.9	-104.2	0	0	0	112	F437 A438 I443 A446 Y447 L452 T453 H454	F437-F450 WeakPolarHBondContact O-CD2 3.4Å; A438-F450 HydrophobicContact CB-CD2 4.38Å; A438-F450 HydrophobicContact CB-CE2 4.21Å; I443-F450 HydrophobicContact CD1-CD2 4.05Å; I443-F450 HydrophobicContact CD1-CE2 4.07Å; I443-F450 HydrophobicContact CD1-CG 4.42Å; I443-F450 HydrophobicContact CD1-CZ 4.46Å; I443-F450 HydrophobicContact CG1-CB 4.22Å; I443-F450 HydrophobicContact CG1-CD1 4.46Å; I443-F450 HydrophobicContact CG1-CD2 3.88Å; I443-F450 HydrophobicContact CG1-CE2 4.4Å; I443-F450 HydrophobicContact CG1-CG 3.91Å; A446-F450 PolarHBondContact O-N 3.11Å; A446-F450 VanDerWaalsContact O-N 3.1Å; Y447-F450 HydrophobicContact CD2-CD1 4.15Å; Y447-F450 HydrophobicContact CE2-CD1 4.07Å; Y447-F450 HydrophobicContact CE2-CE1 4.24Å; Y447-F450 WeakPolarHBondContact O-CB 3.34Å; Y447-F450 PolarHBondContact O-N 2.89Å; F450-L452 VanDerWaalsContact C-N 3.35Å; F450-L452 PolarHBondContact O-N 3.18Å; F450-T453 PolarHBondContact O-N 3.03Å; F450-T453 PolarHBondContact O-OG1 2.92Å; F450-H454 HydrophobicContact CE2-CB 4.44Å; F450-H454 VanDerWaalsContact O-CB 3.28Å; F450-H454 WeakPolarHBondContact O-CB 3.45Å; F450-H454 PolarHBondContact O-N 3.21Å
451	H	85	Confident	88.3	Confident	96 Å²	96	71.7 Å²	71.7	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-44.6	-178.3	-173.3	-87.2	0	0	0	111.6	Y447 H448 A449 H454 L455	Y447-H451 PolarHBondContact O-N 3.2Å; H448-H451 PolarHBondContact O-N 3.48Å; A449-H451 PolarHBondContact O-N 2.97Å; H451-H454 PolarHBondContact O-N 3.12Å; H451-L455 PolarHBondContact O-N 3.08Å
452	L	89.9	Confident	88.5	Confident	108 Å²	108	69.4 Å²	69.4	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-63.1	-47.9	178.2	-179.4	64.5	0	0	0	112.1	H448 A449 F450 H454 L455	H448-L452 WeakPolarHBondContact O-CB 3.18Å; H448-L452 PolarHBondContact O-N 2.81Å; A449-L452 PolarHBondContact O-N 3.33Å; F450-L452 VanDerWaalsContact C-N 3.35Å; F450-L452 PolarHBondContact O-N 3.18Å; L452-H454 VanDerWaalsContact C-N 3.27Å; L452-H454 PolarHBondContact O-N 3.03Å; L452-L455 HydrophobicContact CD1-CD1 4.47Å; L452-L455 WeakPolarHBondContact O-CB 3.33Å; L452-L455 PolarHBondContact O-N 2.89Å; L452-L455 VanDerWaalsContact O-N 3.14Å
453	T	93	Very high	88.8	Confident	17 Å²	17	67.9 Å²	67.9	10%	0.104	35%	0.354	C	S	.	.	H	α-helix	trans	-67	-31.3	179.8	53.9	0	0	0	0	112	V433 F437 A449 F450 L455 L456	V433-T453 HydrophobicContact CG1-CG2 3.89Å; F437-T453 HydrophobicContact CB-CG2 4.31Å; F437-T453 WeakPolarHBondContact CB-OG1 3.09Å; F437-T453 HydrophobicContact CD1-CG2 4.48Å; F437-T453 HydrophobicContact CD2-CG2 3.66Å; F437-T453 HydrophobicContact CE2-CG2 4.03Å; F437-T453 HydrophobicContact CG-CG2 3.9Å; A449-T453 WeakPolarHBondContact O-CG2 3.32Å; A449-T453 PolarHBondContact O-N 3.36Å; A449-T453 PolarHBondContact O-OG1 3.19Å; F450-T453 PolarHBondContact O-N 3.03Å; F450-T453 PolarHBondContact O-OG1 2.92Å; T453-L455 PolarHBondContact O-N 3.37Å; T453-L456 WeakPolarHBondContact O-CB 3.32Å; T453-L456 VanDerWaalsContact O-CG 3.3Å; T453-L456 WeakPolarHBondContact O-CG 3.47Å; T453-L456 PolarHBondContact O-N 3.43Å
454	H	92.3	Very high	89.2	Confident	59 Å²	59	66.8 Å²	66.8	27%	0.273	35%	0.349	S	S	.	.	H	α-helix	trans	-70.6	-19.3	176.5	-150.8	76.1	0	0	0	112.7	F450 H451 L452 L456 N457	F450-H454 HydrophobicContact CE2-CB 4.44Å; F450-H454 VanDerWaalsContact O-CB 3.28Å; F450-H454 WeakPolarHBondContact O-CB 3.45Å; F450-H454 PolarHBondContact O-N 3.21Å; H451-H454 PolarHBondContact O-N 3.12Å; L452-H454 VanDerWaalsContact C-N 3.27Å; L452-H454 PolarHBondContact O-N 3.03Å; H454-L456 PolarHBondContact O-N 3.02Å; H454-N457 PolarHBondContact CD2-ND2 2.88Å; H454-N457 PolarHBondContact CE1-ND2 2.8Å; H454-N457 PolarHBondContact NE2-ND2 2.85Å; H454-N457 VanDerWaalsContact O-CB 3.32Å; H454-N457 WeakPolarHBondContact O-CB 3.09Å; H454-N457 VanDerWaalsContact O-CG 3.24Å; H454-N457 PolarHBondContact O-N 3.15Å; H454-N457 PolarHBondContact O-ND2 2.88Å
455	L	91.9	Very high	90	Very high	82 Å²	82	64.8 Å²	64.8	43%	0.429	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20	168.6	-63.6	171.6	0	0	0	112.3	H451 L452 T453 N457 F458	H451-L455 PolarHBondContact O-N 3.08Å; L452-L455 HydrophobicContact CD1-CD1 4.47Å; L452-L455 WeakPolarHBondContact O-CB 3.33Å; L452-L455 PolarHBondContact O-N 2.89Å; L452-L455 VanDerWaalsContact O-N 3.14Å; T453-L455 PolarHBondContact O-N 3.37Å; L455-N457 PolarHBondContact O-N 2.97Å; L455-F458 HydrophobicContact CD2-CE2 4.12Å; L455-F458 VanDerWaalsContact O-CD2 3.27Å; L455-F458 WeakPolarHBondContact O-CD2 3.21Å; L455-F458 PolarHBondContact O-N 3.29Å; L455-F458 VanDerWaalsContact O-N 3.12Å
456	L	93.9	Very high	90.5	Very high	60 Å²	60	61.7 Å²	61.7	31%	0.314	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11	172.6	-59.7	173.2	0	0	0	112.5	V430 V433 T453 H454 F458 L459 L460	V430-L456 HydrophobicContact CG1-CB 3.96Å; V433-L456 HydrophobicContact CG1-CD1 4.08Å; T453-L456 WeakPolarHBondContact O-CB 3.32Å; T453-L456 VanDerWaalsContact O-CG 3.3Å; T453-L456 WeakPolarHBondContact O-CG 3.47Å; T453-L456 PolarHBondContact O-N 3.43Å; H454-L456 PolarHBondContact O-N 3.02Å; L456-F458 PolarHBondContact O-N 2.76Å; L456-L459 CarbonylContact O-C 3.54Å; L456-L459 WeakPolarHBondContact O-CA 3.33Å; L456-L459 WeakPolarHBondContact O-CB 3.32Å; L456-L459 PolarHBondContact O-N 3.41Å; L456-L460 PolarHBondContact O-N 3.22Å
457	N	92	Very high	90.9	Very high	40 Å²	40	62 Å²	62	21%	0.214	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-32.9	170.5	-73.5	-29.1	0	0	0	112.5	H454 L455 L459 L460 Y461	H454-N457 PolarHBondContact CD2-ND2 2.88Å; H454-N457 PolarHBondContact CE1-ND2 2.8Å; H454-N457 PolarHBondContact NE2-ND2 2.85Å; H454-N457 VanDerWaalsContact O-CB 3.32Å; H454-N457 WeakPolarHBondContact O-CB 3.09Å; H454-N457 VanDerWaalsContact O-CG 3.24Å; H454-N457 PolarHBondContact O-N 3.15Å; H454-N457 PolarHBondContact O-ND2 2.88Å; L455-N457 PolarHBondContact O-N 2.97Å; N457-L459 VanDerWaalsContact C-N 3.29Å; N457-L459 PolarHBondContact O-N 3.38Å; N457-L460 WeakPolarHBondContact O-CB 3.31Å; N457-L460 PolarHBondContact O-N 3.41Å; N457-Y461 WeakPolarHBondContact O-CD2 3.44Å; N457-Y461 PolarHBondContact O-N 2.92Å
458	F	92.3	Very high	91.2	Very high	159 Å²	159	57.8 Å²	57.8	70%	0.697	31%	0.306	S	S	*	.	H	α-helix	trans	-59.6	-43.2	172.8	-70.1	-71	0	0	0	111.5	L455 L456 A462	L455-F458 HydrophobicContact CD2-CE2 4.12Å; L455-F458 VanDerWaalsContact O-CD2 3.27Å; L455-F458 WeakPolarHBondContact O-CD2 3.21Å; L455-F458 PolarHBondContact O-N 3.29Å; L455-F458 VanDerWaalsContact O-N 3.12Å; L456-F458 PolarHBondContact O-N 2.76Å; F458-A462 PolarHBondContact O-N 2.86Å; F458-A462 VanDerWaalsContact O-N 3.11Å
459	L	93.9	Very high	91.3	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-40.3	175.4	-178.7	63.1	0	0	0	111.4	V430 L456 N457 Y461 A462 L463	V430-L459 HydrophobicContact CG2-CD2 4.12Å; L456-L459 CarbonylContact O-C 3.54Å; L456-L459 WeakPolarHBondContact O-CA 3.33Å; L456-L459 WeakPolarHBondContact O-CB 3.32Å; L456-L459 PolarHBondContact O-N 3.41Å; N457-L459 VanDerWaalsContact C-N 3.29Å; N457-L459 PolarHBondContact O-N 3.38Å; L459-Y461 PolarHBondContact O-N 3.48Å; L459-A462 PolarHBondContact O-N 3.02Å; L459-L463 HydrophobicContact CD1-CD1 4.13Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CD2-CD1 4.46Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.2Å; L459-L463 WeakPolarHBondContact O-CB 3.28Å; L459-L463 VanDerWaalsContact O-CG 3.3Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 3.09Å
460	L	95	Very high	91	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-48.3	175.4	-172.6	79.3	0	0	0	111.5	M328 L427 V430 M431 L456 N457 L463 T464	M328-L460 HydrophobicContact CE-CD2 3.76Å; M328-L460 HydrophobicContact SD-CD2 4.23Å; L427-L460 HydrophobicContact CD2-CD1 3.65Å; L427-L460 HydrophobicContact CD2-CG 4.24Å; L427-L460 WeakPolarHBondContact CD2-O 3.34Å; V430-L460 HydrophobicContact CB-CD1 4.46Å; V430-L460 HydrophobicContact CG1-CB 4.17Å; V430-L460 HydrophobicContact CG1-CD1 4.08Å; M431-L460 HydrophobicContact CB-CD1 4.38Å; L456-L460 PolarHBondContact O-N 3.22Å; N457-L460 WeakPolarHBondContact O-CB 3.31Å; N457-L460 PolarHBondContact O-N 3.41Å; L460-L463 PolarHBondContact O-N 3.11Å; L460-T464 WeakPolarHBondContact O-CB 3.25Å; L460-T464 PolarHBondContact O-N 2.53Å; L460-T464 PolarHBondContact O-OG1 3.5Å
461	Y	93.9	Very high	90.6	Very high	35 Å²	35	61.6 Å²	61.6	14%	0.137	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-43.4	177.6	-80.1	-71.2	0	0	0	112.3	M328 I331 L332 N457 L459 T464 V465 F478 I482	M328-Y461 HydrophobicContact CB-CE1 4.04Å; M328-Y461 PolarHBondContact O-OH 2.91Å; M328-Y461 HydrophobicContact SD-CE1 4.46Å; I331-Y461 VanDerWaalsContact CG2-OH 3.25Å; I331-Y461 WeakPolarHBondContact CG2-OH 3.39Å; L332-Y461 HydrophobicContact CD1-CE1 4.19Å; L332-Y461 HydrophobicContact CD2-CE2 3.71Å; L332-Y461 VanDerWaalsContact CD2-OH 3.24Å; L332-Y461 WeakPolarHBondContact CD2-OH 3.44Å; L332-Y461 HydrophobicContact CG-CE1 4.49Å; L332-Y461 HydrophobicContact CG-CE2 4.4Å; L332-Y461 VanDerWaalsContact CG-OH 3.26Å; L332-Y461 WeakPolarHBondContact CG-OH 3.5Å; N457-Y461 WeakPolarHBondContact O-CD2 3.44Å; N457-Y461 PolarHBondContact O-N 2.92Å; L459-Y461 PolarHBondContact O-N 3.48Å; Y461-T464 PolarHBondContact O-N 3.36Å; Y461-V465 WeakPolarHBondContact O-CG2 3.45Å; Y461-V465 PolarHBondContact O-N 3Å; Y461-V465 VanDerWaalsContact O-N 3.1Å; Y461-F478 HydrophobicContact CD1-CE1 4.48Å; Y461-F478 AromaticContact CD1-CZ 3.98Å; Y461-F478 HydrophobicContact CD1-CZ 3.98Å; Y461-F478 HydrophobicContact CE1-CZ 4.28Å; Y461-I482 HydrophobicContact CD1-CD1 3.16Å; Y461-I482 HydrophobicContact CD1-CG1 4.46Å; Y461-I482 HydrophobicContact CE1-CD1 3.47Å; Y461-I482 VanDerWaalsContact CE1-CD1 3.47Å; Y461-I482 HydrophobicContact CE1-CG1 4.41Å; Y461-I482 HydrophobicContact CG-CD1 4.13Å
462	A	93.4	Very high	90.2	Very high	50 Å²	50	58.5 Å²	58.5	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-47.2	176.7	0	0	0	0	0	111.8	F458 L459 T464 V465 I466	F458-A462 PolarHBondContact O-N 2.86Å; F458-A462 VanDerWaalsContact O-N 3.11Å; L459-A462 PolarHBondContact O-N 3.02Å; A462-T464 VanDerWaalsContact C-N 3.32Å; A462-T464 PolarHBondContact O-N 2.82Å; A462-V465 PolarHBondContact O-N 2.91Å; A462-I466 WeakPolarHBondContact O-CG1 3.33Å; A462-I466 PolarHBondContact O-N 2.96Å; A462-I466 VanDerWaalsContact O-N 3.16Å
463	L	94.6	Very high	89.5	Confident	20 Å²	20	54.4 Å²	54.4	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-36.2	176.7	-72.6	174.7	0	0	0	112.1	T423 L426 L427 V430 L459 L460 I466 H467	T423-L463 HydrophobicContact CG2-CD2 4.47Å; L426-L463 HydrophobicContact CB-CD1 3.98Å; L426-L463 HydrophobicContact CD1-CD2 4.35Å; L427-L463 HydrophobicContact CD2-CB 3.52Å; L427-L463 HydrophobicContact CD2-CD1 4.42Å; L427-L463 HydrophobicContact CG-CB 3.92Å; V430-L463 HydrophobicContact CG2-CD1 4.36Å; L459-L463 HydrophobicContact CD1-CD1 4.13Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CD2-CD1 4.46Å; L459-L463 HydrophobicContact CG-CD1 3.86Å; L459-L463 HydrophobicContact CG-CG 4.2Å; L459-L463 WeakPolarHBondContact O-CB 3.28Å; L459-L463 VanDerWaalsContact O-CG 3.3Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 3.09Å; L460-L463 PolarHBondContact O-N 3.11Å; L463-I466 PolarHBondContact O-N 3.35Å; L463-H467 VanDerWaalsContact O-CB 3.27Å; L463-H467 WeakPolarHBondContact O-CB 3.47Å; L463-H467 PolarHBondContact O-N 3.12Å
464	T	93.1	Very high	88.5	Confident	24 Å²	24	54.6 Å²	54.6	15%	0.147	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-37.6	178.1	-55.3	0	0	0	0	111.7	L427 L460 Y461 A462 H467 F478	L427-T464 WeakPolarHBondContact CD2-OG1 3.49Å; L460-T464 WeakPolarHBondContact O-CB 3.25Å; L460-T464 PolarHBondContact O-N 2.53Å; L460-T464 PolarHBondContact O-OG1 3.5Å; Y461-T464 PolarHBondContact O-N 3.36Å; A462-T464 VanDerWaalsContact C-N 3.32Å; A462-T464 PolarHBondContact O-N 2.82Å; T464-H467 PolarHBondContact O-N 3.21Å; T464-F478 HydrophobicContact CG2-CD1 3.91Å; T464-F478 HydrophobicContact CG2-CD2 3.98Å; T464-F478 HydrophobicContact CG2-CE1 3.68Å; T464-F478 HydrophobicContact CG2-CE2 3.77Å; T464-F478 HydrophobicContact CG2-CG 4.05Å; T464-F478 HydrophobicContact CG2-CZ 3.6Å
465	V	91.8	Very high	87.9	Confident	68 Å²	68	56 Å²	56	41%	0.412	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-49.4	172.4	173.7	0	0	0	0	109.9	Y461 A462 H467 G468 L469 F478	Y461-V465 WeakPolarHBondContact O-CG2 3.45Å; Y461-V465 PolarHBondContact O-N 3Å; Y461-V465 VanDerWaalsContact O-N 3.1Å; A462-V465 PolarHBondContact O-N 2.91Å; V465-H467 VanDerWaalsContact C-N 3.32Å; V465-H467 PolarHBondContact O-N 3.49Å; V465-G468 PolarHBondContact O-N 3.47Å; V465-L469 WeakPolarHBondContact O-CG 3.39Å; V465-F478 HydrophobicContact CG2-CD1 3.91Å; V465-F478 HydrophobicContact CG2-CE1 3.93Å
466	I	92	Very high	87.4	Confident	71 Å²	71	53.8 Å²	53.8	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-38.3	-179.6	-60.5	167.5	0	0	0	111.6	V419 T423 A462 L463 G468 L469	V419-I466 HydrophobicContact CG1-CG2 3.9Å; T423-I466 HydrophobicContact CG2-CB 4.3Å; T423-I466 HydrophobicContact CG2-CG2 3.83Å; A462-I466 WeakPolarHBondContact O-CG1 3.33Å; A462-I466 PolarHBondContact O-N 2.96Å; A462-I466 VanDerWaalsContact O-N 3.16Å; L463-I466 PolarHBondContact O-N 3.35Å; I466-G468 PolarHBondContact O-N 2.75Å; I466-G468 VanDerWaalsContact O-N 3.17Å; I466-L469 HydrophobicContact CB-CD1 4.44Å; I466-L469 HydrophobicContact CG1-CD1 4.39Å; I466-L469 WeakPolarHBondContact O-CB 3.36Å; I466-L469 PolarHBondContact O-N 2.89Å
467	H	91.8	Very high	86.8	Confident	44 Å²	44	52.8 Å²	52.8	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-31	179.7	-175	70.7	0	0	0	113.2	T420 T423 G424 L427 L463 T464 V465	T420-H467 VanDerWaalsContact CG2-O 3.23Å; T420-H467 WeakPolarHBondContact CG2-O 3.35Å; T420-H467 PolarHBondContact O-CE1 2.9Å; T420-H467 PolarHBondContact O-ND1 3.3Å; T423-H467 WeakPolarHBondContact OG1-CA 3.5Å; T423-H467 WeakPolarHBondContact OG1-CB 3.05Å; T423-H467 PolarHBondContact OG1-ND1 3.1Å; G424-H467 PolarHBondContact N-ND1 2.81Å; L427-H467 HydrophobicContact CD1-CB 3.89Å; L463-H467 VanDerWaalsContact O-CB 3.27Å; L463-H467 WeakPolarHBondContact O-CB 3.47Å; L463-H467 PolarHBondContact O-N 3.12Å; T464-H467 PolarHBondContact O-N 3.21Å; V465-H467 VanDerWaalsContact C-N 3.32Å; V465-H467 PolarHBondContact O-N 3.49Å
468	G	85.5	Confident	86.6	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.8	176.8	0	0	0	0	0	115.6	V465 I466 Q470	V465-G468 PolarHBondContact O-N 3.47Å; I466-G468 PolarHBondContact O-N 2.75Å; I466-G468 VanDerWaalsContact O-N 3.17Å; G468-Q470 PolarHBondContact O-N 2.63Å
469	L	85.3	Confident	86.3	Confident	98 Å²	98	50.1 Å²	50.1	51%	0.513	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-27.7	-168.7	-72.7	177.7	0	0	0	114.5	V465 I466 K471	V465-L469 WeakPolarHBondContact O-CG 3.39Å; I466-L469 HydrophobicContact CB-CD1 4.44Å; I466-L469 HydrophobicContact CG1-CD1 4.39Å; I466-L469 WeakPolarHBondContact O-CB 3.36Å; I466-L469 PolarHBondContact O-N 2.89Å; L469-K471 PolarHBondContact O-N 3.46Å
470	Q	80.9	Confident	86	Confident	34 Å²	34	53.6 Å²	53.6	16%	0.159	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	5.5	-177.4	-154.6	-172.4	-26.4	0	0	113.5	T420 G468 L472	T420-Q470 HydrophobicContact CG2-CB 3.68Å; G468-Q470 PolarHBondContact O-N 2.63Å; Q470-L472 HydrophobicContact CG-CG 4.46Å; Q470-L472 PolarHBondContact O-N 3.2Å
471	K	82	Confident	85.7	Confident	107 Å²	107	55.9 Å²	55.9	47%	0.465	29%	0.291	S	S	.	.			trans	41.2	24.9	174.3	-51.8	173.4	-175.6	170.9	0	118	E400 L469 V473 S474	E400-K471 WeakPolarHBondContact OE2-CB 3.47Å; L469-K471 PolarHBondContact O-N 3.46Å; K471-V473 PolarHBondContact O-N 2.81Å; K471-S474 WeakPolarHBondContact CA-O 3.21Å; K471-S474 PolarHBondContact O-N 2.98Å
472	L	75.7	Confident	85.6	Confident	31 Å²	31	55 Å²	55	16%	0.162	29%	0.289	C	S	.	.	S	Bend	trans	-49.5	-34.7	-172.8	-78.1	162	0	0	0	115.3	F398 A401 W414 T420 Q470	F398-L472 HydrophobicContact CD1-CD2 3.96Å; F398-L472 WeakPolarHBondContact CD1-O 3.46Å; A401-L472 HydrophobicContact CB-CD2 4.36Å; W414-L472 HydrophobicContact CZ3-CD2 4.05Å; T420-L472 HydrophobicContact CG2-CD1 3.43Å; T420-L472 VanDerWaalsContact CG2-CD1 3.43Å; T420-L472 HydrophobicContact CG2-CG 4.34Å; T420-L472 WeakPolarHBondContact OG1-CD1 3.37Å; Q470-L472 HydrophobicContact CG-CG 4.46Å; Q470-L472 PolarHBondContact O-N 3.2Å
473	V	75	Confident	85.5	Confident	23 Å²	23	55.8 Å²	55.8	14%	0.139	29%	0.288	C	S	.	.	S	Bend	trans	-121.3	-27.6	-178.5	178.9	0	0	0	0	112.4	L306 I314 R318 K471	L306-V473 HydrophobicContact CD1-CG1 4.17Å; I314-V473 HydrophobicContact CD1-CG1 4.04Å; I314-V473 HydrophobicContact CD1-CG2 4.16Å; R318-V473 HydrophobicContact CG-CG1 4.39Å; K471-V473 PolarHBondContact O-N 2.81Å
474	S	72.3	Confident	85.5	Confident	21 Å²	21	56.6 Å²	56.6	15%	0.147	30%	0.302	C	S	.	.	S	Bend	trans	-163.9	165.2	179.5	79.3	0	0	0	0	111.3	R318 K471	R318-S474 PolarHBondContact NH1-OG 2.88Å; R318-S474 PolarHBondContact NH2-OG 3.41Å; K471-S474 WeakPolarHBondContact CA-O 3.21Å; K471-S474 PolarHBondContact O-N 2.98Å
475	P	79.2	Confident	85.6	Confident	88 Å²	88	56.4 Å²	56.4	57%	0.571	30%	0.301	S	S	*	.			trans	-53	149.3	164.8	-24.7	34.4	0	0	0	112.2	S477	P475-S477 PolarHBondContact O-N 3.02Å
476	P	81.1	Confident	85.6	Confident	36 Å²	36	55.8 Å²	55.8	23%	0.234	30%	0.297	C	S	.	.			trans	-68.1	114.6	-179.4	27.4	-34.2	0	0	0	109.7	W479	P476-W479 PolarHBondContact O-NE1 3.34Å
477	S	82.3	Confident	85.8	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	30%	0.3	S	S	.	.			trans	-97	-11.7	178	59.6	0	0	0	0	113.8	P475 W479 Y480 Y481	P475-S477 PolarHBondContact O-N 3.02Å; S477-W479 VanDerWaalsContact C-N 3.26Å; S477-W479 PolarHBondContact O-N 3.33Å; S477-Y480 WeakPolarHBondContact O-CD2 3.27Å; S477-Y480 PolarHBondContact O-N 3.2Å; S477-Y481 WeakPolarHBondContact O-CD2 3.48Å
478	F	87.5	Confident	85.9	Confident	17 Å²	17	57.4 Å²	57.4	8%	0.075	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-36.9	-174.7	-179.1	-115.8	0	0	0	113	M328 Y461 T464 V465 Y480 Y481 I482	M328-F478 HydrophobicContact CB-CE2 4Å; M328-F478 HydrophobicContact CB-CZ 4.38Å; Y461-F478 HydrophobicContact CD1-CE1 4.48Å; Y461-F478 AromaticContact CD1-CZ 3.98Å; Y461-F478 HydrophobicContact CD1-CZ 3.98Å; Y461-F478 HydrophobicContact CE1-CZ 4.28Å; T464-F478 HydrophobicContact CG2-CD1 3.91Å; T464-F478 HydrophobicContact CG2-CD2 3.98Å; T464-F478 HydrophobicContact CG2-CE1 3.68Å; T464-F478 HydrophobicContact CG2-CE2 3.77Å; T464-F478 HydrophobicContact CG2-CG 4.05Å; T464-F478 HydrophobicContact CG2-CZ 3.6Å; V465-F478 HydrophobicContact CG2-CD1 3.91Å; V465-F478 HydrophobicContact CG2-CE1 3.93Å; F478-Y480 VanDerWaalsContact C-N 3.25Å; F478-Y480 PolarHBondContact O-N 3.21Å; F478-Y481 PolarHBondContact O-N 3.49Å; F478-Y481 VanDerWaalsContact O-N 3.08Å; F478-I482 HydrophobicContact CD1-CG2 4.38Å; F478-I482 HydrophobicContact CE1-CB 4.41Å; F478-I482 HydrophobicContact CE1-CD1 3.76Å; F478-I482 HydrophobicContact CE1-CG2 4.24Å; F478-I482 HydrophobicContact CZ-CB 4.38Å; F478-I482 HydrophobicContact CZ-CD1 3.72Å; F478-I482 PolarHBondContact O-N 2.8Å
479	W	86.3	Confident	86.3	Confident	126 Å²	126	57.6 Å²	57.6	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-30.8	-177.8	69.2	-93.7	0	0	0	113	P476 S477 Y481 I482 T483	P476-W479 PolarHBondContact O-NE1 3.34Å; S477-W479 VanDerWaalsContact C-N 3.26Å; S477-W479 PolarHBondContact O-N 3.33Å; W479-Y481 VanDerWaalsContact C-N 3.33Å; W479-Y481 PolarHBondContact O-N 2.58Å; W479-I482 PolarHBondContact O-N 2.74Å; W479-T483 WeakPolarHBondContact O-CB 3.47Å; W479-T483 PolarHBondContact O-N 3.26Å; W479-T483 VanDerWaalsContact O-N 3.09Å; W479-T483 PolarHBondContact O-OG1 3.04Å
480	Y	87.4	Confident	86.7	Confident	157 Å²	157	56.7 Å²	56.7	62%	0.616	30%	0.299	S	S	*	.	H	α-helix	trans	-64.8	-36.2	175.7	-62.4	-71	0	0	0	112.3	S477 F478	S477-Y480 WeakPolarHBondContact O-CD2 3.27Å; S477-Y480 PolarHBondContact O-N 3.2Å; F478-Y480 VanDerWaalsContact C-N 3.25Å; F478-Y480 PolarHBondContact O-N 3.21Å
481	Y	88.7	Confident	87.3	Confident	58 Å²	58	61.2 Å²	61.2	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-75.7	-32.1	-179.6	-68.5	-85.6	0	0	0	112.8	L326 S477 F478 W479 P485	L326-Y481 HydrophobicContact CB-CD1 4.28Å; L326-Y481 HydrophobicContact CB-CE1 4.27Å; L326-Y481 HydrophobicContact CD1-CD1 4.47Å; S477-Y481 WeakPolarHBondContact O-CD2 3.48Å; F478-Y481 PolarHBondContact O-N 3.49Å; F478-Y481 VanDerWaalsContact O-N 3.08Å; W479-Y481 VanDerWaalsContact C-N 3.33Å; W479-Y481 PolarHBondContact O-N 2.58Å; Y481-P485 WeakPolarHBondContact O-CD 3.07Å; Y481-P485 WeakPolarHBondContact O-CG 3.39Å
482	I	92.6	Very high	87.8	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.092	30%	0.298	C	S	.	.	H	α-helix	trans	-97.1	-27.3	-169.8	-166.7	168.1	0	0	0	114.3	L332 Y461 F478 W479 G484 P485 V486	L332-I482 HydrophobicContact CD1-CG1 4.28Å; Y461-I482 HydrophobicContact CD1-CD1 3.16Å; Y461-I482 HydrophobicContact CD1-CG1 4.46Å; Y461-I482 HydrophobicContact CE1-CD1 3.47Å; Y461-I482 VanDerWaalsContact CE1-CD1 3.47Å; Y461-I482 HydrophobicContact CE1-CG1 4.41Å; Y461-I482 HydrophobicContact CG-CD1 4.13Å; F478-I482 HydrophobicContact CD1-CG2 4.38Å; F478-I482 HydrophobicContact CE1-CB 4.41Å; F478-I482 HydrophobicContact CE1-CD1 3.76Å; F478-I482 HydrophobicContact CE1-CG2 4.24Å; F478-I482 HydrophobicContact CZ-CB 4.38Å; F478-I482 HydrophobicContact CZ-CD1 3.72Å; F478-I482 PolarHBondContact O-N 2.8Å; W479-I482 PolarHBondContact O-N 2.74Å; I482-G484 PolarHBondContact O-N 3.45Å; I482-P485 WeakPolarHBondContact O-CD 3.39Å; I482-V486 HydrophobicContact CD1-CG2 3.98Å; I482-V486 HydrophobicContact CG1-CB 4.5Å; I482-V486 HydrophobicContact CG1-CG2 3.44Å; I482-V486 VanDerWaalsContact CG1-CG2 3.44Å; I482-V486 WeakPolarHBondContact O-CB 3.44Å; I482-V486 WeakPolarHBondContact O-CG2 3.41Å; I482-V486 PolarHBondContact O-N 3.26Å
483	T	91.5	Very high	88.4	Confident	65 Å²	65	60.4 Å²	60.4	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-56.1	-49.4	-173.7	-62.7	0	0	0	0	112.2	W479 I487	W479-T483 WeakPolarHBondContact O-CB 3.47Å; W479-T483 PolarHBondContact O-N 3.26Å; W479-T483 VanDerWaalsContact O-N 3.09Å; W479-T483 PolarHBondContact O-OG1 3.04Å; T483-I487 HydrophobicContact CG2-CD1 3.81Å; T483-I487 WeakPolarHBondContact O-CD1 3.28Å; T483-I487 WeakPolarHBondContact O-CG1 3.22Å; T483-I487 PolarHBondContact O-N 3.25Å
484	G	93.2	Very high	89.1	Confident	38 Å²	38	63.3 Å²	63.3	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-56.8	177.7	0	0	0	0	0	113.2	I482 V486 I487 I488	I482-G484 PolarHBondContact O-N 3.45Å; G484-V486 VanDerWaalsContact C-N 3.31Å; G484-V486 PolarHBondContact O-N 3.09Å; G484-I487 PolarHBondContact O-N 3.28Å; G484-I488 WeakPolarHBondContact O-CG1 3.25Å; G484-I488 PolarHBondContact O-N 3.01Å; G484-I488 VanDerWaalsContact O-N 3.07Å
485	P	94.6	Very high	89.8	Confident	19 Å²	19	65.7 Å²	65.7	12%	0.123	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-36.9	177.6	-29.3	36.2	0	0	0	115	G329 L332 L333 Y481 I482 I488 L489	G329-P485 VanDerWaalsContact O-CB 3.27Å; G329-P485 WeakPolarHBondContact O-CB 3.41Å; G329-P485 WeakPolarHBondContact O-CG 3.48Å; L332-P485 HydrophobicContact CB-CB 4.14Å; L332-P485 HydrophobicContact CD1-CB 4.23Å; L333-P485 HydrophobicContact CD2-CB 4.02Å; L333-P485 HydrophobicContact CD2-CG 4.45Å; L333-P485 HydrophobicContact CG-CB 4.2Å; L333-P485 HydrophobicContact CG-CG 4.42Å; Y481-P485 WeakPolarHBondContact O-CD 3.07Å; Y481-P485 WeakPolarHBondContact O-CG 3.39Å; I482-P485 WeakPolarHBondContact O-CD 3.39Å; P485-I488 PolarHBondContact O-N 3.46Å; P485-L489 WeakPolarHBondContact O-CB 3.34Å; P485-L489 PolarHBondContact O-N 2.91Å
486	V	93.7	Very high	89.9	Confident	55 Å²	55	62.2 Å²	62.2	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-68.5	-42.3	176.4	165.5	0	0	0	0	111.6	L332 I482 G484 I488 L489 V490	L332-V486 HydrophobicContact CD1-CG2 3.71Å; I482-V486 HydrophobicContact CD1-CG2 3.98Å; I482-V486 HydrophobicContact CG1-CB 4.5Å; I482-V486 HydrophobicContact CG1-CG2 3.44Å; I482-V486 VanDerWaalsContact CG1-CG2 3.44Å; I482-V486 WeakPolarHBondContact O-CB 3.44Å; I482-V486 WeakPolarHBondContact O-CG2 3.41Å; I482-V486 PolarHBondContact O-N 3.26Å; G484-V486 VanDerWaalsContact C-N 3.31Å; G484-V486 PolarHBondContact O-N 3.09Å; V486-I488 VanDerWaalsContact C-N 3.31Å; V486-I488 PolarHBondContact O-N 2.63Å; V486-L489 WeakPolarHBondContact O-CB 3.29Å; V486-L489 PolarHBondContact O-N 2.9Å; V486-V490 HydrophobicContact CG1-CG2 4.34Å; V486-V490 VanDerWaalsContact O-CG2 3.32Å; V486-V490 WeakPolarHBondContact O-CG2 3.34Å; V486-V490 PolarHBondContact O-N 3.47Å
487	I	95	Very high	89.9	Confident	84 Å²	84	66.6 Å²	66.6	43%	0.431	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-47	175.4	-70.9	166.3	0	0	0	110.2	T483 G484 L489 V490 F491	T483-I487 HydrophobicContact CG2-CD1 3.81Å; T483-I487 WeakPolarHBondContact O-CD1 3.28Å; T483-I487 WeakPolarHBondContact O-CG1 3.22Å; T483-I487 PolarHBondContact O-N 3.25Å; G484-I487 PolarHBondContact O-N 3.28Å; I487-L489 PolarHBondContact O-N 3.48Å; I487-V490 PolarHBondContact O-N 2.76Å; I487-F491 HydrophobicContact CG2-CD2 3.69Å; I487-F491 HydrophobicContact CG2-CE2 3.52Å; I487-F491 WeakPolarHBondContact O-CD2 3.35Å; I487-F491 PolarHBondContact O-N 3.44Å
488	I	95.2	Very high	89.8	Confident	65 Å²	65	75.5 Å²	75.5	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-44.1	177.7	-64.5	166.5	0	0	0	110.9	L333 M339 G484 P485 V486 V490 F491 D492	L333-I488 HydrophobicContact CD2-CB 4.25Å; L333-I488 HydrophobicContact CD2-CD1 3.8Å; L333-I488 HydrophobicContact CD2-CG2 4.15Å; M339-I488 HydrophobicContact CG-CG2 4.42Å; M339-I488 HydrophobicContact SD-CG2 3.36Å; M339-I488 WeakPolarHBondContact SD-CG2 3.39Å; G484-I488 WeakPolarHBondContact O-CG1 3.25Å; G484-I488 PolarHBondContact O-N 3.01Å; G484-I488 VanDerWaalsContact O-N 3.07Å; P485-I488 PolarHBondContact O-N 3.46Å; V486-I488 VanDerWaalsContact C-N 3.31Å; V486-I488 PolarHBondContact O-N 2.63Å; I488-V490 VanDerWaalsContact C-N 3.35Å; I488-V490 PolarHBondContact O-N 2.87Å; I488-F491 PolarHBondContact O-N 3.42Å; I488-D492 WeakPolarHBondContact O-CB 3.48Å; I488-D492 PolarHBondContact O-N 3.18Å
489	L	93.6	Very high	89.2	Confident	32 Å²	32	79.6 Å²	79.6	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-59.8	-43.9	176.3	-178.6	69.3	0	0	0	111.9	L332 P485 V486 I487 D492 R493	L332-L489 HydrophobicContact CD2-CD2 4.14Å; P485-L489 WeakPolarHBondContact O-CB 3.34Å; P485-L489 PolarHBondContact O-N 2.91Å; V486-L489 WeakPolarHBondContact O-CB 3.29Å; V486-L489 PolarHBondContact O-N 2.9Å; I487-L489 PolarHBondContact O-N 3.48Å; L489-D492 PolarHBondContact O-N 2.94Å; L489-R493 VanDerWaalsContact O-CG 3.25Å; L489-R493 WeakPolarHBondContact O-CG 3.37Å; L489-R493 PolarHBondContact O-N 2.8Å
490	V	93	Very high	88.3	Confident	79 Å²	79	76 Å²	76	48%	0.479	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-46.5	177.7	170.8	0	0	0	0	110.5	V486 I487 I488 D492 R493 L494	V486-V490 HydrophobicContact CG1-CG2 4.34Å; V486-V490 VanDerWaalsContact O-CG2 3.32Å; V486-V490 WeakPolarHBondContact O-CG2 3.34Å; V486-V490 PolarHBondContact O-N 3.47Å; I487-V490 PolarHBondContact O-N 2.76Å; I488-V490 VanDerWaalsContact C-N 3.35Å; I488-V490 PolarHBondContact O-N 2.87Å; V490-D492 PolarHBondContact O-N 2.63Å; V490-R493 PolarHBondContact O-N 3.31Å; V490-L494 HydrophobicContact CG1-CD1 4.06Å; V490-L494 HydrophobicContact CG1-CG 4.42Å; V490-L494 VanDerWaalsContact O-CG 3.3Å; V490-L494 WeakPolarHBondContact O-CG 3.34Å; V490-L494 PolarHBondContact O-N 3.16Å
491	F	93.5	Very high	87.3	Confident	128 Å²	128	70.7 Å²	70.7	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-42.9	175.2	-79.2	-65.1	0	0	0	112.7	I487 I488 R493 L494 I495	I487-F491 HydrophobicContact CG2-CD2 3.69Å; I487-F491 HydrophobicContact CG2-CE2 3.52Å; I487-F491 WeakPolarHBondContact O-CD2 3.35Å; I487-F491 PolarHBondContact O-N 3.44Å; I488-F491 PolarHBondContact O-N 3.42Å; F491-R493 VanDerWaalsContact C-N 3.29Å; F491-R493 PolarHBondContact O-N 2.81Å; F491-L494 PolarHBondContact O-N 2.96Å; F491-I495 VanDerWaalsContact O-CG1 3.3Å; F491-I495 WeakPolarHBondContact O-CG1 2.96Å; F491-I495 PolarHBondContact O-N 3.42Å
492	D	91.9	Very high	86.1	Confident	7 Å²	7	75.4 Å²	75.4	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-59.9	-40.4	176.6	-170.2	89	0	0	0	111.6	C336 R337 N338 M339 I488 L489 V490 S496	C336-D492 VanDerWaalsContact C-OD1 3.31Å; C336-D492 HydrophobicContact CB-CB 4.06Å; R337-D492 PolarHBondContact N-OD1 3.38Å; R337-D492 PolarHBondContact N-OD2 2.94Å; N338-D492 WeakPolarHBondContact CA-OD1 3.47Å; N338-D492 WeakPolarHBondContact CB-OD1 3.44Å; N338-D492 PolarHBondContact N-OD1 3.27Å; N338-D492 PolarHBondContact ND2-O 3.46Å; M339-D492 PolarHBondContact N-OD1 2.95Å; I488-D492 WeakPolarHBondContact O-CB 3.48Å; I488-D492 PolarHBondContact O-N 3.18Å; L489-D492 PolarHBondContact O-N 2.94Å; V490-D492 PolarHBondContact O-N 2.63Å; D492-S496 PolarHBondContact O-N 3.14Å; D492-S496 PolarHBondContact O-OG 2.86Å
493	R	89	Confident	85.2	Confident	115 Å²	115	81.2 Å²	81.2	43%	0.434	39%	0.393	S	S	.	.	H	α-helix	trans	-69.1	-41.7	175.2	-66	-61	175.3	179.1	-0.3	112.5	L489 V490 F491 I495 S496 M497	L489-R493 VanDerWaalsContact O-CG 3.25Å; L489-R493 WeakPolarHBondContact O-CG 3.37Å; L489-R493 PolarHBondContact O-N 2.8Å; V490-R493 PolarHBondContact O-N 3.31Å; F491-R493 VanDerWaalsContact C-N 3.29Å; F491-R493 PolarHBondContact O-N 2.81Å; R493-I495 VanDerWaalsContact C-N 3.33Å; R493-I495 PolarHBondContact O-N 3.21Å; R493-S496 WeakPolarHBondContact O-CB 3.25Å; R493-S496 PolarHBondContact O-N 2.97Å; R493-M497 VanDerWaalsContact O-CG 3.3Å; R493-M497 WeakPolarHBondContact O-CG 3.47Å; R493-M497 PolarHBondContact O-N 3.29Å
494	L	89.6	Confident	84.6	Confident	83 Å²	83	78.7 Å²	78.7	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-62.1	-40.5	175.3	-71.1	173.1	0	0	0	111.9	V490 F491 M497 R498	V490-L494 HydrophobicContact CG1-CD1 4.06Å; V490-L494 HydrophobicContact CG1-CG 4.42Å; V490-L494 VanDerWaalsContact O-CG 3.3Å; V490-L494 WeakPolarHBondContact O-CG 3.34Å; V490-L494 PolarHBondContact O-N 3.16Å; F491-L494 PolarHBondContact O-N 2.96Å; L494-M497 PolarHBondContact O-N 2.82Å; L494-R498 WeakPolarHBondContact O-CG 3.26Å; L494-R498 PolarHBondContact O-N 2.85Å; L494-R498 VanDerWaalsContact O-N 3.13Å
