A0A3Q0KDR5_SCHMA Loading...

Dynamin-like GTPase OPA1, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KDR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 917 aa.

						>A0A3Q0KDR5_SCHMA|A0A3Q0KDR5
MLNRSRIIVSPLVFQKRTIAGQIGKLASRLLKLRYLVVGAGVGGSYTISKKYDEFKDSLSKLTLEDYVPIDRINETIQLIKEYAASVGGSGKSGSGFFSGFEKKPPIPNEHEDVKGPSSAFVSDTNDDLQKPVKQKPKQISVEELQEALLKNELAFHKRIEALLQENRELRSELLLKSQKSLQKGRINKSLIDMYSEVLDELSDLDSAYNAQDQLPRVVVVGDQSSGKTSVLEMIAQARIFPRGGGEMMTRSPVKVTLSEGPYHVASFKDGSREYDLTKESELASLRKEIEMRMKALVSGGKTVSTDVISLNVKGPGLQRMVLVDLPGIISTVTTGMQSGTRETIQDVARQYMSNPNAIILCVQDGSIDAERSNVTDLVSSVDPSGKRTIFVLTKVDLAESNLHSPDRIRQILEGKLFPMKALGYFAVVTGKGTKDESIDSIKEYEENFFRHSRLFKEGTLRMSQMTTANLSKAVSERFWKMVKDSVEQQADTYRAIRYNLETEWKNLFPHLREMDREELFEKARNNILDDLISLNGISSTVWEKNIHYELWNKLKDYIFTKIIEPSQHIDDIGTFQTNVDIWLRDWVENKLPKASIETGLQTLYNQLDSKLKTMQDVPGYDPVFDPLKEAVHQEIRKRHHWDPKAESRLRVIQSNALDDHTVHTKSQWTAAVDLLEQAVKARLKDVNQSITSSFGPGWVEQWTRWRKRTAEQDARLQTAQEIENLLISLPKPSAHINQDDLTTIRRNLQARNVPVTDKIVRETWEPLVQRFYLERSLFACQECRKGFYYYQHGFLNTSFNKSSNANEQISNAAEHSRLRKDSLSSDFPDCREVILFSRLNRMMNATSNALRQQIMNDEARRLEHYVKQALNELSNDPIRVKKLITGKRVQLAEDLSRTRHIQEKLEEFIAALKASE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	34.1	Very low	241 Å²	241	157.4 Å²	157.4	100%	1.187	80%	0.798	S	S	*	*				0	113.6	0	-75.8	-162.8	179.7	0	0	108.4	N3	M1-N3 PolarHBondContact O-N 3.01Å; M1-N3 VanDerWaalsContact O-N 3.15Å
2	L	36	Very low	34.3	Very low	176 Å²	176	154.2 Å²	154.2	92%	0.921	78%	0.784	S	S	*	*			trans	-67.7	106.5	-178.1	-76.7	152.9	0	0	0	110	R4	L2-R4 PolarHBondContact O-N 2.91Å
3	N	30.9	Very low	35	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	75%	0.754	S	S	*	*			trans	-65.5	105.1	171.7	-98.5	-13.7	0	0	0	109.1	M1 S5	M1-N3 PolarHBondContact O-N 3.01Å; M1-N3 VanDerWaalsContact O-N 3.15Å; N3-S5 PolarHBondContact O-N 3.41Å
4	R	33.5	Very low	35.2	Very low	238 Å²	238	147 Å²	147	90%	0.898	75%	0.745	S	S	*	*			trans	-66.2	109.2	177.1	-72.4	177.4	171.5	178.9	-2.9	110.1	L2 R6	L2-R4 PolarHBondContact O-N 2.91Å; R4-R6 PolarHBondContact O-N 3.18Å
5	S	36.5	Very low	35.7	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	73%	0.733	S	S	*	*			trans	-65.1	113	161.5	40.1	0	0	0	0	109.2	N3 I7	N3-S5 PolarHBondContact O-N 3.41Å; S5-I7 PolarHBondContact O-N 3.42Å
6	R	30.3	Very low	36.1	Very low	237 Å²	237	145.9 Å²	145.9	89%	0.894	73%	0.729	S	S	*	*			trans	-69.1	110.5	172.1	-75.9	178.6	174.1	172.1	-1.9	108.7	R4 I8	R4-R6 PolarHBondContact O-N 3.18Å; R6-I8 PolarHBondContact O-N 3.17Å
7	I	39.2	Very low	36.7	Very low	149 Å²	149	148.7 Å²	148.7	76%	0.764	73%	0.729	S	S	*	*			trans	-67.6	108.5	167.4	-63.2	168.2	0	0	0	107.4	S5 V9	S5-I7 PolarHBondContact O-N 3.42Å; I7-V9 HydrophobicContact CG2-CG2 4.1Å; I7-V9 PolarHBondContact O-N 3.26Å; I7-V9 VanDerWaalsContact O-N 3.15Å
8	I	34	Very low	37.3	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	72%	0.716	S	S	*	*			trans	-76.8	96.1	172.9	-59.5	172	0	0	0	106.8	R6	R6-I8 PolarHBondContact O-N 3.17Å
9	V	32.6	Very low	37.9	Very low	88 Å²	88	141.1 Å²	141.1	53%	0.533	70%	0.698	S	S	.	*			trans	-73.3	123.3	171.1	178.2	0	0	0	0	108.2	I7 V13	I7-V9 HydrophobicContact CG2-CG2 4.1Å; I7-V9 PolarHBondContact O-N 3.26Å; I7-V9 VanDerWaalsContact O-N 3.15Å; V9-V13 HydrophobicContact CG1-CB 4.13Å; V9-V13 HydrophobicContact CG1-CG1 4.29Å
10	S	33.3	Very low	38.6	Very low	60 Å²	60	137 Å²	137	42%	0.42	69%	0.687	S	S	.	*			trans	-66.3	143.7	-177.3	60.6	0	0	0	0	112.4	L12 V13	S10-L12 PolarHBondContact O-N 2.82Å; S10-L12 VanDerWaalsContact O-N 3.13Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.07Å
11	P	37	Very low	39.2	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	67%	0.674	S	S	*	*	H	α-helix	trans	-60.9	-24.7	-174.3	18.3	-29.1	0	0	0	114.4	V13 F14 Q15	P11-V13 VanDerWaalsContact C-N 3.32Å; P11-V13 PolarHBondContact O-N 2.96Å; P11-F14 PolarHBondContact O-N 3.14Å; P11-Q15 PolarHBondContact O-N 3.42Å
12	L	36.5	Very low	40.2	Very low	119 Å²	119	123.8 Å²	123.8	62%	0.623	63%	0