495	I	86.5	Confident	83.9	Confident	72 Å²	72	83.6 Å²	83.6	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174.5	-67.8	166	0	0	0	110.4	N338 F491 R493 M497 R498 R499	N338-I495 HydrophobicContact CB-CG2 4.22Å; F491-I495 VanDerWaalsContact O-CG1 3.3Å; F491-I495 WeakPolarHBondContact O-CG1 2.96Å; F491-I495 PolarHBondContact O-N 3.42Å; R493-I495 VanDerWaalsContact C-N 3.33Å; R493-I495 PolarHBondContact O-N 3.21Å; I495-M497 VanDerWaalsContact C-N 3.34Å; I495-M497 PolarHBondContact O-N 2.94Å; I495-R498 PolarHBondContact O-N 3.37Å; I495-R498 VanDerWaalsContact O-N 3.17Å; I495-R499 WeakPolarHBondContact O-CG 3.2Å; I495-R499 PolarHBondContact O-N 3.02Å; I495-R499 VanDerWaalsContact O-N 3.1Å
496	S	81.9	Confident	83.6	Confident	14 Å²	14	83.5 Å²	83.5	10%	0.098	39%	0.389	C	S	.	.	H	α-helix	trans	-56.1	-49.7	176.3	-54.7	0	0	0	0	110.9	N338 D492 R493 R498 R499 D500	N338-S496 PolarHBondContact ND2-OG 3.41Å; D492-S496 PolarHBondContact O-N 3.14Å; D492-S496 PolarHBondContact O-OG 2.86Å; R493-S496 WeakPolarHBondContact O-CB 3.25Å; R493-S496 PolarHBondContact O-N 2.97Å; S496-R498 PolarHBondContact O-N 3.39Å; S496-R499 PolarHBondContact O-N 3.32Å; S496-D500 PolarHBondContact O-N 2.68Å; S496-D500 VanDerWaalsContact O-N 3.13Å
497	M	81.3	Confident	83.3	Confident	129 Å²	129	85.2 Å²	85.2	64%	0.635	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-29.5	179.6	-69.5	174.7	71.6	0	0	113.5	R493 L494 I495	R493-M497 VanDerWaalsContact O-CG 3.3Å; R493-M497 WeakPolarHBondContact O-CG 3.47Å; R493-M497 PolarHBondContact O-N 3.29Å; L494-M497 PolarHBondContact O-N 2.82Å; I495-M497 VanDerWaalsContact C-N 3.34Å; I495-M497 PolarHBondContact O-N 2.94Å
498	R	81	Confident	83.2	Confident	224 Å²	224	83.1 Å²	83.1	85%	0.845	39%	0.388	S	S	*	.	H	α-helix	trans	-76.1	-27.3	174.7	-73.6	-179.4	-176.5	-173.2	2.1	113	L494 I495 S496	L494-R498 WeakPolarHBondContact O-CG 3.26Å; L494-R498 PolarHBondContact O-N 2.85Å; L494-R498 VanDerWaalsContact O-N 3.13Å; I495-R498 PolarHBondContact O-N 3.37Å; I495-R498 VanDerWaalsContact O-N 3.17Å; S496-R498 PolarHBondContact O-N 3.39Å
499	R	74.5	Confident	83	Confident	103 Å²	103	80.1 Å²	80.1	39%	0.389	37%	0.373	S	S	.	.	H	α-helix	trans	-87.6	-11.8	179.7	-71.7	179.6	179.3	177.8	-4.6	113.5	N338 I495 S496 Y501	N338-R499 PolarHBondContact OD1-NH1 3.36Å; I495-R499 WeakPolarHBondContact O-CG 3.2Å; I495-R499 PolarHBondContact O-N 3.02Å; I495-R499 VanDerWaalsContact O-N 3.1Å; S496-R499 PolarHBondContact O-N 3.32Å; R499-Y501 WeakPolarHBondContact O-CD2 3.27Å; R499-Y501 VanDerWaalsContact O-CE2 3.26Å; R499-Y501 WeakPolarHBondContact O-CE2 3.45Å; R499-Y501 PolarHBondContact O-N 2.91Å
500	D	67	Low	82.8	Confident	50 Å²	50	84.3 Å²	84.3	27%	0.267	39%	0.39	S	S	.	.			trans	-60.7	105.6	177.8	-77.9	-14.5	0	0	0	110.9	S496 K502	S496-D500 PolarHBondContact O-N 2.68Å; S496-D500 VanDerWaalsContact O-N 3.13Å; D500-K502 PolarHBondContact O-N 3.42Å; D500-K502 VanDerWaalsContact O-N 3.09Å
501	Y	66.1	Low	82.6	Confident	47 Å²	47	83.1 Å²	83.1	18%	0.184	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	97.8	174.8	-66.5	-81.6	0	0	0	108.3	R499 Q503 P524 S526 F527 M596	R499-Y501 WeakPolarHBondContact O-CD2 3.27Å; R499-Y501 VanDerWaalsContact O-CE2 3.26Å; R499-Y501 WeakPolarHBondContact O-CE2 3.45Å; R499-Y501 PolarHBondContact O-N 2.91Å; Y501-Q503 VanDerWaalsContact C-N 3.32Å; Y501-Q503 PolarHBondContact O-N 2.97Å; Y501-P524 HydrophobicContact CD1-CB 3.72Å; Y501-P524 HydrophobicContact CD1-CG 3.7Å; Y501-P524 HydrophobicContact CE1-CB 3.52Å; Y501-P524 HydrophobicContact CE1-CG 3.91Å; Y501-P524 HydrophobicContact CG-CG 4.12Å; Y501-S526 WeakPolarHBondContact CE1-OG 3.09Å; Y501-S526 PolarHBondContact OH-OG 3.29Å; Y501-F527 HydrophobicContact CD2-CD2 4.45Å; Y501-F527 AromaticContact CE2-CD2 3.7Å; Y501-F527 HydrophobicContact CE2-CD2 3.7Å; Y501-F527 HydrophobicContact CE2-CE2 4.42Å; Y501-M596 WeakPolarHBondContact CB-O 3.43Å; Y501-M596 HydrophobicContact CD2-CE 3.98Å; Y501-M596 HydrophobicContact CE2-CE 4.44Å; Y501-M596 HydrophobicContact CG-CE 4.48Å; Y501-M596 PolarHBondContact N-O 3.39Å; Y501-M596 PolarHBondContact O-N 3.43Å
502	K	64.4	Low	81.9	Confident	157 Å²	157	78.8 Å²	78.8	68%	0.683	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	-31	-163.2	-69.4	-173.5	179	179.5	0	114.5	D500 Q595	D500-K502 PolarHBondContact O-N 3.42Å; D500-K502 VanDerWaalsContact O-N 3.09Å; K502-Q595 WeakPolarHBondContact O-CG 3.5Å; K502-Q595 PolarHBondContact O-NE2 2.68Å; K502-Q595 PolarHBondContact O-OE1 2.95Å
503	Q	73	Confident	80.8	Confident	139 Å²	139	81.3 Å²	81.3	65%	0.65	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	116.4	177.2	-64.4	-176.3	-13.9	0	0	109.4	Y501	Y501-Q503 VanDerWaalsContact C-N 3.32Å; Y501-Q503 PolarHBondContact O-N 2.97Å
504	L	78.8	Confident	79.9	Confident	13 Å²	13	77.2 Å²	77.2	7%	0.068	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.6	169.6	-64.6	-176.9	0	0	0	108.9	V506 F521 P524 L594 M596	L504-V506 PolarHBondContact O-N 3.26Å; L504-F521 HydrophobicContact CB-CB 4.37Å; L504-F521 HydrophobicContact CB-CD1 4.03Å; L504-F521 HydrophobicContact CB-CG 4.45Å; L504-F521 HydrophobicContact CD1-CB 4.32Å; L504-F521 HydrophobicContact CD1-CG 4.34Å; L504-P524 HydrophobicContact CD2-CG 3.68Å; L504-L594 PolarHBondContact N-O 2.93Å; L504-M596 HydrophobicContact CD1-CB 3.43Å; L504-M596 VanDerWaalsContact CD1-CB 3.43Å; L504-M596 HydrophobicContact CD1-CE 4.05Å; L504-M596 HydrophobicContact CD1-CG 4.19Å; L504-M596 HydrophobicContact CD1-SD 3.8Å; L504-M596 HydrophobicContact CG-CB 4.21Å
505	E	79.4	Confident	79.4	Confident	140 Å²	140	76.5 Å²	76.5	65%	0.654	37%	0.366	S	S	*	.			trans	-73.3	123.9	171.2	-170.2	178.5	-173.6	0	0	109.6	L507	E505-L507 PolarHBondContact O-N 3.4Å
506	V	86.6	Confident	79.3	Confident	18 Å²	18	73.1 Å²	73.1	11%	0.109	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111.4	172.4	176.5	0	0	0	0	107.7	L504 A509 I519 F521 Y591 L594	L504-V506 PolarHBondContact O-N 3.26Å; V506-A509 HydrophobicContact CG1-CB 4.16Å; V506-I519 HydrophobicContact CB-CG2 4.48Å; V506-I519 HydrophobicContact CG1-CG2 3.7Å; V506-I519 HydrophobicContact CG2-CG2 4.05Å; V506-F521 HydrophobicContact CB-CD1 4.46Å; V506-F521 HydrophobicContact CG2-CD1 3.85Å; V506-F521 HydrophobicContact CG2-CE1 3.53Å; V506-Y591 HydrophobicContact CB-CD2 4.27Å; V506-Y591 HydrophobicContact CB-CG 4.32Å; V506-Y591 HydrophobicContact CG1-CD2 3.9Å; V506-Y591 HydrophobicContact CG1-CG 4Å; V506-L594 HydrophobicContact CG2-CD1 4.31Å; V506-L594 HydrophobicContact CG2-CG 4.43Å
507	L	89.1	Confident	79.7	Confident	90 Å²	90	72.5 Å²	72.5	47%	0.471	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-39.4	177.7	-62.9	176.9	0	0	0	111.3	E505 A520 K522 I562	E505-L507 PolarHBondContact O-N 3.4Å; L507-A520 PolarHBondContact N-O 2.77Å; L507-K522 HydrophobicContact CD1-CB 4.12Å; L507-K522 HydrophobicContact CD2-CB 4.42Å; L507-K522 HydrophobicContact CG-CB 4.38Å; L507-I562 HydrophobicContact CD1-CG2 3.85Å
508	S	91.2	Very high	80.2	Confident	40 Å²	40	68.1 Å²	68.1	28%	0.28	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	141.2	180	-173.8	0	0	0	0	109.9	A520	S508-A520 PolarHBondContact N-O 2.96Å; S508-A520 PolarHBondContact O-N 3.26Å
509	A	92.1	Very high	80.8	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.5	169	0	0	0	0	0	109.4	V506 Y518 I581 Q585 Y591	V506-A509 HydrophobicContact CG1-CB 4.16Å; A509-Y518 CarbonylContact C-O 3.49Å; A509-Y518 WeakPolarHBondContact CA-O 3.5Å; A509-I581 HydrophobicContact CB-CD1 4.14Å; A509-I581 HydrophobicContact CB-CG1 4.28Å; A509-I581 HydrophobicContact CB-CG2 3.7Å; A509-Q585 PolarHBondContact O-NE2 3.28Å; A509-Y591 HydrophobicContact CB-CD1 4.14Å; A509-Y591 HydrophobicContact CB-CE1 3.84Å
510	K	89.2	Confident	81.7	Confident	120 Å²	120	52.7 Å²	52.7	52%	0.522	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.8	177.8	-63	-177.6	179.6	-177.7	0	110.2	L512 Y518	K510-L512 PolarHBondContact O-N 3.28Å; K510-Y518 HydrophobicContact CB-CD1 4.1Å; K510-Y518 HydrophobicContact CD-CD1 4.32Å; K510-Y518 HydrophobicContact CG-CD1 4.13Å; K510-Y518 PolarHBondContact N-O 3.46Å; K510-Y518 PolarHBondContact O-N 3.35Å
511	L	87.7	Confident	82.8	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.277	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.2	172.7	-60.6	176.5	0	0	0	107.8	T517 R578 I581 R582	L511-T517 HydrophobicContact CD2-CG2 4.25Å; L511-R578 HydrophobicContact CD2-CG 3.62Å; L511-I581 HydrophobicContact CD2-CG2 4.05Å; L511-I581 HydrophobicContact CG-CG2 4.37Å; L511-R582 HydrophobicContact CD1-CB 3.74Å; L511-R582 HydrophobicContact CD1-CG 4.01Å
512	L	80.1	Confident	83.9	Confident	38 Å²	38	55 Å²	55	20%	0.199	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	160.9	179.2	-59.3	168.4	0	0	0	110.4	K510 V516 Y566 R578 W663	K510-L512 PolarHBondContact O-N 3.28Å; L512-V516 WeakPolarHBondContact CA-O 3.28Å; L512-V516 HydrophobicContact CB-CB 4.18Å; L512-V516 WeakPolarHBondContact CB-O 3.48Å; L512-V516 HydrophobicContact CD1-CG1 4.11Å; L512-V516 PolarHBondContact N-O 3.18Å; L512-Y566 HydrophobicContact CD1-CD1 3.93Å; L512-Y566 HydrophobicContact CD1-CE1 3.82Å; L512-R578 PolarHBondContact O-NH2 2.99Å; L512-W663 HydrophobicContact CD1-CB 3.81Å; L512-W663 HydrophobicContact CD1-CG 4.18Å
513	P	68.9	Low	85.1	Confident	60 Å²	60	50 Å²	50	39%	0.39	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	158.7	170.1	-26.8	36.9	0	0	0	112.7	D515 K659	P513-D515 VanDerWaalsContact C-N 3.31Å; P513-D515 PolarHBondContact O-N 3.38Å; P513-K659 HydrophobicContact CB-CG 4.42Å
514	S	68.8	Low	85.8	Confident	29 Å²	29	44.6 Å²	44.6	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	38.1	-179.9	-54.2	0	0	0	0	115	V516 K659 S660	S514-V516 PolarHBondContact O-N 2.98Å; S514-V516 VanDerWaalsContact O-N 3.16Å; S514-K659 PolarHBondContact OG-O 3.46Å; S514-S660 VanDerWaalsContact CB-CA 3.49Å; S514-S660 WeakPolarHBondContact OG-CA 3.48Å; S514-S660 PolarHBondContact OG-N 3.15Å
515	D	80.6	Confident	86.1	Confident	68 Å²	68	56.4 Å²	56.4	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	27	174.5	-54.2	-40.1	0	0	0	114.8	P513 A569 W575	P513-D515 VanDerWaalsContact C-N 3.31Å; P513-D515 PolarHBondContact O-N 3.38Å; D515-A569 HydrophobicContact CB-CB 3.8Å; D515-A569 PolarHBondContact O-N 3.48Å; D515-W575 HydrophobicContact CB-CH2 4.12Å; D515-W575 HydrophobicContact CB-CZ2 4.2Å; D515-W575 VanDerWaalsContact OD1-CH2 3.3Å; D515-W575 WeakPolarHBondContact OD1-CH2 3.37Å
516	V	84.2	Confident	86.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.1	173.6	-177.1	0	0	0	0	109.8	L512 S514 Y566 K568 R578	L512-V516 WeakPolarHBondContact CA-O 3.28Å; L512-V516 HydrophobicContact CB-CB 4.18Å; L512-V516 WeakPolarHBondContact CB-O 3.48Å; L512-V516 HydrophobicContact CD1-CG1 4.11Å; L512-V516 PolarHBondContact N-O 3.18Å; S514-V516 PolarHBondContact O-N 2.98Å; S514-V516 VanDerWaalsContact O-N 3.16Å; V516-Y566 HydrophobicContact CG1-CD1 4.02Å; V516-K568 HydrophobicContact CG2-CB 4.48Å; V516-K568 HydrophobicContact CG2-CG 4.32Å; V516-R578 VanDerWaalsContact C-NH1 3.33Å; V516-R578 PolarHBondContact O-NH1 3Å
517	T	90.3	Very high	86.3	Confident	1 Å²	1	53 Å²	53	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.1	176.9	-51.9	0	0	0	0	108	L511 I519 V567 R578 I581	L511-T517 HydrophobicContact CD2-CG2 4.25Å; T517-I519 HydrophobicContact CG2-CD1 4.27Å; T517-I519 HydrophobicContact CG2-CG1 4.03Å; T517-V567 PolarHBondContact N-O 2.69Å; T517-V567 PolarHBondContact O-N 3.33Å; T517-R578 WeakPolarHBondContact OG1-CG 3.15Å; T517-R578 PolarHBondContact OG1-NH1 3.41Å; T517-I581 HydrophobicContact CG2-CD1 3.44Å; T517-I581 VanDerWaalsContact CG2-CD1 3.44Å
518	Y	91.6	Very high	86.2	Confident	36 Å²	36	53.9 Å²	53.9	14%	0.141	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.2	173.3	167.3	-102.3	0	0	0	109.3	A509 K510 A520 K564 Y566	A509-Y518 CarbonylContact C-O 3.49Å; A509-Y518 WeakPolarHBondContact CA-O 3.5Å; K510-Y518 HydrophobicContact CB-CD1 4.1Å; K510-Y518 HydrophobicContact CD-CD1 4.32Å; K510-Y518 HydrophobicContact CG-CD1 4.13Å; K510-Y518 PolarHBondContact N-O 3.46Å; K510-Y518 PolarHBondContact O-N 3.35Å; Y518-A520 HydrophobicContact CE1-CB 4.04Å; Y518-K564 HydrophobicContact CE2-CB 4.15Å; Y518-K564 HydrophobicContact CE2-CG 4.15Å; Y518-Y566 HydrophobicContact CD2-CD1 4.17Å; Y518-Y566 AromaticContact CD2-CE1 3.57Å; Y518-Y566 HydrophobicContact CD2-CE1 3.57Å; Y518-Y566 HydrophobicContact CD2-CE2 4.24Å; Y518-Y566 AromaticContact CD2-CZ 3.62Å; Y518-Y566 HydrophobicContact CE2-CE1 4.41Å; Y518-Y566 HydrophobicContact CG-CE1 4.28Å
519	I	93.6	Very high	86	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	130	175.2	-43.9	179	0	0	0	109.3	V506 T517 F521 I565 L577 I581 L594	V506-I519 HydrophobicContact CB-CG2 4.48Å; V506-I519 HydrophobicContact CG1-CG2 3.7Å; V506-I519 HydrophobicContact CG2-CG2 4.05Å; T517-I519 HydrophobicContact CG2-CD1 4.27Å; T517-I519 HydrophobicContact CG2-CG1 4.03Å; I519-F521 HydrophobicContact CB-CE2 3.96Å; I519-F521 HydrophobicContact CB-CZ 3.75Å; I519-F521 HydrophobicContact CG2-CD1 4.22Å; I519-F521 HydrophobicContact CG2-CD2 4.43Å; I519-F521 HydrophobicContact CG2-CE1 3.48Å; I519-F521 VanDerWaalsContact CG2-CE1 3.48Å; I519-F521 HydrophobicContact CG2-CE2 3.7Å; I519-F521 HydrophobicContact CG2-CZ 3.16Å; I519-I565 HydrophobicContact CB-CD1 4.13Å; I519-I565 HydrophobicContact CB-CG1 3.82Å; I519-I565 HydrophobicContact CD1-CD1 4.24Å; I519-I565 HydrophobicContact CG1-CD1 4.47Å; I519-I565 HydrophobicContact CG1-CG1 4.37Å; I519-I565 PolarHBondContact N-O 3.26Å; I519-I565 PolarHBondContact O-N 3.49Å; I519-L577 HydrophobicContact CD1-CD1 4.46Å; I519-L577 HydrophobicContact CD1-CD2 3.85Å; I519-L577 HydrophobicContact CD1-CG 4.32Å; I519-I581 HydrophobicContact CD1-CD1 3.67Å; I519-I581 HydrophobicContact CG1-CD1 4.07Å; I519-L594 HydrophobicContact CD1-CD1 3.94Å; I519-L594 HydrophobicContact CG2-CD1 4.42Å
520	A	93.6	Very high	85.7	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.8	175.9	0	0	0	0	0	110.5	L507 S508 Y518 L563	L507-A520 PolarHBondContact N-O 2.77Å; S508-A520 PolarHBondContact N-O 2.96Å; S508-A520 PolarHBondContact O-N 3.26Å; Y518-A520 HydrophobicContact CE1-CB 4.04Å; A520-L563 WeakPolarHBondContact CA-O 3.45Å
521	F	89.8	Confident	85.7	Confident	4 Å²	4	53 Å²	53	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.2	178.5	-43.3	-92.3	0	0	0	110.9	L504 V506 I519 I562 L563 I565 L594	L504-F521 HydrophobicContact CB-CB 4.37Å; L504-F521 HydrophobicContact CB-CD1 4.03Å; L504-F521 HydrophobicContact CB-CG 4.45Å; L504-F521 HydrophobicContact CD1-CB 4.32Å; L504-F521 HydrophobicContact CD1-CG 4.34Å; V506-F521 HydrophobicContact CB-CD1 4.46Å; V506-F521 HydrophobicContact CG2-CD1 3.85Å; V506-F521 HydrophobicContact CG2-CE1 3.53Å; I519-F521 HydrophobicContact CB-CE2 3.96Å; I519-F521 HydrophobicContact CB-CZ 3.75Å; I519-F521 HydrophobicContact CG2-CD1 4.22Å; I519-F521 HydrophobicContact CG2-CD2 4.43Å; I519-F521 HydrophobicContact CG2-CE1 3.48Å; I519-F521 VanDerWaalsContact CG2-CE1 3.48Å; I519-F521 HydrophobicContact CG2-CE2 3.7Å; I519-F521 HydrophobicContact CG2-CZ 3.16Å; F521-I562 WeakPolarHBondContact O-CA 3.4Å; F521-L563 PolarHBondContact N-O 2.98Å; F521-L563 PolarHBondContact O-N 3Å; F521-I565 HydrophobicContact CE2-CD1 3.57Å; F521-I565 HydrophobicContact CE2-CG1 3.81Å; F521-I565 HydrophobicContact CE2-CG2 4.47Å; F521-I565 HydrophobicContact CZ-CD1 3.8Å; F521-I565 HydrophobicContact CZ-CG1 4.39Å; F521-L594 HydrophobicContact CE1-CB 3.91Å; F521-L594 HydrophobicContact CE1-CD1 3.44Å; F521-L594 VanDerWaalsContact CE1-CD1 3.44Å; F521-L594 HydrophobicContact CE1-CG 4.15Å; F521-L594 HydrophobicContact CZ-CB 4.48Å; F521-L594 HydrophobicContact CZ-CD1 3.45Å; F521-L594 VanDerWaalsContact CZ-CD1 3.45Å
522	K	89.1	Confident	85.4	Confident	140 Å²	140	50.5 Å²	50.5	61%	0.609	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.3	168.7	-171.2	174.2	-176.1	173.2	0	110.2	L507 P524	L507-K522 HydrophobicContact CD1-CB 4.12Å; L507-K522 HydrophobicContact CD2-CB 4.42Å; L507-K522 HydrophobicContact CG-CB 4.38Å; K522-P524 WeakPolarHBondContact O-CD 3.17Å
523	R	89.6	Confident	85.7	Confident	54 Å²	54	49.2 Å²	49.2	20%	0.204	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.5	128.2	176.1	-176.4	177.7	173.6	175.4	0.2	111.1	F527 P558 E560 P561 L563	R523-F527 HydrophobicContact CG-CB 4.4Å; R523-F527 HydrophobicContact CG-CD1 4.37Å; R523-F527 PolarHBondContact NE-O 2.93Å; R523-F527 PolarHBondContact NH2-O 2.56Å; R523-P558 PolarHBondContact NH1-O 2.82Å; R523-P558 PolarHBondContact NH2-O 3.37Å; R523-E560 WeakPolarHBondContact CD-O 3.29Å; R523-E560 PolarHBondContact NH1-O 2.77Å; R523-P561 WeakPolarHBondContact CB-O 3.34Å; R523-P561 PolarHBondContact N-O 3.22Å; R523-P561 VanDerWaalsContact N-O 3.15Å; R523-L563 HydrophobicContact CB-CD2 4.46Å; R523-L563 HydrophobicContact CB-CG 4.06Å; R523-L563 HydrophobicContact CG-CD1 4.43Å; R523-L563 HydrophobicContact CG-CD2 4.23Å; R523-L563 HydrophobicContact CG-CG 4.21Å
524	P	87.5	Confident	86.6	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.156	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-63.5	140.4	170.2	-20.2	31.9	0	0	0	111.2	Y501 L504 K522 S526 F527 M596	Y501-P524 HydrophobicContact CD1-CB 3.72Å; Y501-P524 HydrophobicContact CD1-CG 3.7Å; Y501-P524 HydrophobicContact CE1-CB 3.52Å; Y501-P524 HydrophobicContact CE1-CG 3.91Å; Y501-P524 HydrophobicContact CG-CG 4.12Å; L504-P524 HydrophobicContact CD2-CG 3.68Å; K522-P524 WeakPolarHBondContact O-CD 3.17Å; P524-S526 PolarHBondContact O-N 3.47Å; P524-S526 VanDerWaalsContact O-N 3.16Å; P524-F527 HydrophobicContact CB-CB 3.99Å; P524-F527 HydrophobicContact CG-CB 4.15Å; P524-F527 WeakPolarHBondContact O-CB 3.34Å; P524-F527 PolarHBondContact O-N 2.86Å; P524-M596 HydrophobicContact CG-CE 4.35Å
525	R	84.9	Confident	87.6	Confident	261 Å²	261	47.4 Å²	47.4	99%	0.985	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31	-177.9	-69	-176.8	177.9	171.3	-0.8	113.8	F527	R525-F527 VanDerWaalsContact C-N 3.34Å
526	S	84.5	Confident	88.1	Confident	87 Å²	87	45.2 Å²	45.2	61%	0.608	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.3	178.1	58.8	0	0	0	0	114.1	Y501 P524 T528	Y501-S526 WeakPolarHBondContact CE1-OG 3.09Å; Y501-S526 PolarHBondContact OH-OG 3.29Å; P524-S526 PolarHBondContact O-N 3.47Å; P524-S526 VanDerWaalsContact O-N 3.16Å; S526-T528 PolarHBondContact O-N 2.69Å
527	F	87	Confident	88.3	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	21%	0.206	C	C	.	.			trans	-87.7	107.6	-174	-171	-100.7	0	0	0	111.1	Y501 R523 P524 R525 F529 V535 L554 L563 M596 P599	Y501-F527 HydrophobicContact CD2-CD2 4.45Å; Y501-F527 AromaticContact CE2-CD2 3.7Å; Y501-F527 HydrophobicContact CE2-CD2 3.7Å; Y501-F527 HydrophobicContact CE2-CE2 4.42Å; R523-F527 HydrophobicContact CG-CB 4.4Å; R523-F527 HydrophobicContact CG-CD1 4.37Å; R523-F527 PolarHBondContact NE-O 2.93Å; R523-F527 PolarHBondContact NH2-O 2.56Å; P524-F527 HydrophobicContact CB-CB 3.99Å; P524-F527 HydrophobicContact CG-CB 4.15Å; P524-F527 WeakPolarHBondContact O-CB 3.34Å; P524-F527 PolarHBondContact O-N 2.86Å; R525-F527 VanDerWaalsContact C-N 3.34Å; F527-F529 AromaticContact CD1-CD1 3.84Å; F527-F529 HydrophobicContact CD1-CD1 3.84Å; F527-F529 HydrophobicContact CE1-CB 3.84Å; F527-F529 AromaticContact CE1-CD1 3.49Å; F527-F529 HydrophobicContact CE1-CD1 3.49Å; F527-F529 VanDerWaalsContact CE1-CD1 3.49Å; F527-F529 HydrophobicContact CE1-CE1 4.28Å; F527-F529 AromaticContact CE1-CG 3.84Å; F527-F529 HydrophobicContact CE1-CG 3.84Å; F527-F529 HydrophobicContact CZ-CB 4.15Å; F527-V535 HydrophobicContact CE2-CG1 4.26Å; F527-V535 HydrophobicContact CZ-CG1 3.67Å; F527-L554 HydrophobicContact CE1-CD1 3.86Å; F527-L554 HydrophobicContact CZ-CD1 3.99Å; F527-L563 HydrophobicContact CD1-CD1 3.79Å; F527-L563 HydrophobicContact CD1-CD2 4.19Å; F527-L563 HydrophobicContact CE1-CD1 3.76Å; F527-L563 HydrophobicContact CE1-CD2 4.03Å; F527-M596 HydrophobicContact CD1-CE 4.35Å; F527-M596 HydrophobicContact CD2-CE 3.6Å; F527-M596 HydrophobicContact CE1-CE 4.27Å; F527-M596 HydrophobicContact CE2-CE 3.49Å; F527-M596 VanDerWaalsContact CE2-CE 3.49Å; F527-M596 HydrophobicContact CE2-SD 4.39Å; F527-M596 HydrophobicContact CG-CE 4.04Å; F527-M596 HydrophobicContact CZ-CE 3.85Å; F527-M596 HydrophobicContact CZ-SD 4.31Å; F527-P599 HydrophobicContact CE2-CB 4.33Å; F527-P599 HydrophobicContact CE2-CG 4.4Å; F527-P599 HydrophobicContact CZ-CB 4.05Å; F527-P599 HydrophobicContact CZ-CG 4.44Å
528	T	86.7	Confident	88.2	Confident	108 Å²	108	47.9 Å²	47.9	66%	0.663	22%	0.216	S	C	*	.			trans	-112.4	134.3	171.9	55.4	0	0	0	0	109.1	S526 P599	S526-T528 PolarHBondContact O-N 2.69Å; T528-P599 WeakPolarHBondContact O-CG 3.32Å
529	F	87.2	Confident	88	Confident	14 Å²	14	46.1 Å²	46.1	6%	0.061	21%	0.209	C	C	.	.			trans	-145.5	164.5	-178.9	75.2	-78.7	0	0	0	110	F527 L554 S556 T557 P558 L563 P599	F527-F529 AromaticContact CD1-CD1 3.84Å; F527-F529 HydrophobicContact CD1-CD1 3.84Å; F527-F529 HydrophobicContact CE1-CB 3.84Å; F527-F529 AromaticContact CE1-CD1 3.49Å; F527-F529 HydrophobicContact CE1-CD1 3.49Å; F527-F529 VanDerWaalsContact CE1-CD1 3.49Å; F527-F529 HydrophobicContact CE1-CE1 4.28Å; F527-F529 AromaticContact CE1-CG 3.84Å; F527-F529 HydrophobicContact CE1-CG 3.84Å; F527-F529 HydrophobicContact CZ-CB 4.15Å; F529-L554 HydrophobicContact CB-CD1 4.28Å; F529-L554 HydrophobicContact CD1-CD1 4.22Å; F529-L554 HydrophobicContact CD2-CB 4.41Å; F529-L554 HydrophobicContact CD2-CD1 3.45Å; F529-L554 VanDerWaalsContact CD2-CD1 3.45Å; F529-L554 HydrophobicContact CE1-CD1 4.45Å; F529-L554 HydrophobicContact CE2-CB 4.06Å; F529-L554 HydrophobicContact CE2-CD1 3.74Å; F529-L554 HydrophobicContact CG-CD1 3.72Å; F529-L554 HydrophobicContact CZ-CD1 4.23Å; F529-S556 WeakPolarHBondContact CE2-O 3.49Å; F529-S556 WeakPolarHBondContact CZ-O 3.27Å; F529-T557 WeakPolarHBondContact CZ-O 3.35Å; F529-P558 HydrophobicContact CE2-CG 4.47Å; F529-P558 WeakPolarHBondContact O-CB 3.48Å; F529-L563 HydrophobicContact CD1-CD2 4.18Å; F529-L563 HydrophobicContact CE1-CD2 3.51Å; F529-L563 HydrophobicContact CZ-CD2 3.96Å; F529-P599 HydrophobicContact CB-CB 3.92Å; F529-P599 HydrophobicContact CB-CG 4.04Å
530	R	85.4	Confident	87.4	Confident	130 Å²	130	47.3 Å²	47.3	49%	0.491	22%	0.217	S	C	.	.			trans	-109.9	154.1	173.9	-61.6	-174.1	-176.8	170.2	4.6	110.3	G532 Q533	R530-G532 PolarHBondContact O-N 3.39Å; R530-Q533 HydrophobicContact CB-CG 4.29Å; R530-Q533 VanDerWaalsContact O-CB 3.27Å; R530-Q533 WeakPolarHBondContact O-CB 3.36Å; R530-Q533 VanDerWaalsContact O-CG 3.28Å; R530-Q533 WeakPolarHBondContact O-CG 3.44Å; R530-Q533 PolarHBondContact O-N 3.44Å; R530-Q533 VanDerWaalsContact O-N 3.1Å
531	S	87.7	Confident	86.6	Confident	1 Å²	1	52 Å²	52	1%	0.007	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.2	178.5	-48.9	0	0	0	0	112.2	Q533 P558 Q605 D631	S531-Q533 VanDerWaalsContact C-N 3.3Å; S531-Q533 PolarHBondContact O-N 2.97Å; S531-P558 WeakPolarHBondContact OG-CD 3.21Å; S531-P558 WeakPolarHBondContact OG-CG 3.01Å; S531-Q605 PolarHBondContact O-NE2 3.4Å; S531-D631 WeakPolarHBondContact CB-OD2 3.4Å; S531-D631 WeakPolarHBondContact OG-CB 3.38Å; S531-D631 PolarHBondContact OG-OD2 3.23Å
532	G	83.3	Confident	85.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-0.8	-176.3	0	0	0	0	0	114.8	R530 S627 F799	R530-G532 PolarHBondContact O-N 3.39Å; G532-S627 PolarHBondContact N-OG 3.04Å; G532-F799 WeakPolarHBondContact O-CD1 3.49Å
533	Q	86.4	Confident	84.7	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.051	22%	0.224	C	C	.	.			trans	-69.5	154.6	169.7	-71.2	-170.4	-44.1	0	0	111.9	R530 S531 L554 P599 Y600 G601 A602	R530-Q533 HydrophobicContact CB-CG 4.29Å; R530-Q533 VanDerWaalsContact O-CB 3.27Å; R530-Q533 WeakPolarHBondContact O-CB 3.36Å; R530-Q533 VanDerWaalsContact O-CG 3.28Å; R530-Q533 WeakPolarHBondContact O-CG 3.44Å; R530-Q533 PolarHBondContact O-N 3.44Å; R530-Q533 VanDerWaalsContact O-N 3.1Å; S531-Q533 VanDerWaalsContact C-N 3.3Å; S531-Q533 PolarHBondContact O-N 2.97Å; Q533-L554 PolarHBondContact O-N 3.25Å; Q533-P599 HydrophobicContact CB-CB 4.15Å; Q533-Y600 WeakPolarHBondContact CA-O 3.25Å; Q533-Y600 WeakPolarHBondContact CB-O 3.41Å; Q533-G601 PolarHBondContact NE2-O 2.62Å; Q533-A602 HydrophobicContact CG-CB 3.67Å
534	W	87.8	Confident	83	Confident	50 Å²	50	50.4 Å²	50.4	19%	0.189	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	158.8	177.4	58	-91.7	0	0	0	111	R536 A551 F552 Y600 F799	W534-R536 HydrophobicContact CE3-CG 4.22Å; W534-R536 HydrophobicContact CZ3-CG 3.59Å; W534-A551 HydrophobicContact CD2-CB 4.24Å; W534-A551 HydrophobicContact CE3-CB 3.41Å; W534-A551 VanDerWaalsContact CE3-CB 3.41Å; W534-A551 HydrophobicContact CH2-CB 4.4Å; W534-A551 HydrophobicContact CZ3-CB 3.48Å; W534-A551 VanDerWaalsContact CZ3-CB 3.48Å; W534-F552 CarbonylContact C-O 3.59Å; W534-F552 VanDerWaalsContact CA-O 3.29Å; W534-F552 WeakPolarHBondContact CA-O 3.47Å; W534-F552 WeakPolarHBondContact CB-O 3.14Å; W534-Y600 HydrophobicContact CE3-CD2 4.3Å; W534-Y600 HydrophobicContact CH2-CD2 4.32Å; W534-Y600 HydrophobicContact CH2-CG 4.19Å; W534-Y600 HydrophobicContact CZ2-CG 4.39Å; W534-Y600 HydrophobicContact CZ3-CD2 4.02Å; W534-Y600 HydrophobicContact CZ3-CG 4.3Å; W534-Y600 PolarHBondContact N-O 2.89Å; W534-Y600 PolarHBondContact O-N 3.33Å; W534-F799 VanDerWaalsContact CD1-OXT 3.3Å
535	V	89.8	Confident	81.4	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.4	178.5	-66.2	0	0	0	0	109	F527 I537 A551 F552 L554 M596	F527-V535 HydrophobicContact CE2-CG1 4.26Å; F527-V535 HydrophobicContact CZ-CG1 3.67Å; V535-I537 HydrophobicContact CG2-CD1 4.16Å; V535-I537 HydrophobicContact CG2-CG1 4.08Å; V535-A551 CarbonylContact O-C 3.54Å; V535-A551 WeakPolarHBondContact O-CA 3.41Å; V535-F552 PolarHBondContact N-O 3.29Å; V535-F552 PolarHBondContact O-N 3.44Å; V535-L554 HydrophobicContact CG1-CD1 3.85Å; V535-L554 HydrophobicContact CG1-CD2 4.16Å; V535-L554 HydrophobicContact CG1-CG 4.05Å; V535-L554 HydrophobicContact CG2-CD2 3.84Å; V535-L554 HydrophobicContact CG2-CG 4.28Å; V535-M596 HydrophobicContact CB-CG 3.72Å; V535-M596 HydrophobicContact CB-SD 4Å; V535-M596 HydrophobicContact CG1-CG 4.06Å; V535-M596 HydrophobicContact CG1-SD 3.81Å; V535-M596 HydrophobicContact CG2-CG 4.01Å; V535-M596 HydrophobicContact CG2-SD 4.01Å
536	R	89.6	Confident	80	Confident	23 Å²	23	51.2 Å²	51.2	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.3	168.3	-68.9	-167.9	-122.3	117.9	17	109.8	R337 W534 W549 H550 M596 D597 Y600	R337-R536 VanDerWaalsContact NH1-NH1 3.13Å; R337-R536 VanDerWaalsContact NH1-NH2 3.2Å; W534-R536 HydrophobicContact CE3-CG 4.22Å; W534-R536 HydrophobicContact CZ3-CG 3.59Å; R536-W549 HydrophobicContact CB-CB 4.22Å; R536-W549 HydrophobicContact CB-CD2 4.42Å; R536-W549 HydrophobicContact CB-CE3 3.78Å; R536-H550 CarbonylContact C-O 3.59Å; R536-H550 VanDerWaalsContact CA-O 3.25Å; R536-H550 WeakPolarHBondContact CA-O 3.42Å; R536-M596 CarbonylContact O-C 3.03Å; R536-M596 VanDerWaalsContact O-CA 3.29Å; R536-M596 WeakPolarHBondContact O-CA 3.23Å; R536-D597 HydrophobicContact CB-CB 4.25Å; R536-D597 IonicContact CZ-OD2 3.29Å; R536-D597 VanDerWaalsContact CZ-OD2 3.29Å; R536-D597 PolarHBondContact N-O 3.29Å; R536-D597 IonicContact NH1-OD2 2.82Å; R536-D597 PolarHBondContact NH1-OD2 2.9Å; R536-D597 IonicContact NH2-OD2 3.6Å; R536-D597 PolarHBondContact O-N 3.19Å; R536-Y600 HydrophobicContact CG-CD2 4.49Å; R536-Y600 HydrophobicContact CG-CE2 4.49Å; R536-Y600 PolarHBondContact NH2-OH 3.42Å
537	I	90	Very high	79.2	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138	179.8	-59.3	-179.8	0	0	0	108.9	V535 H550 F552 I565 W573 L594 Q595	V535-I537 HydrophobicContact CG2-CD1 4.16Å; V535-I537 HydrophobicContact CG2-CG1 4.08Å; I537-H550 PolarHBondContact N-O 3.18Å; I537-H550 PolarHBondContact O-N 3.34Å; I537-F552 HydrophobicContact CB-CD2 4Å; I537-F552 HydrophobicContact CB-CE2 4.26Å; I537-F552 HydrophobicContact CD1-CD2 3.94Å; I537-F552 HydrophobicContact CG1-CD2 4.12Å; I537-I565 HydrophobicContact CD1-CD1 3.24Å; I537-I565 HydrophobicContact CD1-CG2 4.26Å; I537-W573 HydrophobicContact CG2-CH2 4.36Å; I537-L594 HydrophobicContact CG2-CB 4.15Å; I537-L594 HydrophobicContact CG2-CD1 4.16Å; I537-L594 HydrophobicContact CG2-CD2 4.13Å; I537-L594 HydrophobicContact CG2-CG 4.37Å; I537-Q595 VanDerWaalsContact CA-O 3.27Å; I537-Q595 WeakPolarHBondContact CA-O 3.49Å
538	R	87.7	Confident	78.8	Confident	53 Å²	53	52.9 Å²	52.9	20%	0.2	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151	167.8	68.2	172	-170.3	127.3	-6	110.3	N547 E548 W549 L594 Q595	R538-N547 WeakPolarHBondContact CD-OD1 3.22Å; R538-N547 PolarHBondContact NH1-OD1 2.95Å; R538-E548 WeakPolarHBondContact CB-O 3.47Å; R538-W549 HydrophobicContact CB-CD2 3.98Å; R538-W549 HydrophobicContact CB-CE3 3.83Å; R538-W549 HydrophobicContact CB-CZ3 4.13Å; R538-W549 VanDerWaalsContact CD-CZ2 3.44Å; R538-W549 HydrophobicContact CG-CD2 4.16Å; R538-W549 HydrophobicContact CG-CE3 3.91Å; R538-W549 HydrophobicContact CG-CH2 3.74Å; R538-W549 HydrophobicContact CG-CZ2 3.95Å; R538-W549 HydrophobicContact CG-CZ3 3.7Å; R538-L594 WeakPolarHBondContact O-CA 3.47Å; R538-Q595 HydrophobicContact CG-CB 3.73Å; R538-Q595 HydrophobicContact CG-CG 4Å; R538-Q595 PolarHBondContact N-O 3.48Å; R538-Q595 PolarHBondContact O-N 3.32Å
539	C	87.3	Confident	78.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.3	175	-177.6	0	0	0	0	110.3	N541 F542 S543 W573 P592 L594	C539-N541 VanDerWaalsContact C-N 3.29Å; C539-N541 PolarHBondContact O-N 3.18Å; C539-F542 HydrophobicContact CB-CD1 4.22Å; C539-F542 HydrophobicContact CB-CE1 3.59Å; C539-F542 HydrophobicContact CB-CE2 3.93Å; C539-F542 HydrophobicContact CB-CZ 3.41Å; C539-F542 VanDerWaalsContact CB-CZ 3.41Å; C539-F542 WeakPolarHBondContact SG-CE1 3.48Å; C539-S543 WeakPolarHBondContact O-CA 3.35Å; C539-S543 WeakPolarHBondContact O-CB 2.96Å; C539-S543 PolarHBondContact O-N 3.07Å; C539-S543 PolarHBondContact O-OG 2.8Å; C539-W573 HydrophobicContact CB-CZ2 4.29Å; C539-P592 VanDerWaalsContact SG-CB 3.58Å; C539-L594 HydrophobicContact CB-CD2 3.48Å; C539-L594 VanDerWaalsContact CB-CD2 3.48Å
540	S	79.8	Confident	78.6	Confident	25 Å²	25	52.4 Å²	52.4	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-33.3	-177.3	57.9	0	0	0	0	112.8	F542 C544 L593	S540-F542 VanDerWaalsContact C-N 3.31Å; S540-F542 PolarHBondContact O-N 3.49Å; S540-C544 PolarHBondContact O-SG 3.29Å; S540-L593 PolarHBondContact N-O 3.11Å; S540-L593 WeakPolarHBondContact OG-CB 3.48Å; S540-L593 PolarHBondContact OG-O 3.35Å
541	N	78	Confident	78.7	Confident	103 Å²	103	49 Å²	49	55%	0.551	25%	0.248	S	C	*	.	H	α-helix	trans	-59.3	-33.9	-175.9	-63.2	54.8	0	0	0	114.6	C539 L593	C539-N541 VanDerWaalsContact C-N 3.29Å; C539-N541 PolarHBondContact O-N 3.18Å; N541-L593 PolarHBondContact OD1-N 2.96Å; N541-L593 VanDerWaalsContact OD1-N 3.08Å
542	F	75.6	Confident	78.8	Confident	55 Å²	55	50.2 Å²	50.2	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-130.8	-12.1	-177.7	55.9	-98.5	0	0	0	114.6	C539 S540 C544 W573 K576 L577	C539-F542 HydrophobicContact CB-CD1 4.22Å; C539-F542 HydrophobicContact CB-CE1 3.59Å; C539-F542 HydrophobicContact CB-CE2 3.93Å; C539-F542 HydrophobicContact CB-CZ 3.41Å; C539-F542 VanDerWaalsContact CB-CZ 3.41Å; C539-F542 WeakPolarHBondContact SG-CE1 3.48Å; S540-F542 VanDerWaalsContact C-N 3.31Å; S540-F542 PolarHBondContact O-N 3.49Å; F542-C544 VanDerWaalsContact C-N 3.3Å; F542-W573 AromaticContact CE2-CD1 3.67Å; F542-W573 HydrophobicContact CE2-CD2 4.2Å; F542-W573 AromaticContact CE2-CE2 3.9Å; F542-W573 HydrophobicContact CE2-CG 4.04Å; F542-W573 AromaticContact CE2-NE1 3.54Å; F542-K576 HydrophobicContact CD1-CB 4.35Å; F542-K576 HydrophobicContact CD2-CB 4.04Å; F542-K576 HydrophobicContact CD2-CD 4.11Å; F542-K576 HydrophobicContact CE1-CB 4.28Å; F542-K576 HydrophobicContact CE2-CB 3.95Å; F542-K576 HydrophobicContact CG-CB 4.24Å; F542-K576 HydrophobicContact CG-CD 4.42Å; F542-K576 HydrophobicContact CZ-CB 4.09Å; F542-L577 HydrophobicContact CE1-CB 4.47Å; F542-L577 HydrophobicContact CE1-CD1 4.47Å; F542-L577 HydrophobicContact CZ-CB 3.92Å; F542-L577 HydrophobicContact CZ-CD1 4.35Å
543	S	63.5	Low	79.2	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-84.9	1.8	173.3	-56.3	0	0	0	0	113.3	C539 K545 M546 N547 W573	C539-S543 WeakPolarHBondContact O-CA 3.35Å; C539-S543 WeakPolarHBondContact O-CB 2.96Å; C539-S543 PolarHBondContact O-N 3.07Å; C539-S543 PolarHBondContact O-OG 2.8Å; S543-K545 PolarHBondContact O-N 2.73Å; S543-K545 VanDerWaalsContact O-N 3.08Å; S543-M546 PolarHBondContact O-N 3.45Å; S543-M546 VanDerWaalsContact O-N 3.12Å; S543-N547 WeakPolarHBondContact O-CA 3.44Å; S543-N547 PolarHBondContact O-N 3.03Å; S543-W573 PolarHBondContact OG-NE1 3.45Å; S543-W573 VanDerWaalsContact OG-NE1 3.08Å
544	C	53.2	Low	79.4	Confident	106 Å²	106	50.6 Å²	50.6	72%	0.716	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.4	178.5	-84.7	0	0	0	0	114.6	S540 F542 M546	S540-C544 PolarHBondContact O-SG 3.29Å; F542-C544 VanDerWaalsContact C-N 3.3Å; C544-M546 PolarHBondContact O-N 3.29Å
545	K	53.4	Low	79.5	Confident	204 Å²	204	48.4 Å²	48.4	89%	0.887	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.5	-177.5	-76.3	-172.3	176	-176.8	0	113.9	S543	S543-K545 PolarHBondContact O-N 2.73Å; S543-K545 VanDerWaalsContact O-N 3.08Å
546	M	56.5	Low	79.6	Confident	98 Å²	98	48.4 Å²	48.4	48%	0.483	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	-1.1	-169.1	-70.9	-162.2	153.9	0	0	115.8	H448 S543 C544 E548	H448-M546 HydrophobicContact CB-SD 4.27Å; S543-M546 PolarHBondContact O-N 3.45Å; S543-M546 VanDerWaalsContact O-N 3.12Å; C544-M546 PolarHBondContact O-N 3.29Å; M546-E548 VanDerWaalsContact C-N 3.33Å; M546-E548 HydrophobicContact CB-CG 3.98Å; M546-E548 PolarHBondContact O-N 2.99Å
547	N	67.4	Low	79.6	Confident	79 Å²	79	47.3 Å²	47.3	42%	0.422	25%	0.245	S	C	.	.			trans	52.2	48	179.4	-154.9	26.5	0	0	0	113.3	R538 S543 W549	R538-N547 WeakPolarHBondContact CD-OD1 3.22Å; R538-N547 PolarHBondContact NH1-OD1 2.95Å; S543-N547 WeakPolarHBondContact O-CA 3.44Å; S543-N547 PolarHBondContact O-N 3.03Å; N547-W549 VanDerWaalsContact O-CD1 3.23Å
548	E	77.7	Confident	79.5	Confident	44 Å²	44	48.7 Å²	48.7	21%	0.206	25%	0.254	C	S	.	.			trans	-74.4	129.1	-175.9	-69.6	169.1	-165.7	0	0	112.3	H448 R538 M546	H448-E548 IonicContact CE1-OE1 3.82Å; H448-E548 PolarHBondContact CE1-OE1 3.37Å; H448-E548 IonicContact CE1-OE2 3.57Å; H448-E548 IonicContact ND1-OE1 3.34Å; H448-E548 PolarHBondContact ND1-OE1 2.88Å; R538-E548 WeakPolarHBondContact CB-O 3.47Å; M546-E548 VanDerWaalsContact C-N 3.33Å; M546-E548 HydrophobicContact CB-CG 3.98Å; M546-E548 PolarHBondContact O-N 2.99Å
549	W	84	Confident	79.4	Confident	60 Å²	60	50.7 Å²	50.7	23%	0.227	27%	0.269	C	S	.	.			trans	-113.1	128	178.9	-71.4	96	0	0	0	110.4	R536 R538 N547 Q595 D597	R536-W549 HydrophobicContact CB-CB 4.22Å; R536-W549 HydrophobicContact CB-CD2 4.42Å; R536-W549 HydrophobicContact CB-CE3 3.78Å; R538-W549 HydrophobicContact CB-CD2 3.98Å; R538-W549 HydrophobicContact CB-CE3 3.83Å; R538-W549 HydrophobicContact CB-CZ3 4.13Å; R538-W549 VanDerWaalsContact CD-CZ2 3.44Å; R538-W549 HydrophobicContact CG-CD2 4.16Å; R538-W549 HydrophobicContact CG-CE3 3.91Å; R538-W549 HydrophobicContact CG-CH2 3.74Å; R538-W549 HydrophobicContact CG-CZ2 3.95Å; R538-W549 HydrophobicContact CG-CZ3 3.7Å; N547-W549 VanDerWaalsContact O-CD1 3.23Å; W549-Q595 HydrophobicContact CH2-CB 4.33Å; W549-D597 HydrophobicContact CE3-CB 4.13Å; W549-D597 HydrophobicContact CH2-CB 3.81Å; W549-D597 HydrophobicContact CZ2-CB 4.47Å; W549-D597 HydrophobicContact CZ3-CB 3.62Å
550	H	86.7	Confident	79.5	Confident	53 Å²	53	52 Å²	52	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.3	178.9	-70.2	-90.8	0	0	0	111.4	R536 I537 F552 W573	R536-H550 CarbonylContact C-O 3.59Å; R536-H550 VanDerWaalsContact CA-O 3.25Å; R536-H550 WeakPolarHBondContact CA-O 3.42Å; I537-H550 PolarHBondContact N-O 3.18Å; I537-H550 PolarHBondContact O-N 3.34Å; H550-F552 HydrophobicContact CB-CD2 4.41Å; H550-F552 HydrophobicContact CB-CE2 3.51Å; H550-F552 HydrophobicContact CB-CZ 3.71Å; H550-F552 WeakPolarHBondContact O-CD2 3.34Å; H550-W573 HydrophobicContact CB-CE3 4.27Å; H550-W573 HydrophobicContact CB-CH2 4.36Å; H550-W573 HydrophobicContact CB-CZ3 4.22Å; H550-W573 AromaticContact CD2-CD1 3.45Å; H550-W573 VanDerWaalsContact CD2-CD1 3.45Å; H550-W573 AromaticContact CD2-CD2 3.25Å; H550-W573 AromaticContact CD2-CE2 3.35Å; H550-W573 AromaticContact CD2-CE3 3.81Å; H550-W573 AromaticContact CD2-CG 3.37Å; H550-W573 AromaticContact CD2-NE1 3.45Å; H550-W573 PolarHBondContact CD2-NE1 3.43Å; H550-W573 AromaticContact CE1-CG 3.92Å; H550-W573 AromaticContact CG-CD2 3.84Å; H550-W573 AromaticContact CG-CE3 3.91Å; H550-W573 WeakPolarHBondContact NE2-CB 3.14Å; H550-W573 AromaticContact NE2-CD1 3.26Å; H550-W573 VanDerWaalsContact NE2-CD1 3.26Å; H550-W573 AromaticContact NE2-CD2 3.61Å; H550-W573 AromaticContact NE2-CG 3.16Å; H550-W573 AromaticContact NE2-NE1 3.78Å
551	A	87.8	Confident	80	Confident	59 Å²	59	55.5 Å²	55.5	49%	0.488	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.5	179.1	0	0	0	0	0	111.3	W534 V535	W534-A551 HydrophobicContact CD2-CB 4.24Å; W534-A551 HydrophobicContact CE3-CB 3.41Å; W534-A551 VanDerWaalsContact CE3-CB 3.41Å; W534-A551 HydrophobicContact CH2-CB 4.4Å; W534-A551 HydrophobicContact CZ3-CB 3.48Å; W534-A551 VanDerWaalsContact CZ3-CB 3.48Å; V535-A551 CarbonylContact O-C 3.54Å; V535-A551 WeakPolarHBondContact O-CA 3.41Å
552	F	90.3	Very high	80.7	Confident	25 Å²	25	53.1 Å²	53.1	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.7	173.8	-61.1	-69.4	0	0	0	110.6	W534 V535 I537 H550 V567 W573 T574	W534-F552 CarbonylContact C-O 3.59Å; W534-F552 VanDerWaalsContact CA-O 3.29Å; W534-F552 WeakPolarHBondContact CA-O 3.47Å; W534-F552 WeakPolarHBondContact CB-O 3.14Å; V535-F552 PolarHBondContact N-O 3.29Å; V535-F552 PolarHBondContact O-N 3.44Å; I537-F552 HydrophobicContact CB-CD2 4Å; I537-F552 HydrophobicContact CB-CE2 4.26Å; I537-F552 HydrophobicContact CD1-CD2 3.94Å; I537-F552 HydrophobicContact CG1-CD2 4.12Å; H550-F552 HydrophobicContact CB-CD2 4.41Å; H550-F552 HydrophobicContact CB-CE2 3.51Å; H550-F552 HydrophobicContact CB-CZ 3.71Å; H550-F552 WeakPolarHBondContact O-CD2 3.34Å; F552-V567 HydrophobicContact CD1-CB 4.48Å; F552-V567 HydrophobicContact CD1-CG1 4.38Å; F552-V567 HydrophobicContact CD1-CG2 3.84Å; F552-V567 HydrophobicContact CD2-CG2 4.41Å; F552-V567 HydrophobicContact CE1-CB 4.17Å; F552-V567 HydrophobicContact CE1-CG1 3.6Å; F552-V567 HydrophobicContact CE1-CG2 3.84Å; F552-V567 HydrophobicContact CE2-CG2 4.37Å; F552-V567 HydrophobicContact CG-CG2 4.14Å; F552-V567 HydrophobicContact CZ-CG1 3.81Å; F552-V567 HydrophobicContact CZ-CG2 4.11Å; F552-W573 AromaticContact CE2-CH2 3.7Å; F552-W573 HydrophobicContact CE2-CH2 3.7Å; F552-W573 AromaticContact CE2-CZ3 3.51Å; F552-W573 HydrophobicContact CE2-CZ3 3.51Å; F552-W573 HydrophobicContact CZ-CE3 4.16Å; F552-W573 HydrophobicContact CZ-CH2 4.12Å; F552-W573 AromaticContact CZ-CZ3 3.43Å; F552-W573 HydrophobicContact CZ-CZ3 3.43Å; F552-W573 VanDerWaalsContact CZ-CZ3 3.43Å; F552-T574 HydrophobicContact CE1-CG2 4.4Å; F552-T574 HydrophobicContact CZ-CG2 4.16Å
553	T	90	Very high	81.5	Confident	19 Å²	19	50.5 Å²	50.5	12%	0.117	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.3	175.9	-43.4	0	0	0	0	111	P624	T553-P624 HydrophobicContact CG2-CB 3.84Å
554	L	91.2	Very high	82.9	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-75.9	123.7	172.6	-65.1	173.3	0	0	0	109.3	F527 F529 Q533 V535 L563 I565 S627	F527-L554 HydrophobicContact CE1-CD1 3.86Å; F527-L554 HydrophobicContact CZ-CD1 3.99Å; F529-L554 HydrophobicContact CB-CD1 4.28Å; F529-L554 HydrophobicContact CD1-CD1 4.22Å; F529-L554 HydrophobicContact CD2-CB 4.41Å; F529-L554 HydrophobicContact CD2-CD1 3.45Å; F529-L554 VanDerWaalsContact CD2-CD1 3.45Å; F529-L554 HydrophobicContact CE1-CD1 4.45Å; F529-L554 HydrophobicContact CE2-CB 4.06Å; F529-L554 HydrophobicContact CE2-CD1 3.74Å; F529-L554 HydrophobicContact CG-CD1 3.72Å; F529-L554 HydrophobicContact CZ-CD1 4.23Å; Q533-L554 PolarHBondContact O-N 3.25Å; V535-L554 HydrophobicContact CG1-CD1 3.85Å; V535-L554 HydrophobicContact CG1-CD2 4.16Å; V535-L554 HydrophobicContact CG1-CG 4.05Å; V535-L554 HydrophobicContact CG2-CD2 3.84Å; V535-L554 HydrophobicContact CG2-CG 4.28Å; L554-L563 HydrophobicContact CD1-CD2 4.48Å; L554-L563 HydrophobicContact CD2-CB 4.3Å; L554-L563 HydrophobicContact CD2-CD2 4.44Å; L554-I565 HydrophobicContact CD2-CG2 4.1Å; L554-S627 PolarHBondContact O-OG 2.99Å
555	A	90.5	Very high	84.8	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.025	25%	0.247	C	C	.	.			trans	-91.2	-14.8	176.3	0	0	0	0	0	112.9	K564 Y566 A626	A555-K564 HydrophobicContact CB-CB 4.47Å; A555-K564 PolarHBondContact N-O 2.97Å; A555-Y566 HydrophobicContact CB-CD2 3.58Å; A555-Y566 HydrophobicContact CB-CE2 3.57Å; A555-A626 HydrophobicContact CB-CB 4.05Å
556	S	91.3	Very high	86.6	Confident	1 Å²	1	39 Å²	39	1%	0.007	21%	0.209	C	C	.	.	S	Bend	trans	-74	150.4	173.3	47.8	0	0	0	0	111.7	F529 E560 I562 K564 S627	F529-S556 WeakPolarHBondContact CE2-O 3.49Å; F529-S556 WeakPolarHBondContact CZ-O 3.27Å; S556-E560 VanDerWaalsContact CB-OE2 3.25Å; S556-E560 WeakPolarHBondContact CB-OE2 3.3Å; S556-I562 WeakPolarHBondContact CB-O 3.2Å; S556-K564 PolarHBondContact OG-N 3.19Å; S556-S627 WeakPolarHBondContact O-CB 3.4Å
557	T	89.4	Confident	88.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.			trans	-81.2	158.4	174.2	57.9	0	0	0	0	112.1	F529 D559 E560 L630 D631 R634	F529-T557 WeakPolarHBondContact CZ-O 3.35Å; T557-D559 WeakPolarHBondContact CB-OD1 3.46Å; T557-D559 PolarHBondContact O-N 3.45Å; T557-D559 VanDerWaalsContact O-N 3.11Å; T557-D559 PolarHBondContact OG1-OD1 2.89Å; T557-E560 PolarHBondContact O-N 2.88Å; T557-E560 VanDerWaalsContact O-N 3.09Å; T557-E560 WeakPolarHBondContact OG1-CG 3.34Å; T557-L630 HydrophobicContact CG2-CB 3.36Å; T557-L630 HydrophobicContact CG2-CD1 4.07Å; T557-L630 HydrophobicContact CG2-CG 4.38Å; T557-D631 HydrophobicContact CG2-CB 4.36Å; T557-R634 PolarHBondContact OG1-NH1 2.85Å
558	P	87.8	Confident	89.1	Confident	32 Å²	32	33 Å²	33	21%	0.208	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.1	-177.4	-27.9	37.8	0	0	0	116.1	R523 F529 S531	R523-P558 PolarHBondContact NH1-O 2.82Å; R523-P558 PolarHBondContact NH2-O 3.37Å; F529-P558 HydrophobicContact CE2-CG 4.47Å; F529-P558 WeakPolarHBondContact O-CB 3.48Å; S531-P558 WeakPolarHBondContact OG-CD 3.21Å; S531-P558 WeakPolarHBondContact OG-CG 3.01Å
559	D	86.6	Confident	89.5	Confident	96 Å²	96	31.1 Å²	31.1	51%	0.513	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-16	178.3	55.1	-41.1	0	0	0	113.2	T557 R634	T557-D559 WeakPolarHBondContact CB-OD1 3.46Å; T557-D559 PolarHBondContact O-N 3.45Å; T557-D559 VanDerWaalsContact O-N 3.11Å; T557-D559 PolarHBondContact OG1-OD1 2.89Å; D559-R634 IonicContact OD1-NH1 2.87Å; D559-R634 PolarHBondContact OD1-NH1 2.64Å; D559-R634 IonicContact OD2-CZ 3.45Å; D559-R634 IonicContact OD2-NE 2.79Å; D559-R634 IonicContact OD2-NH1 3.77Å; D559-R634 PolarHBondContact OD2-NH1 2.78Å
560	E	88.8	Confident	89.3	Confident	28 Å²	28	35.3 Å²	35.3	13%	0.131	19%	0.191	C	C	.	.			trans	-71.2	141.3	179.8	-79.6	-179	179.5	0	0	112.5	R523 S556 T557 I562 K564	R523-E560 WeakPolarHBondContact CD-O 3.29Å; R523-E560 PolarHBondContact NH1-O 2.77Å; S556-E560 VanDerWaalsContact CB-OE2 3.25Å; S556-E560 WeakPolarHBondContact CB-OE2 3.3Å; T557-E560 PolarHBondContact O-N 2.88Å; T557-E560 VanDerWaalsContact O-N 3.09Å; T557-E560 WeakPolarHBondContact OG1-CG 3.34Å; E560-I562 VanDerWaalsContact C-N 3.26Å; E560-I562 PolarHBondContact O-N 2.87Å; E560-K564 IonicContact OE1-NZ 2.88Å; E560-K564 PolarHBondContact OE1-NZ 2.89Å; E560-K564 WeakPolarHBondContact OE2-CE 3.36Å; E560-K564 IonicContact OE2-NZ 3.67Å; E560-K564 PolarHBondContact OE2-NZ 3.05Å
561	P	90.8	Very high	89	Confident	98 Å²	98	34 Å²	34	64%	0.636	19%	0.191	S	C	*	.	S	Bend	trans	-79.3	-8.8	175.4	32.7	-35.9	0	0	0	113.1	R523	R523-P561 WeakPolarHBondContact CB-O 3.34Å; R523-P561 PolarHBondContact N-O 3.22Å; R523-P561 VanDerWaalsContact N-O 3.15Å
562	I	92.7	Very high	88.7	Confident	52 Å²	52	35.8 Å²	35.8	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.5	179.1	58.1	172.3	0	0	0	109.9	L507 F521 S556 E560 K564	L507-I562 HydrophobicContact CD1-CG2 3.85Å; F521-I562 WeakPolarHBondContact O-CA 3.4Å; S556-I562 WeakPolarHBondContact CB-O 3.2Å; E560-I562 VanDerWaalsContact C-N 3.26Å; E560-I562 PolarHBondContact O-N 2.87Å; I562-K564 VanDerWaalsContact CD1-CE 3.45Å; I562-K564 HydrophobicContact CD1-CG 4.4Å
563	L	92.6	Very high	88.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	173.9	-61.3	178.6	0	0	0	109	A520 F521 R523 F527 F529 L554 M596	A520-L563 WeakPolarHBondContact CA-O 3.45Å; F521-L563 PolarHBondContact N-O 2.98Å; F521-L563 PolarHBondContact O-N 3Å; R523-L563 HydrophobicContact CB-CD2 4.46Å; R523-L563 HydrophobicContact CB-CG 4.06Å; R523-L563 HydrophobicContact CG-CD1 4.43Å; R523-L563 HydrophobicContact CG-CD2 4.23Å; R523-L563 HydrophobicContact CG-CG 4.21Å; F527-L563 HydrophobicContact CD1-CD1 3.79Å; F527-L563 HydrophobicContact CD1-CD2 4.19Å; F527-L563 HydrophobicContact CE1-CD1 3.76Å; F527-L563 HydrophobicContact CE1-CD2 4.03Å; F529-L563 HydrophobicContact CD1-CD2 4.18Å; F529-L563 HydrophobicContact CE1-CD2 3.51Å; F529-L563 HydrophobicContact CZ-CD2 3.96Å; L554-L563 HydrophobicContact CD1-CD2 4.48Å; L554-L563 HydrophobicContact CD2-CB 4.3Å; L554-L563 HydrophobicContact CD2-CD2 4.44Å; L563-M596 HydrophobicContact CD1-CE 3.89Å; L563-M596 HydrophobicContact CD1-SD 3.9Å
564	K	93.1	Very high	88.6	Confident	45 Å²	45	34.9 Å²	34.9	20%	0.196	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.6	-177.4	-61	167.6	-174.3	159.3	0	109.8	Y518 A555 S556 E560 I562	Y518-K564 HydrophobicContact CE2-CB 4.15Å; Y518-K564 HydrophobicContact CE2-CG 4.15Å; A555-K564 HydrophobicContact CB-CB 4.47Å; A555-K564 PolarHBondContact N-O 2.97Å; S556-K564 PolarHBondContact OG-N 3.19Å; E560-K564 IonicContact OE1-NZ 2.88Å; E560-K564 PolarHBondContact OE1-NZ 2.89Å; E560-K564 WeakPolarHBondContact OE2-CE 3.36Å; E560-K564 IonicContact OE2-NZ 3.67Å; E560-K564 PolarHBondContact OE2-NZ 3.05Å; I562-K564 VanDerWaalsContact CD1-CE 3.45Å; I562-K564 HydrophobicContact CD1-CG 4.4Å
565	I	92.5	Very high	88.5	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.8	171.7	68	177.7	0	0	0	110.9	I519 F521 I537 L554 V567	I519-I565 HydrophobicContact CB-CD1 4.13Å; I519-I565 HydrophobicContact CB-CG1 3.82Å; I519-I565 HydrophobicContact CD1-CD1 4.24Å; I519-I565 HydrophobicContact CG1-CD1 4.47Å; I519-I565 HydrophobicContact CG1-CG1 4.37Å; I519-I565 PolarHBondContact N-O 3.26Å; I519-I565 PolarHBondContact O-N 3.49Å; F521-I565 HydrophobicContact CE2-CD1 3.57Å; F521-I565 HydrophobicContact CE2-CG1 3.81Å; F521-I565 HydrophobicContact CE2-CG2 4.47Å; F521-I565 HydrophobicContact CZ-CD1 3.8Å; F521-I565 HydrophobicContact CZ-CG1 4.39Å; I537-I565 HydrophobicContact CD1-CD1 3.24Å; I537-I565 HydrophobicContact CD1-CG2 4.26Å; L554-I565 HydrophobicContact CD2-CG2 4.1Å; I565-V567 HydrophobicContact CD1-CG2 3.79Å; I565-V567 HydrophobicContact CG1-CG2 4.11Å
566	Y	90.4	Very high	88.5	Confident	24 Å²	24	45.3 Å²	45.3	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.3	172.7	-67.2	-90.5	0	0	0	108.7	L512 V516 Y518 A555 W663 I667	L512-Y566 HydrophobicContact CD1-CD1 3.93Å; L512-Y566 HydrophobicContact CD1-CE1 3.82Å; V516-Y566 HydrophobicContact CG1-CD1 4.02Å; Y518-Y566 HydrophobicContact CD2-CD1 4.17Å; Y518-Y566 AromaticContact CD2-CE1 3.57Å; Y518-Y566 HydrophobicContact CD2-CE1 3.57Å; Y518-Y566 HydrophobicContact CD2-CE2 4.24Å; Y518-Y566 AromaticContact CD2-CZ 3.62Å; Y518-Y566 HydrophobicContact CE2-CE1 4.41Å; Y518-Y566 HydrophobicContact CG-CE1 4.28Å; A555-Y566 HydrophobicContact CB-CD2 3.58Å; A555-Y566 HydrophobicContact CB-CE2 3.57Å; Y566-W663 HydrophobicContact CD1-CB 4.27Å; Y566-W663 AromaticContact CD1-CD2 3.45Å; Y566-W663 HydrophobicContact CD1-CD2 3.45Å; Y566-W663 VanDerWaalsContact CD1-CD2 3.45Å; Y566-W663 AromaticContact CD1-CE2 3.85Å; Y566-W663 AromaticContact CD1-CE3 3.63Å; Y566-W663 HydrophobicContact CD1-CE3 3.63Å; Y566-W663 AromaticContact CD1-CG 3.75Å; Y566-W663 HydrophobicContact CD1-CG 3.75Å; Y566-W663 HydrophobicContact CD1-CH2 4.44Å; Y566-W663 HydrophobicContact CD1-CZ2 4.35Å; Y566-W663 HydrophobicContact CD1-CZ3 4.11Å; Y566-W663 HydrophobicContact CD2-CD2 4.31Å; Y566-W663 AromaticContact CD2-CE3 3.72Å; Y566-W663 HydrophobicContact CD2-CE3 3.72Å; Y566-W663 AromaticContact CD2-CH2 3.78Å; Y566-W663 HydrophobicContact CD2-CH2 3.78Å; Y566-W663 HydrophobicContact CD2-CZ2 4.39Å; Y566-W663 AromaticContact CD2-CZ3 3.41Å; Y566-W663 HydrophobicContact CD2-CZ3 3.41Å; Y566-W663 VanDerWaalsContact CD2-CZ3 3.41Å; Y566-W663 HydrophobicContact CE1-CB 3.66Å; Y566-W663 AromaticContact CE1-CD2 3.45Å; Y566-W663 HydrophobicContact CE1-CD2 3.45Å; Y566-W663 VanDerWaalsContact CE1-CD2 3.45Å; Y566-W663 AromaticContact CE1-CE3 3.35Å; Y566-W663 HydrophobicContact CE1-CE3 3.35Å; Y566-W663 AromaticContact CE1-CG 3.61Å; Y566-W663 HydrophobicContact CE1-CG 3.61Å; Y566-W663 HydrophobicContact CE1-CZ3 4.11Å; Y566-W663 HydrophobicContact CE2-CD2 4.3Å; Y566-W663 AromaticContact CE2-CE3 3.45Å; Y566-W663 HydrophobicContact CE2-CE3 3.45Å; Y566-W663 VanDerWaalsContact CE2-CE3 3.45Å; Y566-W663 HydrophobicContact CE2-CH2 4.24Å; Y566-W663 AromaticContact CE2-CZ3 3.39Å; Y566-W663 HydrophobicContact CE2-CZ3 3.39Å; Y566-W663 AromaticContact CG-CD2 3.9Å; Y566-W663 HydrophobicContact CG-CD2 3.9Å; Y566-W663 AromaticContact CG-CE3 3.8Å; Y566-W663 HydrophobicContact CG-CE3 3.8Å; Y566-W663 AromaticContact CG-CH2 3.88Å; Y566-W663 HydrophobicContact CG-CH2 3.88Å; Y566-W663 HydrophobicContact CG-CZ2 4.02Å; Y566-W663 AromaticContact CG-CZ3 3.77Å; Y566-W663 HydrophobicContact CG-CZ3 3.77Å; Y566-W663 AromaticContact CZ-CD2 3.88Å; Y566-W663 AromaticContact CZ-CE3 3.24Å; Y566-W663 AromaticContact CZ-CZ3 3.75Å; Y566-I667 HydrophobicContact CE2-CD1 4.26Å
567	V	89.8	Confident	88.4	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.6	-176.2	-180	0	0	0	0	109.2	T517 F552 I565 T574 L577	T517-V567 PolarHBondContact N-O 2.69Å; T517-V567 PolarHBondContact O-N 3.33Å; F552-V567 HydrophobicContact CD1-CB 4.48Å; F552-V567 HydrophobicContact CD1-CG1 4.38Å; F552-V567 HydrophobicContact CD1-CG2 3.84Å; F552-V567 HydrophobicContact CD2-CG2 4.41Å; F552-V567 HydrophobicContact CE1-CB 4.17Å; F552-V567 HydrophobicContact CE1-CG1 3.6Å; F552-V567 HydrophobicContact CE1-CG2 3.84Å; F552-V567 HydrophobicContact CE2-CG2 4.37Å; F552-V567 HydrophobicContact CG-CG2 4.14Å; F552-V567 HydrophobicContact CZ-CG1 3.81Å; F552-V567 HydrophobicContact CZ-CG2 4.11Å; I565-V567 HydrophobicContact CD1-CG2 3.79Å; I565-V567 HydrophobicContact CG1-CG2 4.11Å; V567-T574 HydrophobicContact CG1-CG2 3.62Å; V567-L577 HydrophobicContact CG1-CD2 4.33Å; V567-L577 HydrophobicContact CG2-CD2 4.48Å
568	K	86.6	Confident	88.6	Confident	49 Å²	49	46.8 Å²	46.8	21%	0.213	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.7	173	-167	172.6	-172.8	171.9	0	110.5	V516 Q570 I620	V516-K568 HydrophobicContact CG2-CB 4.48Å; V516-K568 HydrophobicContact CG2-CG 4.32Å; K568-Q570 HydrophobicContact CB-CG 4.32Å; K568-Q570 HydrophobicContact CD-CG 4.33Å; K568-Q570 HydrophobicContact CG-CG 4.07Å; K568-Q570 PolarHBondContact O-N 2.87Å; K568-I620 HydrophobicContact CB-CD1 4.07Å; K568-I620 HydrophobicContact CD-CD1 4.29Å
569	A	86.6	Confident	88.7	Confident	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.242	C	C	.	.			trans	-70.3	114.9	172.9	0	0	0	0	0	109.3	D515 W575	D515-A569 HydrophobicContact CB-CB 3.8Å; D515-A569 PolarHBondContact O-N 3.48Å; A569-W575 HydrophobicContact CB-CD2 3.74Å; A569-W575 HydrophobicContact CB-CE3 4.1Å; A569-W575 HydrophobicContact CB-CG 4.19Å; A569-W575 HydrophobicContact CB-CH2 4.22Å; A569-W575 HydrophobicContact CB-CZ2 3.87Å; A569-W575 HydrophobicContact CB-CZ3 4.34Å
570	Q	80.7	Confident	88.9	Confident	149 Å²	149	43.3 Å²	43.3	70%	0.696	23%	0.227	S	C	*	.			trans	-139.1	-12.1	-176.8	-68.5	-65.4	-63.4	0	0	112	K568 T574	K568-Q570 HydrophobicContact CB-CG 4.32Å; K568-Q570 HydrophobicContact CD-CG 4.33Å; K568-Q570 HydrophobicContact CG-CG 4.07Å; K568-Q570 PolarHBondContact O-N 2.87Å; Q570-T574 PolarHBondContact N-OG1 3.01Å
571	G	79.3	Confident	89	Confident	24 Å²	24	42.1 Å²	42.1	25%	0.247	22%	0.222	C	C	.	.	S	Bend	trans	-156.6	177.8	-177.5	0	0	0	0	0	112.5	W573 T574 W575	G571-W573 VanDerWaalsContact C-N 3.31Å; G571-W573 PolarHBondContact O-N 2.8Å; G571-T574 PolarHBondContact N-OG1 2.74Å; G571-T574 PolarHBondContact O-N 2.84Å; G571-T574 PolarHBondContact O-OG1 2.89Å; G571-T574 VanDerWaalsContact O-OG1 3.05Å; G571-W575 PolarHBondContact O-N 3.1Å
572	P	82.7	Confident	89.1	Confident	97 Å²	97	42.9 Å²	42.9	63%	0.63	21%	0.212	S	C	*	.	H	α-helix	trans	-58.5	-39.9	-172.8	-26.3	34.9	0	0	0	113.6	K576	P572-K576 WeakPolarHBondContact O-CB 3.32Å; P572-K576 VanDerWaalsContact O-CG 3.29Å; P572-K576 WeakPolarHBondContact O-CG 3.4Å; P572-K576 PolarHBondContact O-N 3.13Å
573	W	86.8	Confident	88.9	Confident	11 Å²	11	45.2 Å²	45.2	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-45.3	179.4	-173.4	102.3	0	0	0	112.1	I537 C539 F542 S543 H550 F552 G571 K576 L577	I537-W573 HydrophobicContact CG2-CH2 4.36Å; C539-W573 HydrophobicContact CB-CZ2 4.29Å; F542-W573 AromaticContact CE2-CD1 3.67Å; F542-W573 HydrophobicContact CE2-CD2 4.2Å; F542-W573 AromaticContact CE2-CE2 3.9Å; F542-W573 HydrophobicContact CE2-CG 4.04Å; F542-W573 AromaticContact CE2-NE1 3.54Å; S543-W573 PolarHBondContact OG-NE1 3.45Å; S543-W573 VanDerWaalsContact OG-NE1 3.08Å; H550-W573 HydrophobicContact CB-CE3 4.27Å; H550-W573 HydrophobicContact CB-CH2 4.36Å; H550-W573 HydrophobicContact CB-CZ3 4.22Å; H550-W573 AromaticContact CD2-CD1 3.45Å; H550-W573 VanDerWaalsContact CD2-CD1 3.45Å; H550-W573 AromaticContact CD2-CD2 3.25Å; H550-W573 AromaticContact CD2-CE2 3.35Å; H550-W573 AromaticContact CD2-CE3 3.81Å; H550-W573 AromaticContact CD2-CG 3.37Å; H550-W573 AromaticContact CD2-NE1 3.45Å; H550-W573 PolarHBondContact CD2-NE1 3.43Å; H550-W573 AromaticContact CE1-CG 3.92Å; H550-W573 AromaticContact CG-CD2 3.84Å; H550-W573 AromaticContact CG-CE3 3.91Å; H550-W573 WeakPolarHBondContact NE2-CB 3.14Å; H550-W573 AromaticContact NE2-CD1 3.26Å; H550-W573 VanDerWaalsContact NE2-CD1 3.26Å; H550-W573 AromaticContact NE2-CD2 3.61Å; H550-W573 AromaticContact NE2-CG 3.16Å; H550-W573 AromaticContact NE2-NE1 3.78Å; F552-W573 AromaticContact CE2-CH2 3.7Å; F552-W573 HydrophobicContact CE2-CH2 3.7Å; F552-W573 AromaticContact CE2-CZ3 3.51Å; F552-W573 HydrophobicContact CE2-CZ3 3.51Å; F552-W573 HydrophobicContact CZ-CE3 4.16Å; F552-W573 HydrophobicContact CZ-CH2 4.12Å; F552-W573 AromaticContact CZ-CZ3 3.43Å; F552-W573 HydrophobicContact CZ-CZ3 3.43Å; F552-W573 VanDerWaalsContact CZ-CZ3 3.43Å; G571-W573 VanDerWaalsContact C-N 3.31Å; G571-W573 PolarHBondContact O-N 2.8Å; W573-K576 PolarHBondContact O-N 2.96Å; W573-L577 HydrophobicContact CH2-CD2 3.8Å; W573-L577 HydrophobicContact CZ3-CB 4.4Å; W573-L577 HydrophobicContact CZ3-CD2 3.67Å; W573-L577 PolarHBondContact O-N 3.12Å
574	T	90.1	Very high	88.8	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-33.5	-179.4	47.2	0	0	0	0	111.8	F552 V567 Q570 G571 R578	F552-T574 HydrophobicContact CE1-CG2 4.4Å; F552-T574 HydrophobicContact CZ-CG2 4.16Å; V567-T574 HydrophobicContact CG1-CG2 3.62Å; Q570-T574 PolarHBondContact N-OG1 3.01Å; G571-T574 PolarHBondContact N-OG1 2.74Å; G571-T574 PolarHBondContact O-N 2.84Å; G571-T574 PolarHBondContact O-OG1 2.89Å; G571-T574 VanDerWaalsContact O-OG1 3.05Å; T574-R578 WeakPolarHBondContact O-CB 3.36Å; T574-R578 PolarHBondContact O-N 3.03Å
575	W	89.8	Confident	88.6	Confident	103 Å²	103	47.1 Å²	47.1	39%	0.39	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-43.2	170.8	-93.2	127.9	0	0	0	113.1	D515 A569 G571 L577 R578 C579	D515-W575 HydrophobicContact CB-CH2 4.12Å; D515-W575 HydrophobicContact CB-CZ2 4.2Å; D515-W575 VanDerWaalsContact OD1-CH2 3.3Å; D515-W575 WeakPolarHBondContact OD1-CH2 3.37Å; A569-W575 HydrophobicContact CB-CD2 3.74Å; A569-W575 HydrophobicContact CB-CE3 4.1Å; A569-W575 HydrophobicContact CB-CG 4.19Å; A569-W575 HydrophobicContact CB-CH2 4.22Å; A569-W575 HydrophobicContact CB-CZ2 3.87Å; A569-W575 HydrophobicContact CB-CZ3 4.34Å; G571-W575 PolarHBondContact O-N 3.1Å; W575-L577 VanDerWaalsContact C-N 3.32Å; W575-L577 PolarHBondContact O-N 3Å; W575-R578 HydrophobicContact CE3-CB 4.11Å; W575-R578 HydrophobicContact CE3-CG 4.28Å; W575-R578 HydrophobicContact CZ3-CB 4.4Å; W575-R578 HydrophobicContact CZ3-CG 4.07Å; W575-R578 PolarHBondContact O-N 3.09Å; W575-C579 WeakPolarHBondContact O-CB 3.22Å; W575-C579 PolarHBondContact O-N 3.37Å; W575-C579 PolarHBondContact O-SG 3.26Å; W575-C579 VanDerWaalsContact O-SG 3.33Å
576	K	89.3	Confident	88.4	Confident	121 Å²	121	53.2 Å²	53.2	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-42	174.8	-77.3	175.3	-179.2	178.5	0	111.9	F542 P572 W573 C579 G580	F542-K576 HydrophobicContact CD1-CB 4.35Å; F542-K576 HydrophobicContact CD2-CB 4.04Å; F542-K576 HydrophobicContact CD2-CD 4.11Å; F542-K576 HydrophobicContact CE1-CB 4.28Å; F542-K576 HydrophobicContact CE2-CB 3.95Å; F542-K576 HydrophobicContact CG-CB 4.24Å; F542-K576 HydrophobicContact CG-CD 4.42Å; F542-K576 HydrophobicContact CZ-CB 4.09Å; P572-K576 WeakPolarHBondContact O-CB 3.32Å; P572-K576 VanDerWaalsContact O-CG 3.29Å; P572-K576 WeakPolarHBondContact O-CG 3.4Å; P572-K576 PolarHBondContact O-N 3.13Å; W573-K576 PolarHBondContact O-N 2.96Å; K576-C579 PolarHBondContact O-N 3.32Å; K576-G580 PolarHBondContact O-N 2.97Å
577	L	91.1	Very high	88.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-48	174.7	-177.5	60.2	0	0	0	111.4	I519 F542 V567 W573 W575 G580 I581 P592 L594	I519-L577 HydrophobicContact CD1-CD1 4.46Å; I519-L577 HydrophobicContact CD1-CD2 3.85Å; I519-L577 HydrophobicContact CD1-CG 4.32Å; F542-L577 HydrophobicContact CE1-CB 4.47Å; F542-L577 HydrophobicContact CE1-CD1 4.47Å; F542-L577 HydrophobicContact CZ-CB 3.92Å; F542-L577 HydrophobicContact CZ-CD1 4.35Å; V567-L577 HydrophobicContact CG1-CD2 4.33Å; V567-L577 HydrophobicContact CG2-CD2 4.48Å; W573-L577 HydrophobicContact CH2-CD2 3.8Å; W573-L577 HydrophobicContact CZ3-CB 4.4Å; W573-L577 HydrophobicContact CZ3-CD2 3.67Å; W573-L577 PolarHBondContact O-N 3.12Å; W575-L577 VanDerWaalsContact C-N 3.32Å; W575-L577 PolarHBondContact O-N 3Å; L577-G580 PolarHBondContact O-N 2.96Å; L577-I581 HydrophobicContact CD1-CD1 4.15Å; L577-I581 HydrophobicContact CG-CD1 4.11Å; L577-I581 WeakPolarHBondContact O-CG1 3.43Å; L577-I581 PolarHBondContact O-N 3.42Å; L577-P592 HydrophobicContact CD1-CG 4.05Å; L577-L594 HydrophobicContact CD1-CD1 4.37Å; L577-L594 HydrophobicContact CD1-CD2 3.99Å
578	R	92	Very high	88	Confident	30 Å²	30	63 Å²	63	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-44.3	178.6	-172.8	169.1	173.1	87.5	-8.1	112.1	L511 L512 V516 T517 T574 W575 I581 R582	L511-R578 HydrophobicContact CD2-CG 3.62Å; L512-R578 PolarHBondContact O-NH2 2.99Å; V516-R578 VanDerWaalsContact C-NH1 3.33Å; V516-R578 PolarHBondContact O-NH1 3Å; T517-R578 WeakPolarHBondContact OG1-CG 3.15Å; T517-R578 PolarHBondContact OG1-NH1 3.41Å; T574-R578 WeakPolarHBondContact O-CB 3.36Å; T574-R578 PolarHBondContact O-N 3.03Å; W575-R578 HydrophobicContact CE3-CB 4.11Å; W575-R578 HydrophobicContact CE3-CG 4.28Å; W575-R578 HydrophobicContact CZ3-CB 4.4Å; W575-R578 HydrophobicContact CZ3-CG 4.07Å; W575-R578 PolarHBondContact O-N 3.09Å; R578-I581 PolarHBondContact O-N 2.61Å; R578-R582 PolarHBondContact O-N 3.22Å
579	C	91.4	Very high	87.8	Confident	35 Å²	35	63.7 Å²	63.7	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-44.1	175.6	-70.6	0	0	0	0	112.1	W575 K576 I581 R582 E583	W575-C579 WeakPolarHBondContact O-CB 3.22Å; W575-C579 PolarHBondContact O-N 3.37Å; W575-C579 PolarHBondContact O-SG 3.26Å; W575-C579 VanDerWaalsContact O-SG 3.33Å; K576-C579 PolarHBondContact O-N 3.32Å; C579-I581 VanDerWaalsContact C-N 3.29Å; C579-I581 PolarHBondContact O-N 3.22Å; C579-R582 WeakPolarHBondContact O-CB 3.49Å; C579-R582 PolarHBondContact O-N 2.87Å; C579-R582 VanDerWaalsContact O-N 3.12Å; C579-E583 WeakPolarHBondContact O-CG 3.39Å; C579-E583 PolarHBondContact O-N 2.99Å
580	G	89.4	Confident	87.7	Confident	20 Å²	20	69.5 Å²	69.5	21%	0.206	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-35	177.5	0	0	0	0	0	113	K576 L577 A584	K576-G580 PolarHBondContact O-N 2.97Å; L577-G580 PolarHBondContact O-N 2.96Å; G580-A584 WeakPolarHBondContact O-CB 3.42Å; G580-A584 PolarHBondContact O-N 3.45Å
581	I	91.9	Very high	88.1	Confident	3 Å²	3	66 Å²	66	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-69.9	-41.1	172.4	-71.6	163.5	0	0	0	111.2	A509 L511 T517 I519 L577 R578 C579 E583 A584 Q585 Y591 P592	A509-I581 HydrophobicContact CB-CD1 4.14Å; A509-I581 HydrophobicContact CB-CG1 4.28Å; A509-I581 HydrophobicContact CB-CG2 3.7Å; L511-I581 HydrophobicContact CD2-CG2 4.05Å; L511-I581 HydrophobicContact CG-CG2 4.37Å; T517-I581 HydrophobicContact CG2-CD1 3.44Å; T517-I581 VanDerWaalsContact CG2-CD1 3.44Å; I519-I581 HydrophobicContact CD1-CD1 3.67Å; I519-I581 HydrophobicContact CG1-CD1 4.07Å; L577-I581 HydrophobicContact CD1-CD1 4.15Å; L577-I581 HydrophobicContact CG-CD1 4.11Å; L577-I581 WeakPolarHBondContact O-CG1 3.43Å; L577-I581 PolarHBondContact O-N 3.42Å; R578-I581 PolarHBondContact O-N 2.61Å; C579-I581 VanDerWaalsContact C-N 3.29Å; C579-I581 PolarHBondContact O-N 3.22Å; I581-E583 PolarHBondContact O-N 3.28Å; I581-A584 WeakPolarHBondContact O-CB 3.36Å; I581-A584 PolarHBondContact O-N 2.77Å; I581-Q585 WeakPolarHBondContact O-CG 3.41Å; I581-Q585 PolarHBondContact O-N 2.79Å; I581-Y591 HydrophobicContact CG2-CE1 4.27Å; I581-P592 HydrophobicContact CG1-CG 4Å
582	R	91.6	Very high	88.3	Confident	114 Å²	114	65.2 Å²	65.2	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-44.8	175.7	-174.7	175.1	61.5	-170.9	-2.4	111.8	L511 R578 C579 Q585 Q586	L511-R582 HydrophobicContact CD1-CB 3.74Å; L511-R582 HydrophobicContact CD1-CG 4.01Å; R578-R582 PolarHBondContact O-N 3.22Å; C579-R582 WeakPolarHBondContact O-CB 3.49Å; C579-R582 PolarHBondContact O-N 2.87Å; C579-R582 VanDerWaalsContact O-N 3.12Å; R582-Q585 PolarHBondContact O-N 2.92Å; R582-Q586 HydrophobicContact CG-CG 4.4Å; R582-Q586 WeakPolarHBondContact O-CB 3.16Å; R582-Q586 VanDerWaalsContact O-CG 3.32Å; R582-Q586 WeakPolarHBondContact O-CG 3.25Å; R582-Q586 PolarHBondContact O-N 3.44Å
583	E	89.5	Confident	88.5	Confident	101 Å²	101	64.4 Å²	64.4	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-42.9	176.1	-73	168.9	-168.4	0	0	111.3	C579 I581 Q585 Q586 F587	C579-E583 WeakPolarHBondContact O-CG 3.39Å; C579-E583 PolarHBondContact O-N 2.99Å; I581-E583 PolarHBondContact O-N 3.28Å; E583-Q585 VanDerWaalsContact C-N 3.32Å; E583-Q585 PolarHBondContact O-N 3.02Å; E583-Q586 PolarHBondContact O-N 3.02Å; E583-F587 HydrophobicContact CB-CD2 4.28Å; E583-F587 HydrophobicContact CG-CE2 4.47Å; E583-F587 VanDerWaalsContact O-CD2 3.29Å; E583-F587 WeakPolarHBondContact O-CD2 3.47Å; E583-F587 PolarHBondContact O-N 3.02Å
584	A	89.6	Confident	88.5	Confident	4 Å²	4	64 Å²	64	3%	0.033	33%	0.33	C	S	.	.	H	α-helix	trans	-58.2	-42.5	174.3	0	0	0	0	0	112.7	G580 I581 G588 S589 Y591	G580-A584 WeakPolarHBondContact O-CB 3.42Å; G580-A584 PolarHBondContact O-N 3.45Å; I581-A584 WeakPolarHBondContact O-CB 3.36Å; I581-A584 PolarHBondContact O-N 2.77Å; A584-G588 CarbonylContact O-C 3.56Å; A584-G588 VanDerWaalsContact O-CA 3.28Å; A584-G588 WeakPolarHBondContact O-CA 3.5Å; A584-G588 PolarHBondContact O-N 2.83Å; A584-S589 VanDerWaalsContact CA-OG 3.32Å; A584-S589 WeakPolarHBondContact CA-OG 3.42Å; A584-S589 WeakPolarHBondContact CB-O 3.38Å; A584-S589 PolarHBondContact O-N 3.05Å; A584-S589 VanDerWaalsContact O-N 3.15Å; A584-Y591 HydrophobicContact CB-CD1 3.73Å; A584-Y591 HydrophobicContact CB-CE1 4.08Å
585	Q	89.3	Confident	88.4	Confident	82 Å²	82	64.1 Å²	64.1	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-70.6	-38.1	177.4	-70.3	176.4	-22.1	0	0	113.1	A509 I581 R582 E583 Y591	A509-Q585 PolarHBondContact O-NE2 3.28Å; I581-Q585 WeakPolarHBondContact O-CG 3.41Å; I581-Q585 PolarHBondContact O-N 2.79Å; R582-Q585 PolarHBondContact O-N 2.92Å; E583-Q585 VanDerWaalsContact C-N 3.32Å; E583-Q585 PolarHBondContact O-N 3.02Å; Q585-Y591 HydrophobicContact CG-CE1 4.12Å
586	Q	87.8	Confident	88.4	Confident	129 Å²	129	59.4 Å²	59.4	60%	0.603	31%	0.312	S	S	*	.	H	α-helix	trans	-74.8	-40.1	-178	-75.7	178.2	-18.5	0	0	113.1	R582 E583	R582-Q586 HydrophobicContact CG-CG 4.4Å; R582-Q586 WeakPolarHBondContact O-CB 3.16Å; R582-Q586 VanDerWaalsContact O-CG 3.32Å; R582-Q586 WeakPolarHBondContact O-CG 3.25Å; R582-Q586 PolarHBondContact O-N 3.44Å; E583-Q586 PolarHBondContact O-N 3.02Å
587	F	89.2	Confident	88.2	Confident	160 Å²	160	53.8 Å²	53.8	70%	0.702	29%	0.288	S	S	*	.	H	α-helix	trans	-101.7	-1	-175.5	-60.7	-69.1	0	0	0	113.6	E583 S589	E583-F587 HydrophobicContact CB-CD2 4.28Å; E583-F587 HydrophobicContact CG-CE2 4.47Å; E583-F587 VanDerWaalsContact O-CD2 3.29Å; E583-F587 WeakPolarHBondContact O-CD2 3.47Å; E583-F587 PolarHBondContact O-N 3.02Å; F587-S589 PolarHBondContact O-N 3.39Å
588	G	84.1	Confident	87.8	Confident	71 Å²	71	53.9 Å²	53.9	73%	0.732	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	24.3	-175.4	0	0	0	0	0	113.5	A584	A584-G588 CarbonylContact O-C 3.56Å; A584-G588 VanDerWaalsContact O-CA 3.28Å; A584-G588 WeakPolarHBondContact O-CA 3.5Å; A584-G588 PolarHBondContact O-N 2.83Å
589	S	81.8	Confident	87.5	Confident	64 Å²	64	53.6 Å²	53.6	45%	0.448	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-82.5	163.7	178.1	69.7	0	0	0	0	111.4	A584 F587	A584-S589 VanDerWaalsContact CA-OG 3.32Å; A584-S589 WeakPolarHBondContact CA-OG 3.42Å; A584-S589 WeakPolarHBondContact CB-O 3.38Å; A584-S589 PolarHBondContact O-N 3.05Å; A584-S589 VanDerWaalsContact O-N 3.15Å; F587-S589 PolarHBondContact O-N 3.39Å
590	T	85.3	Confident	87	Confident	127 Å²	127	52.1 Å²	52.1	78%	0.779	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-63.8	138.2	179.3	53.9	0	0	0	0	111
591	Y	88.4	Confident	86.1	Confident	75 Å²	75	51.7 Å²	51.7	29%	0.294	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-55.3	150	172.3	-69.5	-58.9	0	0	0	112.1	V506 A509 I581 A584 Q585 L593	V506-Y591 HydrophobicContact CB-CD2 4.27Å; V506-Y591 HydrophobicContact CB-CG 4.32Å; V506-Y591 HydrophobicContact CG1-CD2 3.9Å; V506-Y591 HydrophobicContact CG1-CG 4Å; A509-Y591 HydrophobicContact CB-CD1 4.14Å; A509-Y591 HydrophobicContact CB-CE1 3.84Å; I581-Y591 HydrophobicContact CG2-CE1 4.27Å; A584-Y591 HydrophobicContact CB-CD1 3.73Å; A584-Y591 HydrophobicContact CB-CE1 4.08Å; Q585-Y591 HydrophobicContact CG-CE1 4.12Å; Y591-L593 PolarHBondContact O-N 3.41Å
592	P	84.2	Confident	84.7	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.052	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59	137.6	179	21.6	-31.9	0	0	0	111.7	C539 L577 I581 L594	C539-P592 VanDerWaalsContact SG-CB 3.58Å; L577-P592 HydrophobicContact CD1-CG 4.05Å; I581-P592 HydrophobicContact CG1-CG 4Å; P592-L594 PolarHBondContact O-N 3.26Å
593	L	85.3	Confident	82.8	Confident	79 Å²	79	47.8 Å²	47.8	41%	0.414	27%	0.27	S	S	.	.			trans	-75.2	114.4	-178.8	-72.5	172.7	0	0	0	110.3	S540 N541 Y591	S540-L593 PolarHBondContact N-O 3.11Å; S540-L593 WeakPolarHBondContact OG-CB 3.48Å; S540-L593 PolarHBondContact OG-O 3.35Å; N541-L593 PolarHBondContact OD1-N 2.96Å; N541-L593 VanDerWaalsContact OD1-N 3.08Å; Y591-L593 PolarHBondContact O-N 3.41Å
594	L	88.4	Confident	81.2	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	144.7	-179.8	-62.3	-173.2	0	0	0	111.2	L504 V506 I519 F521 I537 R538 C539 L577 P592	L504-L594 PolarHBondContact N-O 2.93Å; V506-L594 HydrophobicContact CG2-CD1 4.31Å; V506-L594 HydrophobicContact CG2-CG 4.43Å; I519-L594 HydrophobicContact CD1-CD1 3.94Å; I519-L594 HydrophobicContact CG2-CD1 4.42Å; F521-L594 HydrophobicContact CE1-CB 3.91Å; F521-L594 HydrophobicContact CE1-CD1 3.44Å; F521-L594 VanDerWaalsContact CE1-CD1 3.44Å; F521-L594 HydrophobicContact CE1-CG 4.15Å; F521-L594 HydrophobicContact CZ-CB 4.48Å; F521-L594 HydrophobicContact CZ-CD1 3.45Å; F521-L594 VanDerWaalsContact CZ-CD1 3.45Å; I537-L594 HydrophobicContact CG2-CB 4.15Å; I537-L594 HydrophobicContact CG2-CD1 4.16Å; I537-L594 HydrophobicContact CG2-CD2 4.13Å; I537-L594 HydrophobicContact CG2-CG 4.37Å; R538-L594 WeakPolarHBondContact O-CA 3.47Å; C539-L594 HydrophobicContact CB-CD2 3.48Å; C539-L594 VanDerWaalsContact CB-CD2 3.48Å; L577-L594 HydrophobicContact CD1-CD1 4.37Å; L577-L594 HydrophobicContact CD1-CD2 3.99Å; P592-L594 PolarHBondContact O-N 3.26Å
595	Q	88.1	Confident	79.9	Confident	18 Å²	18	45.7 Å²	45.7	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.4	172.6	-40.2	-162.6	-10	0	0	109.8	K502 I537 R538 W549	K502-Q595 WeakPolarHBondContact O-CG 3.5Å; K502-Q595 PolarHBondContact O-NE2 2.68Å; K502-Q595 PolarHBondContact O-OE1 2.95Å; I537-Q595 VanDerWaalsContact CA-O 3.27Å; I537-Q595 WeakPolarHBondContact CA-O 3.49Å; R538-Q595 HydrophobicContact CG-CB 3.73Å; R538-Q595 HydrophobicContact CG-CG 4Å; R538-Q595 PolarHBondContact N-O 3.48Å; R538-Q595 PolarHBondContact O-N 3.32Å; W549-Q595 HydrophobicContact CH2-CB 4.33Å
596	M	88.4	Confident	79.1	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.9	-172.8	-173.6	-176.9	71.5	0	0	111.4	Y501 L504 P524 F527 V535 R536 L563	Y501-M596 WeakPolarHBondContact CB-O 3.43Å; Y501-M596 HydrophobicContact CD2-CE 3.98Å; Y501-M596 HydrophobicContact CE2-CE 4.44Å; Y501-M596 HydrophobicContact CG-CE 4.48Å; Y501-M596 PolarHBondContact N-O 3.39Å; Y501-M596 PolarHBondContact O-N 3.43Å; L504-M596 HydrophobicContact CD1-CB 3.43Å; L504-M596 VanDerWaalsContact CD1-CB 3.43Å; L504-M596 HydrophobicContact CD1-CE 4.05Å; L504-M596 HydrophobicContact CD1-CG 4.19Å; L504-M596 HydrophobicContact CD1-SD 3.8Å; L504-M596 HydrophobicContact CG-CB 4.21Å; P524-M596 HydrophobicContact CG-CE 4.35Å; F527-M596 HydrophobicContact CD1-CE 4.35Å; F527-M596 HydrophobicContact CD2-CE 3.6Å; F527-M596 HydrophobicContact CE1-CE 4.27Å; F527-M596 HydrophobicContact CE2-CE 3.49Å; F527-M596 VanDerWaalsContact CE2-CE 3.49Å; F527-M596 HydrophobicContact CE2-SD 4.39Å; F527-M596 HydrophobicContact CG-CE 4.04Å; F527-M596 HydrophobicContact CZ-CE 3.85Å; F527-M596 HydrophobicContact CZ-SD 4.31Å; V535-M596 HydrophobicContact CB-CG 3.72Å; V535-M596 HydrophobicContact CB-SD 4Å; V535-M596 HydrophobicContact CG1-CG 4.06Å; V535-M596 HydrophobicContact CG1-SD 3.81Å; V535-M596 HydrophobicContact CG2-CG 4.01Å; V535-M596 HydrophobicContact CG2-SD 4.01Å; R536-M596 CarbonylContact O-C 3.03Å; R536-M596 VanDerWaalsContact O-CA 3.29Å; R536-M596 WeakPolarHBondContact O-CA 3.23Å; L563-M596 HydrophobicContact CD1-CE 3.89Å; L563-M596 HydrophobicContact CD1-SD 3.9Å
597	D	86.5	Confident	78.9	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.1	173.4	168.3	27.6	0	0	0	108.4	R536 W549 Y600	R536-D597 HydrophobicContact CB-CB 4.25Å; R536-D597 IonicContact CZ-OD2 3.29Å; R536-D597 VanDerWaalsContact CZ-OD2 3.29Å; R536-D597 PolarHBondContact N-O 3.29Å; R536-D597 IonicContact NH1-OD2 2.82Å; R536-D597 PolarHBondContact NH1-OD2 2.9Å; R536-D597 IonicContact NH2-OD2 3.6Å; R536-D597 PolarHBondContact O-N 3.19Å; W549-D597 HydrophobicContact CE3-CB 4.13Å; W549-D597 HydrophobicContact CH2-CB 3.81Å; W549-D597 HydrophobicContact CZ2-CB 4.47Å; W549-D597 HydrophobicContact CZ3-CB 3.62Å; D597-Y600 HydrophobicContact CB-CE2 4.49Å; D597-Y600 WeakPolarHBondContact O-CE2 3.22Å; D597-Y600 WeakPolarHBondContact OD1-CE2 3.25Å; D597-Y600 PolarHBondContact OD1-OH 2.84Å; D597-Y600 WeakPolarHBondContact OD2-CE2 3.4Å; D597-Y600 PolarHBondContact OD2-OH 3.2Å
598	G	81.6	Confident	78.6	Confident	2 Å²	2	33.8 Å²	33.8	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-168.6	-178.4	0	0	0	0	0	113.7	Y600	G598-Y600 VanDerWaalsContact CA-CE2 3.47Å
599	P	85.5	Confident	78.5	Confident	25 Å²	25	32.9 Å²	32.9	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-81.3	155.5	6.2	34.4	-37.4	0	0	0	113.7	F527 T528 F529 Q533	F527-P599 HydrophobicContact CE2-CB 4.33Å; F527-P599 HydrophobicContact CE2-CG 4.4Å; F527-P599 HydrophobicContact CZ-CB 4.05Å; F527-P599 HydrophobicContact CZ-CG 4.44Å; T528-P599 WeakPolarHBondContact O-CG 3.32Å; F529-P599 HydrophobicContact CB-CB 3.92Å; F529-P599 HydrophobicContact CB-CG 4.04Å; Q533-P599 HydrophobicContact CB-CB 4.15Å
600	Y	80.5	Confident	78.8	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.8	174	-60.6	-71.4	0	0	0	110.1	R337 Q533 W534 R536 D597 G598	R337-Y600 HydrophobicContact CB-CD1 4.34Å; R337-Y600 HydrophobicContact CB-CE1 4.06Å; Q533-Y600 WeakPolarHBondContact CA-O 3.25Å; Q533-Y600 WeakPolarHBondContact CB-O 3.41Å; W534-Y600 HydrophobicContact CE3-CD2 4.3Å; W534-Y600 HydrophobicContact CH2-CD2 4.32Å; W534-Y600 HydrophobicContact CH2-CG 4.19Å; W534-Y600 HydrophobicContact CZ2-CG 4.39Å; W534-Y600 HydrophobicContact CZ3-CD2 4.02Å; W534-Y600 HydrophobicContact CZ3-CG 4.3Å; W534-Y600 PolarHBondContact N-O 2.89Å; W534-Y600 PolarHBondContact O-N 3.33Å; R536-Y600 HydrophobicContact CG-CD2 4.49Å; R536-Y600 HydrophobicContact CG-CE2 4.49Å; R536-Y600 PolarHBondContact NH2-OH 3.42Å; D597-Y600 HydrophobicContact CB-CE2 4.49Å; D597-Y600 WeakPolarHBondContact O-CE2 3.22Å; D597-Y600 WeakPolarHBondContact OD1-CE2 3.25Å; D597-Y600 PolarHBondContact OD1-OH 2.84Å; D597-Y600 WeakPolarHBondContact OD2-CE2 3.4Å; D597-Y600 PolarHBondContact OD2-OH 3.2Å; G598-Y600 VanDerWaalsContact CA-CE2 3.47Å
601	G	72.2	Confident	79	Confident	11 Å²	11	27.9 Å²	27.9	11%	0.113	15%	0.15	C	C	.	.			trans	81.4	-162.9	-179.8	0	0	0	0	0	113.7	R344 Q533	R344-G601 PolarHBondContact NH1-O 2.73Å; R344-G601 PolarHBondContact NH2-O 2.97Å; Q533-G601 PolarHBondContact NE2-O 2.62Å
602	A	61.3	Low	79.2	Confident	13 Å²	13	24.5 Å²	24.5	11%	0.107	14%	0.137	C	C	.	.			trans	92.3	43.3	-158.9	0	0	0	0	0	115.7	Q533	Q533-A602 HydrophobicContact CG-CB 3.67Å
603	G	51.6	Low	79.6	Confident	21 Å²	21	24.1 Å²	24.1	22%	0.216	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.3	-175.5	0	0	0	0	0	116.2	D355	D355-G603 WeakPolarHBondContact OD2-CA 3.17Å
604	N	56.3	Low	80	Confident	32 Å²	32	20.4 Å²	20.4	17%	0.171	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	61.2	174	-35.6	-89.2	0	0	0	114.3	D606 F766 K795 L796 E797	N604-D606 PolarHBondContact O-N 3.36Å; N604-F766 HydrophobicContact CB-CD1 4.38Å; N604-F766 HydrophobicContact CB-CE1 4.26Å; N604-K795 HydrophobicContact CB-CB 4.34Å; N604-K795 HydrophobicContact CB-CD 4.04Å; N604-L796 PolarHBondContact ND2-O 3.09Å; N604-E797 WeakPolarHBondContact CB-OE1 3.44Å; N604-E797 WeakPolarHBondContact CB-OE2 3.49Å; N604-E797 PolarHBondContact N-OE2 3.26Å; N604-E797 PolarHBondContact ND2-OE2 3.03Å
605	Q	62.2	Low	80.2	Confident	30 Å²	30	20.4 Å²	20.4	14%	0.14	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-66	29.3	157.6	-61.9	-166.5	-34.1	0	0	113	S531 W607 Y608	S531-Q605 PolarHBondContact O-NE2 3.4Å; Q605-W607 PolarHBondContact O-N 3.26Å; Q605-Y608 HydrophobicContact CB-CD2 4.23Å; Q605-Y608 HydrophobicContact CB-CE2 3.73Å; Q605-Y608 HydrophobicContact CG-CE2 4.47Å; Q605-Y608 WeakPolarHBondContact O-CD2 3.38Å; Q605-Y608 WeakPolarHBondContact O-CE2 3.24Å
606	D	73.5	Confident	80.4	Confident	57 Å²	57	19.6 Å²	19.6	31%	0.305	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-72.8	0.3	-178.9	-64.6	-52.4	0	0	0	112.6	N604 Y608 S609 Y610 F766 K795	N604-D606 PolarHBondContact O-N 3.36Å; D606-Y608 PolarHBondContact O-N 3.36Å; D606-S609 WeakPolarHBondContact O-CB 3.41Å; D606-S609 PolarHBondContact O-N 3.37Å; D606-S609 PolarHBondContact O-OG 3.27Å; D606-Y610 HydrophobicContact CB-CE2 4.13Å; D606-Y610 WeakPolarHBondContact O-CD2 3.2Å; D606-Y610 WeakPolarHBondContact O-CE2 3.03Å; D606-F766 HydrophobicContact CB-CE1 4.06Å; D606-F766 HydrophobicContact CB-CZ 4.2Å; D606-K795 HydrophobicContact CB-CD 4.15Å; D606-K795 VanDerWaalsContact CB-NZ 3.27Å; D606-K795 IonicContact OD1-NZ 3.91Å; D606-K795 IonicContact OD2-NZ 2.94Å; D606-K795 PolarHBondContact OD2-NZ 3.45Å
607	W	83	Confident	80.5	Confident	4 Å²	4	19.5 Å²	19.5	2%	0.015	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28.1	175.7	64.4	-100.5	0	0	0	112.1	Q605 S609 Y610 C613 M615 A632 V644 C646 F766	Q605-W607 PolarHBondContact O-N 3.26Å; W607-S609 PolarHBondContact O-N 3.21Å; W607-Y610 PolarHBondContact O-N 3.01Å; W607-C613 HydrophobicContact CB-CB 4.46Å; W607-C613 PolarHBondContact O-SG 3.18Å; W607-M615 HydrophobicContact CB-CE 3.6Å; W607-M615 HydrophobicContact CD2-CE 4.19Å; W607-M615 HydrophobicContact CG-CE 3.64Å; W607-A632 HydrophobicContact CE3-CB 4.41Å; W607-A632 HydrophobicContact CH2-CB 3.37Å; W607-A632 HydrophobicContact CZ2-CB 3.68Å; W607-A632 HydrophobicContact CZ3-CB 3.78Å; W607-V644 HydrophobicContact CZ3-CG1 4.24Å; W607-C646 HydrophobicContact CE3-CB 4.26Å; W607-C646 HydrophobicContact CZ3-CB 4.47Å; W607-F766 HydrophobicContact CB-CE2 3.86Å; W607-F766 HydrophobicContact CB-CZ 3.96Å
608	Y	82.6	Confident	80.4	Confident	60 Å²	60	19.5 Å²	19.5	24%	0.235	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-63.8	-23.9	173.2	-51.3	-82.6	0	0	0	112.9	Q605 D606 D631 T635 V644 I645	Q605-Y608 HydrophobicContact CB-CD2 4.23Å; Q605-Y608 HydrophobicContact CB-CE2 3.73Å; Q605-Y608 HydrophobicContact CG-CE2 4.47Å; Q605-Y608 WeakPolarHBondContact O-CD2 3.38Å; Q605-Y608 WeakPolarHBondContact O-CE2 3.24Å; D606-Y608 PolarHBondContact O-N 3.36Å; Y608-D631 PolarHBondContact OH-OD2 3.38Å; Y608-T635 HydrophobicContact CE1-CG2 4.42Å; Y608-V644 HydrophobicContact CD1-CG1 4.13Å; Y608-V644 HydrophobicContact CD1-CG2 3.8Å; Y608-V644 HydrophobicContact CE1-CG2 4.45Å; Y608-I645 WeakPolarHBondContact O-CB 3.3Å; Y608-I645 PolarHBondContact O-N 2.96Å
609	S	82.2	Confident	80.1	Confident	52 Å²	52	20 Å²	20	36%	0.364	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-86.5	-11.5	-174.9	76.3	0	0	0	0	114.5	D606 W607	D606-S609 WeakPolarHBondContact O-CB 3.41Å; D606-S609 PolarHBondContact O-N 3.37Å; D606-S609 PolarHBondContact O-OG 3.27Å; W607-S609 PolarHBondContact O-N 3.21Å
610	Y	88.4	Confident	79.7	Confident	15 Å²	15	22.9 Å²	22.9	6%	0.059	13%	0.129	C	C	.	.			trans	-111	138	179.3	-58.1	-88.1	0	0	0	110.4	D606 W607 V612 C646 R762 F766 V793 K795	D606-Y610 HydrophobicContact CB-CE2 4.13Å; D606-Y610 WeakPolarHBondContact O-CD2 3.2Å; D606-Y610 WeakPolarHBondContact O-CE2 3.03Å; W607-Y610 PolarHBondContact O-N 3.01Å; Y610-V612 VanDerWaalsContact C-N 3.25Å; Y610-V612 PolarHBondContact O-N 3.44Å; Y610-C646 WeakPolarHBondContact O-CA 3.34Å; Y610-C646 WeakPolarHBondContact O-CB 3.48Å; Y610-R762 HydrophobicContact CD1-CB 4.43Å; Y610-R762 HydrophobicContact CE1-CB 4.48Å; Y610-F766 HydrophobicContact CD2-CE2 4.24Å; Y610-F766 AromaticContact CD2-CZ 3.85Å; Y610-F766 HydrophobicContact CD2-CZ 3.85Å; Y610-F766 AromaticContact CE2-CZ 3.81Å; Y610-F766 HydrophobicContact CE2-CZ 3.81Å; Y610-V793 HydrophobicContact CE1-CB 4.08Å; Y610-V793 HydrophobicContact CE1-CG2 4.13Å; Y610-V793 WeakPolarHBondContact OH-CG1 3.35Å; Y610-K795 WeakPolarHBondContact OH-CE 3.07Å
611	E	89.9	Confident	79.6	Confident	71 Å²	71	23 Å²	23	33%	0.332	13%	0.133	S	C	.	.	S	Bend	trans	-63.8	-33.7	174.6	-71.4	-174.3	-110.9	0	0	112.2	I645 K647 K648 L760	E611-I645 HydrophobicContact CB-CG2 4.34Å; E611-I645 HydrophobicContact CG-CG2 3.36Å; E611-K647 PolarHBondContact O-N 3.41Å; E611-K647 IonicContact OE2-NZ 2.85Å; E611-K647 PolarHBondContact OE2-NZ 2.84Å; E611-K648 PolarHBondContact O-N 3.49Å; E611-L760 HydrophobicContact CB-CD1 4.16Å; E611-L760 HydrophobicContact CB-CD2 3.93Å; E611-L760 VanDerWaalsContact CD-CD2 3.48Å; E611-L760 HydrophobicContact CG-CD2 4.25Å; E611-L760 WeakPolarHBondContact OE1-CD2 3.33Å
612	V	92.3	Very high	80.3	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.9	178.2	176.2	0	0	0	0	109.7	Y610 K648 Y650 V753 L760 I763 G764	Y610-V612 VanDerWaalsContact C-N 3.25Å; Y610-V612 PolarHBondContact O-N 3.44Å; V612-K648 WeakPolarHBondContact CA-O 3.3Å; V612-K648 HydrophobicContact CG2-CB 4.25Å; V612-Y650 HydrophobicContact CG1-CD2 3.86Å; V612-Y650 HydrophobicContact CG1-CE2 3.7Å; V612-V753 HydrophobicContact CG1-CG1 4.25Å; V612-L760 HydrophobicContact CB-CD1 3.78Å; V612-L760 HydrophobicContact CG2-CD1 3.31Å; V612-I763 HydrophobicContact CG1-CG2 4.22Å; V612-G764 PolarHBondContact O-N 3.33Å; V612-G764 VanDerWaalsContact O-N 3.09Å
613	C	92.3	Very high	81.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.8	-178.9	-64.4	0	0	0	0	110.7	W607 K648 I649 Y650 G764 F766	W607-C613 HydrophobicContact CB-CB 4.46Å; W607-C613 PolarHBondContact O-SG 3.18Å; C613-K648 PolarHBondContact N-O 3.29Å; C613-K648 VanDerWaalsContact N-O 3.12Å; C613-I649 WeakPolarHBondContact O-CA 3.3Å; C613-Y650 PolarHBondContact O-N 3.11Å; C613-G764 CarbonylContact C-O 3.5Å; C613-G764 WeakPolarHBondContact CA-O 3.46Å; C613-F766 HydrophobicContact CB-CD2 4.37Å; C613-F766 HydrophobicContact CB-CE2 4.07Å
614	I	93.5	Very high	83.3	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115	167.3	-51.3	179.2	0	0	0	107.2	I616 Y650 V652 F750 V753 I763 G764 V765 F766 F792	I614-I616 HydrophobicContact CG2-CD1 4.22Å; I614-I616 HydrophobicContact CG2-CG1 3.91Å; I614-Y650 CarbonylContact C-O 3.47Å; I614-Y650 WeakPolarHBondContact CA-O 3.37Å; I614-V652 HydrophobicContact CG2-CG2 4.22Å; I614-F750 HydrophobicContact CD1-CD1 3.67Å; I614-F750 HydrophobicContact CD1-CE1 3.89Å; I614-F750 HydrophobicContact CD1-CG 4.44Å; I614-F750 HydrophobicContact CG2-CE1 4.12Å; I614-V753 HydrophobicContact CD1-CB 4.21Å; I614-V753 HydrophobicContact CD1-CG1 4.08Å; I614-V753 HydrophobicContact CD1-CG2 4.08Å; I614-V753 HydrophobicContact CG1-CG1 4.43Å; I614-I763 HydrophobicContact CD1-CG2 4.3Å; I614-I763 HydrophobicContact CG1-CG2 4.19Å; I614-G764 PolarHBondContact N-O 2.88Å; I614-V765 HydrophobicContact CB-CG1 4.4Å; I614-V765 HydrophobicContact CB-CG2 4.31Å; I614-V765 HydrophobicContact CD1-CG2 4.24Å; I614-V765 CarbonylContact O-C 3.55Å; I614-V765 WeakPolarHBondContact O-CA 3.34Å; I614-F766 PolarHBondContact O-N 3.48Å; I614-F792 HydrophobicContact CD1-CD1 4.47Å; I614-F792 HydrophobicContact CD1-CE1 4.04Å
615	M	93	Very high	85	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.4	178.9	-69.6	-177.1	-179.1	0	0	108.9	W607 Y625 V628 L629 I649 Y650 F651 V652 F766	W607-M615 HydrophobicContact CB-CE 3.6Å; W607-M615 HydrophobicContact CD2-CE 4.19Å; W607-M615 HydrophobicContact CG-CE 3.64Å; M615-Y625 HydrophobicContact CB-CD1 4.14Å; M615-Y625 HydrophobicContact CB-CE1 3.64Å; M615-Y625 HydrophobicContact CG-CD1 4.34Å; M615-Y625 HydrophobicContact CG-CE1 3.75Å; M615-Y625 HydrophobicContact SD-CD1 3.84Å; M615-Y625 HydrophobicContact SD-CE1 3.78Å; M615-V628 HydrophobicContact CE-CG1 3.91Å; M615-V628 HydrophobicContact SD-CG1 4.25Å; M615-L629 HydrophobicContact SD-CD2 4.06Å; M615-I649 HydrophobicContact CE-CD1 4.29Å; M615-I649 HydrophobicContact CE-CG2 4.27Å; M615-I649 HydrophobicContact CG-CG2 4.22Å; M615-I649 HydrophobicContact SD-CG2 3.85Å; M615-Y650 PolarHBondContact N-O 3.06Å; M615-F651 HydrophobicContact CB-CD2 3.84Å; M615-F651 CarbonylContact O-C 3.47Å; M615-F651 WeakPolarHBondContact O-CA 3.4Å; M615-V652 PolarHBondContact O-N 3.28Å; M615-F766 CarbonylContact C-O 3.32Å; M615-F766 HydrophobicContact CG-CD2 4.44Å
616	I	92.4	Very high	86.3	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.9	-176.1	-53	-179.7	0	0	0	108.7	I614 V652 I654 L746 F750 V765 F766 S767 C768 V777	I614-I616 HydrophobicContact CG2-CD1 4.22Å; I614-I616 HydrophobicContact CG2-CG1 3.91Å; I616-V652 CarbonylContact C-O 3.51Å; I616-V652 VanDerWaalsContact CA-O 3.32Å; I616-V652 WeakPolarHBondContact CA-O 3.18Å; I616-V652 HydrophobicContact CG1-CB 4.15Å; I616-V652 HydrophobicContact CG1-CG2 4.49Å; I616-V652 HydrophobicContact CG2-CB 4.5Å; I616-V652 HydrophobicContact CG2-CG1 4.46Å; I616-I654 HydrophobicContact CG2-CD1 3.91Å; I616-L746 HydrophobicContact CD1-CD2 4.13Å; I616-F750 HydrophobicContact CD1-CE1 3.93Å; I616-F750 HydrophobicContact CD1-CZ 3.71Å; I616-V765 HydrophobicContact CD1-CG1 4.11Å; I616-F766 PolarHBondContact N-O 3.46Å; I616-S767 CarbonylContact O-C 3.53Å; I616-S767 VanDerWaalsContact O-CA 3.31Å; I616-S767 WeakPolarHBondContact O-CA 3.41Å; I616-C768 PolarHBondContact O-N 3.19Å; I616-V777 HydrophobicContact CD1-CB 4.49Å; I616-V777 HydrophobicContact CD1-CG1 3.96Å; I616-V777 HydrophobicContact CD1-CG2 3.63Å; I616-V777 HydrophobicContact CG2-CG2 4.33Å
617	A	90.4	Very high	87.1	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.8	176.6	0	0	0	0	0	110.3	V622 Y625 F651 V652 W653 I654 C768	A617-V622 HydrophobicContact CB-CB 4.01Å; A617-V622 HydrophobicContact CB-CG2 3.85Å; A617-Y625 HydrophobicContact CB-CD2 3.54Å; A617-Y625 HydrophobicContact CB-CE2 3.8Å; A617-Y625 HydrophobicContact CB-CG 4.48Å; A617-F651 HydrophobicContact CB-CE2 3.89Å; A617-F651 HydrophobicContact CB-CZ 3.87Å; A617-V652 PolarHBondContact N-O 3.27Å; A617-W653 CarbonylContact O-C 3.52Å; A617-W653 WeakPolarHBondContact O-CA 3.47Å; A617-I654 PolarHBondContact O-N 3.3Å; A617-C768 CarbonylContact C-O 3.51Å; A617-C768 WeakPolarHBondContact CA-O 3.27Å
618	A	83.4	Confident	87.4	Confident	5 Å²	5	15.8 Å²	15.8	4%	0.041	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.4	172.5	0	0	0	0	0	112.7	I620 G621 I654 C768 G769 V773	A618-I620 PolarHBondContact O-N 3.37Å; A618-G621 PolarHBondContact O-N 3.45Å; A618-I654 VanDerWaalsContact CA-O 3.28Å; A618-I654 WeakPolarHBondContact CA-O 3.41Å; A618-I654 HydrophobicContact CB-CB 4Å; A618-C768 PolarHBondContact N-O 2.9Å; A618-G769 WeakPolarHBondContact O-CA 3.41Å; A618-V773 HydrophobicContact CB-CB 4.37Å; A618-V773 HydrophobicContact CB-CG1 4.14Å; A618-V773 HydrophobicContact CB-CG2 4.09Å
619	G	76	Confident	87.8	Confident	12 Å²	12	13 Å²	13	12%	0.124	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	57.7	-132	-178.8	0	0	0	0	0	112.9	G621 V622 I654 Y661	G619-G621 PolarHBondContact O-N 3.16Å; G619-V622 WeakPolarHBondContact O-CB 3.26Å; G619-V622 VanDerWaalsContact O-CG1 3.28Å; G619-V622 WeakPolarHBondContact O-CG1 3.5Å; G619-V622 PolarHBondContact O-N 2.87Å; G619-I654 PolarHBondContact N-O 3.49Å; G619-I654 VanDerWaalsContact N-O 3.12Å; G619-Y661 VanDerWaalsContact C-CZ 3.47Å; G619-Y661 VanDerWaalsContact C-OH 3.23Å; G619-Y661 VanDerWaalsContact CA-OH 3.31Å; G619-Y661 WeakPolarHBondContact CA-OH 3.35Å
620	I	76.8	Confident	88.1	Confident	85 Å²	85	11 Å²	11	44%	0.436	6%	0.061	S	C	.	.	G	3₁₀ helix	trans	-67.4	-18.4	-179.5	-163.9	61.1	0	0	0	113.5	K568 A618 V622 T623 Y661	K568-I620 HydrophobicContact CB-CD1 4.07Å; K568-I620 HydrophobicContact CD-CD1 4.29Å; A618-I620 PolarHBondContact O-N 3.37Å; I620-V622 PolarHBondContact O-N 3.4Å; I620-T623 PolarHBondContact O-N 2.89Å; I620-T623 VanDerWaalsContact O-N 3.15Å; I620-T623 PolarHBondContact O-OG1 2.8Å; I620-Y661 HydrophobicContact CD1-CE1 4.48Å; I620-Y661 PolarHBondContact N-OH 2.88Å
621	G	79	Confident	88.2	Confident	8 Å²	8	11.3 Å²	11.3	8%	0.082	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-63.8	-2.6	175.3	0	0	0	0	0	114.1	A618 G619 P624 Y625 C768	A618-G621 PolarHBondContact O-N 3.45Å; G619-G621 PolarHBondContact O-N 3.16Å; G621-P624 WeakPolarHBondContact O-CD 3.43Å; G621-P624 VanDerWaalsContact O-CG 3.29Å; G621-P624 WeakPolarHBondContact O-CG 3.13Å; G621-Y625 WeakPolarHBondContact O-CD2 3.38Å; G621-C768 VanDerWaalsContact CA-SG 3.53Å; G621-C768 WeakPolarHBondContact O-CB 3.17Å
622	V	87.4	Confident	88.1	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-74.8	-26.6	172.9	79.1	0	0	0	0	113.7	A617 G619 I620 Y625 A626 F651 W653 Y661 W663 F664	A617-V622 HydrophobicContact CB-CB 4.01Å; A617-V622 HydrophobicContact CB-CG2 3.85Å; G619-V622 WeakPolarHBondContact O-CB 3.26Å; G619-V622 VanDerWaalsContact O-CG1 3.28Å; G619-V622 WeakPolarHBondContact O-CG1 3.5Å; G619-V622 PolarHBondContact O-N 2.87Å; I620-V622 PolarHBondContact O-N 3.4Å; V622-Y625 WeakPolarHBondContact O-CA 3.46Å; V622-Y625 WeakPolarHBondContact O-CB 3.3Å; V622-Y625 PolarHBondContact O-N 3.18Å; V622-A626 PolarHBondContact O-N 3.31Å; V622-F651 HydrophobicContact CG2-CZ 4.11Å; V622-W653 HydrophobicContact CG2-CG 4.29Å; V622-Y661 HydrophobicContact CG1-CD1 4.07Å; V622-Y661 HydrophobicContact CG1-CE1 4.42Å; V622-W663 HydrophobicContact CG1-CZ2 4.36Å; V622-F664 HydrophobicContact CG1-CD2 4.35Å; V622-F664 HydrophobicContact CG1-CG 4.28Å; V622-F664 HydrophobicContact CG2-CD1 3.46Å; V622-F664 VanDerWaalsContact CG2-CD1 3.46Å; V622-F664 HydrophobicContact CG2-CD2 3.88Å; V622-F664 HydrophobicContact CG2-CE1 3.15Å; V622-F664 HydrophobicContact CG2-CE2 3.62Å; V622-F664 HydrophobicContact CG2-CG 3.83Å; V622-F664 HydrophobicContact CG2-CZ 3.26Å
623	T	87.9	Confident	87.9	Confident	6 Å²	6	7.8 Å²	7.8	4%	0.037	5%	0.046	C	C	.	.	H	α-helix	trans	-51.7	-49.5	-176.8	-44	0	0	0	0	115.3	I620 Y625 A626 W663	I620-T623 PolarHBondContact O-N 2.89Å; I620-T623 VanDerWaalsContact O-N 3.15Å; I620-T623 PolarHBondContact O-OG1 2.8Å; T623-Y625 VanDerWaalsContact C-N 3.28Å; T623-Y625 PolarHBondContact O-N 3.49Å; T623-A626 VanDerWaalsContact O-CB 3.24Å; T623-A626 WeakPolarHBondContact O-CB 3.48Å; T623-A626 PolarHBondContact O-N 3.05Å; T623-W663 HydrophobicContact CG2-CH2 4.17Å
624	P	87.8	Confident	87.6	Confident	2 Å²	2	11 Å²	11	1%	0.013	6%	0.058	C	C	.	.	H	α-helix	trans	-56.9	-39.3	173.5	20.3	-35.9	0	0	0	113.6	T553 G621 A626 S627 V628 F799	T553-P624 HydrophobicContact CG2-CB 3.84Å; G621-P624 WeakPolarHBondContact O-CD 3.43Å; G621-P624 VanDerWaalsContact O-CG 3.29Å; G621-P624 WeakPolarHBondContact O-CG 3.13Å; P624-A626 PolarHBondContact O-N 2.82Å; P624-S627 PolarHBondContact O-N 3.48Å; P624-S627 PolarHBondContact O-OG 3.33Å; P624-V628 WeakPolarHBondContact O-CG2 3.39Å; P624-V628 PolarHBondContact O-N 3.28Å; P624-F799 HydrophobicContact CB-CB 3.79Å; P624-F799 HydrophobicContact CB-CD1 3.62Å; P624-F799 HydrophobicContact CB-CD2 3.31Å; P624-F799 HydrophobicContact CB-CE1 3.91Å; P624-F799 HydrophobicContact CB-CE2 3.56Å; P624-F799 HydrophobicContact CB-CG 3.3Å; P624-F799 HydrophobicContact CB-CZ 3.89Å; P624-F799 HydrophobicContact CG-CB 3.64Å; P624-F799 HydrophobicContact CG-CD1 4.28Å; P624-F799 HydrophobicContact CG-CD2 3.12Å; P624-F799 HydrophobicContact CG-CE2 3.68Å; P624-F799 HydrophobicContact CG-CG 3.44Å; P624-F799 VanDerWaalsContact CG-CG 3.44Å; P624-F799 HydrophobicContact CG-CZ 4.49Å
625	Y	90.2	Very high	87.2	Confident	3 Å²	3	12.3 Å²	12.3	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-19.9	-178.3	-70.5	-69.1	0	0	0	113	M615 A617 G621 V622 T623 S627 V628 L629 F651 F766 C768	M615-Y625 HydrophobicContact CB-CD1 4.14Å; M615-Y625 HydrophobicContact CB-CE1 3.64Å; M615-Y625 HydrophobicContact CG-CD1 4.34Å; M615-Y625 HydrophobicContact CG-CE1 3.75Å; M615-Y625 HydrophobicContact SD-CD1 3.84Å; M615-Y625 HydrophobicContact SD-CE1 3.78Å; A617-Y625 HydrophobicContact CB-CD2 3.54Å; A617-Y625 HydrophobicContact CB-CE2 3.8Å; A617-Y625 HydrophobicContact CB-CG 4.48Å; G621-Y625 WeakPolarHBondContact O-CD2 3.38Å; V622-Y625 WeakPolarHBondContact O-CA 3.46Å; V622-Y625 WeakPolarHBondContact O-CB 3.3Å; V622-Y625 PolarHBondContact O-N 3.18Å; T623-Y625 VanDerWaalsContact C-N 3.28Å; T623-Y625 PolarHBondContact O-N 3.49Å; Y625-S627 PolarHBondContact O-N 3.24Å; Y625-V628 PolarHBondContact O-N 3.47Å; Y625-L629 VanDerWaalsContact O-CB 3.25Å; Y625-L629 WeakPolarHBondContact O-CB 3.3Å; Y625-L629 WeakPolarHBondContact O-CG 3.37Å; Y625-L629 PolarHBondContact O-N 2.88Å; Y625-F651 HydrophobicContact CD1-CE2 4.2Å; Y625-F651 HydrophobicContact CD2-CE2 4.16Å; Y625-F651 AromaticContact CG-CE2 3.79Å; Y625-F651 HydrophobicContact CG-CE2 3.79Å; Y625-F766 PolarHBondContact OH-O 3.45Å; Y625-C768 HydrophobicContact CE2-CB 3.74Å
626	A	89.4	Confident	86.7	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-56	-52.1	171.4	0	0	0	0	0	111.9	A555 V622 T623 P624 L630 W663 F664 I667	A555-A626 HydrophobicContact CB-CB 4.05Å; V622-A626 PolarHBondContact O-N 3.31Å; T623-A626 VanDerWaalsContact O-CB 3.24Å; T623-A626 WeakPolarHBondContact O-CB 3.48Å; T623-A626 PolarHBondContact O-N 3.05Å; P624-A626 PolarHBondContact O-N 2.82Å; A626-L630 WeakPolarHBondContact O-CG 3.37Å; A626-W663 HydrophobicContact CB-CZ3 4.36Å; A626-F664 HydrophobicContact CB-CD2 4.29Å; A626-F664 HydrophobicContact CB-CE2 3.92Å; A626-I667 HydrophobicContact CB-CD1 3.55Å; A626-I667 HydrophobicContact CB-CG2 4Å
627	S	90.6	Very high	86.2	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.3	-39.9	178	67.1	0	0	0	0	112	G532 L554 S556 P624 Y625 D631	G532-S627 PolarHBondContact N-OG 3.04Å; L554-S627 PolarHBondContact O-OG 2.99Å; S556-S627 WeakPolarHBondContact O-CB 3.4Å; P624-S627 PolarHBondContact O-N 3.48Å; P624-S627 PolarHBondContact O-OG 3.33Å; Y625-S627 PolarHBondContact O-N 3.24Å; S627-D631 WeakPolarHBondContact O-CB 3.37Å; S627-D631 PolarHBondContact O-N 3.2Å
628	V	89.7	Confident	85.6	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-67.8	-42.3	-176.1	174.1	0	0	0	0	111.9	M615 P624 Y625 A632	M615-V628 HydrophobicContact CE-CG1 3.91Å; M615-V628 HydrophobicContact SD-CG1 4.25Å; P624-V628 WeakPolarHBondContact O-CG2 3.39Å; P624-V628 PolarHBondContact O-N 3.28Å; Y625-V628 PolarHBondContact O-N 3.47Å; V628-A632 WeakPolarHBondContact O-CB 3.32Å; V628-A632 PolarHBondContact O-N 3.34Å
629	L	90.8	Very high	84.6	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-47.4	-179.2	-71.2	173.8	0	0	0	111.6	M615 Y625 A632 V633 I649 F651 F664 L668 L680	M615-L629 HydrophobicContact SD-CD2 4.06Å; Y625-L629 VanDerWaalsContact O-CB 3.25Å; Y625-L629 WeakPolarHBondContact O-CB 3.3Å; Y625-L629 WeakPolarHBondContact O-CG 3.37Å; Y625-L629 PolarHBondContact O-N 2.88Å; L629-A632 PolarHBondContact O-N 3.19Å; L629-V633 WeakPolarHBondContact O-CG2 3.28Å; L629-V633 PolarHBondContact O-N 2.99Å; L629-I649 HydrophobicContact CD2-CG2 4.37Å; L629-F651 HydrophobicContact CD1-CD1 3.93Å; L629-F651 HydrophobicContact CD1-CD2 3.82Å; L629-F651 HydrophobicContact CD1-CE1 3.97Å; L629-F651 HydrophobicContact CD1-CE2 3.86Å; L629-F651 HydrophobicContact CD1-CG 3.86Å; L629-F651 HydrophobicContact CD1-CZ 3.93Å; L629-F651 HydrophobicContact CD2-CB 4.23Å; L629-F651 HydrophobicContact CD2-CD2 3.99Å; L629-F651 HydrophobicContact CD2-CG 4.14Å; L629-F651 HydrophobicContact CG-CD2 4.32Å; L629-F664 HydrophobicContact CD1-CZ 4.23Å; L629-L668 HydrophobicContact CD1-CD2 3.85Å; L629-L680 HydrophobicContact CD2-CD1 3.81Å
630	L	89.3	Confident	83.6	Confident	11 Å²	11	30.9 Å²	30.9	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-48.2	177.7	-71.1	173.7	0	0	0	111.2	T557 A626 A632 V633 R634 I667 A670 A671	T557-L630 HydrophobicContact CG2-CB 3.36Å; T557-L630 HydrophobicContact CG2-CD1 4.07Å; T557-L630 HydrophobicContact CG2-CG 4.38Å; A626-L630 WeakPolarHBondContact O-CG 3.37Å; L630-A632 VanDerWaalsContact C-N 3.31Å; L630-A632 PolarHBondContact O-N 3.39Å; L630-V633 PolarHBondContact O-N 2.93Å; L630-R634 VanDerWaalsContact O-CG 3.32Å; L630-R634 WeakPolarHBondContact O-CG 3.3Å; L630-R634 PolarHBondContact O-N 2.9Å; L630-I667 HydrophobicContact CD1-CG2 3.98Å; L630-I667 HydrophobicContact CG-CG2 4.16Å; L630-A670 HydrophobicContact CD2-CB 4.04Å; L630-A671 HydrophobicContact CD2-CB 4.02Å
631	D	89	Confident	82.5	Confident	20 Å²	20	35.8 Å²	35.8	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-37.6	177.2	-178.4	44.2	0	0	0	112.4	S531 T557 Y608 S627 T635	S531-D631 WeakPolarHBondContact CB-OD2 3.4Å; S531-D631 WeakPolarHBondContact OG-CB 3.38Å; S531-D631 PolarHBondContact OG-OD2 3.23Å; T557-D631 HydrophobicContact CG2-CB 4.36Å; Y608-D631 PolarHBondContact OH-OD2 3.38Å; S627-D631 WeakPolarHBondContact O-CB 3.37Å; S627-D631 PolarHBondContact O-N 3.2Å; D631-T635 VanDerWaalsContact O-CB 3.25Å; D631-T635 WeakPolarHBondContact O-CB 3.39Å; D631-T635 PolarHBondContact O-N 3.42Å; D631-T635 PolarHBondContact O-OG1 2.92Å; D631-T635 PolarHBondContact OD1-OG1 3.38Å
632	A	88.6	Confident	81.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-48.1	176.9	0	0	0	0	0	112.4	W607 V628 L629 L630 R634 T635 M636 I649	W607-A632 HydrophobicContact CE3-CB 4.41Å; W607-A632 HydrophobicContact CH2-CB 3.37Å; W607-A632 HydrophobicContact CZ2-CB 3.68Å; W607-A632 HydrophobicContact CZ3-CB 3.78Å; V628-A632 WeakPolarHBondContact O-CB 3.32Å; V628-A632 PolarHBondContact O-N 3.34Å; L629-A632 PolarHBondContact O-N 3.19Å; L630-A632 VanDerWaalsContact C-N 3.31Å; L630-A632 PolarHBondContact O-N 3.39Å; A632-R634 VanDerWaalsContact C-N 3.34Å; A632-R634 PolarHBondContact O-N 3.49Å; A632-T635 PolarHBondContact O-N 2.94Å; A632-M636 HydrophobicContact CB-CE 4.2Å; A632-M636 VanDerWaalsContact O-CB 3.32Å; A632-M636 WeakPolarHBondContact O-CB 3.44Å; A632-M636 WeakPolarHBondContact O-CE 3.35Å; A632-M636 WeakPolarHBondContact O-CG 3.48Å; A632-M636 PolarHBondContact O-N 2.87Å; A632-I649 HydrophobicContact CB-CD1 3.71Å
633	V	88.4	Confident	80.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-45.4	177.8	173.2	0	0	0	0	110.5	L629 L630 H637 E674 D675 L680	L629-V633 WeakPolarHBondContact O-CG2 3.28Å; L629-V633 PolarHBondContact O-N 2.99Å; L630-V633 PolarHBondContact O-N 2.93Å; V633-H637 WeakPolarHBondContact O-CB 3.47Å; V633-H637 PolarHBondContact O-N 3.46Å; V633-E674 HydrophobicContact CG1-CB 3.75Å; V633-D675 HydrophobicContact CG1-CB 4.03Å; V633-D675 HydrophobicContact CG2-CB 4.47Å; V633-L680 HydrophobicContact CG2-CD2 4.17Å
634	R	87	Confident	79.9	Confident	66 Å²	66	44.7 Å²	44.7	25%	0.249	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177.5	-70.8	178.3	-174.7	167.4	9.4	112.7	T557 D559 L630 A632 H637 S638 E674	T557-R634 PolarHBondContact OG1-NH1 2.85Å; D559-R634 IonicContact OD1-NH1 2.87Å; D559-R634 PolarHBondContact OD1-NH1 2.64Å; D559-R634 IonicContact OD2-CZ 3.45Å; D559-R634 IonicContact OD2-NE 2.79Å; D559-R634 IonicContact OD2-NH1 3.77Å; D559-R634 PolarHBondContact OD2-NH1 2.78Å; L630-R634 VanDerWaalsContact O-CG 3.32Å; L630-R634 WeakPolarHBondContact O-CG 3.3Å; L630-R634 PolarHBondContact O-N 2.9Å; A632-R634 VanDerWaalsContact C-N 3.34Å; A632-R634 PolarHBondContact O-N 3.49Å; R634-H637 PolarHBondContact O-N 3.17Å; R634-S638 PolarHBondContact O-N 3.17Å; R634-E674 WeakPolarHBondContact CG-OE2 3.45Å; R634-E674 IonicContact CZ-OE1 3.28Å; R634-E674 IonicContact CZ-OE2 3.7Å; R634-E674 IonicContact NE-OE1 2.95Å; R634-E674 PolarHBondContact NE-OE1 3.28Å; R634-E674 IonicContact NE-OE2 2.96Å; R634-E674 PolarHBondContact NE-OE2 3.13Å; R634-E674 IonicContact NH2-OE1 3.81Å; R634-E674 PolarHBondContact NH2-OE1 3.32Å; R634-E674 IonicContact NH2-OE2 3.88Å
635	T	84.1	Confident	79.7	Confident	30 Å²	30	48.8 Å²	48.8	18%	0.184	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-43.2	-178.5	-59.1	0	0	0	0	111.4	Y608 D631 A632 H637 S638 S639 V644	Y608-T635 HydrophobicContact CE1-CG2 4.42Å; D631-T635 VanDerWaalsContact O-CB 3.25Å; D631-T635 WeakPolarHBondContact O-CB 3.39Å; D631-T635 PolarHBondContact O-N 3.42Å; D631-T635 PolarHBondContact O-OG1 2.92Å; D631-T635 PolarHBondContact OD1-OG1 3.38Å; A632-T635 PolarHBondContact O-N 2.94Å; T635-H637 VanDerWaalsContact C-N 3.32Å; T635-H637 PolarHBondContact O-N 3.13Å; T635-S638 PolarHBondContact O-N 3.25Å; T635-S639 PolarHBondContact O-N 2.89Å; T635-V644 HydrophobicContact CG2-CG2 3.59Å
636	M	82	Confident	79.5	Confident	5 Å²	5	49 Å²	49	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-31.7	176.9	-69.1	-175.1	-66.4	0	0	112.3	A632 S639 V644 C646 I649 R677 M679	A632-M636 HydrophobicContact CB-CE 4.2Å; A632-M636 VanDerWaalsContact O-CB 3.32Å; A632-M636 WeakPolarHBondContact O-CB 3.44Å; A632-M636 WeakPolarHBondContact O-CE 3.35Å; A632-M636 WeakPolarHBondContact O-CG 3.48Å; A632-M636 PolarHBondContact O-N 2.87Å; M636-S639 WeakPolarHBondContact O-CB 3.33Å; M636-S639 PolarHBondContact O-OG 3.22Å; M636-S639 VanDerWaalsContact O-OG 3.09Å; M636-V644 HydrophobicContact CG-CG1 4.27Å; M636-C646 HydrophobicContact SD-CB 4.35Å; M636-I649 HydrophobicContact CE-CD1 3.56Å; M636-I649 HydrophobicContact CE-CG1 4.22Å; M636-I649 HydrophobicContact SD-CD1 4.19Å; M636-R677 PolarHBondContact O-NH1 3.04Å; M636-R677 VanDerWaalsContact O-NH1 3.16Å; M636-M679 HydrophobicContact CB-CE 3.72Å; M636-M679 HydrophobicContact CB-SD 3.53Å; M636-M679 VanDerWaalsContact CB-SD 3.53Å; M636-M679 HydrophobicContact CE-CB 3.96Å; M636-M679 HydrophobicContact CE-CE 4.16Å; M636-M679 HydrophobicContact CE-SD 4.26Å; M636-M679 HydrophobicContact CG-SD 4.39Å; M636-M679 HydrophobicContact SD-CB 4.37Å; M636-M679 HydrophobicContact SD-SD 4.12Å
637	H	81.3	Confident	79.4	Confident	83 Å²	83	55.5 Å²	55.5	38%	0.384	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-40.1	174.7	-172.1	-90.5	0	0	0	111.8	V633 R634 T635 S639 R677	V633-H637 WeakPolarHBondContact O-CB 3.47Å; V633-H637 PolarHBondContact O-N 3.46Å; R634-H637 PolarHBondContact O-N 3.17Å; T635-H637 VanDerWaalsContact C-N 3.32Å; T635-H637 PolarHBondContact O-N 3.13Å; H637-S639 PolarHBondContact O-N 2.97Å; H637-R677 PolarHBondContact O-NH2 3.44Å
638	S	78.6	Confident	79.4	Confident	88 Å²	88	56.8 Å²	56.8	62%	0.615	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	3.6	179.9	-167.4	0	0	0	0	114.6	R634 T635 K640	R634-S638 PolarHBondContact O-N 3.17Å; T635-S638 PolarHBondContact O-N 3.25Å; S638-K640 PolarHBondContact O-N 3.47Å
639	S	62.6	Low	79.6	Confident	47 Å²	47	56.7 Å²	56.7	33%	0.329	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	17.6	-166	74.1	0	0	0	0	117.8	T635 M636 H637 H641 R677	T635-S639 PolarHBondContact O-N 2.89Å; M636-S639 WeakPolarHBondContact O-CB 3.33Å; M636-S639 PolarHBondContact O-OG 3.22Å; M636-S639 VanDerWaalsContact O-OG 3.09Å; H637-S639 PolarHBondContact O-N 2.97Å; S639-H641 PolarHBondContact O-N 3.1Å; S639-R677 PolarHBondContact OG-NH1 2.99Å
640	K	55.5	Low	79.7	Confident	187 Å²	187	57 Å²	57	81%	0.813	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.9	169.9	-77.6	-173.5	175.7	-178.2	0	112.8	S638	S638-K640 PolarHBondContact O-N 3.47Å
641	H	53.6	Low	79.9	Confident	187 Å²	187	56.5 Å²	56.5	87%	0.866	29%	0.294	S	S	*	.	S	Bend	trans	-141.4	11.6	-174.8	-63.4	91.3	0	0	0	115.8	S639	S639-H641 PolarHBondContact O-N 3.1Å
642	S	59.6	Low	80.1	Confident	55 Å²	55	55.5 Å²	55.5	39%	0.385	29%	0.288	S	S	.	.			trans	-118.1	138.2	-175	-156.6	0	0	0	0	111.8	V644	S642-V644 PolarHBondContact O-N 2.9Å
643	P	66.9	Low	80.2	Confident	120 Å²	120	55.5 Å²	55.5	78%	0.779	29%	0.288	S	S	*	.			trans	-75.4	29.1	-173.5	33.3	-38.2	0	0	0	114.3	I645	P643-I645 PolarHBondContact O-N 3.44Å
644	V	73.3	Confident	80	Confident	27 Å²	27	56.1 Å²	56.1	16%	0.164	29%	0.291	C	S	.	.			trans	-74.7	116.8	-177.7	-178.2	0	0	0	0	110	W607 Y608 T635 M636 S642 C646	W607-V644 HydrophobicContact CZ3-CG1 4.24Å; Y608-V644 HydrophobicContact CD1-CG1 4.13Å; Y608-V644 HydrophobicContact CD1-CG2 3.8Å; Y608-V644 HydrophobicContact CE1-CG2 4.45Å; T635-V644 HydrophobicContact CG2-CG2 3.59Å; M636-V644 HydrophobicContact CG-CG1 4.27Å; S642-V644 PolarHBondContact O-N 2.9Å; V644-C646 HydrophobicContact CG1-CB 3.86Å
645	I	83	Confident	79.5	Confident	87 Å²	87	53 Å²	53	45%	0.446	28%	0.279	S	S	.	.			trans	-80.5	-23	-179.8	-60.5	172.9	0	0	0	110.8	Y608 E611 P643 K647	Y608-I645 WeakPolarHBondContact O-CB 3.3Å; Y608-I645 PolarHBondContact O-N 2.96Å; E611-I645 HydrophobicContact CB-CG2 4.34Å; E611-I645 HydrophobicContact CG-CG2 3.36Å; P643-I645 PolarHBondContact O-N 3.44Å; I645-K647 PolarHBondContact O-N 3.27Å
646	C	86.6	Confident	78.6	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.054	29%	0.286	C	S	.	.			trans	-63.5	126.5	-175.6	-160.5	0	0	0	0	112.6	W607 Y610 M636 V644	W607-C646 HydrophobicContact CE3-CB 4.26Å; W607-C646 HydrophobicContact CZ3-CB 4.47Å; Y610-C646 WeakPolarHBondContact O-CA 3.34Å; Y610-C646 WeakPolarHBondContact O-CB 3.48Å; M636-C646 HydrophobicContact SD-CB 4.35Å; V644-C646 HydrophobicContact CG1-CB 3.86Å
647	K	86.9	Confident	77.7	Confident	136 Å²	136	55.7 Å²	55.7	59%	0.591	30%	0.295	S	S	*	.			trans	-113.8	-28.5	-179.7	-66.4	172.3	-175.5	161.4	0	112.8	E611 I645	E611-K647 PolarHBondContact O-N 3.41Å; E611-K647 IonicContact OE2-NZ 2.85Å; E611-K647 PolarHBondContact OE2-NZ 2.84Å; I645-K647 PolarHBondContact O-N 3.27Å
648	K	91.5	Very high	76.9	Confident	28 Å²	28	53.7 Å²	53.7	12%	0.122	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	133.3	-176.7	-168	74.4	-179.6	161.9	0	111	E611 V612 C613 Y650 N678 M679 E681	E611-K648 PolarHBondContact O-N 3.49Å; V612-K648 WeakPolarHBondContact CA-O 3.3Å; V612-K648 HydrophobicContact CG2-CB 4.25Å; C613-K648 PolarHBondContact N-O 3.29Å; C613-K648 VanDerWaalsContact N-O 3.12Å; K648-Y650 HydrophobicContact CG-CD2 4.43Å; K648-Y650 HydrophobicContact CG-CE2 3.8Å; K648-N678 PolarHBondContact NZ-O 3.45Å; K648-N678 PolarHBondContact NZ-OD1 3.42Å; K648-M679 WeakPolarHBondContact CA-O 3.4Å; K648-M679 WeakPolarHBondContact CD-O 3.24Å; K648-E681 WeakPolarHBondContact CE-OE2 3.25Å; K648-E681 IonicContact NZ-OE2 2.72Å
649	I	92.9	Very high	76	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.7	176.5	-58.8	178.7	0	0	0	108.5	C613 M615 L629 A632 M636 M679 L680 E681	C613-I649 WeakPolarHBondContact O-CA 3.3Å; M615-I649 HydrophobicContact CE-CD1 4.29Å; M615-I649 HydrophobicContact CE-CG2 4.27Å; M615-I649 HydrophobicContact CG-CG2 4.22Å; M615-I649 HydrophobicContact SD-CG2 3.85Å; L629-I649 HydrophobicContact CD2-CG2 4.37Å; A632-I649 HydrophobicContact CB-CD1 3.71Å; M636-I649 HydrophobicContact CE-CD1 3.56Å; M636-I649 HydrophobicContact CE-CG1 4.22Å; M636-I649 HydrophobicContact SD-CD1 4.19Å; I649-M679 PolarHBondContact N-O 3.34Å; I649-L680 HydrophobicContact CB-CD1 4.21Å; I649-L680 HydrophobicContact CG2-CD1 4.01Å; I649-E681 PolarHBondContact O-N 2.95Å
650	Y	93.6	Very high	75.9	Confident	9 Å²	9	49.5 Å²	49.5	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.2	168.2	-66.8	-85.6	0	0	0	108.3	V612 C613 I614 M615 K648 E681 V753 H757	V612-Y650 HydrophobicContact CG1-CD2 3.86Å; V612-Y650 HydrophobicContact CG1-CE2 3.7Å; C613-Y650 PolarHBondContact O-N 3.11Å; I614-Y650 CarbonylContact C-O 3.47Å; I614-Y650 WeakPolarHBondContact CA-O 3.37Å; M615-Y650 PolarHBondContact N-O 3.06Å; K648-Y650 HydrophobicContact CG-CD2 4.43Å; K648-Y650 HydrophobicContact CG-CE2 3.8Å; Y650-E681 HydrophobicContact CD1-CB 4Å; Y650-E681 HydrophobicContact CD1-CG 4.27Å; Y650-E681 HydrophobicContact CE1-CB 4.19Å; Y650-E681 VanDerWaalsContact CE1-CD 3.47Å; Y650-E681 HydrophobicContact CE1-CG 4.29Å; Y650-E681 WeakPolarHBondContact CE1-OE2 3.32Å; Y650-V753 HydrophobicContact CD1-CG2 4.39Å; Y650-V753 HydrophobicContact CD2-CG1 4.16Å; Y650-V753 HydrophobicContact CD2-CG2 4.28Å; Y650-V753 HydrophobicContact CE1-CG2 4.41Å; Y650-V753 HydrophobicContact CE2-CG1 3.93Å; Y650-V753 HydrophobicContact CE2-CG2 4.31Å; Y650-V753 HydrophobicContact CG-CG2 4.33Å; Y650-H757 AromaticContact CE2-NE2 3.55Å; Y650-H757 AromaticContact CZ-NE2 3.67Å; Y650-H757 PolarHBondContact OH-NE2 2.92Å
651	F	93.9	Very high	76.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.2	178.2	-177.8	-108.3	0	0	0	110.2	M615 A617 V622 Y625 L629 W653 F664 L668 L680 E681 I682 H683	M615-F651 HydrophobicContact CB-CD2 3.84Å; M615-F651 CarbonylContact O-C 3.47Å; M615-F651 WeakPolarHBondContact O-CA 3.4Å; A617-F651 HydrophobicContact CB-CE2 3.89Å; A617-F651 HydrophobicContact CB-CZ 3.87Å; V622-F651 HydrophobicContact CG2-CZ 4.11Å; Y625-F651 HydrophobicContact CD1-CE2 4.2Å; Y625-F651 HydrophobicContact CD2-CE2 4.16Å; Y625-F651 AromaticContact CG-CE2 3.79Å; Y625-F651 HydrophobicContact CG-CE2 3.79Å; L629-F651 HydrophobicContact CD1-CD1 3.93Å; L629-F651 HydrophobicContact CD1-CD2 3.82Å; L629-F651 HydrophobicContact CD1-CE1 3.97Å; L629-F651 HydrophobicContact CD1-CE2 3.86Å; L629-F651 HydrophobicContact CD1-CG 3.86Å; L629-F651 HydrophobicContact CD1-CZ 3.93Å; L629-F651 HydrophobicContact CD2-CB 4.23Å; L629-F651 HydrophobicContact CD2-CD2 3.99Å; L629-F651 HydrophobicContact CD2-CG 4.14Å; L629-F651 HydrophobicContact CG-CD2 4.32Å; F651-W653 HydrophobicContact CD1-CB 4.46Å; F651-W653 HydrophobicContact CE1-CB 3.71Å; F651-W653 HydrophobicContact CE1-CG 4.4Å; F651-W653 HydrophobicContact CZ-CB 4.1Å; F651-F664 AromaticContact CE1-CE1 3.71Å; F651-F664 HydrophobicContact CE1-CE1 3.71Å; F651-F664 AromaticContact CE1-CZ 3.98Å; F651-F664 HydrophobicContact CE1-CZ 3.98Å; F651-F664 AromaticContact CZ-CE1 3.77Å; F651-F664 HydrophobicContact CZ-CE1 3.77Å; F651-F664 AromaticContact CZ-CZ 3.72Å; F651-F664 HydrophobicContact CZ-CZ 3.72Å; F651-L668 HydrophobicContact CD1-CD2 3.91Å; F651-L668 HydrophobicContact CE1-CD2 3.71Å; F651-L680 HydrophobicContact CB-CD1 3.9Å; F651-E681 PolarHBondContact N-O 3.4Å; F651-I682 HydrophobicContact CB-CG1 4.3Å; F651-I682 HydrophobicContact CD1-CG1 4.26Å; F651-I682 HydrophobicContact CD1-CG2 4.1Å; F651-I682 CarbonylContact O-C 3.53Å; F651-I682 WeakPolarHBondContact O-CA 3.05Å; F651-H683 PolarHBondContact O-N 3.39Å
652	V	92.1	Very high	77.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	109.7	-178	-178.9	0	0	0	0	108.1	I614 M615 I616 A617 I654 H683 F685 L749	I614-V652 HydrophobicContact CG2-CG2 4.22Å; M615-V652 PolarHBondContact O-N 3.28Å; I616-V652 CarbonylContact C-O 3.51Å; I616-V652 VanDerWaalsContact CA-O 3.32Å; I616-V652 WeakPolarHBondContact CA-O 3.18Å; I616-V652 HydrophobicContact CG1-CB 4.15Å; I616-V652 HydrophobicContact CG1-CG2 4.49Å; I616-V652 HydrophobicContact CG2-CB 4.5Å; I616-V652 HydrophobicContact CG2-CG1 4.46Å; A617-V652 PolarHBondContact N-O 3.27Å; V652-I654 HydrophobicContact CG1-CG1 4.3Å; V652-H683 CarbonylContact C-O 3.6Å; V652-H683 WeakPolarHBondContact CA-O 3.14Å; V652-F685 HydrophobicContact CG1-CD2 3.75Å; V652-F685 HydrophobicContact CG1-CE2 3.75Å; V652-L749 HydrophobicContact CG1-CD2 4.5Å; V652-L749 HydrophobicContact CG2-CD2 3.6Å
653	W	90.2	Very high	78.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.6	178.4	-177.8	33.2	0	0	0	110.9	A617 V622 F651 C655 Y661 F664 L665 L668 H683 I684 F685	A617-W653 CarbonylContact O-C 3.52Å; A617-W653 WeakPolarHBondContact O-CA 3.47Å; V622-W653 HydrophobicContact CG2-CG 4.29Å; F651-W653 HydrophobicContact CD1-CB 4.46Å; F651-W653 HydrophobicContact CE1-CB 3.71Å; F651-W653 HydrophobicContact CE1-CG 4.4Å; F651-W653 HydrophobicContact CZ-CB 4.1Å; W653-C655 HydrophobicContact CZ2-CB 3.79Å; W653-Y661 HydrophobicContact CH2-CG 4.49Å; W653-Y661 AromaticContact CZ2-CD2 3.88Å; W653-Y661 HydrophobicContact CZ2-CD2 3.88Å; W653-Y661 AromaticContact CZ2-CG 3.74Å; W653-Y661 HydrophobicContact CZ2-CG 3.74Å; W653-F664 HydrophobicContact CD2-CD1 4.1Å; W653-F664 HydrophobicContact CD2-CE1 4.31Å; W653-F664 HydrophobicContact CE3-CD1 4.09Å; W653-F664 HydrophobicContact CE3-CE1 4.44Å; W653-F664 HydrophobicContact CH2-CD1 4.18Å; W653-F664 HydrophobicContact CZ2-CD1 4.18Å; W653-F664 HydrophobicContact CZ3-CD1 4.13Å; W653-L665 HydrophobicContact CZ3-CD2 3.81Å; W653-L665 HydrophobicContact CZ3-CG 4.45Å; W653-L668 HydrophobicContact CE3-CD1 4.06Å; W653-L668 HydrophobicContact CZ3-CD1 4.36Å; W653-H683 PolarHBondContact N-O 3.33Å; W653-I684 HydrophobicContact CD2-CG2 4.38Å; W653-I684 HydrophobicContact CE3-CB 4.37Å; W653-I684 HydrophobicContact CE3-CD1 4Å; W653-I684 HydrophobicContact CE3-CG1 3.97Å; W653-I684 HydrophobicContact CE3-CG2 3.65Å; W653-I684 HydrophobicContact CZ3-CD1 4.24Å; W653-I684 HydrophobicContact CZ3-CG2 4.08Å; W653-I684 CarbonylContact O-C 3.6Å; W653-I684 WeakPolarHBondContact O-CA 3.23Å; W653-F685 PolarHBondContact O-N 3.41Å
654	I	85.2	Confident	79.2	Confident	14 Å²	14	27.9 Å²	27.9	7%	0.072	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	110.5	-179.7	-52.2	171.5	0	0	0	108.1	I616 A617 A618 G619 V652 F685 T687 P744 V773	I616-I654 HydrophobicContact CG2-CD1 3.91Å; A617-I654 PolarHBondContact O-N 3.3Å; A618-I654 VanDerWaalsContact CA-O 3.28Å; A618-I654 WeakPolarHBondContact CA-O 3.41Å; A618-I654 HydrophobicContact CB-CB 4Å; G619-I654 PolarHBondContact N-O 3.49Å; G619-I654 VanDerWaalsContact N-O 3.12Å; V652-I654 HydrophobicContact CG1-CG1 4.3Å; I654-F685 HydrophobicContact CG1-CB 4.39Å; I654-T687 HydrophobicContact CG2-CG2 3.47Å; I654-T687 VanDerWaalsContact CG2-CG2 3.47Å; I654-P744 HydrophobicContact CD1-CG 3.62Å; I654-P744 HydrophobicContact CG1-CG 4.01Å; I654-V773 HydrophobicContact CD1-CG1 3.86Å
655	C	76.4	Confident	79.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.9	178.3	61.6	0	0	0	0	110.9	W653 Y661 F685 V686 T687	W653-C655 HydrophobicContact CZ2-CB 3.79Å; C655-Y661 HydrophobicContact CB-CD2 4.15Å; C655-Y661 HydrophobicContact CB-CE2 4.43Å; C655-F685 PolarHBondContact N-O 2.87Å; C655-F685 VanDerWaalsContact O-O 3.08Å; C655-V686 CarbonylContact O-C 3.53Å; C655-V686 WeakPolarHBondContact O-CA 3.3Å; C655-T687 PolarHBondContact O-N 2.95Å; C655-T687 PolarHBondContact O-OG1 2.65Å
656	P	64.5	Low	79.5	Confident	50 Å²	50	28.8 Å²	28.8	33%	0.325	14%	0.137	S	C	.	.	S	Bend	trans	-66.9	-52.1	169.1	-21.6	34	0	0	0	110.7	V686 Q688	P656-V686 WeakPolarHBondContact O-CG1 3.39Å; P656-Q688 WeakPolarHBondContact O-CB 3.26Å; P656-Q688 PolarHBondContact O-N 2.78Å
657	M	64.3	Low	79.6	Confident	43 Å²	43	29.3 Å²	29.3	21%	0.212	14%	0.139	C	C	.	.			trans	-143.3	150.5	-173.7	61.7	-160.3	-71.6	0	0	111.3	K659 S660	M657-K659 HydrophobicContact CE-CB 3.81Å; M657-K659 HydrophobicContact CE-CD 4.01Å; M657-K659 HydrophobicContact CE-CG 4.38Å; M657-S660 VanDerWaalsContact CG-OG 3.27Å; M657-S660 WeakPolarHBondContact CG-OG 3.31Å; M657-S660 PolarHBondContact O-N 3.09Å
658	Y	64.2	Low	79.7	Confident	41 Å²	41	22.8 Å²	22.8	16%	0.161	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-63.1	-42.3	178.2	-70.1	-73.7	0	0	0	112.4	S660 Y661 E662 L665 I684 V686 T733 N739	Y658-S660 PolarHBondContact O-N 3.41Å; Y658-Y661 CarbonylContact O-C 3.57Å; Y658-Y661 PolarHBondContact O-N 3.03Å; Y658-E662 PolarHBondContact O-N 3.43Å; Y658-L665 HydrophobicContact CD1-CD1 4.37Å; Y658-I684 HydrophobicContact CE1-CG2 4.1Å; Y658-V686 HydrophobicContact CD2-CG2 4.25Å; Y658-V686 HydrophobicContact CE1-CG2 4.03Å; Y658-V686 HydrophobicContact CE2-CG2 3.53Å; Y658-V686 WeakPolarHBondContact OH-CG2 3.14Å; Y658-T733 HydrophobicContact CD1-CG2 4.39Å; Y658-T733 HydrophobicContact CE1-CG2 3.87Å; Y658-N739 PolarHBondContact OH-OD1 3.25Å
659	K	58.4	Low	79.4	Confident	31 Å²	31	23.6 Å²	23.6	14%	0.135	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-52.8	-28.6	-179.1	-171.4	176.5	-176.9	175.4	0	113.5	D85 P513 S514 M657 Y661	D85-K659 PolarHBondContact O-NZ 2.93Å; D85-K659 IonicContact OD1-NZ 3.79Å; D85-K659 PolarHBondContact OD1-NZ 2.9Å; D85-K659 IonicContact OD2-NZ 3.01Å; D85-K659 PolarHBondContact OD2-NZ 3.45Å; P513-K659 HydrophobicContact CB-CG 4.42Å; S514-K659 PolarHBondContact OG-O 3.46Å; M657-K659 HydrophobicContact CE-CB 3.81Å; M657-K659 HydrophobicContact CE-CD 4.01Å; M657-K659 HydrophobicContact CE-CG 4.38Å; K659-Y661 VanDerWaalsContact C-N 3.26Å; K659-Y661 PolarHBondContact O-N 3.45Å
660	S	60.4	Low	79.1	Confident	15 Å²	15	25.1 Å²	25.1	11%	0.105	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-69	-19.6	178.8	-74	0	0	0	0	115	S514 M657 Y658	S514-S660 VanDerWaalsContact CB-CA 3.49Å; S514-S660 WeakPolarHBondContact OG-CA 3.48Å; S514-S660 PolarHBondContact OG-N 3.15Å; M657-S660 VanDerWaalsContact CG-OG 3.27Å; M657-S660 WeakPolarHBondContact CG-OG 3.31Å; M657-S660 PolarHBondContact O-N 3.09Å; Y658-S660 PolarHBondContact O-N 3.41Å
661	Y	68.1	Low	78.9	Confident	11 Å²	11	24.7 Å²	24.7	4%	0.043	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-151.1	33.8	-167.3	-57.2	-78.9	0	0	0	112.2	G619 I620 V622 W653 C655 Y658 K659 W663 F664	G619-Y661 VanDerWaalsContact C-CZ 3.47Å; G619-Y661 VanDerWaalsContact C-OH 3.23Å; G619-Y661 VanDerWaalsContact CA-OH 3.31Å; G619-Y661 WeakPolarHBondContact CA-OH 3.35Å; I620-Y661 HydrophobicContact CD1-CE1 4.48Å; I620-Y661 PolarHBondContact N-OH 2.88Å; V622-Y661 HydrophobicContact CG1-CD1 4.07Å; V622-Y661 HydrophobicContact CG1-CE1 4.42Å; W653-Y661 HydrophobicContact CH2-CG 4.49Å; W653-Y661 AromaticContact CZ2-CD2 3.88Å; W653-Y661 HydrophobicContact CZ2-CD2 3.88Å; W653-Y661 AromaticContact CZ2-CG 3.74Å; W653-Y661 HydrophobicContact CZ2-CG 3.74Å; C655-Y661 HydrophobicContact CB-CD2 4.15Å; C655-Y661 HydrophobicContact CB-CE2 4.43Å; Y658-Y661 CarbonylContact O-C 3.57Å; Y658-Y661 PolarHBondContact O-N 3.03Å; K659-Y661 VanDerWaalsContact C-N 3.26Å; K659-Y661 PolarHBondContact O-N 3.45Å; Y661-W663 PolarHBondContact O-N 3.04Å; Y661-F664 WeakPolarHBondContact O-CB 3.3Å; Y661-F664 PolarHBondContact O-N 3.16Å
662	E	71.7	Confident	78.6	Confident	72 Å²	72	26.3 Å²	26.3	34%	0.336	13%	0.132	S	C	.	.	H	α-helix	trans	-53.7	-40.2	179	-69.9	174.1	-177.9	0	0	112.3	Y658 F664 L665	Y658-E662 PolarHBondContact O-N 3.43Å; E662-F664 PolarHBondContact O-N 2.97Å; E662-F664 VanDerWaalsContact O-N 3.09Å; E662-L665 VanDerWaalsContact O-CB 3.29Å; E662-L665 WeakPolarHBondContact O-CB 3.49Å; E662-L665 PolarHBondContact O-N 3.09Å
663	W	81.1	Confident	78.3	Confident	12 Å²	12	31.8 Å²	31.8	5%	0.045	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-29.9	175.2	68.2	-92.5	0	0	0	113.6	L512 Y566 V622 T623 A626 Y661 I667	L512-W663 HydrophobicContact CD1-CB 3.81Å; L512-W663 HydrophobicContact CD1-CG 4.18Å; Y566-W663 HydrophobicContact CD1-CB 4.27Å; Y566-W663 AromaticContact CD1-CD2 3.45Å; Y566-W663 HydrophobicContact CD1-CD2 3.45Å; Y566-W663 VanDerWaalsContact CD1-CD2 3.45Å; Y566-W663 AromaticContact CD1-CE2 3.85Å; Y566-W663 AromaticContact CD1-CE3 3.63Å; Y566-W663 HydrophobicContact CD1-CE3 3.63Å; Y566-W663 AromaticContact CD1-CG 3.75Å; Y566-W663 HydrophobicContact CD1-CG 3.75Å; Y566-W663 HydrophobicContact CD1-CH2 4.44Å; Y566-W663 HydrophobicContact CD1-CZ2 4.35Å; Y566-W663 HydrophobicContact CD1-CZ3 4.11Å; Y566-W663 HydrophobicContact CD2-CD2 4.31Å; Y566-W663 AromaticContact CD2-CE3 3.72Å; Y566-W663 HydrophobicContact CD2-CE3 3.72Å; Y566-W663 AromaticContact CD2-CH2 3.78Å; Y566-W663 HydrophobicContact CD2-CH2 3.78Å; Y566-W663 HydrophobicContact CD2-CZ2 4.39Å; Y566-W663 AromaticContact CD2-CZ3 3.41Å; Y566-W663 HydrophobicContact CD2-CZ3 3.41Å; Y566-W663 VanDerWaalsContact CD2-CZ3 3.41Å; Y566-W663 HydrophobicContact CE1-CB 3.66Å; Y566-W663 AromaticContact CE1-CD2 3.45Å; Y566-W663 HydrophobicContact CE1-CD2 3.45Å; Y566-W663 VanDerWaalsContact CE1-CD2 3.45Å; Y566-W663 AromaticContact CE1-CE3 3.35Å; Y566-W663 HydrophobicContact CE1-CE3 3.35Å; Y566-W663 AromaticContact CE1-CG 3.61Å; Y566-W663 HydrophobicContact CE1-CG 3.61Å; Y566-W663 HydrophobicContact CE1-CZ3 4.11Å; Y566-W663 HydrophobicContact CE2-CD2 4.3Å; Y566-W663 AromaticContact CE2-CE3 3.45Å; Y566-W663 HydrophobicContact CE2-CE3 3.45Å; Y566-W663 VanDerWaalsContact CE2-CE3 3.45Å; Y566-W663 HydrophobicContact CE2-CH2 4.24Å; Y566-W663 AromaticContact CE2-CZ3 3.39Å; Y566-W663 HydrophobicContact CE2-CZ3 3.39Å; Y566-W663 AromaticContact CG-CD2 3.9Å; Y566-W663 HydrophobicContact CG-CD2 3.9Å; Y566-W663 AromaticContact CG-CE3 3.8Å; Y566-W663 HydrophobicContact CG-CE3 3.8Å; Y566-W663 AromaticContact CG-CH2 3.88Å; Y566-W663 HydrophobicContact CG-CH2 3.88Å; Y566-W663 HydrophobicContact CG-CZ2 4.02Å; Y566-W663 AromaticContact CG-CZ3 3.77Å; Y566-W663 HydrophobicContact CG-CZ3 3.77Å; Y566-W663 AromaticContact CZ-CD2 3.88Å; Y566-W663 AromaticContact CZ-CE3 3.24Å; Y566-W663 AromaticContact CZ-CZ3 3.75Å; V622-W663 HydrophobicContact CG1-CZ2 4.36Å; T623-W663 HydrophobicContact CG2-CH2 4.17Å; A626-W663 HydrophobicContact CB-CZ3 4.36Å; Y661-W663 PolarHBondContact O-N 3.04Å; W663-I667 HydrophobicContact CE3-CD1 3.65Å; W663-I667 HydrophobicContact CZ3-CD1 3.47Å; W663-I667 VanDerWaalsContact CZ3-CD1 3.47Å
664	F	86	Confident	78.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-77.7	-25.5	-179.6	-169.8	-106.7	0	0	0	111.8	V622 A626 L629 F651 W653 Y661 E662 E666 I667 L668	V622-F664 HydrophobicContact CG1-CD2 4.35Å; V622-F664 HydrophobicContact CG1-CG 4.28Å; V622-F664 HydrophobicContact CG2-CD1 3.46Å; V622-F664 VanDerWaalsContact CG2-CD1 3.46Å; V622-F664 HydrophobicContact CG2-CD2 3.88Å; V622-F664 HydrophobicContact CG2-CE1 3.15Å; V622-F664 HydrophobicContact CG2-CE2 3.62Å; V622-F664 HydrophobicContact CG2-CG 3.83Å; V622-F664 HydrophobicContact CG2-CZ 3.26Å; A626-F664 HydrophobicContact CB-CD2 4.29Å; A626-F664 HydrophobicContact CB-CE2 3.92Å; L629-F664 HydrophobicContact CD1-CZ 4.23Å; F651-F664 AromaticContact CE1-CE1 3.71Å; F651-F664 HydrophobicContact CE1-CE1 3.71Å; F651-F664 AromaticContact CE1-CZ 3.98Å; F651-F664 HydrophobicContact CE1-CZ 3.98Å; F651-F664 AromaticContact CZ-CE1 3.77Å; F651-F664 HydrophobicContact CZ-CE1 3.77Å; F651-F664 AromaticContact CZ-CZ 3.72Å; F651-F664 HydrophobicContact CZ-CZ 3.72Å; W653-F664 HydrophobicContact CD2-CD1 4.1Å; W653-F664 HydrophobicContact CD2-CE1 4.31Å; W653-F664 HydrophobicContact CE3-CD1 4.09Å; W653-F664 HydrophobicContact CE3-CE1 4.44Å; W653-F664 HydrophobicContact CH2-CD1 4.18Å; W653-F664 HydrophobicContact CZ2-CD1 4.18Å; W653-F664 HydrophobicContact CZ3-CD1 4.13Å; Y661-F664 WeakPolarHBondContact O-CB 3.3Å; Y661-F664 PolarHBondContact O-N 3.16Å; E662-F664 PolarHBondContact O-N 2.97Å; E662-F664 VanDerWaalsContact O-N 3.09Å; F664-E666 VanDerWaalsContact C-N 3.28Å; F664-E666 PolarHBondContact O-N 2.66Å; F664-I667 HydrophobicContact CD2-CB 4.37Å; F664-I667 HydrophobicContact CD2-CD1 4.37Å; F664-I667 HydrophobicContact CE2-CG2 4.43Å; F664-I667 PolarHBondContact O-N 3.38Å; F664-L668 HydrophobicContact CD1-CD1 3.9Å; F664-L668 HydrophobicContact CD1-CD2 4.49Å; F664-L668 HydrophobicContact CD1-CG 3.94Å; F664-L668 HydrophobicContact CE1-CD1 3.7Å; F664-L668 HydrophobicContact CE1-CD2 3.64Å; F664-L668 HydrophobicContact CE1-CG 3.58Å; F664-L668 HydrophobicContact CZ-CD2 3.86Å; F664-L668 HydrophobicContact CZ-CG 4.13Å; F664-L668 WeakPolarHBondContact O-CG 3.25Å; F664-L668 PolarHBondContact O-N 3.37Å
665	L	81.1	Confident	78.2	Confident	21 Å²	21	35 Å²	35	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-36.7	173.1	-64.1	172.2	0	0	0	111.5	W653 Y658 E662 I667 L668 R669 I684 T733 L735	W653-L665 HydrophobicContact CZ3-CD2 3.81Å; W653-L665 HydrophobicContact CZ3-CG 4.45Å; Y658-L665 HydrophobicContact CD1-CD1 4.37Å; E662-L665 VanDerWaalsContact O-CB 3.29Å; E662-L665 WeakPolarHBondContact O-CB 3.49Å; E662-L665 PolarHBondContact O-N 3.09Å; L665-I667 VanDerWaalsContact C-N 3.29Å; L665-I667 PolarHBondContact O-N 2.9Å; L665-L668 PolarHBondContact O-N 2.69Å; L665-R669 WeakPolarHBondContact O-CB 3.4Å; L665-R669 PolarHBondContact O-N 2.92Å; L665-I684 HydrophobicContact CD2-CD1 4.13Å; L665-T733 HydrophobicContact CD1-CG2 4.3Å; L665-T733 HydrophobicContact CD2-CG2 3.99Å; L665-L735 HydrophobicContact CD2-CD1 3.79Å
666	E	81.2	Confident	78.5	Confident	113 Å²	113	43 Å²	43	53%	0.528	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-38.8	174.5	-62.3	-179	172.3	0	0	111.6	F664 R669 A670	F664-E666 VanDerWaalsContact C-N 3.28Å; F664-E666 PolarHBondContact O-N 2.66Å; E666-R669 WeakPolarHBondContact O-CB 3.3Å; E666-R669 PolarHBondContact O-N 3.29Å; E666-A670 PolarHBondContact O-N 3.38Å
667	I	87.5	Confident	79.4	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-70.2	-41.5	178.5	-59.6	-176.7	0	0	0	111.2	Y566 A626 L630 W663 F664 L665 R669 A670 A671	Y566-I667 HydrophobicContact CE2-CD1 4.26Å; A626-I667 HydrophobicContact CB-CD1 3.55Å; A626-I667 HydrophobicContact CB-CG2 4Å; L630-I667 HydrophobicContact CD1-CG2 3.98Å; L630-I667 HydrophobicContact CG-CG2 4.16Å; W663-I667 HydrophobicContact CE3-CD1 3.65Å; W663-I667 HydrophobicContact CZ3-CD1 3.47Å; W663-I667 VanDerWaalsContact CZ3-CD1 3.47Å; F664-I667 HydrophobicContact CD2-CB 4.37Å; F664-I667 HydrophobicContact CD2-CD1 4.37Å; F664-I667 HydrophobicContact CE2-CG2 4.43Å; F664-I667 PolarHBondContact O-N 3.38Å; L665-I667 VanDerWaalsContact C-N 3.29Å; L665-I667 PolarHBondContact O-N 2.9Å; I667-R669 VanDerWaalsContact C-N 3.27Å; I667-R669 PolarHBondContact O-N 3.11Å; I667-A670 PolarHBondContact O-N 3.27Å; I667-A671 WeakPolarHBondContact O-CB 3.21Å; I667-A671 PolarHBondContact O-N 3.43Å
668	L	89	Confident	80.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-38.6	173.6	-69.2	178.3	0	0	0	111.5	L629 F651 W653 F664 L665 A671 E672 I682 I684 L735	L629-L668 HydrophobicContact CD1-CD2 3.85Å; F651-L668 HydrophobicContact CD1-CD2 3.91Å; F651-L668 HydrophobicContact CE1-CD2 3.71Å; W653-L668 HydrophobicContact CE3-CD1 4.06Å; W653-L668 HydrophobicContact CZ3-CD1 4.36Å; F664-L668 HydrophobicContact CD1-CD1 3.9Å; F664-L668 HydrophobicContact CD1-CD2 4.49Å; F664-L668 HydrophobicContact CD1-CG 3.94Å; F664-L668 HydrophobicContact CE1-CD1 3.7Å; F664-L668 HydrophobicContact CE1-CD2 3.64Å; F664-L668 HydrophobicContact CE1-CG 3.58Å; F664-L668 HydrophobicContact CZ-CD2 3.86Å; F664-L668 HydrophobicContact CZ-CG 4.13Å; F664-L668 WeakPolarHBondContact O-CG 3.25Å; F664-L668 PolarHBondContact O-N 3.37Å; L665-L668 PolarHBondContact O-N 2.69Å; L668-A671 PolarHBondContact O-N 2.83Å; L668-E672 WeakPolarHBondContact O-CG 3.35Å; L668-E672 PolarHBondContact O-N 3.46Å; L668-I682 HydrophobicContact CB-CD1 4.39Å; L668-I682 HydrophobicContact CD1-CG2 4.3Å; L668-I682 HydrophobicContact CD2-CD1 3.96Å; L668-I682 HydrophobicContact CD2-CG1 4.45Å; L668-I684 HydrophobicContact CD1-CD1 4.12Å; L668-L735 HydrophobicContact CB-CD1 3.96Å; L668-L735 HydrophobicContact CB-CD2 4.14Å; L668-L735 HydrophobicContact CD1-CD1 4.17Å
669	R	85.1	Confident	81.5	Confident	44 Å²	44	49 Å²	49	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-48.2	176	-168.6	-178.2	-61.3	133.9	5.1	111	L665 E666 I667 A671 E672 E673 T733 L735	L665-R669 WeakPolarHBondContact O-CB 3.4Å; L665-R669 PolarHBondContact O-N 2.92Å; E666-R669 WeakPolarHBondContact O-CB 3.3Å; E666-R669 PolarHBondContact O-N 3.29Å; I667-R669 VanDerWaalsContact C-N 3.27Å; I667-R669 PolarHBondContact O-N 3.11Å; R669-A671 VanDerWaalsContact C-N 3.29Å; R669-A671 PolarHBondContact O-N 3.2Å; R669-E672 PolarHBondContact O-N 3.3Å; R669-E673 HydrophobicContact CG-CG 4.48Å; R669-E673 WeakPolarHBondContact CG-OE1 3.41Å; R669-E673 WeakPolarHBondContact O-CB 3.43Å; R669-E673 WeakPolarHBondContact O-CG 3.32Å; R669-E673 PolarHBondContact O-N 3.14Å; R669-T733 PolarHBondContact NH2-O 3.42Å; R669-T733 VanDerWaalsContact NH2-O 3.07Å; R669-L735 HydrophobicContact CB-CD2 3.62Å; R669-L735 HydrophobicContact CG-CD2 4.2Å
670	A	87.5	Confident	83.1	Confident	33 Å²	33	48 Å²	48	27%	0.273	23%	0.227	S	C	.	.	H	α-helix	trans	-58.9	-41.4	176	0	0	0	0	0	111.9	L630 E666 I667 E673 E674	L630-A670 HydrophobicContact CD2-CB 4.04Å; E666-A670 PolarHBondContact O-N 3.38Å; I667-A670 PolarHBondContact O-N 3.27Å; A670-E673 PolarHBondContact O-N 2.81Å; A670-E674 WeakPolarHBondContact O-CG 3.18Å; A670-E674 PolarHBondContact O-N 2.71Å
671	A	89.5	Confident	84.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-39.2	176.8	0	0	0	0	0	113	L630 I667 L668 R669 D675 L680	L630-A671 HydrophobicContact CD2-CB 4.02Å; I667-A671 WeakPolarHBondContact O-CB 3.21Å; I667-A671 PolarHBondContact O-N 3.43Å; L668-A671 PolarHBondContact O-N 2.83Å; R669-A671 VanDerWaalsContact C-N 3.29Å; R669-A671 PolarHBondContact O-N 3.2Å; A671-D675 WeakPolarHBondContact O-CB 3.37Å; A671-D675 PolarHBondContact O-N 2.89Å; A671-D675 VanDerWaalsContact O-N 3.13Å; A671-L680 HydrophobicContact CB-CD2 3.85Å
672	E	87.2	Confident	85.5	Confident	34 Å²	34	49.3 Å²	49.3	16%	0.159	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-36.4	175.5	-75.6	-173.6	166.6	0	0	112.8	L668 R669 D675 I682 L735 K736 A737	L668-E672 WeakPolarHBondContact O-CG 3.35Å; L668-E672 PolarHBondContact O-N 3.46Å; R669-E672 PolarHBondContact O-N 3.3Å; E672-D675 PolarHBondContact O-N 2.98Å; E672-I682 HydrophobicContact CG-CD1 3.57Å; E672-I682 WeakPolarHBondContact OE1-CD1 3.37Å; E672-L735 WeakPolarHBondContact OE2-CA 3.23Å; E672-K736 PolarHBondContact OE1-N 3.37Å; E672-K736 PolarHBondContact OE2-N 3.18Å; E672-A737 WeakPolarHBondContact OE1-CA 3.27Å; E672-A737 WeakPolarHBondContact OE1-CB 3.38Å; E672-A737 PolarHBondContact OE1-N 3.21Å
673	E	86.1	Confident	86.3	Confident	116 Å²	116	46.6 Å²	46.6	54%	0.542	22%	0.219	S	C	.	.	H	α-helix	trans	-69.8	-35.2	177.5	-74.4	174.4	179.3	0	0	112.1	R669 A670	R669-E673 HydrophobicContact CG-CG 4.48Å; R669-E673 WeakPolarHBondContact CG-OE1 3.41Å; R669-E673 WeakPolarHBondContact O-CB 3.43Å; R669-E673 WeakPolarHBondContact O-CG 3.32Å; R669-E673 PolarHBondContact O-N 3.14Å; A670-E673 PolarHBondContact O-N 2.81Å
674	E	85.9	Confident	86.3	Confident	60 Å²	60	46 Å²	46	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-74.5	-25	173.5	-70.9	-173.7	-159.3	0	0	112.7	V633 R634 A670 K676	V633-E674 HydrophobicContact CG1-CB 3.75Å; R634-E674 WeakPolarHBondContact CG-OE2 3.45Å; R634-E674 IonicContact CZ-OE1 3.28Å; R634-E674 IonicContact CZ-OE2 3.7Å; R634-E674 IonicContact NE-OE1 2.95Å; R634-E674 PolarHBondContact NE-OE1 3.28Å; R634-E674 IonicContact NE-OE2 2.96Å; R634-E674 PolarHBondContact NE-OE2 3.13Å; R634-E674 IonicContact NH2-OE1 3.81Å; R634-E674 PolarHBondContact NH2-OE1 3.32Å; R634-E674 IonicContact NH2-OE2 3.88Å; A670-E674 WeakPolarHBondContact O-CG 3.18Å; A670-E674 PolarHBondContact O-N 2.71Å; E674-K676 PolarHBondContact O-N 3.31Å
675	D	87.6	Confident	85.9	Confident	22 Å²	22	47 Å²	47	12%	0.118	22%	0.221	C	C	.	.			trans	-79.5	86.3	-178.4	-176.4	19.2	0	0	0	113.6	V633 A671 E672 R677 N678 M679 L680	V633-D675 HydrophobicContact CG1-CB 4.03Å; V633-D675 HydrophobicContact CG2-CB 4.47Å; A671-D675 WeakPolarHBondContact O-CB 3.37Å; A671-D675 PolarHBondContact O-N 2.89Å; A671-D675 VanDerWaalsContact O-N 3.13Å; E672-D675 PolarHBondContact O-N 2.98Å; D675-R677 VanDerWaalsContact C-N 3.33Å; D675-R677 PolarHBondContact O-N 3.33Å; D675-R677 PolarHBondContact OD1-N 3Å; D675-R677 VanDerWaalsContact OD1-N 3.13Å; D675-N678 PolarHBondContact OD1-N 3.22Å; D675-N678 VanDerWaalsContact OD2-CA 3.31Å; D675-N678 WeakPolarHBondContact OD2-CA 3.4Å; D675-M679 VanDerWaalsContact CG-N 3.34Å; D675-M679 PolarHBondContact OD1-N 3.45Å; D675-M679 VanDerWaalsContact OD1-N 3.08Å; D675-M679 PolarHBondContact OD2-N 3.45Å; D675-L680 WeakPolarHBondContact OD2-CB 3.26Å; D675-L680 PolarHBondContact OD2-N 3.43Å
676	K	82.9	Confident	85.4	Confident	167 Å²	167	46 Å²	46	73%	0.726	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.2	175.9	-61.8	-177.7	-177.7	179	0	114.7	E674	E674-K676 PolarHBondContact O-N 3.31Å
677	R	82.9	Confident	84.5	Confident	130 Å²	130	42.4 Å²	42.4	49%	0.491	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	5.3	-171.6	-71.4	-175.4	-173.9	161.2	7.5	113.1	M636 H637 S639 D675 M679	M636-R677 PolarHBondContact O-NH1 3.04Å; M636-R677 VanDerWaalsContact O-NH1 3.16Å; H637-R677 PolarHBondContact O-NH2 3.44Å; S639-R677 PolarHBondContact OG-NH1 2.99Å; D675-R677 VanDerWaalsContact C-N 3.33Å; D675-R677 PolarHBondContact O-N 3.33Å; D675-R677 PolarHBondContact OD1-N 3Å; D675-R677 VanDerWaalsContact OD1-N 3.13Å; R677-M679 HydrophobicContact CB-CE 4.16Å; R677-M679 HydrophobicContact CB-CG 3.66Å; R677-M679 HydrophobicContact CB-SD 3.89Å; R677-M679 PolarHBondContact O-N 2.83Å
678	N	85	Confident	83.1	Confident	116 Å²	116	43.7 Å²	43.7	62%	0.62	21%	0.207	S	C	*	.			trans	52.5	46.4	-175.3	-170.1	10.7	0	0	0	110.9	K648 D675	K648-N678 PolarHBondContact NZ-O 3.45Å; K648-N678 PolarHBondContact NZ-OD1 3.42Å; D675-N678 PolarHBondContact OD1-N 3.22Å; D675-N678 VanDerWaalsContact OD2-CA 3.31Å; D675-N678 WeakPolarHBondContact OD2-CA 3.4Å
679	M	87.9	Confident	81	Confident	14 Å²	14	49.8 Å²	49.8	7%	0.069	24%	0.239	C	C	.	.			trans	-83.7	-25.7	177.5	-62.6	175.9	-58.5	0	0	111.5	M636 K648 I649 D675 R677	M636-M679 HydrophobicContact CB-CE 3.72Å; M636-M679 HydrophobicContact CB-SD 3.53Å; M636-M679 VanDerWaalsContact CB-SD 3.53Å; M636-M679 HydrophobicContact CE-CB 3.96Å; M636-M679 HydrophobicContact CE-CE 4.16Å; M636-M679 HydrophobicContact CE-SD 4.26Å; M636-M679 HydrophobicContact CG-SD 4.39Å; M636-M679 HydrophobicContact SD-CB 4.37Å; M636-M679 HydrophobicContact SD-SD 4.12Å; K648-M679 WeakPolarHBondContact CA-O 3.4Å; K648-M679 WeakPolarHBondContact CD-O 3.24Å; I649-M679 PolarHBondContact N-O 3.34Å; D675-M679 VanDerWaalsContact CG-N 3.34Å; D675-M679 PolarHBondContact OD1-N 3.45Å; D675-M679 VanDerWaalsContact OD1-N 3.08Å; D675-M679 PolarHBondContact OD2-N 3.45Å; R677-M679 HydrophobicContact CB-CE 4.16Å; R677-M679 HydrophobicContact CB-CG 3.66Å; R677-M679 HydrophobicContact CB-SD 3.89Å; R677-M679 PolarHBondContact O-N 2.83Å
680	L	91.1	Very high	79	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	-177	-179.7	58.9	0	0	0	110.1	L629 V633 I649 F651 A671 D675 I682	L629-L680 HydrophobicContact CD2-CD1 3.81Å; V633-L680 HydrophobicContact CG2-CD2 4.17Å; I649-L680 HydrophobicContact CB-CD1 4.21Å; I649-L680 HydrophobicContact CG2-CD1 4.01Å; F651-L680 HydrophobicContact CB-CD1 3.9Å; A671-L680 HydrophobicContact CB-CD2 3.85Å; D675-L680 WeakPolarHBondContact OD2-CB 3.26Å; D675-L680 PolarHBondContact OD2-N 3.43Å; L680-I682 HydrophobicContact CD1-CG1 4.16Å; L680-I682 HydrophobicContact CD2-CD1 3.87Å; L680-I682 HydrophobicContact CD2-CG1 4.18Å; L680-I682 HydrophobicContact CG-CD1 4.05Å; L680-I682 HydrophobicContact CG-CG1 3.86Å
681	E	90.4	Very high	76.7	Confident	47 Å²	47	52.6 Å²	52.6	22%	0.22	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.7	173.2	-168.4	171.7	152.4	0	0	108.7	K648 I649 Y650 F651 H683 K756	K648-E681 WeakPolarHBondContact CE-OE2 3.25Å; K648-E681 IonicContact NZ-OE2 2.72Å; I649-E681 PolarHBondContact O-N 2.95Å; Y650-E681 HydrophobicContact CD1-CB 4Å; Y650-E681 HydrophobicContact CD1-CG 4.27Å; Y650-E681 HydrophobicContact CE1-CB 4.19Å; Y650-E681 VanDerWaalsContact CE1-CD 3.47Å; Y650-E681 HydrophobicContact CE1-CG 4.29Å; Y650-E681 WeakPolarHBondContact CE1-OE2 3.32Å; F651-E681 PolarHBondContact N-O 3.4Å; E681-H683 IonicContact OE1-CE1 2.73Å; E681-H683 IonicContact OE1-NE2 2.75Å; E681-H683 PolarHBondContact OE1-NE2 3.23Å; E681-K756 IonicContact OE1-NZ 3.02Å; E681-K756 PolarHBondContact OE1-NZ 2.97Å; E681-K756 IonicContact OE2-NZ 2.66Å
682	I	89.2	Confident	74.3	Confident	6 Å²	6	58 Å²	58	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	-174	-62.7	158.6	0	0	0	110.7	F651 L668 E672 L680 I684 A737 T738	F651-I682 HydrophobicContact CB-CG1 4.3Å; F651-I682 HydrophobicContact CD1-CG1 4.26Å; F651-I682 HydrophobicContact CD1-CG2 4.1Å; F651-I682 CarbonylContact O-C 3.53Å; F651-I682 WeakPolarHBondContact O-CA 3.05Å; L668-I682 HydrophobicContact CB-CD1 4.39Å; L668-I682 HydrophobicContact CD1-CG2 4.3Å; L668-I682 HydrophobicContact CD2-CD1 3.96Å; L668-I682 HydrophobicContact CD2-CG1 4.45Å; E672-I682 HydrophobicContact CG-CD1 3.57Å; E672-I682 WeakPolarHBondContact OE1-CD1 3.37Å; L680-I682 HydrophobicContact CD1-CG1 4.16Å; L680-I682 HydrophobicContact CD2-CD1 3.87Å; L680-I682 HydrophobicContact CD2-CG1 4.18Å; L680-I682 HydrophobicContact CG-CD1 4.05Å; L680-I682 HydrophobicContact CG-CG1 3.86Å; I682-I684 HydrophobicContact CG2-CD1 4.43Å; I682-I684 HydrophobicContact CG2-CG1 3.92Å; I682-A737 HydrophobicContact CB-CB 3.69Å; I682-A737 HydrophobicContact CG2-CB 3.52Å; I682-T738 PolarHBondContact O-N 3.05Å; I682-T738 PolarHBondContact O-OG1 3.33Å
683	H	87.2	Confident	72.5	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.069	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118	172.4	-58	-84.6	0	0	0	109.6	F651 V652 W653 E681 F685 T738 H740	F651-H683 PolarHBondContact O-N 3.39Å; V652-H683 CarbonylContact C-O 3.6Å; V652-H683 WeakPolarHBondContact CA-O 3.14Å; W653-H683 PolarHBondContact N-O 3.33Å; E681-H683 IonicContact OE1-CE1 2.73Å; E681-H683 IonicContact OE1-NE2 2.75Å; E681-H683 PolarHBondContact OE1-NE2 3.23Å; H683-F685 HydrophobicContact CB-CD2 4.39Å; H683-F685 HydrophobicContact CB-CE2 3.74Å; H683-T738 CarbonylContact C-O 3.35Å; H683-T738 WeakPolarHBondContact CA-O 3.43Å; H683-T738 PolarHBondContact ND1-OG1 3.41Å; H683-H740 AromaticContact ND1-NE2 3.58Å
684	I	81.6	Confident	70.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125	178.7	-53.4	-179.3	0	0	0	108.2	W653 Y658 L665 L668 I682 V686 L735 A737 T738 N739 H740	W653-I684 HydrophobicContact CD2-CG2 4.38Å; W653-I684 HydrophobicContact CE3-CB 4.37Å; W653-I684 HydrophobicContact CE3-CD1 4Å; W653-I684 HydrophobicContact CE3-CG1 3.97Å; W653-I684 HydrophobicContact CE3-CG2 3.65Å; W653-I684 HydrophobicContact CZ3-CD1 4.24Å; W653-I684 HydrophobicContact CZ3-CG2 4.08Å; W653-I684 CarbonylContact O-C 3.6Å; W653-I684 WeakPolarHBondContact O-CA 3.23Å; Y658-I684 HydrophobicContact CE1-CG2 4.1Å; L665-I684 HydrophobicContact CD2-CD1 4.13Å; L668-I684 HydrophobicContact CD1-CD1 4.12Å; I682-I684 HydrophobicContact CG2-CD1 4.43Å; I682-I684 HydrophobicContact CG2-CG1 3.92Å; I684-V686 HydrophobicContact CG2-CG2 4.46Å; I684-L735 HydrophobicContact CD1-CD1 4.02Å; I684-A737 HydrophobicContact CD1-CB 4.16Å; I684-A737 HydrophobicContact CG1-CB 4.4Å; I684-T738 PolarHBondContact N-O 2.93Å; I684-N739 WeakPolarHBondContact CB-OD1 3.46Å; I684-N739 CarbonylContact O-C 3.58Å; I684-H740 PolarHBondContact O-N 3.09Å
685	F	77.8	Confident	69.2	Low	20 Å²	20	51 Å²	51	9%	0.088	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.3	179.4	-72.7	-91.7	0	0	0	110.3	V652 W653 I654 C655 H683 H740 P744	V652-F685 HydrophobicContact CG1-CD2 3.75Å; V652-F685 HydrophobicContact CG1-CE2 3.75Å; W653-F685 PolarHBondContact O-N 3.41Å; I654-F685 HydrophobicContact CG1-CB 4.39Å; C655-F685 PolarHBondContact N-O 2.87Å; C655-F685 VanDerWaalsContact O-O 3.08Å; H683-F685 HydrophobicContact CB-CD2 4.39Å; H683-F685 HydrophobicContact CB-CE2 3.74Å; F685-H740 CarbonylContact C-O 3.54Å; F685-H740 WeakPolarHBondContact CA-O 3.4Å; F685-H740 HydrophobicContact CD1-CB 3.39Å; F685-H740 HydrophobicContact CE1-CB 3.38Å; F685-H740 AromaticContact CE1-CG 3.59Å; F685-H740 HydrophobicContact CG-CB 4.02Å; F685-H740 HydrophobicContact CZ-CB 4.03Å; F685-H740 AromaticContact CZ-CD2 3.87Å; F685-H740 AromaticContact CZ-CG 3.78Å; F685-P744 HydrophobicContact CD1-CB 3.64Å; F685-P744 HydrophobicContact CD1-CG 4.33Å; F685-P744 HydrophobicContact CD2-CB 4.06Å; F685-P744 HydrophobicContact CE1-CB 3.6Å; F685-P744 HydrophobicContact CE2-CB 4Å; F685-P744 HydrophobicContact CG-CB 3.88Å; F685-P744 HydrophobicContact CG-CG 4.26Å; F685-P744 HydrophobicContact CZ-CB 3.78Å
686	V	70.6	Confident	67.4	Low	1 Å²	1	54.1 Å²	54.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	103.8	179	-172.7	0	0	0	0	109.7	C655 P656 Y658 I684 Y693 H740 F741 G742	C655-V686 CarbonylContact O-C 3.53Å; C655-V686 WeakPolarHBondContact O-CA 3.3Å; P656-V686 WeakPolarHBondContact O-CG1 3.39Å; Y658-V686 HydrophobicContact CD2-CG2 4.25Å; Y658-V686 HydrophobicContact CE1-CG2 4.03Å; Y658-V686 HydrophobicContact CE2-CG2 3.53Å; Y658-V686 WeakPolarHBondContact OH-CG2 3.14Å; I684-V686 HydrophobicContact CG2-CG2 4.46Å; V686-Y693 HydrophobicContact CG1-CE1 3.99Å; V686-Y693 PolarHBondContact O-OH 3.32Å; V686-H740 PolarHBondContact N-O 3.15Å; V686-F741 HydrophobicContact CB-CD1 4.01Å; V686-F741 HydrophobicContact CB-CE1 4.33Å; V686-F741 HydrophobicContact CG2-CE1 4.43Å; V686-G742 PolarHBondContact O-N 2.93Å
687	T	63.2	Low	65.9	Low	37 Å²	37	46.9 Å²	46.9	23%	0.227	22%	0.22	C	C	.	.			trans	-93.7	-6.8	-165.6	56.1	0	0	0	0	115.9	I654 C655 R743	I654-T687 HydrophobicContact CG2-CG2 3.47Å; I654-T687 VanDerWaalsContact CG2-CG2 3.47Å; C655-T687 PolarHBondContact O-N 2.95Å; C655-T687 PolarHBondContact O-OG1 2.65Å; T687-R743 HydrophobicContact CG2-CG 4.24Å
688	Q	57.6	Low	64.3	Low	44 Å²	44	41 Å²	41	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	-57.4	143.5	175.5	-165.7	110.7	-31	0	0	109.8	P656 K692 Y693	P656-Q688 WeakPolarHBondContact O-CB 3.26Å; P656-Q688 PolarHBondContact O-N 2.78Å; Q688-K692 HydrophobicContact CG-CB 3.7Å; Q688-K692 WeakPolarHBondContact CG-O 3.47Å; Q688-K692 PolarHBondContact NE2-O 3.02Å; Q688-Y693 HydrophobicContact CB-CD1 3.88Å; Q688-Y693 HydrophobicContact CB-CE1 3.71Å; Q688-Y693 HydrophobicContact CG-CD1 4.25Å; Q688-Y693 WeakPolarHBondContact O-CE1 3.23Å; Q688-Y693 PolarHBondContact O-OH 3.07Å
689	L	43.9	Very low	62.6	Low	128 Å²	128	40 Å²	40	67%	0.67	19%	0.192	S	C	*	.			trans	-71.9	150.6	174.7	-69.6	164.9	0	0	0	109.4	N691 K692 Y693	L689-N691 HydrophobicContact CB-CB 4.28Å; L689-N691 PolarHBondContact O-N 3.47Å; L689-K692 PolarHBondContact O-N 3.3Å; L689-Y693 PolarHBondContact O-N 3.15Å
690	F	44.9	Very low	60.7	Low	81 Å²	81	40.3 Å²	40.3	36%	0.355	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-42.7	-38.3	173.1	-62.9	-72.6	0	0	0	113.4	M59 K692 Y693 V701	M59-F690 HydrophobicContact SD-CB 4.37Å; F690-K692 PolarHBondContact O-N 2.87Å; F690-K692 VanDerWaalsContact O-N 3.12Å; F690-Y693 HydrophobicContact CB-CD2 4.17Å; F690-Y693 HydrophobicContact CB-CE2 4.24Å; F690-Y693 AromaticContact CD1-CD2 3.56Å; F690-Y693 HydrophobicContact CD1-CD2 3.56Å; F690-Y693 AromaticContact CD1-CE2 3.21Å; F690-Y693 HydrophobicContact CD1-CE2 3.21Å; F690-Y693 HydrophobicContact CE1-CD2 4.23Å; F690-Y693 AromaticContact CE1-CE2 3.51Å; F690-Y693 HydrophobicContact CE1-CE2 3.51Å; F690-Y693 HydrophobicContact CG-CD2 4.16Å; F690-Y693 AromaticContact CG-CE2 3.81Å; F690-Y693 HydrophobicContact CG-CE2 3.81Å; F690-Y693 HydrophobicContact CZ-CE2 4.39Å; F690-Y693 PolarHBondContact O-N 2.9Å; F690-V701 HydrophobicContact CD1-CB 4.05Å; F690-V701 HydrophobicContact CD1-CG1 3.38Å; F690-V701 HydrophobicContact CD1-CG2 3.9Å; F690-V701 HydrophobicContact CE1-CB 3.79Å; F690-V701 HydrophobicContact CE1-CG1 3.04Å; F690-V701 HydrophobicContact CE1-CG2 3.46Å; F690-V701 VanDerWaalsContact CE1-CG2 3.46Å; F690-V701 HydrophobicContact CZ-CG1 4.03Å
691	N	37.6	Very low	58.6	Low	55 Å²	55	40.3 Å²	40.3	29%	0.294	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.1	-18.7	179.1	-70.7	15.5	0	0	0	115.8	R47 L689	R47-N691 VanDerWaalsContact CZ-O 3.28Å; R47-N691 PolarHBondContact NE-O 3.26Å; R47-N691 PolarHBondContact NH1-ND2 3.24Å; R47-N691 PolarHBondContact NH2-O 3.13Å; L689-N691 HydrophobicContact CB-CB 4.28Å; L689-N691 PolarHBondContact O-N 3.47Å
692	K	40.4	Very low	56.4	Low	114 Å²	114	38.1 Å²	38.1	50%	0.496	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-132.4	18.4	178.4	-62.3	-171.1	171.8	-166.5	0	112.6	Q688 L689 F690	Q688-K692 HydrophobicContact CG-CB 3.7Å; Q688-K692 WeakPolarHBondContact CG-O 3.47Å; Q688-K692 PolarHBondContact NE2-O 3.02Å; L689-K692 PolarHBondContact O-N 3.3Å; F690-K692 PolarHBondContact O-N 2.87Å; F690-K692 VanDerWaalsContact O-N 3.12Å
693	Y	49.4	Very low	54.1	Low	20 Å²	20	40.7 Å²	40.7	8%	0.078	20%	0.197	C	C	.	.			trans	-70.7	136.6	174.6	-82.8	-34.9	0	0	0	109.6	V686 Q688 L689 F690 T697 T698 V701	V686-Y693 HydrophobicContact CG1-CE1 3.99Å; V686-Y693 PolarHBondContact O-OH 3.32Å; Q688-Y693 HydrophobicContact CB-CD1 3.88Å; Q688-Y693 HydrophobicContact CB-CE1 3.71Å; Q688-Y693 HydrophobicContact CG-CD1 4.25Å; Q688-Y693 WeakPolarHBondContact O-CE1 3.23Å; Q688-Y693 PolarHBondContact O-OH 3.07Å; L689-Y693 PolarHBondContact O-N 3.15Å; F690-Y693 HydrophobicContact CB-CD2 4.17Å; F690-Y693 HydrophobicContact CB-CE2 4.24Å; F690-Y693 AromaticContact CD1-CD2 3.56Å; F690-Y693 HydrophobicContact CD1-CD2 3.56Å; F690-Y693 AromaticContact CD1-CE2 3.21Å; F690-Y693 HydrophobicContact CD1-CE2 3.21Å; F690-Y693 HydrophobicContact CE1-CD2 4.23Å; F690-Y693 AromaticContact CE1-CE2 3.51Å; F690-Y693 HydrophobicContact CE1-CE2 3.51Å; F690-Y693 HydrophobicContact CG-CD2 4.16Å; F690-Y693 AromaticContact CG-CE2 3.81Å; F690-Y693 HydrophobicContact CG-CE2 3.81Å; F690-Y693 HydrophobicContact CZ-CE2 4.39Å; F690-Y693 PolarHBondContact O-N 2.9Å; Y693-T697 HydrophobicContact CD1-CG2 3.35Å; Y693-T697 HydrophobicContact CD2-CG2 3.82Å; Y693-T697 HydrophobicContact CE1-CG2 3.68Å; Y693-T697 HydrophobicContact CE2-CG2 4.16Å; Y693-T697 HydrophobicContact CG-CG2 3.5Å; Y693-T697 VanDerWaalsContact CG-CG2 3.5Å; Y693-T698 WeakPolarHBondContact CB-OG1 3.32Å; Y693-T698 PolarHBondContact O-OG1 3.23Å; Y693-V701 HydrophobicContact CD2-CG2 4.22Å; Y693-V701 HydrophobicContact CE2-CG2 4.07Å
694	D	50.9	Low	51.9	Low	35 Å²	35	40.4 Å²	40.4	19%	0.187	20%	0.196	C	C	.	.			trans	-52.3	151.8	166.1	-62.3	-30.9	0	0	0	109	R696 T697 T698	D694-R696 PolarHBondContact O-N 3.43Å; D694-T697 PolarHBondContact O-N 3.23Å; D694-T698 PolarHBondContact O-N 3.08Å; D694-T698 PolarHBondContact O-OG1 3.46Å; D694-T698 VanDerWaalsContact O-OG1 3.12Å
695	L	51.1	Low	49.9	Very low	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-51.2	-36.4	-178	-82.5	93.7	0	0	0	111.5	F46 Y50 F83 A86 L87 F116 T698 M699	F46-L695 HydrophobicContact CD1-CD1 3.66Å; F46-L695 HydrophobicContact CD1-CD2 3.86Å; F46-L695 HydrophobicContact CD1-CG 3.78Å; F46-L695 HydrophobicContact CD2-CD1 3.89Å; F46-L695 HydrophobicContact CE1-CD1 3.51Å; F46-L695 HydrophobicContact CE1-CD2 3.82Å; F46-L695 HydrophobicContact CE1-CG 3.98Å; F46-L695 HydrophobicContact CE2-CD1 3.72Å; F46-L695 HydrophobicContact CG-CD1 3.88Å; F46-L695 HydrophobicContact CG-CG 4.16Å; F46-L695 HydrophobicContact CZ-CD1 3.54Å; F46-L695 HydrophobicContact CZ-CG 4.48Å; Y50-L695 HydrophobicContact CE2-CG 4.31Å; Y50-L695 WeakPolarHBondContact OH-CA 3.35Å; Y50-L695 WeakPolarHBondContact OH-CB 3.33Å; Y50-L695 VanDerWaalsContact OH-CD2 3.24Å; Y50-L695 WeakPolarHBondContact OH-CD2 3.27Å; Y50-L695 WeakPolarHBondContact OH-CG 3.37Å; Y50-L695 PolarHBondContact OH-O 2.98Å; F83-L695 HydrophobicContact CE2-CD2 4.49Å; A86-L695 HydrophobicContact CB-CD1 3.22Å; A86-L695 WeakPolarHBondContact O-CD1 3.46Å; A86-L695 PolarHBondContact O-N 3.46Å; A86-L695 VanDerWaalsContact O-N 3.12Å; L87-L695 HydrophobicContact CD2-CB 3.88Å; L87-L695 HydrophobicContact CD2-CD2 4.37Å; F116-L695 HydrophobicContact CE2-CD2 3.55Å; F116-L695 HydrophobicContact CZ-CD2 3.37Å; F116-L695 HydrophobicContact CZ-CG 4.45Å; L695-T698 PolarHBondContact O-N 3.18Å; L695-M699 WeakPolarHBondContact O-CB 3.48Å; L695-M699 PolarHBondContact O-N 2.95Å
696	R	49.8	Very low	48.1	Very low	87 Å²	87	48.4 Å²	48.4	33%	0.328	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-47.9	178.5	-172.9	177.4	-176.8	-173.8	1.2	112.1	D694 M700 F732	D694-R696 PolarHBondContact O-N 3.43Å; R696-M700 PolarHBondContact O-N 2.96Å; R696-F732 PolarHBondContact NH2-O 3.26Å
697	T	50.6	Low	46.8	Very low	15 Å²	15	51.5 Å²	51.5	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-72.3	-37.6	178.5	-51.5	0	0	0	0	110.9	Y693 D694 M700 V701 F741	Y693-T697 HydrophobicContact CD1-CG2 3.35Å; Y693-T697 HydrophobicContact CD2-CG2 3.82Å; Y693-T697 HydrophobicContact CE1-CG2 3.68Å; Y693-T697 HydrophobicContact CE2-CG2 4.16Å; Y693-T697 HydrophobicContact CG-CG2 3.5Å; Y693-T697 VanDerWaalsContact CG-CG2 3.5Å; D694-T697 PolarHBondContact O-N 3.23Å; T697-M700 WeakPolarHBondContact O-CB 3.4Å; T697-M700 PolarHBondContact O-N 3.07Å; T697-V701 VanDerWaalsContact O-CG2 3.25Å; T697-V701 WeakPolarHBondContact O-CG2 3.46Å; T697-V701 PolarHBondContact O-N 2.65Å; T697-F741 HydrophobicContact CG2-CD1 4.23Å; T697-F741 HydrophobicContact CG2-CE1 3.75Å
698	T	50.6	Low	45.7	Very low	8 Å²	8	54.5 Å²	54.5	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-44.3	177.3	-54.5	0	0	0	0	111.7	Y50 Y693 D694 L695 M700 V701 I702	Y50-T698 HydrophobicContact CD1-CG2 4.37Å; Y50-T698 HydrophobicContact CD2-CG2 3.18Å; Y50-T698 HydrophobicContact CE1-CG2 4.45Å; Y50-T698 HydrophobicContact CE2-CG2 3.29Å; Y50-T698 HydrophobicContact CG-CG2 3.75Å; Y693-T698 WeakPolarHBondContact CB-OG1 3.32Å; Y693-T698 PolarHBondContact O-OG1 3.23Å; D694-T698 PolarHBondContact O-N 3.08Å; D694-T698 PolarHBondContact O-OG1 3.46Å; D694-T698 VanDerWaalsContact O-OG1 3.12Å; L695-T698 PolarHBondContact O-N 3.18Å; T698-M700 PolarHBondContact O-N 2.93Å; T698-V701 PolarHBondContact O-N 3.47Å; T698-I702 HydrophobicContact CG2-CD1 3.3Å; T698-I702 HydrophobicContact CG2-CG1 4.11Å; T698-I702 WeakPolarHBondContact O-CB 3.32Å; T698-I702 WeakPolarHBondContact O-CD1 3.49Å; T698-I702 WeakPolarHBondContact O-CG1 3.39Å; T698-I702 PolarHBondContact O-N 3.46Å
699	M	49.9	Very low	44.8	Very low	93 Å²	93	54.6 Å²	54.6	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-42.5	175.7	-171.5	167	70.4	0	0	111.7	L695 L703	L695-M699 WeakPolarHBondContact O-CB 3.48Å; L695-M699 PolarHBondContact O-N 2.95Å; M699-L703 HydrophobicContact CG-CD1 3.79Å; M699-L703 HydrophobicContact CG-CG 4.35Å; M699-L703 VanDerWaalsContact O-CB 3.3Å; M699-L703 WeakPolarHBondContact O-CB 3.38Å; M699-L703 WeakPolarHBondContact O-CD1 3.18Å; M699-L703 WeakPolarHBondContact O-CG 3.25Å; M699-L703 PolarHBondContact O-N 3.09Å
700	M	47.5	Very low	44.7	Very low	22 Å²	22	53.5 Å²	53.5	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-54.2	174.5	-100.9	-126.9	82.3	0	0	112	R696 T697 T698 I702 T704 C719 F723 F732	R696-M700 PolarHBondContact O-N 2.96Å; T697-M700 WeakPolarHBondContact O-CB 3.4Å; T697-M700 PolarHBondContact O-N 3.07Å; T698-M700 PolarHBondContact O-N 2.93Å; M700-I702 VanDerWaalsContact C-N 3.33Å; M700-I702 PolarHBondContact O-N 2.92Å; M700-T704 PolarHBondContact O-N 3.41Å; M700-T704 PolarHBondContact O-OG1 3.5Å; M700-C719 HydrophobicContact CE-CB 3.68Å; M700-C719 WeakPolarHBondContact CE-SG 3.34Å; M700-F723 HydrophobicContact CE-CD2 3.79Å; M700-F723 HydrophobicContact CE-CE2 4.27Å; M700-F723 HydrophobicContact CE-CG 4.45Å; M700-F732 HydrophobicContact CE-CD2 4.3Å; M700-F732 HydrophobicContact CE-CE2 3.62Å; M700-F732 HydrophobicContact CE-CZ 4.22Å; M700-F732 HydrophobicContact CG-CD2 4.38Å; M700-F732 HydrophobicContact CG-CE1 4Å; M700-F732 HydrophobicContact CG-CE2 3.77Å; M700-F732 HydrophobicContact CG-CZ 3.54Å; M700-F732 HydrophobicContact SD-CD2 3.5Å; M700-F732 WeakPolarHBondContact SD-CD2 3.39Å; M700-F732 HydrophobicContact SD-CE1 4.35Å; M700-F732 HydrophobicContact SD-CE2 3.22Å; M700-F732 WeakPolarHBondContact SD-CE2 3.47Å; M700-F732 HydrophobicContact SD-CG 4.19Å; M700-F732 HydrophobicContact SD-CZ 3.69Å
701	V	46.4	Very low	44.4	Very low	11 Å²	11	59.9 Å²	59.9	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-50.2	-178.4	164.5	0	0	0	0	110.3	F690 Y693 T697 T698 T704 Q705	F690-V701 HydrophobicContact CD1-CB 4.05Å; F690-V701 HydrophobicContact CD1-CG1 3.38Å; F690-V701 HydrophobicContact CD1-CG2 3.9Å; F690-V701 HydrophobicContact CE1-CB 3.79Å; F690-V701 HydrophobicContact CE1-CG1 3.04Å; F690-V701 HydrophobicContact CE1-CG2 3.46Å; F690-V701 VanDerWaalsContact CE1-CG2 3.46Å; F690-V701 HydrophobicContact CZ-CG1 4.03Å; Y693-V701 HydrophobicContact CD2-CG2 4.22Å; Y693-V701 HydrophobicContact CE2-CG2 4.07Å; T697-V701 VanDerWaalsContact O-CG2 3.25Å; T697-V701 WeakPolarHBondContact O-CG2 3.46Å; T697-V701 PolarHBondContact O-N 2.65Å; T698-V701 PolarHBondContact O-N 3.47Å; V701-T704 WeakPolarHBondContact O-CA 3.31Å; V701-T704 VanDerWaalsContact O-CB 3.22Å; V701-T704 WeakPolarHBondContact O-CB 3.39Å; V701-T704 PolarHBondContact O-N 2.87Å; V701-T704 PolarHBondContact O-OG1 3.49Å; V701-T704 VanDerWaalsContact O-OG1 3.09Å; V701-Q705 PolarHBondContact O-N 3.22Å
702	I	44.5	Very low	44.5	Very low	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-77.8	-34.1	-165.2	-54.4	164.2	0	0	0	111.4	Y50 F54 M56 M59 T698 M700 T704 Q705 R706	Y50-I702 HydrophobicContact CD1-CD1 4.05Å; Y50-I702 HydrophobicContact CD2-CD1 4.45Å; Y50-I702 HydrophobicContact CG-CD1 3.84Å; F54-I702 HydrophobicContact CB-CG2 3.69Å; F54-I702 HydrophobicContact CD1-CB 4.36Å; F54-I702 HydrophobicContact CD1-CG2 3.27Å; F54-I702 HydrophobicContact CD2-CB 3.9Å; F54-I702 HydrophobicContact CD2-CD1 3.58Å; F54-I702 HydrophobicContact CD2-CG1 4.28Å; F54-I702 HydrophobicContact CD2-CG2 3.21Å; F54-I702 HydrophobicContact CE1-CB 4.11Å; F54-I702 HydrophobicContact CE1-CG2 3.47Å; F54-I702 VanDerWaalsContact CE1-CG2 3.47Å; F54-I702 HydrophobicContact CE2-CB 3.62Å; F54-I702 HydrophobicContact CE2-CD1 3.45Å; F54-I702 VanDerWaalsContact CE2-CD1 3.45Å; F54-I702 HydrophobicContact CE2-CG1 4.17Å; F54-I702 HydrophobicContact CE2-CG2 3.4Å; F54-I702 VanDerWaalsContact CE2-CG2 3.4Å; F54-I702 HydrophobicContact CG-CB 4.24Å; F54-I702 HydrophobicContact CG-CG2 3.1Å; F54-I702 HydrophobicContact CZ-CB 3.72Å; F54-I702 HydrophobicContact CZ-CD1 4.37Å; F54-I702 HydrophobicContact CZ-CG2 3.53Å; M56-I702 HydrophobicContact CE-CB 4.5Å; M56-I702 HydrophobicContact CE-CG1 4.27Å; M56-I702 HydrophobicContact CE-CG2 3.47Å; M56-I702 VanDerWaalsContact CE-CG2 3.47Å; M59-I702 HydrophobicContact CE-CD1 3.34Å; M59-I702 HydrophobicContact CE-CG1 3.75Å; M59-I702 HydrophobicContact SD-CG1 4.47Å; T698-I702 HydrophobicContact CG2-CD1 3.3Å; T698-I702 HydrophobicContact CG2-CG1 4.11Å; T698-I702 WeakPolarHBondContact O-CB 3.32Å; T698-I702 WeakPolarHBondContact O-CD1 3.49Å; T698-I702 WeakPolarHBondContact O-CG1 3.39Å; T698-I702 PolarHBondContact O-N 3.46Å; M700-I702 VanDerWaalsContact C-N 3.33Å; M700-I702 PolarHBondContact O-N 2.92Å; I702-T704 PolarHBondContact O-N 3.29Å; I702-Q705 PolarHBondContact O-N 3.25Å; I702-Q705 VanDerWaalsContact O-N 3.1Å; I702-R706 PolarHBondContact O-N 2.95Å
703	L	41.7	Very low	44.3	Very low	59 Å²	59	62.3 Å²	62.3	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-58.2	-31.6	168.2	-72.2	172.9	0	0	0	111.4	M699	M699-L703 HydrophobicContact CG-CD1 3.79Å; M699-L703 HydrophobicContact CG-CG 4.35Å; M699-L703 VanDerWaalsContact O-CB 3.3Å; M699-L703 WeakPolarHBondContact O-CB 3.38Å; M699-L703 WeakPolarHBondContact O-CD1 3.18Å; M699-L703 WeakPolarHBondContact O-CG 3.25Å; M699-L703 PolarHBondContact O-N 3.09Å
704	T	40.2	Very low	43.7	Very low	9 Å²	9	67.8 Å²	67.8	6%	0.055	34%	0.344	C	S	.	.	H	α-helix	trans	-70.7	-45.6	172.8	-21.7	0	0	0	0	112.2	M700 V701 I702 R706 I707 Y715 C719	M700-T704 PolarHBondContact O-N 3.41Å; M700-T704 PolarHBondContact O-OG1 3.5Å; V701-T704 WeakPolarHBondContact O-CA 3.31Å; V701-T704 VanDerWaalsContact O-CB 3.22Å; V701-T704 WeakPolarHBondContact O-CB 3.39Å; V701-T704 PolarHBondContact O-N 2.87Å; V701-T704 PolarHBondContact O-OG1 3.49Å; V701-T704 VanDerWaalsContact O-OG1 3.09Å; I702-T704 PolarHBondContact O-N 3.29Å; T704-R706 VanDerWaalsContact C-N 3.33Å; T704-R706 PolarHBondContact O-N 2.79Å; T704-I707 PolarHBondContact O-N 2.87Å; T704-Y715 HydrophobicContact CG2-CD1 4.03Å; T704-Y715 WeakPolarHBondContact O-CD1 3.47Å; T704-Y715 VanDerWaalsContact O-CE1 3.25Å; T704-Y715 WeakPolarHBondContact O-CE1 3.43Å; T704-C719 HydrophobicContact CG2-CB 3.41Å; T704-C719 VanDerWaalsContact CG2-CB 3.41Å; T704-C719 VanDerWaalsContact CG2-SG 3.54Å; T704-C719 WeakPolarHBondContact OG1-CB 3.35Å; T704-C719 PolarHBondContact OG1-SG 3.31Å
705	Q	38.9	Very low	43	Very low	49 Å²	49	67 Å²	67	23%	0.229	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-40.9	-172.9	-95.1	179.6	-30.3	0	0	112.8	M56 V701 I702 I707 Y715	M56-Q705 HydrophobicContact SD-CB 4.47Å; M56-Q705 PolarHBondContact SD-OE1 2.93Å; V701-Q705 PolarHBondContact O-N 3.22Å; I702-Q705 PolarHBondContact O-N 3.25Å; I702-Q705 VanDerWaalsContact O-N 3.1Å; Q705-I707 VanDerWaalsContact C-N 3.31Å; Q705-I707 PolarHBondContact O-N 3.41Å; Q705-Y715 HydrophobicContact CB-CE1 4.48Å; Q705-Y715 HydrophobicContact CG-CE1 4.44Å; Q705-Y715 WeakPolarHBondContact O-CE1 3.29Å; Q705-Y715 PolarHBondContact O-OH 2.78Å
706	R	40.1	Very low	42.5	Very low	140 Å²	140	69.2 Å²	69.2	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-71.5	-20.3	-175.9	-165.3	164.3	175.2	120.9	-6.6	114.3	N125 I702 T704	N125-R706 PolarHBondContact OD1-NE 3.47Å; N125-R706 VanDerWaalsContact OD1-NE 3.1Å; N125-R706 PolarHBondContact OD1-NH1 2.8Å; N125-R706 PolarHBondContact OD1-NH2 3.48Å; I702-R706 PolarHBondContact O-N 2.95Å; T704-R706 VanDerWaalsContact C-N 3.33Å; T704-R706 PolarHBondContact O-N 2.79Å
707	I	43.1	Very low	41.9	Very low	65 Å²	65	70 Å²	70	33%	0.333	35%	0.352	S	S	.	.	H	α-helix	trans	-83.3	-30.8	-179.4	-57.9	173.5	0	0	0	112	T704 Q705	T704-I707 PolarHBondContact O-N 2.87Å; Q705-I707 VanDerWaalsContact C-N 3.31Å; Q705-I707 PolarHBondContact O-N 3.41Å
708	Y	40.1	Very low	41.3	Very low	100 Å²	100	70.5 Å²	70.5	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-120	1.5	-165.6	-62.6	-89	0	0	0	118.4	Y715 I718 H722	Y708-Y715 HydrophobicContact CG-CE1 4.44Å; Y708-I718 HydrophobicContact CD1-CD1 3.97Å; Y708-I718 HydrophobicContact CD2-CD1 4.42Å; Y708-I718 HydrophobicContact CD2-CG2 3.79Å; Y708-I718 HydrophobicContact CE1-CD1 4.09Å; Y708-I718 HydrophobicContact CE1-CG2 4.2Å; Y708-I718 HydrophobicContact CE2-CG2 3.23Å; Y708-I718 HydrophobicContact CG-CD1 4.14Å; Y708-I718 HydrophobicContact CG-CG2 4.49Å; Y708-I718 VanDerWaalsContact CZ-CG2 3.46Å; Y708-H722 PolarHBondContact OH-CE1 3.27Å; Y708-H722 PolarHBondContact OH-NE2 3.41Å
709	G	40.2	Very low	40.8	Very low	46 Å²	46	70.4 Å²	70.4	47%	0.474	35%	0.354	S	S	.	.			trans	65.7	149.6	177	0	0	0	0	0	116.8	R711 Y715	G709-R711 VanDerWaalsContact C-N 3.3Å; G709-R711 PolarHBondContact O-N 3.16Å; G709-Y715 WeakPolarHBondContact CA-OH 3.26Å; G709-Y715 PolarHBondContact N-OH 3.07Å; G709-Y715 WeakPolarHBondContact O-CE2 3.29Å; G709-Y715 PolarHBondContact O-OH 2.86Å
710	A	40.3	Very low	40.7	Very low	106 Å²	106	66.6 Å²	66.6	88%	0.876	34%	0.335	S	S	*	.	S	Bend	trans	-48.2	24.9	-156.9	0	0	0	0	0	123	A712 Y715	A710-A712 PolarHBondContact O-N 2.63Å; A710-Y715 PolarHBondContact N-OH 2.74Å
711	R	38.7	Very low	40.6	Very low	215 Å²	215	71.5 Å²	71.5	81%	0.811	36%	0.355	S	S	*	.			trans	-93.9	87.9	172.8	-76	-173.9	176.6	128.9	-0.6	112.6	G709 F713 H714 Y715	G709-R711 VanDerWaalsContact C-N 3.3Å; G709-R711 PolarHBondContact O-N 3.16Å; R711-F713 PolarHBondContact O-N 3.31Å; R711-H714 PolarHBondContact O-N 3.28Å; R711-H714 VanDerWaalsContact O-N 3.14Å; R711-Y715 WeakPolarHBondContact O-CD2 3.17Å; R711-Y715 WeakPolarHBondContact O-CE2 3.38Å
712	A	39.4	Very low	40.5	Very low	74 Å²	74	74.9 Å²	74.9	61%	0.612	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-20.9	-174	0	0	0	0	0	117.8	A710	A710-A712 PolarHBondContact O-N 2.63Å
713	F	37.7	Very low	40.6	Very low	146 Å²	146	77 Å²	77	64%	0.64	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-23.7	-178	-113.5	-92.8	0	0	0	114.7	R711	R711-F713 PolarHBondContact O-N 3.31Å
714	H	35.5	Very low	41	Very low	134 Å²	134	77.8 Å²	77.8	62%	0.62	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.1	-177.1	-127.3	-144	0	0	0	113.1	R711 I718	R711-H714 PolarHBondContact O-N 3.28Å; R711-H714 VanDerWaalsContact O-N 3.14Å; H714-I718 WeakPolarHBondContact O-CD1 3.46Å; H714-I718 WeakPolarHBondContact O-CG1 3.45Å
715	Y	36.2	Very low	41.4	Very low	20 Å²	20	79.8 Å²	79.8	8%	0.078	39%	0.388	C	S	.	.	H	α-helix	trans	-74.6	-29.9	-172.5	-73.9	-79.8	0	0	0	114.9	T704 Q705 Y708 G709 A710 R711 Y717 I718 C719	T704-Y715 HydrophobicContact CG2-CD1 4.03Å; T704-Y715 WeakPolarHBondContact O-CD1 3.47Å; T704-Y715 VanDerWaalsContact O-CE1 3.25Å; T704-Y715 WeakPolarHBondContact O-CE1 3.43Å; Q705-Y715 HydrophobicContact CB-CE1 4.48Å; Q705-Y715 HydrophobicContact CG-CE1 4.44Å; Q705-Y715 WeakPolarHBondContact O-CE1 3.29Å; Q705-Y715 PolarHBondContact O-OH 2.78Å; Y708-Y715 HydrophobicContact CG-CE1 4.44Å; G709-Y715 WeakPolarHBondContact CA-OH 3.26Å; G709-Y715 PolarHBondContact N-OH 3.07Å; G709-Y715 WeakPolarHBondContact O-CE2 3.29Å; G709-Y715 PolarHBondContact O-OH 2.86Å; A710-Y715 PolarHBondContact N-OH 2.74Å; R711-Y715 WeakPolarHBondContact O-CD2 3.17Å; R711-Y715 WeakPolarHBondContact O-CE2 3.38Å; Y715-Y717 PolarHBondContact O-N 3.43Å; Y715-I718 PolarHBondContact O-N 3.1Å; Y715-C719 PolarHBondContact O-N 3.3Å
716	Q	41.3	Very low	42.1	Very low	54 Å²	54	81.1 Å²	81.1	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-40.3	-172.1	-76.8	171.8	-2.4	0	0	112.6	F741	Q716-F741 VanDerWaalsContact CD-O 3.23Å; Q716-F741 HydrophobicContact CG-CB 4.21Å; Q716-F741 HydrophobicContact CG-CD2 4.44Å; Q716-F741 PolarHBondContact NE2-O 3.1Å; Q716-F741 PolarHBondContact OE1-O 3.47Å
717	Y	38.1	Very low	42.8	Very low	103 Å²	103	81.2 Å²	81.2	40%	0.404	42%	0.422	S	S	.	.	H	α-helix	trans	-74.4	-31.4	179.4	-172.4	-106.6	0	0	0	112.7	S229 Y715 K721	S229-Y717 WeakPolarHBondContact OG-CE1 3.32Å; S229-Y717 PolarHBondContact OG-OH 3.45Å; Y715-Y717 PolarHBondContact O-N 3.43Å; Y717-K721 HydrophobicContact CE1-CD 3.82Å; Y717-K721 WeakPolarHBondContact O-CB 3.24Å; Y717-K721 PolarHBondContact O-N 3.35Å; Y717-K721 VanDerWaalsContact O-N 3.08Å
718	I	36.2	Very low	43.7	Very low	26 Å²	26	79.2 Å²	79.2	13%	0.133	42%	0.417	C	S	.	.	H	α-helix	trans	-74.8	-44.4	-171.3	-68.8	176.4	0	0	0	111.2	Y708 H714 Y715 E720 K721 H722	Y708-I718 HydrophobicContact CD1-CD1 3.97Å; Y708-I718 HydrophobicContact CD2-CD1 4.42Å; Y708-I718 HydrophobicContact CD2-CG2 3.79Å; Y708-I718 HydrophobicContact CE1-CD1 4.09Å; Y708-I718 HydrophobicContact CE1-CG2 4.2Å; Y708-I718 HydrophobicContact CE2-CG2 3.23Å; Y708-I718 HydrophobicContact CG-CD1 4.14Å; Y708-I718 HydrophobicContact CG-CG2 4.49Å; Y708-I718 VanDerWaalsContact CZ-CG2 3.46Å; H714-I718 WeakPolarHBondContact O-CD1 3.46Å; H714-I718 WeakPolarHBondContact O-CG1 3.45Å; Y715-I718 PolarHBondContact O-N 3.1Å; I718-E720 VanDerWaalsContact C-N 3.27Å; I718-E720 PolarHBondContact O-N 3.26Å; I718-K721 PolarHBondContact O-N 3.22Å; I718-H722 VanDerWaalsContact CG2-CE1 3.48Å; I718-H722 WeakPolarHBondContact CG2-CE1 3.47Å; I718-H722 WeakPolarHBondContact CG2-ND1 3.32Å; I718-H722 PolarHBondContact O-N 3.42Å; I718-H722 PolarHBondContact O-ND1 3.36Å
719	C	40.4	Very low	44.7	Very low	6 Å²	6	77.8 Å²	77.8	4%	0.041	41%	0.41	C	S	.	.	H	α-helix	trans	-67.6	-32.7	178	-129.4	0	0	0	0	112.4	M700 T704 Y715 K721 F723	M700-C719 HydrophobicContact CE-CB 3.68Å; M700-C719 WeakPolarHBondContact CE-SG 3.34Å; T704-C719 HydrophobicContact CG2-CB 3.41Å; T704-C719 VanDerWaalsContact CG2-CB 3.41Å; T704-C719 VanDerWaalsContact CG2-SG 3.54Å; T704-C719 WeakPolarHBondContact OG1-CB 3.35Å; T704-C719 PolarHBondContact OG1-SG 3.31Å; Y715-C719 PolarHBondContact O-N 3.3Å; C719-K721 VanDerWaalsContact C-N 3.33Å; C719-F723 WeakPolarHBondContact O-CD2 3.44Å; C719-F723 PolarHBondContact O-N 3.01Å
720	E	47.8	Very low	45.4	Very low	12 Å²	12	75.9 Å²	75.9	6%	0.056	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-41.8	174	-151	-167.1	168.5	0	0	111.4	I718 R724 T738 N739	I718-E720 VanDerWaalsContact C-N 3.27Å; I718-E720 PolarHBondContact O-N 3.26Å; E720-R724 WeakPolarHBondContact O-CG 3.48Å; E720-R724 PolarHBondContact O-N 3.46Å; E720-R724 IonicContact OE1-CZ 3.78Å; E720-R724 IonicContact OE1-NE 2.63Å; E720-R724 IonicContact OE1-NH2 3.12Å; E720-R724 PolarHBondContact OE1-NH2 3.28Å; E720-R724 IonicContact OE2-NH2 2.75Å; E720-R724 PolarHBondContact OE2-NH2 2.7Å; E720-T738 WeakPolarHBondContact OE1-CA 3.15Å; E720-N739 HydrophobicContact CG-CB 4.46Å; E720-N739 PolarHBondContact OE1-N 2.76Å; E720-N739 PolarHBondContact OE2-N 2.77Å
721	K	44.9	Very low	45.9	Very low	125 Å²	125	72 Å²	72	54%	0.543	35%	0.354	S	S	.	.	H	α-helix	trans	-72.3	-28.6	-179.2	-157.7	174.9	-175.6	175.6	0	113.9	Y717 I718 C719	Y717-K721 HydrophobicContact CE1-CD 3.82Å; Y717-K721 WeakPolarHBondContact O-CB 3.24Å; Y717-K721 PolarHBondContact O-N 3.35Å; Y717-K721 VanDerWaalsContact O-N 3.08Å; I718-K721 PolarHBondContact O-N 3.22Å; C719-K721 VanDerWaalsContact C-N 3.33Å
722	H	44.4	Very low	46.5	Very low	83 Å²	83	64.4 Å²	64.4	38%	0.384	33%	0.327	S	S	.	.	H	α-helix	trans	-83.7	-19.6	179.7	-73.3	78.9	0	0	0	113.9	Y708 I718	Y708-H722 PolarHBondContact OH-CE1 3.27Å; Y708-H722 PolarHBondContact OH-NE2 3.41Å; I718-H722 VanDerWaalsContact CG2-CE1 3.48Å; I718-H722 WeakPolarHBondContact CG2-CE1 3.47Å; I718-H722 WeakPolarHBondContact CG2-ND1 3.32Å; I718-H722 PolarHBondContact O-N 3.42Å; I718-H722 PolarHBondContact O-ND1 3.36Å
723	F	47.5	Very low	47.5	Very low	46 Å²	46	61.2 Å²	61.2	20%	0.202	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	33.2	178	-67.5	-80.8	0	0	0	112	M700 C719 M731 F732	M700-F723 HydrophobicContact CE-CD2 3.79Å; M700-F723 HydrophobicContact CE-CE2 4.27Å; M700-F723 HydrophobicContact CE-CG 4.45Å; C719-F723 WeakPolarHBondContact O-CD2 3.44Å; C719-F723 PolarHBondContact O-N 3.01Å; F723-M731 HydrophobicContact CB-CB 4.3Å; F723-M731 HydrophobicContact CD1-SD 3.97Å; F723-M731 WeakPolarHBondContact O-CB 3.24Å; F723-M731 PolarHBondContact O-N 3.48Å; F723-F732 HydrophobicContact CB-CE2 3.96Å; F723-F732 HydrophobicContact CD1-CE2 4.5Å; F723-F732 HydrophobicContact CG-CE2 4.15Å
724	R	49.8	Very low	48.7	Very low	75 Å²	75	55.4 Å²	55.4	28%	0.283	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.1	167	-55.8	-157.2	165.3	-156.7	1.6	110	E720 G728 R729	E720-R724 WeakPolarHBondContact O-CG 3.48Å; E720-R724 PolarHBondContact O-N 3.46Å; E720-R724 IonicContact OE1-CZ 3.78Å; E720-R724 IonicContact OE1-NE 2.63Å; E720-R724 IonicContact OE1-NH2 3.12Å; E720-R724 PolarHBondContact OE1-NH2 3.28Å; E720-R724 IonicContact OE2-NH2 2.75Å; E720-R724 PolarHBondContact OE2-NH2 2.7Å; R724-G728 WeakPolarHBondContact CD-O 3.1Å; R724-G728 PolarHBondContact NH1-O 2.89Å; R724-R729 CarbonylContact C-O 3.59Å; R724-R729 WeakPolarHBondContact CA-O 3.15Å; R724-R729 WeakPolarHBondContact CB-O 3.3Å
725	I	49.9	Very low	50.3	Low	50 Å²	50	49 Å²	49	26%	0.256	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.7	174.6	-58	172.4	0	0	0	108	T165 E727 R729 M731	T165-I725 HydrophobicContact CG2-CD1 3.95Å; I725-E727 PolarHBondContact O-N 3.22Å; I725-R729 PolarHBondContact N-O 2.97Å; I725-R729 PolarHBondContact O-N 3.17Å; I725-M731 HydrophobicContact CD1-CB 3.82Å; I725-M731 HydrophobicContact CD1-CG 3.67Å; I725-M731 HydrophobicContact CD1-SD 4.3Å; I725-M731 HydrophobicContact CG1-CB 4.05Å; I725-M731 HydrophobicContact CG1-CG 4.33Å
726	G	51.7	Low	52.2	Low	77 Å²	77	52.6 Å²	52.6	79%	0.794	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-128.8	169.8	0	0	0	0	0	114.7	G728	G726-G728 PolarHBondContact O-N 3.3Å
727	E	56.4	Low	53.8	Low	143 Å²	143	50.2 Å²	50.2	67%	0.668	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	25	-177.6	-59.8	-170.4	159.1	0	0	115.9	I725 K736	I725-E727 PolarHBondContact O-N 3.22Å; E727-K736 WeakPolarHBondContact OE2-CE 3.49Å; E727-K736 IonicContact OE2-NZ 2.93Å; E727-K736 PolarHBondContact OE2-NZ 3.07Å
728	G	60.6	Low	55.5	Low	22 Å²	22	46.9 Å²	46.9	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	25.4	-178.2	0	0	0	0	0	113.7	R724 G726	R724-G728 WeakPolarHBondContact CD-O 3.1Å; R724-G728 PolarHBondContact NH1-O 2.89Å; G726-G728 PolarHBondContact O-N 3.3Å
729	R	62.3	Low	57.1	Low	70 Å²	70	45.9 Å²	45.9	26%	0.264	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.5	174.1	-62.5	-172.3	-173.5	-157.7	-1.9	110.6	R724 I725 N734 L735 K736	R724-R729 CarbonylContact C-O 3.59Å; R724-R729 WeakPolarHBondContact CA-O 3.15Å; R724-R729 WeakPolarHBondContact CB-O 3.3Å; I725-R729 PolarHBondContact N-O 2.97Å; I725-R729 PolarHBondContact O-N 3.17Å; R729-N734 VanDerWaalsContact CD-OD1 3.22Å; R729-N734 WeakPolarHBondContact CD-OD1 2.97Å; R729-L735 CarbonylContact C-O 3.54Å; R729-L735 WeakPolarHBondContact CA-O 3.36Å; R729-K736 HydrophobicContact CG-CG 3.94Å
730	S	54.5	Low	58.5	Low	6 Å²	6	47 Å²	47	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.7	174.3	178.6	0	0	0	0	110.8	F732 T733 N734 L735 N739	S730-F732 PolarHBondContact O-N 2.81Å; S730-F732 VanDerWaalsContact O-N 3.11Å; S730-F732 PolarHBondContact OG-N 3.01Å; S730-T733 WeakPolarHBondContact CB-OG1 3.32Å; S730-N734 WeakPolarHBondContact O-CA 3.2Å; S730-N734 PolarHBondContact O-N 3.34Å; S730-L735 PolarHBondContact N-O 3.48Å; S730-N739 PolarHBondContact OG-ND2 3.42Å
731	M	50.9	Low	59.2	Low	24 Å²	24	47.6 Å²	47.6	12%	0.118	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.4	174.6	-179.1	172.3	-169.5	0	0	113.9	A163 L209 F723 I725	A163-M731 CarbonylContact C-O 3.6Å; A163-M731 HydrophobicContact CB-CE 3.51Å; A163-M731 HydrophobicContact CB-CG 4.03Å; L209-M731 HydrophobicContact CD2-CE 3.94Å; F723-M731 HydrophobicContact CB-CB 4.3Å; F723-M731 HydrophobicContact CD1-SD 3.97Å; F723-M731 WeakPolarHBondContact O-CB 3.24Å; F723-M731 PolarHBondContact O-N 3.48Å; I725-M731 HydrophobicContact CD1-CB 3.82Å; I725-M731 HydrophobicContact CD1-CG 3.67Å; I725-M731 HydrophobicContact CD1-SD 4.3Å; I725-M731 HydrophobicContact CG1-CB 4.05Å; I725-M731 HydrophobicContact CG1-CG 4.33Å
732	F	50.8	Low	59.9	Low	57 Å²	57	42.7 Å²	42.7	25%	0.25	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-37.3	-174.2	-65.5	-81.4	0	0	0	113.2	R696 M700 F723 S730	R696-F732 PolarHBondContact NH2-O 3.26Å; M700-F732 HydrophobicContact CE-CD2 4.3Å; M700-F732 HydrophobicContact CE-CE2 3.62Å; M700-F732 HydrophobicContact CE-CZ 4.22Å; M700-F732 HydrophobicContact CG-CD2 4.38Å; M700-F732 HydrophobicContact CG-CE1 4Å; M700-F732 HydrophobicContact CG-CE2 3.77Å; M700-F732 HydrophobicContact CG-CZ 3.54Å; M700-F732 HydrophobicContact SD-CD2 3.5Å; M700-F732 WeakPolarHBondContact SD-CD2 3.39Å; M700-F732 HydrophobicContact SD-CE1 4.35Å; M700-F732 HydrophobicContact SD-CE2 3.22Å; M700-F732 WeakPolarHBondContact SD-CE2 3.47Å; M700-F732 HydrophobicContact SD-CG 4.19Å; M700-F732 HydrophobicContact SD-CZ 3.69Å; F723-F732 HydrophobicContact CB-CE2 3.96Å; F723-F732 HydrophobicContact CD1-CE2 4.5Å; F723-F732 HydrophobicContact CG-CE2 4.15Å; S730-F732 PolarHBondContact O-N 2.81Å; S730-F732 VanDerWaalsContact O-N 3.11Å; S730-F732 PolarHBondContact OG-N 3.01Å
733	T	59.7	Low	60.7	Low	6 Å²	6	49.2 Å²	49.2	4%	0.037	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-16.6	-179.9	55.5	0	0	0	0	112.6	Y658 L665 R669 S730 L735	Y658-T733 HydrophobicContact CD1-CG2 4.39Å; Y658-T733 HydrophobicContact CE1-CG2 3.87Å; L665-T733 HydrophobicContact CD1-CG2 4.3Å; L665-T733 HydrophobicContact CD2-CG2 3.99Å; R669-T733 PolarHBondContact NH2-O 3.42Å; R669-T733 VanDerWaalsContact NH2-O 3.07Å; S730-T733 WeakPolarHBondContact CB-OG1 3.32Å; T733-L735 PolarHBondContact O-N 2.91Å
734	N	63.6	Low	62.1	Low	24 Å²	24	48.1 Å²	48.1	13%	0.128	25%	0.247	C	C	.	.			trans	52.6	39.3	-168.3	-166.4	9.3	0	0	0	111.9	G164 R729 S730	G164-N734 WeakPolarHBondContact O-CB 3.38Å; G164-N734 PolarHBondContact O-ND2 2.9Å; R729-N734 VanDerWaalsContact CD-OD1 3.22Å; R729-N734 WeakPolarHBondContact CD-OD1 2.97Å; S730-N734 WeakPolarHBondContact O-CA 3.2Å; S730-N734 PolarHBondContact O-N 3.34Å
735	L	70.2	Confident	63.6	Low	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-116.3	149.8	176.2	-63.5	174.7	0	0	0	109.9	L665 L668 R669 E672 I684 R729 S730 T733 A737	L665-L735 HydrophobicContact CD2-CD1 3.79Å; L668-L735 HydrophobicContact CB-CD1 3.96Å; L668-L735 HydrophobicContact CB-CD2 4.14Å; L668-L735 HydrophobicContact CD1-CD1 4.17Å; R669-L735 HydrophobicContact CB-CD2 3.62Å; R669-L735 HydrophobicContact CG-CD2 4.2Å; E672-L735 WeakPolarHBondContact OE2-CA 3.23Å; I684-L735 HydrophobicContact CD1-CD1 4.02Å; R729-L735 CarbonylContact C-O 3.54Å; R729-L735 WeakPolarHBondContact CA-O 3.36Å; S730-L735 PolarHBondContact N-O 3.48Å; T733-L735 PolarHBondContact O-N 2.91Å; L735-A737 HydrophobicContact CB-CB 3.72Å; L735-A737 HydrophobicContact CD1-CB 4.24Å
736	K	74.4	Confident	65.3	Low	96 Å²	96	45.9 Å²	45.9	42%	0.417	24%	0.242	S	C	.	.	S	Bend	trans	-71.4	-19.7	167.6	-66	-177.5	176.5	-178.5	0	111.5	E672 E727 R729	E672-K736 PolarHBondContact OE1-N 3.37Å; E672-K736 PolarHBondContact OE2-N 3.18Å; E727-K736 WeakPolarHBondContact OE2-CE 3.49Å; E727-K736 IonicContact OE2-NZ 2.93Å; E727-K736 PolarHBondContact OE2-NZ 3.07Å; R729-K736 HydrophobicContact CG-CG 3.94Å
737	A	75.8	Confident	66.9	Low	3 Å²	3	46.2 Å²	46.2	3%	0.025	22%	0.223	C	C	.	.	S	Bend	trans	-42.4	143.4	172.9	0	0	0	0	0	113.7	E672 I682 I684 L735	E672-A737 WeakPolarHBondContact OE1-CA 3.27Å; E672-A737 WeakPolarHBondContact OE1-CB 3.38Å; E672-A737 PolarHBondContact OE1-N 3.21Å; I682-A737 HydrophobicContact CB-CB 3.69Å; I682-A737 HydrophobicContact CG2-CB 3.52Å; I684-A737 HydrophobicContact CD1-CB 4.16Å; I684-A737 HydrophobicContact CG1-CB 4.4Å; L735-A737 HydrophobicContact CB-CB 3.72Å; L735-A737 HydrophobicContact CD1-CB 4.24Å
738	T	74.4	Confident	68.1	Low	33 Å²	33	39.7 Å²	39.7	20%	0.202	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.3	174.7	63.7	0	0	0	0	111.8	I682 H683 I684 E720 H740	I682-T738 PolarHBondContact O-N 3.05Å; I682-T738 PolarHBondContact O-OG1 3.33Å; H683-T738 CarbonylContact C-O 3.35Å; H683-T738 WeakPolarHBondContact CA-O 3.43Å; H683-T738 PolarHBondContact ND1-OG1 3.41Å; I684-T738 PolarHBondContact N-O 2.93Å; E720-T738 WeakPolarHBondContact OE1-CA 3.15Å; T738-H740 PolarHBondContact O-CD2 3.08Å; T738-H740 PolarHBondContact OG1-NE2 3.3Å
739	N	69.3	Low	69.3	Low	6 Å²	6	39 Å²	39	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.7	176.7	-70.2	-56.2	0	0	0	111.3	Y658 I684 E720 S730	Y658-N739 PolarHBondContact OH-OD1 3.25Å; I684-N739 WeakPolarHBondContact CB-OD1 3.46Å; I684-N739 CarbonylContact O-C 3.58Å; E720-N739 HydrophobicContact CG-CB 4.46Å; E720-N739 PolarHBondContact OE1-N 2.76Å; E720-N739 PolarHBondContact OE2-N 2.77Å; S730-N739 PolarHBondContact OG-ND2 3.42Å
740	H	69.3	Low	70.6	Confident	30 Å²	30	35.7 Å²	35.7	14%	0.139	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.9	178.3	-59.3	-88.4	0	0	0	109.3	H683 I684 F685 V686 T738	H683-H740 AromaticContact ND1-NE2 3.58Å; I684-H740 PolarHBondContact O-N 3.09Å; F685-H740 CarbonylContact C-O 3.54Å; F685-H740 WeakPolarHBondContact CA-O 3.4Å; F685-H740 HydrophobicContact CD1-CB 3.39Å; F685-H740 HydrophobicContact CE1-CB 3.38Å; F685-H740 AromaticContact CE1-CG 3.59Å; F685-H740 HydrophobicContact CG-CB 4.02Å; F685-H740 HydrophobicContact CZ-CB 4.03Å; F685-H740 AromaticContact CZ-CD2 3.87Å; F685-H740 AromaticContact CZ-CG 3.78Å; V686-H740 PolarHBondContact N-O 3.15Å; T738-H740 PolarHBondContact O-CD2 3.08Å; T738-H740 PolarHBondContact OG1-NE2 3.3Å
741	F	63.4	Low	72.1	Confident	23 Å²	23	37.5 Å²	37.5	10%	0.101	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.1	175.9	-62	-80.9	0	0	0	110.4	V686 T697 Q716	V686-F741 HydrophobicContact CB-CD1 4.01Å; V686-F741 HydrophobicContact CB-CE1 4.33Å; V686-F741 HydrophobicContact CG2-CE1 4.43Å; T697-F741 HydrophobicContact CG2-CD1 4.23Å; T697-F741 HydrophobicContact CG2-CE1 3.75Å; Q716-F741 VanDerWaalsContact CD-O 3.23Å; Q716-F741 HydrophobicContact CG-CB 4.21Å; Q716-F741 HydrophobicContact CG-CD2 4.44Å; Q716-F741 PolarHBondContact NE2-O 3.1Å; Q716-F741 PolarHBondContact OE1-O 3.47Å
742	G	58.6	Low	73.6	Confident	23 Å²	23	37.3 Å²	37.3	24%	0.237	18%	0.181	C	C	.	.	S	Bend	trans	77.5	-169.7	-175.4	0	0	0	0	0	114	V686	V686-G742 PolarHBondContact O-N 2.93Å
743	R	62.7	Low	75.4	Confident	219 Å²	219	34.8 Å²	34.8	83%	0.826	17%	0.17	S	C	*	.	S	Bend	trans	-80.9	138.3	-173.3	-64.2	-177.3	-179.4	-165.5	0.8	110.7	T687 N745	T687-R743 HydrophobicContact CG2-CG 4.24Å; R743-N745 PolarHBondContact O-N 3.12Å
744	P	76.9	Confident	76.6	Confident	23 Å²	23	35.9 Å²	35.9	15%	0.149	17%	0.174	C	C	.	.			trans	-64.1	133	177.8	24.9	-32.9	0	0	0	111.3	I654 F685 L746	I654-P744 HydrophobicContact CD1-CG 3.62Å; I654-P744 HydrophobicContact CG1-CG 4.01Å; F685-P744 HydrophobicContact CD1-CB 3.64Å; F685-P744 HydrophobicContact CD1-CG 4.33Å; F685-P744 HydrophobicContact CD2-CB 4.06Å; F685-P744 HydrophobicContact CE1-CB 3.6Å; F685-P744 HydrophobicContact CE2-CB 4Å; F685-P744 HydrophobicContact CG-CB 3.88Å; F685-P744 HydrophobicContact CG-CG 4.26Å; F685-P744 HydrophobicContact CZ-CB 3.78Å; P744-L746 VanDerWaalsContact C-N 3.25Å; P744-L746 HydrophobicContact CB-CD2 4.06Å; P744-L746 HydrophobicContact CB-CG 4.41Å; P744-L746 HydrophobicContact CG-CD2 4.07Å; P744-L746 HydrophobicContact CG-CG 4.31Å; P744-L746 PolarHBondContact O-N 3.33Å
745	N	80.7	Confident	77.7	Confident	71 Å²	71	37 Å²	37	38%	0.38	19%	0.187	S	C	.	.			trans	-77.4	81.8	163.5	-171.5	-7.7	0	0	0	109	W232 R743 Q747 A748 L749	W232-N745 PolarHBondContact O-ND2 2.86Å; R743-N745 PolarHBondContact O-N 3.12Å; N745-Q747 PolarHBondContact O-N 3.18Å; N745-Q747 PolarHBondContact OD1-N 3.23Å; N745-A748 HydrophobicContact CB-CB 4.12Å; N745-A748 WeakPolarHBondContact ND2-CB 3.37Å; N745-A748 PolarHBondContact O-N 2.87Å; N745-A748 PolarHBondContact OD1-N 3.19Å; N745-L749 PolarHBondContact O-N 3.04Å
746	L	86.1	Confident	78.4	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-33	-176.7	-66.1	175.4	0	0	0	113.1	I616 P744 L749 F750 K776 V777 T780	I616-L746 HydrophobicContact CD1-CD2 4.13Å; P744-L746 VanDerWaalsContact C-N 3.25Å; P744-L746 HydrophobicContact CB-CD2 4.06Å; P744-L746 HydrophobicContact CB-CG 4.41Å; P744-L746 HydrophobicContact CG-CD2 4.07Å; P744-L746 HydrophobicContact CG-CG 4.31Å; P744-L746 PolarHBondContact O-N 3.33Å; L746-L749 HydrophobicContact CD2-CD2 4.43Å; L746-L749 PolarHBondContact O-N 3.32Å; L746-F750 WeakPolarHBondContact O-CB 3.46Å; L746-F750 WeakPolarHBondContact O-CD1 3.3Å; L746-F750 VanDerWaalsContact O-CG 3.26Å; L746-F750 WeakPolarHBondContact O-CG 3.44Å; L746-F750 PolarHBondContact O-N 3.22Å; L746-K776 HydrophobicContact CD1-CB 4.44Å; L746-K776 HydrophobicContact CD1-CG 3.98Å; L746-V777 HydrophobicContact CD1-CB 4.48Å; L746-V777 HydrophobicContact CD1-CG2 3.64Å; L746-T780 HydrophobicContact CB-CG2 4.13Å
747	Q	84.3	Confident	79	Confident	84 Å²	84	39.6 Å²	39.6	39%	0.393	20%	0.199	S	C	.	.	H	α-helix	trans	-64.4	-52.7	178.9	178	177.9	-13.3	0	0	110.1	N745 L749 F750 E751 T780 L784	N745-Q747 PolarHBondContact O-N 3.18Å; N745-Q747 PolarHBondContact OD1-N 3.23Å; Q747-L749 VanDerWaalsContact C-N 3.3Å; Q747-L749 PolarHBondContact O-N 3.03Å; Q747-F750 PolarHBondContact O-N 3.23Å; Q747-E751 VanDerWaalsContact CG-OE1 3.28Å; Q747-E751 WeakPolarHBondContact CG-OE1 3.36Å; Q747-E751 PolarHBondContact NE2-OE1 3.18Å; Q747-E751 WeakPolarHBondContact O-CG 3.42Å; Q747-E751 PolarHBondContact O-N 3.37Å; Q747-T780 HydrophobicContact CB-CG2 4.08Å; Q747-L784 HydrophobicContact CG-CD2 4.25Å
748	A	81.9	Confident	79.2	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-47.9	178	0	0	0	0	0	109.3	W232 N745 F750 E751 C752	W232-A748 HydrophobicContact CB-CB 3.72Å; W232-A748 HydrophobicContact CD2-CB 4.11Å; W232-A748 HydrophobicContact CE3-CB 3.44Å; W232-A748 VanDerWaalsContact CE3-CB 3.44Å; W232-A748 HydrophobicContact CG-CB 4.29Å; W232-A748 HydrophobicContact CZ3-CB 4.38Å; W232-A748 WeakPolarHBondContact CZ3-O 3.4Å; N745-A748 HydrophobicContact CB-CB 4.12Å; N745-A748 WeakPolarHBondContact ND2-CB 3.37Å; N745-A748 PolarHBondContact O-N 2.87Å; N745-A748 PolarHBondContact OD1-N 3.19Å; A748-F750 VanDerWaalsContact C-N 3.32Å; A748-F750 PolarHBondContact O-N 2.97Å; A748-E751 WeakPolarHBondContact O-CB 3.33Å; A748-E751 PolarHBondContact O-N 2.9Å; A748-E751 VanDerWaalsContact O-N 3.08Å; A748-C752 PolarHBondContact O-N 3.16Å
749	L	86.1	Confident	79.5	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-45.8	-54.3	176.5	-174	68.3	0	0	0	112.4	W232 V652 N745 L746 Q747 C752 V753	W232-L749 HydrophobicContact CH2-CB 4.35Å; W232-L749 HydrophobicContact CH2-CD1 3.63Å; W232-L749 HydrophobicContact CH2-CG 4.49Å; W232-L749 HydrophobicContact CZ2-CD1 4.04Å; W232-L749 HydrophobicContact CZ3-CB 4.29Å; W232-L749 HydrophobicContact CZ3-CD1 4.39Å; V652-L749 HydrophobicContact CG1-CD2 4.5Å; V652-L749 HydrophobicContact CG2-CD2 3.6Å; N745-L749 PolarHBondContact O-N 3.04Å; L746-L749 HydrophobicContact CD2-CD2 4.43Å; L746-L749 PolarHBondContact O-N 3.32Å; Q747-L749 VanDerWaalsContact C-N 3.3Å; Q747-L749 PolarHBondContact O-N 3.03Å; L749-C752 PolarHBondContact O-N 3.29Å; L749-V753 WeakPolarHBondContact O-CG2 3.13Å; L749-V753 PolarHBondContact O-N 3.39Å; L749-V753 VanDerWaalsContact O-N 3.09Å
750	F	90	Very high	80.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-38.3	-176.6	-67.5	2	0	0	0	111.5	I614 I616 L746 Q747 A748 C752 V753 Q754 V765 V777 T780 C781 L784 F792	I614-F750 HydrophobicContact CD1-CD1 3.67Å; I614-F750 HydrophobicContact CD1-CE1 3.89Å; I614-F750 HydrophobicContact CD1-CG 4.44Å; I614-F750 HydrophobicContact CG2-CE1 4.12Å; I616-F750 HydrophobicContact CD1-CE1 3.93Å; I616-F750 HydrophobicContact CD1-CZ 3.71Å; L746-F750 WeakPolarHBondContact O-CB 3.46Å; L746-F750 WeakPolarHBondContact O-CD1 3.3Å; L746-F750 VanDerWaalsContact O-CG 3.26Å; L746-F750 WeakPolarHBondContact O-CG 3.44Å; L746-F750 PolarHBondContact O-N 3.22Å; Q747-F750 PolarHBondContact O-N 3.23Å; A748-F750 VanDerWaalsContact C-N 3.32Å; A748-F750 PolarHBondContact O-N 2.97Å; F750-C752 VanDerWaalsContact C-N 3.31Å; F750-C752 PolarHBondContact O-N 2.96Å; F750-V753 PolarHBondContact O-N 2.79Å; F750-Q754 WeakPolarHBondContact O-CB 3.36Å; F750-Q754 PolarHBondContact O-N 3Å; F750-V765 HydrophobicContact CE2-CG1 4.45Å; F750-V765 HydrophobicContact CZ-CG1 3.93Å; F750-V777 HydrophobicContact CE2-CG1 4.46Å; F750-V777 HydrophobicContact CZ-CG1 4.2Å; F750-T780 HydrophobicContact CD2-CG2 3.65Å; F750-T780 HydrophobicContact CE2-CG2 3.89Å; F750-T780 HydrophobicContact CG-CG2 4.47Å; F750-C781 WeakPolarHBondContact CE2-SG 3.29Å; F750-L784 HydrophobicContact CB-CD1 3.24Å; F750-L784 HydrophobicContact CD2-CD1 3.97Å; F750-L784 HydrophobicContact CG-CD1 4.12Å; F750-F792 HydrophobicContact CB-CE1 4.07Å; F750-F792 HydrophobicContact CB-CE2 4.13Å; F750-F792 HydrophobicContact CB-CZ 3.76Å; F750-F792 HydrophobicContact CG-CE1 4.32Å; F750-F792 HydrophobicContact CG-CZ 4.47Å; F750-F792 VanDerWaalsContact O-CZ 3.29Å; F750-F792 WeakPolarHBondContact O-CZ 3.21Å
751	E	84.4	Confident	81	Confident	44 Å²	44	65.7 Å²	65.7	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-40.5	173.8	-71.3	169.6	-175.2	0	0	111.9	Q747 A748 Q754 A755 L784	Q747-E751 VanDerWaalsContact CG-OE1 3.28Å; Q747-E751 WeakPolarHBondContact CG-OE1 3.36Å; Q747-E751 PolarHBondContact NE2-OE1 3.18Å; Q747-E751 WeakPolarHBondContact O-CG 3.42Å; Q747-E751 PolarHBondContact O-N 3.37Å; A748-E751 WeakPolarHBondContact O-CB 3.33Å; A748-E751 PolarHBondContact O-N 2.9Å; A748-E751 VanDerWaalsContact O-N 3.08Å; E751-Q754 WeakPolarHBondContact O-CB 3.26Å; E751-Q754 PolarHBondContact O-N 3.48Å; E751-A755 WeakPolarHBondContact O-CB 3.49Å; E751-A755 PolarHBondContact O-N 3.12Å; E751-L784 HydrophobicContact CG-CD1 4.33Å; E751-L784 HydrophobicContact CG-CD2 3.61Å
752	C	83.6	Confident	82.3	Confident	20 Å²	20	71.7 Å²	71.7	14%	0.135	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-42.8	174.8	-178.6	0	0	0	0	112.3	V230 W232 A748 L749 F750 Q754 A755 K756	V230-C752 HydrophobicContact CG1-CB 4.13Å; W232-C752 HydrophobicContact CE3-CB 4.2Å; W232-C752 HydrophobicContact CH2-CB 3.39Å; W232-C752 HydrophobicContact CZ3-CB 3.12Å; A748-C752 PolarHBondContact O-N 3.16Å; L749-C752 PolarHBondContact O-N 3.29Å; F750-C752 VanDerWaalsContact C-N 3.31Å; F750-C752 PolarHBondContact O-N 2.96Å; C752-Q754 VanDerWaalsContact C-N 3.27Å; C752-Q754 PolarHBondContact O-N 3.37Å; C752-A755 CarbonylContact O-C 3.41Å; C752-A755 PolarHBondContact O-N 3.33Å; C752-A755 VanDerWaalsContact O-N 3.11Å; C752-K756 PolarHBondContact O-N 2.8Å
753	V	88.2	Confident	83.8	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-40.3	176.4	178.6	0	0	0	0	110.1	V612 I614 Y650 L749 F750 A755 K756 H757 I763	V612-V753 HydrophobicContact CG1-CG1 4.25Å; I614-V753 HydrophobicContact CD1-CB 4.21Å; I614-V753 HydrophobicContact CD1-CG1 4.08Å; I614-V753 HydrophobicContact CD1-CG2 4.08Å; I614-V753 HydrophobicContact CG1-CG1 4.43Å; Y650-V753 HydrophobicContact CD1-CG2 4.39Å; Y650-V753 HydrophobicContact CD2-CG1 4.16Å; Y650-V753 HydrophobicContact CD2-CG2 4.28Å; Y650-V753 HydrophobicContact CE1-CG2 4.41Å; Y650-V753 HydrophobicContact CE2-CG1 3.93Å; Y650-V753 HydrophobicContact CE2-CG2 4.31Å; Y650-V753 HydrophobicContact CG-CG2 4.33Å; L749-V753 WeakPolarHBondContact O-CG2 3.13Å; L749-V753 PolarHBondContact O-N 3.39Å; L749-V753 VanDerWaalsContact O-N 3.09Å; F750-V753 PolarHBondContact O-N 2.79Å; V753-A755 VanDerWaalsContact C-N 3.33Å; V753-A755 PolarHBondContact O-N 3.4Å; V753-K756 PolarHBondContact O-N 3.36Å; V753-H757 WeakPolarHBondContact O-CB 3.39Å; V753-H757 PolarHBondContact O-CD2 2.72Å; V753-H757 PolarHBondContact O-N 2.81Å; V753-I763 HydrophobicContact CG1-CD1 4.15Å
754	Q	85.6	Confident	85.2	Confident	29 Å²	29	60.2 Å²	60.2	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-39.5	173.5	-165.7	178.3	57.9	0	0	111.9	F750 E751 C752 H757 R758 S790 F792	F750-Q754 WeakPolarHBondContact O-CB 3.36Å; F750-Q754 PolarHBondContact O-N 3Å; E751-Q754 WeakPolarHBondContact O-CB 3.26Å; E751-Q754 PolarHBondContact O-N 3.48Å; C752-Q754 VanDerWaalsContact C-N 3.27Å; C752-Q754 PolarHBondContact O-N 3.37Å; Q754-H757 CarbonylContact O-C 3.57Å; Q754-H757 PolarHBondContact O-N 3.27Å; Q754-R758 WeakPolarHBondContact O-CG 3.15Å; Q754-R758 PolarHBondContact O-N 3.22Å; Q754-S790 PolarHBondContact NE2-O 3.34Å; Q754-F792 HydrophobicContact CB-CE2 4.34Å; Q754-F792 HydrophobicContact CB-CZ 4.01Å
755	A	85.1	Confident	85.9	Confident	49 Å²	49	59.1 Å²	59.1	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-69.9	-37.8	177	0	0	0	0	0	113.1	E751 C752 V753 R758	E751-A755 WeakPolarHBondContact O-CB 3.49Å; E751-A755 PolarHBondContact O-N 3.12Å; C752-A755 CarbonylContact O-C 3.41Å; C752-A755 PolarHBondContact O-N 3.33Å; C752-A755 VanDerWaalsContact O-N 3.11Å; V753-A755 VanDerWaalsContact C-N 3.33Å; V753-A755 PolarHBondContact O-N 3.4Å; A755-R758 WeakPolarHBondContact O-CG 3.33Å
756	K	86.3	Confident	86.3	Confident	106 Å²	106	55.8 Å²	55.8	46%	0.461	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-36.4	173.9	-75	-177.5	178.4	179.7	0	111.4	E681 C752 V753	E681-K756 IonicContact OE1-NZ 3.02Å; E681-K756 PolarHBondContact OE1-NZ 2.97Å; E681-K756 IonicContact OE2-NZ 2.66Å; C752-K756 PolarHBondContact O-N 2.8Å; V753-K756 PolarHBondContact O-N 3.36Å
757	H	86.9	Confident	86.4	Confident	43 Å²	43	55.5 Å²	55.5	20%	0.199	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	42.5	-171.7	-61.7	-73.5	0	0	0	114.2	Y650 V753 Q754 K759 L760	Y650-H757 AromaticContact CE2-NE2 3.55Å; Y650-H757 AromaticContact CZ-NE2 3.67Å; Y650-H757 PolarHBondContact OH-NE2 2.92Å; V753-H757 WeakPolarHBondContact O-CB 3.39Å; V753-H757 PolarHBondContact O-CD2 2.72Å; V753-H757 PolarHBondContact O-N 2.81Å; Q754-H757 CarbonylContact O-C 3.57Å; Q754-H757 PolarHBondContact O-N 3.27Å; H757-K759 PolarHBondContact O-N 3.48Å; H757-L760 HydrophobicContact CB-CD1 3.8Å; H757-L760 HydrophobicContact CB-CG 4.19Å; H757-L760 PolarHBondContact O-N 2.85Å
758	R	78.8	Confident	86.5	Confident	204 Å²	204	52 Å²	52	77%	0.77	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.3	-176.5	-70.1	178.1	-175.9	-169.6	-0.2	115.3	Q754 A755 L760	Q754-R758 WeakPolarHBondContact O-CG 3.15Å; Q754-R758 PolarHBondContact O-N 3.22Å; A755-R758 WeakPolarHBondContact O-CG 3.33Å; R758-L760 VanDerWaalsContact C-N 3.29Å; R758-L760 PolarHBondContact O-N 2.66Å
759	K	82.1	Confident	86.3	Confident	210 Å²	210	52.7 Å²	52.7	91%	0.913	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19	-178.5	-64	-176.1	-179.3	180	0	113	H757	H757-K759 PolarHBondContact O-N 3.48Å
760	L	85.6	Confident	85.7	Confident	21 Å²	21	55.1 Å²	55.1	11%	0.11	26%	0.258	C	S	.	.			trans	-83.7	135.8	-174.3	-61.1	-178.8	0	0	0	111.3	E611 V612 H757 R758 S790	E611-L760 HydrophobicContact CB-CD1 4.16Å; E611-L760 HydrophobicContact CB-CD2 3.93Å; E611-L760 VanDerWaalsContact CD-CD2 3.48Å; E611-L760 HydrophobicContact CG-CD2 4.25Å; E611-L760 WeakPolarHBondContact OE1-CD2 3.33Å; V612-L760 HydrophobicContact CB-CD1 3.78Å; V612-L760 HydrophobicContact CG2-CD1 3.31Å; H757-L760 HydrophobicContact CB-CD1 3.8Å; H757-L760 HydrophobicContact CB-CG 4.19Å; H757-L760 PolarHBondContact O-N 2.85Å; R758-L760 VanDerWaalsContact C-N 3.29Å; R758-L760 PolarHBondContact O-N 2.66Å; L760-S790 WeakPolarHBondContact O-CB 3.39Å; L760-S790 PolarHBondContact O-OG 3.26Å
761	K	84.6	Confident	84.7	Confident	185 Å²	185	60.4 Å²	60.4	80%	0.804	29%	0.292	S	S	*	.	S	Bend	trans	-75.8	-35.3	174.3	-67.4	-177.5	178.8	179.1	0	112.2	R791	K761-R791 PolarHBondContact O-N 3.36Å
762	R	89.4	Confident	84	Confident	150 Å²	150	62.6 Å²	62.6	57%	0.566	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	139	-173.5	-61.2	-176.5	-61.9	177.6	3.2	111.1	Y610 R791	Y610-R762 HydrophobicContact CD1-CB 4.43Å; Y610-R762 HydrophobicContact CE1-CB 4.48Å; R762-R791 CarbonylContact C-O 3.57Å; R762-R791 VanDerWaalsContact CA-O 3.28Å; R762-R791 WeakPolarHBondContact CA-O 2.97Å
763	I	91.1	Very high	83.7	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.5	174.4	-60.3	174.8	0	0	0	107.3	V612 I614 V753 R791 F792 V793	V612-I763 HydrophobicContact CG1-CG2 4.22Å; I614-I763 HydrophobicContact CD1-CG2 4.3Å; I614-I763 HydrophobicContact CG1-CG2 4.19Å; V753-I763 HydrophobicContact CG1-CD1 4.15Å; I763-R791 PolarHBondContact N-O 3.09Å; I763-F792 HydrophobicContact CB-CD1 3.9Å; I763-F792 HydrophobicContact CB-CE1 4Å; I763-F792 HydrophobicContact CD1-CD1 4.5Å; I763-F792 HydrophobicContact CD1-CE1 3.8Å; I763-F792 HydrophobicContact CD1-CZ 4.11Å; I763-F792 HydrophobicContact CG1-CE1 4.48Å; I763-F792 HydrophobicContact CG2-CD1 3.96Å; I763-F792 HydrophobicContact CG2-CE1 3.91Å; I763-F792 WeakPolarHBondContact O-CA 3.48Å; I763-V793 PolarHBondContact O-N 3.28Å
764	G	90.8	Very high	83.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.1	177.9	0	0	0	0	0	110.5	V612 C613 I614	V612-G764 PolarHBondContact O-N 3.33Å; V612-G764 VanDerWaalsContact O-N 3.09Å; C613-G764 CarbonylContact C-O 3.5Å; C613-G764 WeakPolarHBondContact CA-O 3.46Å; I614-G764 PolarHBondContact N-O 2.88Å
765	V	91.9	Very high	82.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116	174.6	-175.1	0	0	0	0	108.4	I614 I616 F750 V777 F792 V793 H794 K795	I614-V765 HydrophobicContact CB-CG1 4.4Å; I614-V765 HydrophobicContact CB-CG2 4.31Å; I614-V765 HydrophobicContact CD1-CG2 4.24Å; I614-V765 CarbonylContact O-C 3.55Å; I614-V765 WeakPolarHBondContact O-CA 3.34Å; I616-V765 HydrophobicContact CD1-CG1 4.11Å; F750-V765 HydrophobicContact CE2-CG1 4.45Å; F750-V765 HydrophobicContact CZ-CG1 3.93Å; V765-V777 HydrophobicContact CG1-CG1 3.75Å; V765-F792 HydrophobicContact CG2-CB 4.1Å; V765-F792 HydrophobicContact CG2-CD1 3.65Å; V765-F792 HydrophobicContact CG2-CG 4.33Å; V765-V793 PolarHBondContact N-O 3.31Å; V765-H794 CarbonylContact O-C 3.59Å; V765-H794 VanDerWaalsContact O-CA 3.31Å; V765-H794 WeakPolarHBondContact O-CA 3.38Å; V765-H794 PolarHBondContact O-CD2 2.82Å; V765-K795 PolarHBondContact O-N 3.19Å
766	F	90.2	Very high	82.6	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.009	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.2	-179	-57.1	-90.1	0	0	0	107.9	N604 D606 W607 Y610 C613 I614 M615 I616 Y625 K795 E797	N604-F766 HydrophobicContact CB-CD1 4.38Å; N604-F766 HydrophobicContact CB-CE1 4.26Å; D606-F766 HydrophobicContact CB-CE1 4.06Å; D606-F766 HydrophobicContact CB-CZ 4.2Å; W607-F766 HydrophobicContact CB-CE2 3.86Å; W607-F766 HydrophobicContact CB-CZ 3.96Å; Y610-F766 HydrophobicContact CD2-CE2 4.24Å; Y610-F766 AromaticContact CD2-CZ 3.85Å; Y610-F766 HydrophobicContact CD2-CZ 3.85Å; Y610-F766 AromaticContact CE2-CZ 3.81Å; Y610-F766 HydrophobicContact CE2-CZ 3.81Å; C613-F766 HydrophobicContact CB-CD2 4.37Å; C613-F766 HydrophobicContact CB-CE2 4.07Å; I614-F766 PolarHBondContact O-N 3.48Å; M615-F766 CarbonylContact C-O 3.32Å; M615-F766 HydrophobicContact CG-CD2 4.44Å; I616-F766 PolarHBondContact N-O 3.46Å; Y625-F766 PolarHBondContact OH-O 3.45Å; F766-K795 WeakPolarHBondContact CA-O 3.46Å; F766-K795 HydrophobicContact CD1-CB 3.98Å; F766-K795 HydrophobicContact CE1-CB 4.19Å; F766-K795 HydrophobicContact CE1-CD 3.89Å; F766-K795 HydrophobicContact CE1-CG 4.46Å; F766-E797 HydrophobicContact CB-CG 4.14Å; F766-E797 HydrophobicContact CD1-CG 4.38Å; F766-E797 WeakPolarHBondContact CD1-OE1 3.44Å
767	S	88.1	Confident	82.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.8	176.7	70.2	0	0	0	0	112	I616 N774 H794 K795 E797	I616-S767 CarbonylContact O-C 3.53Å; I616-S767 VanDerWaalsContact O-CA 3.31Å; I616-S767 WeakPolarHBondContact O-CA 3.41Å; S767-N774 PolarHBondContact OG-OD1 3.41Å; S767-H794 PolarHBondContact OG-NE2 2.97Å; S767-K795 PolarHBondContact N-O 2.93Å; S767-K795 VanDerWaalsContact N-O 3.11Å; S767-E797 PolarHBondContact O-N 3.18Å
768	C	85.7	Confident	82.5	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.9	168.1	-168.7	0	0	0	0	110.3	I616 A617 A618 G621 Y625 E797 F799	I616-C768 PolarHBondContact O-N 3.19Å; A617-C768 CarbonylContact C-O 3.51Å; A617-C768 WeakPolarHBondContact CA-O 3.27Å; A618-C768 PolarHBondContact N-O 2.9Å; G621-C768 VanDerWaalsContact CA-SG 3.53Å; G621-C768 WeakPolarHBondContact O-CB 3.17Å; Y625-C768 HydrophobicContact CE2-CB 3.74Å; C768-E797 HydrophobicContact CB-CB 4.04Å; C768-E797 PolarHBondContact SG-O 3.23Å; C768-F799 HydrophobicContact CB-CD2 3.97Å; C768-F799 HydrophobicContact CB-CE2 4.33Å
769	G	78.2	Confident	82.8	Confident	22 Å²	22	61.2 Å²	61.2	23%	0.227	31%	0.309	C	S	.	.	S	Bend	trans	164.1	-166.1	-177.7	0	0	0	0	0	114.2	A618 N774	A618-G769 WeakPolarHBondContact O-CA 3.41Å; G769-N774 PolarHBondContact O-ND2 3.37Å
770	P	72.2	Confident	83	Confident	59 Å²	59	51.6 Å²	51.6	38%	0.383	27%	0.268	S	S	.	.			trans	-59.4	147.8	178.2	-23.1	33.9	0	0	0	112.3	S772 V773 N774	P770-S772 PolarHBondContact O-N 3.29Å; P770-V773 PolarHBondContact O-N 2.76Å; P770-N774 PolarHBondContact O-N 3.24Å; P770-N774 VanDerWaalsContact O-N 3.16Å
771	P	70.9	Confident	83.1	Confident	111 Å²	111	50.8 Å²	50.8	72%	0.721	26%	0.263	S	S	*	.	H	α-helix	trans	-54.4	-30.8	-179.9	-27.5	34.4	0	0	0	114.3	K775	P771-K775 WeakPolarHBondContact O-CB 3.28Å; P771-K775 PolarHBondContact O-N 3.32Å
772	S	69.6	Low	83.2	Confident	90 Å²	90	43.3 Å²	43.3	63%	0.629	23%	0.231	S	C	*	.	H	α-helix	trans	-63.8	-41.5	176.9	58.4	0	0	0	0	113	P770 K776	P770-S772 PolarHBondContact O-N 3.29Å; S772-K776 WeakPolarHBondContact O-CB 3.21Å; S772-K776 PolarHBondContact O-N 3.25Å; S772-K776 VanDerWaalsContact O-N 3.15Å
773	V	75.9	Confident	82.9	Confident	28 Å²	28	38.2 Å²	38.2	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-49	178	177.2	0	0	0	0	109.4	A618 I654 P770 K775 K776 V777	A618-V773 HydrophobicContact CB-CB 4.37Å; A618-V773 HydrophobicContact CB-CG1 4.14Å; A618-V773 HydrophobicContact CB-CG2 4.09Å; I654-V773 HydrophobicContact CD1-CG1 3.86Å; P770-V773 PolarHBondContact O-N 2.76Å; V773-K775 VanDerWaalsContact C-N 3.33Å; V773-K775 PolarHBondContact O-N 2.81Å; V773-K776 WeakPolarHBondContact O-CA 3.44Å; V773-K776 WeakPolarHBondContact O-CB 3.42Å; V773-K776 PolarHBondContact O-N 3.49Å; V773-V777 HydrophobicContact CG1-CG2 4.36Å; V773-V777 WeakPolarHBondContact O-CG2 3.18Å; V773-V777 PolarHBondContact O-N 3.26Å
774	N	80.7	Confident	82.6	Confident	19 Å²	19	38.3 Å²	38.3	10%	0.102	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-42.6	-179.1	-60.9	-22.2	0	0	0	111.8	S767 G769 P770 K776 V777 Q778 L796	S767-N774 PolarHBondContact OG-OD1 3.41Å; G769-N774 PolarHBondContact O-ND2 3.37Å; P770-N774 PolarHBondContact O-N 3.24Å; P770-N774 VanDerWaalsContact O-N 3.16Å; N774-K776 VanDerWaalsContact C-N 3.31Å; N774-K776 PolarHBondContact O-N 3.34Å; N774-V777 PolarHBondContact O-N 2.86Å; N774-Q778 WeakPolarHBondContact O-CB 3.39Å; N774-Q778 PolarHBondContact O-N 3.18Å; N774-L796 HydrophobicContact CB-CD1 3.67Å; N774-L796 VanDerWaalsContact CG-CD1 3.44Å; N774-L796 VanDerWaalsContact ND2-CD1 3.28Å; N774-L796 WeakPolarHBondContact ND2-CD1 3.46Å
775	K	76	Confident	82.4	Confident	146 Å²	146	40.2 Å²	40.2	64%	0.635	23%	0.232	S	C	*	.	H	α-helix	trans	-61	-40.5	174.1	-176.2	174.2	-178.5	175.5	0	111.5	P771 V773 Q778 T779	P771-K775 WeakPolarHBondContact O-CB 3.28Å; P771-K775 PolarHBondContact O-N 3.32Å; V773-K775 VanDerWaalsContact C-N 3.33Å; V773-K775 PolarHBondContact O-N 2.81Å; K775-Q778 PolarHBondContact O-N 3.39Å; K775-T779 WeakPolarHBondContact O-CB 3.41Å; K775-T779 PolarHBondContact O-N 3.37Å; K775-T779 PolarHBondContact O-OG1 3.32Å
776	K	80.5	Confident	81.7	Confident	124 Å²	124	43.6 Å²	43.6	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-66.9	-44	177.9	-173.3	65.8	-179.9	176.2	0	111.7	L746 S772 V773 N774 Q778 T779 T780	L746-K776 HydrophobicContact CD1-CB 4.44Å; L746-K776 HydrophobicContact CD1-CG 3.98Å; S772-K776 WeakPolarHBondContact O-CB 3.21Å; S772-K776 PolarHBondContact O-N 3.25Å; S772-K776 VanDerWaalsContact O-N 3.15Å; V773-K776 WeakPolarHBondContact O-CA 3.44Å; V773-K776 WeakPolarHBondContact O-CB 3.42Å; V773-K776 PolarHBondContact O-N 3.49Å; N774-K776 VanDerWaalsContact C-N 3.31Å; N774-K776 PolarHBondContact O-N 3.34Å; K776-Q778 VanDerWaalsContact C-N 3.35Å; K776-T779 PolarHBondContact O-N 3.15Å; K776-T780 WeakPolarHBondContact O-CB 3.43Å; K776-T780 PolarHBondContact O-N 3.11Å; K776-T780 PolarHBondContact O-OG1 3.15Å; K776-T780 VanDerWaalsContact O-OG1 3.08Å
777	V	87.3	Confident	81.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57	-50.3	173.6	173.5	0	0	0	0	110	I616 L746 F750 V765 V773 N774 T779 T780 C781	I616-V777 HydrophobicContact CD1-CB 4.49Å; I616-V777 HydrophobicContact CD1-CG1 3.96Å; I616-V777 HydrophobicContact CD1-CG2 3.63Å; I616-V777 HydrophobicContact CG2-CG2 4.33Å; L746-V777 HydrophobicContact CD1-CB 4.48Å; L746-V777 HydrophobicContact CD1-CG2 3.64Å; F750-V777 HydrophobicContact CE2-CG1 4.46Å; F750-V777 HydrophobicContact CZ-CG1 4.2Å; V765-V777 HydrophobicContact CG1-CG1 3.75Å; V773-V777 HydrophobicContact CG1-CG2 4.36Å; V773-V777 WeakPolarHBondContact O-CG2 3.18Å; V773-V777 PolarHBondContact O-N 3.26Å; N774-V777 PolarHBondContact O-N 2.86Å; V777-T779 PolarHBondContact O-N 2.68Å; V777-T780 PolarHBondContact O-N 2.74Å; V777-C781 PolarHBondContact O-N 2.92Å; V777-C781 PolarHBondContact O-SG 2.95Å; V777-C781 VanDerWaalsContact O-SG 3.42Å
778	Q	83.9	Confident	80.1	Confident	42 Å²	42	58.7 Å²	58.7	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-52.8	178.5	-170.6	-170.8	-18.8	0	0	111.5	N774 K775 K776 T780 C781 E782	N774-Q778 WeakPolarHBondContact O-CB 3.39Å; N774-Q778 PolarHBondContact O-N 3.18Å; K775-Q778 PolarHBondContact O-N 3.39Å; K776-Q778 VanDerWaalsContact C-N 3.35Å; Q778-T780 VanDerWaalsContact C-N 3.27Å; Q778-T780 PolarHBondContact O-N 3.47Å; Q778-C781 PolarHBondContact O-N 3.18Å; Q778-E782 WeakPolarHBondContact CG-OE1 3.48Å; Q778-E782 PolarHBondContact NE2-OE1 3.18Å; Q778-E782 WeakPolarHBondContact O-CB 3.39Å; Q778-E782 WeakPolarHBondContact O-CG 3.49Å; Q778-E782 PolarHBondContact O-N 2.92Å
779	T	83.9	Confident	79.6	Confident	66 Å²	66	60.8 Å²	60.8	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-35.9	178.5	-58.8	0	0	0	0	112.3	K775 K776 V777 A783	K775-T779 WeakPolarHBondContact O-CB 3.41Å; K775-T779 PolarHBondContact O-N 3.37Å; K775-T779 PolarHBondContact O-OG1 3.32Å; K776-T779 PolarHBondContact O-N 3.15Å; V777-T779 PolarHBondContact O-N 2.68Å; T779-A783 VanDerWaalsContact O-CB 3.3Å; T779-A783 WeakPolarHBondContact O-CB 3.47Å; T779-A783 PolarHBondContact O-N 3.02Å
780	T	87.1	Confident	79.7	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.049	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-43	176.4	-67.7	0	0	0	0	111.7	L746 Q747 F750 K776 V777 Q778 A783 L784	L746-T780 HydrophobicContact CB-CG2 4.13Å; Q747-T780 HydrophobicContact CB-CG2 4.08Å; F750-T780 HydrophobicContact CD2-CG2 3.65Å; F750-T780 HydrophobicContact CE2-CG2 3.89Å; F750-T780 HydrophobicContact CG-CG2 4.47Å; K776-T780 WeakPolarHBondContact O-CB 3.43Å; K776-T780 PolarHBondContact O-N 3.11Å; K776-T780 PolarHBondContact O-OG1 3.15Å; K776-T780 VanDerWaalsContact O-OG1 3.08Å; V777-T780 PolarHBondContact O-N 2.74Å; Q778-T780 VanDerWaalsContact C-N 3.27Å; Q778-T780 PolarHBondContact O-N 3.47Å; T780-A783 PolarHBondContact O-N 2.96Å; T780-L784 HydrophobicContact CG2-CD1 4.14Å; T780-L784 WeakPolarHBondContact O-CG 3.49Å; T780-L784 PolarHBondContact O-N 3.03Å
781	C	87.9	Confident	80.3	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.02	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-48	172.6	-71.2	0	0	0	0	111.2	F750 V777 Q778 A783 L784 N785 F792 H794	F750-C781 WeakPolarHBondContact CE2-SG 3.29Å; V777-C781 PolarHBondContact O-N 2.92Å; V777-C781 PolarHBondContact O-SG 2.95Å; V777-C781 VanDerWaalsContact O-SG 3.42Å; Q778-C781 PolarHBondContact O-N 3.18Å; C781-A783 VanDerWaalsContact C-N 3.31Å; C781-A783 PolarHBondContact O-N 3.44Å; C781-L784 PolarHBondContact O-N 3.38Å; C781-N785 VanDerWaalsContact O-CB 3.27Å; C781-N785 WeakPolarHBondContact O-CB 3.48Å; C781-N785 PolarHBondContact O-N 2.96Å; C781-N785 PolarHBondContact O-ND2 3.14Å; C781-F792 HydrophobicContact CB-CB 4.19Å; C781-H794 HydrophobicContact CB-CB 4.18Å
782	E	84.7	Confident	81.2	Confident	29 Å²	29	55.9 Å²	55.9	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-41.2	176.5	-73	171.3	-169.9	0	0	112	Q778 R786	Q778-E782 WeakPolarHBondContact CG-OE1 3.48Å; Q778-E782 PolarHBondContact NE2-OE1 3.18Å; Q778-E782 WeakPolarHBondContact O-CB 3.39Å; Q778-E782 WeakPolarHBondContact O-CG 3.49Å; Q778-E782 PolarHBondContact O-N 2.92Å; E782-R786 WeakPolarHBondContact O-CG 3.47Å; E782-R786 PolarHBondContact O-N 3.38Å
783	A	83.9	Confident	82	Confident	43 Å²	43	52.8 Å²	52.8	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-44.2	178.5	0	0	0	0	0	112.3	T779 T780 C781 R786	T779-A783 VanDerWaalsContact O-CB 3.3Å; T779-A783 WeakPolarHBondContact O-CB 3.47Å; T779-A783 PolarHBondContact O-N 3.02Å; T780-A783 PolarHBondContact O-N 2.96Å; C781-A783 VanDerWaalsContact C-N 3.31Å; C781-A783 PolarHBondContact O-N 3.44Å; A783-R786 WeakPolarHBondContact O-CB 3.35Å; A783-R786 PolarHBondContact O-N 2.87Å
784	L	85.1	Confident	82.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-74.7	-31.4	-179.5	-68.8	177.1	0	0	0	113	Q747 F750 E751 T780 C781 R786 L787 F792	Q747-L784 HydrophobicContact CG-CD2 4.25Å; F750-L784 HydrophobicContact CB-CD1 3.24Å; F750-L784 HydrophobicContact CD2-CD1 3.97Å; F750-L784 HydrophobicContact CG-CD1 4.12Å; E751-L784 HydrophobicContact CG-CD1 4.33Å; E751-L784 HydrophobicContact CG-CD2 3.61Å; T780-L784 HydrophobicContact CG2-CD1 4.14Å; T780-L784 WeakPolarHBondContact O-CG 3.49Å; T780-L784 PolarHBondContact O-N 3.03Å; C781-L784 PolarHBondContact O-N 3.38Å; L784-R786 PolarHBondContact O-N 3.29Å; L784-L787 HydrophobicContact CD2-CD1 3.94Å; L784-L787 WeakPolarHBondContact O-CB 3.42Å; L784-L787 PolarHBondContact O-N 3.4Å; L784-F792 HydrophobicContact CB-CD2 4.1Å; L784-F792 HydrophobicContact CB-CE2 4.22Å; L784-F792 HydrophobicContact CD1-CD2 4.45Å; L784-F792 HydrophobicContact CD1-CE2 4.1Å
785	N	85.9	Confident	82.5	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.214	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-20.2	173.5	-75.2	-18.2	0	0	0	113	C781 L787 F792	C781-N785 VanDerWaalsContact O-CB 3.27Å; C781-N785 WeakPolarHBondContact O-CB 3.48Å; C781-N785 PolarHBondContact O-N 2.96Å; C781-N785 PolarHBondContact O-ND2 3.14Å; N785-L787 VanDerWaalsContact C-N 3.27Å; N785-F792 PolarHBondContact ND2-O 3.46Å; N785-F792 PolarHBondContact OD1-N 2.88Å; N785-F792 PolarHBondContact OD1-O 3.37Å
786	R	78.5	Confident	82.3	Confident	71 Å²	71	50.8 Å²	50.8	27%	0.268	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.3	172.3	-65.3	171.7	-163.1	-177.8	8.6	112.6	N248 E782 A783 L784	N248-R786 HydrophobicContact CB-CG 3.93Å; E782-R786 WeakPolarHBondContact O-CG 3.47Å; E782-R786 PolarHBondContact O-N 3.38Å; A783-R786 WeakPolarHBondContact O-CB 3.35Å; A783-R786 PolarHBondContact O-N 2.87Å; L784-R786 PolarHBondContact O-N 3.29Å
787	L	76	Confident	81.7	Confident	99 Å²	99	45.3 Å²	45.3	52%	0.518	24%	0.237	S	C	.	.	S	Bend	trans	-88.9	156.2	178	-56	175.2	0	0	0	110.4	L784 N785 G789	L784-L787 HydrophobicContact CD2-CD1 3.94Å; L784-L787 WeakPolarHBondContact O-CB 3.42Å; L784-L787 PolarHBondContact O-N 3.4Å; N785-L787 VanDerWaalsContact C-N 3.27Å; L787-G789 PolarHBondContact O-N 2.58Å
788	K	67.9	Low	80.4	Confident	220 Å²	220	50.1 Å²	50.1	96%	0.957	27%	0.267	S	S	*	.	S	Bend	trans	-72.5	118.6	174.5	-75.8	-173.9	176.2	-176.9	0	109.7
789	G	75.1	Confident	79	Confident	55 Å²	55	50.9 Å²	50.9	57%	0.567	27%	0.269	S	S	*	.	S	Bend	trans	169.1	-165.1	175	0	0	0	0	0	112.8	L787 R791	L787-G789 PolarHBondContact O-N 2.58Å; G789-R791 PolarHBondContact O-N 3.07Å
790	S	80.1	Confident	78.8	Confident	7 Å²	7	50.1 Å²	50.1	5%	0.049	26%	0.263	C	S	.	.	S	Bend	trans	-60.6	131.7	172.1	-49.8	0	0	0	0	110.3	Q754 L760	Q754-S790 PolarHBondContact NE2-O 3.34Å; L760-S790 WeakPolarHBondContact O-CB 3.39Å; L760-S790 PolarHBondContact O-OG 3.26Å
791	R	86.4	Confident	78.3	Confident	82 Å²	82	52.3 Å²	52.3	31%	0.309	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.1	180	-177.9	178	171.5	165.4	1.8	110.8	E255 K761 R762 I763 G789	E255-R791 VanDerWaalsContact CD-NH1 3.3Å; E255-R791 VanDerWaalsContact CD-NH2 3.28Å; E255-R791 IonicContact OE1-CZ 3.79Å; E255-R791 IonicContact OE1-NH1 2.74Å; E255-R791 PolarHBondContact OE1-NH1 3.2Å; E255-R791 IonicContact OE1-NH2 3.79Å; E255-R791 IonicContact OE2-CZ 3.68Å; E255-R791 IonicContact OE2-NH1 2.81Å; E255-R791 PolarHBondContact OE2-NH1 2.87Å; E255-R791 IonicContact OE2-NH2 3.51Å; E255-R791 PolarHBondContact OE2-NH2 3.25Å; K761-R791 PolarHBondContact O-N 3.36Å; R762-R791 CarbonylContact C-O 3.57Å; R762-R791 VanDerWaalsContact CA-O 3.28Å; R762-R791 WeakPolarHBondContact CA-O 2.97Å; I763-R791 PolarHBondContact N-O 3.09Å; G789-R791 PolarHBondContact O-N 3.07Å
792	F	89.3	Confident	77.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.4	170.8	-66	-79.3	0	0	0	109.9	I614 F750 Q754 I763 V765 C781 L784 N785	I614-F792 HydrophobicContact CD1-CD1 4.47Å; I614-F792 HydrophobicContact CD1-CE1 4.04Å; F750-F792 HydrophobicContact CB-CE1 4.07Å; F750-F792 HydrophobicContact CB-CE2 4.13Å; F750-F792 HydrophobicContact CB-CZ 3.76Å; F750-F792 HydrophobicContact CG-CE1 4.32Å; F750-F792 HydrophobicContact CG-CZ 4.47Å; F750-F792 VanDerWaalsContact O-CZ 3.29Å; F750-F792 WeakPolarHBondContact O-CZ 3.21Å; Q754-F792 HydrophobicContact CB-CE2 4.34Å; Q754-F792 HydrophobicContact CB-CZ 4.01Å; I763-F792 HydrophobicContact CB-CD1 3.9Å; I763-F792 HydrophobicContact CB-CE1 4Å; I763-F792 HydrophobicContact CD1-CD1 4.5Å; I763-F792 HydrophobicContact CD1-CE1 3.8Å; I763-F792 HydrophobicContact CD1-CZ 4.11Å; I763-F792 HydrophobicContact CG1-CE1 4.48Å; I763-F792 HydrophobicContact CG2-CD1 3.96Å; I763-F792 HydrophobicContact CG2-CE1 3.91Å; I763-F792 WeakPolarHBondContact O-CA 3.48Å; V765-F792 HydrophobicContact CG2-CB 4.1Å; V765-F792 HydrophobicContact CG2-CD1 3.65Å; V765-F792 HydrophobicContact CG2-CG 4.33Å; C781-F792 HydrophobicContact CB-CB 4.19Å; L784-F792 HydrophobicContact CB-CD2 4.1Å; L784-F792 HydrophobicContact CB-CE2 4.22Å; L784-F792 HydrophobicContact CD1-CD2 4.45Å; L784-F792 HydrophobicContact CD1-CE2 4.1Å; N785-F792 PolarHBondContact ND2-O 3.46Å; N785-F792 PolarHBondContact OD1-N 2.88Å; N785-F792 PolarHBondContact OD1-O 3.37Å
793	V	86.1	Confident	77.4	Confident	24 Å²	24	56.6 Å²	56.6	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106	174.8	-172.7	0	0	0	0	107.9	Y610 I763 V765	Y610-V793 HydrophobicContact CE1-CB 4.08Å; Y610-V793 HydrophobicContact CE1-CG2 4.13Å; Y610-V793 WeakPolarHBondContact OH-CG1 3.35Å; I763-V793 PolarHBondContact O-N 3.28Å; V765-V793 PolarHBondContact N-O 3.31Å
794	H	86.1	Confident	77	Confident	25 Å²	25	57.4 Å²	57.4	12%	0.116	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.7	-179.1	-179.3	-132	0	0	0	110.8	V765 S767 C781	V765-H794 CarbonylContact O-C 3.59Å; V765-H794 VanDerWaalsContact O-CA 3.31Å; V765-H794 WeakPolarHBondContact O-CA 3.38Å; V765-H794 PolarHBondContact O-CD2 2.82Å; S767-H794 PolarHBondContact OG-NE2 2.97Å; C781-H794 HydrophobicContact CB-CB 4.18Å
795	K	80	Confident	76.5	Confident	43 Å²	43	61.1 Å²	61.1	19%	0.187	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.1	172.8	-67	-171.3	174	-176.2	0	109.1	N604 D606 Y610 V765 F766 S767 E797	N604-K795 HydrophobicContact CB-CB 4.34Å; N604-K795 HydrophobicContact CB-CD 4.04Å; D606-K795 HydrophobicContact CB-CD 4.15Å; D606-K795 VanDerWaalsContact CB-NZ 3.27Å; D606-K795 IonicContact OD1-NZ 3.91Å; D606-K795 IonicContact OD2-NZ 2.94Å; D606-K795 PolarHBondContact OD2-NZ 3.45Å; Y610-K795 WeakPolarHBondContact OH-CE 3.07Å; V765-K795 PolarHBondContact O-N 3.19Å; F766-K795 WeakPolarHBondContact CA-O 3.46Å; F766-K795 HydrophobicContact CD1-CB 3.98Å; F766-K795 HydrophobicContact CE1-CB 4.19Å; F766-K795 HydrophobicContact CE1-CD 3.89Å; F766-K795 HydrophobicContact CE1-CG 4.46Å; S767-K795 PolarHBondContact N-O 2.93Å; S767-K795 VanDerWaalsContact N-O 3.11Å; K795-E797 PolarHBondContact O-N 3.25Å
796	L	72.7	Confident	75.8	Confident	83 Å²	83	62.6 Å²	62.6	44%	0.435	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	117.9	174	179.9	65.2	0	0	0	108.9	N604 N774 T798	N604-L796 PolarHBondContact ND2-O 3.09Å; N774-L796 HydrophobicContact CB-CD1 3.67Å; N774-L796 VanDerWaalsContact CG-CD1 3.44Å; N774-L796 VanDerWaalsContact ND2-CD1 3.28Å; N774-L796 WeakPolarHBondContact ND2-CD1 3.46Å; L796-T798 HydrophobicContact CD2-CG2 4.2Å; L796-T798 HydrophobicContact CG-CG2 4.2Å
797	E	68.8	Low	75.6	Confident	10 Å²	10	62 Å²	62	5%	0.047	32%	0.323	C	S	.	.			trans	-95.3	104.8	177.6	-65.8	-78.4	-153.5	0	0	110	N604 F766 S767 C768 K795 F799	N604-E797 WeakPolarHBondContact CB-OE1 3.44Å; N604-E797 WeakPolarHBondContact CB-OE2 3.49Å; N604-E797 PolarHBondContact N-OE2 3.26Å; N604-E797 PolarHBondContact ND2-OE2 3.03Å; F766-E797 HydrophobicContact CB-CG 4.14Å; F766-E797 HydrophobicContact CD1-CG 4.38Å; F766-E797 WeakPolarHBondContact CD1-OE1 3.44Å; S767-E797 PolarHBondContact O-N 3.18Å; C768-E797 HydrophobicContact CB-CB 4.04Å; C768-E797 PolarHBondContact SG-O 3.23Å; K795-E797 PolarHBondContact O-N 3.25Å; E797-F799 HydrophobicContact CB-CD2 3.62Å; E797-F799 HydrophobicContact CB-CE2 3.33Å; E797-F799 HydrophobicContact CB-CZ 4.02Å; E797-F799 HydrophobicContact CG-CD2 4.5Å; E797-F799 HydrophobicContact CG-CE2 3.73Å; E797-F799 HydrophobicContact CG-CZ 4.07Å; E797-F799 PolarHBondContact O-N 3.14Å
798	T	59.9	Low	75.5	Confident	101 Å²	101	58.9 Å²	58.9	62%	0.62	31%	0.307	S	S	*	.			trans	-95.9	85.5	170.7	56.3	0	0	0	0	108.6	L796	L796-T798 HydrophobicContact CD2-CG2 4.2Å; L796-T798 HydrophobicContact CG-CG2 4.2Å
799	F	54.3	Low	76.2	Confident	57 Å²	57	44.3 Å²	44.3	25%	0.25	25%	0.248	C	C	.	.			trans	-82.4	0	176.2	-68.6	-70.4	0	0	0	112.7	G532 W534 P624 C768 E797	G532-F799 WeakPolarHBondContact O-CD1 3.49Å; W534-F799 VanDerWaalsContact CD1-OXT 3.3Å; P624-F799 HydrophobicContact CB-CB 3.79Å; P624-F799 HydrophobicContact CB-CD1 3.62Å; P624-F799 HydrophobicContact CB-CD2 3.31Å; P624-F799 HydrophobicContact CB-CE1 3.91Å; P624-F799 HydrophobicContact CB-CE2 3.56Å; P624-F799 HydrophobicContact CB-CG 3.3Å; P624-F799 HydrophobicContact CB-CZ 3.89Å; P624-F799 HydrophobicContact CG-CB 3.64Å; P624-F799 HydrophobicContact CG-CD1 4.28Å; P624-F799 HydrophobicContact CG-CD2 3.12Å; P624-F799 HydrophobicContact CG-CE2 3.68Å; P624-F799 HydrophobicContact CG-CG 3.44Å; P624-F799 VanDerWaalsContact CG-CG 3.44Å; P624-F799 HydrophobicContact CG-CZ 4.49Å; C768-F799 HydrophobicContact CB-CD2 3.97Å; C768-F799 HydrophobicContact CB-CE2 4.33Å; E797-F799 HydrophobicContact CB-CD2 3.62Å; E797-F799 HydrophobicContact CB-CE2 3.33Å; E797-F799 HydrophobicContact CB-CZ 4.02Å; E797-F799 HydrophobicContact CG-CD2 4.5Å; E797-F799 HydrophobicContact CG-CE2 3.73Å; E797-F799 HydrophobicContact CG-CZ 4.07Å; E797-F799 PolarHBondContact O-N 3.14Å

Retrieved 799 of 799 residues in 166.9 ms (Link to these results)

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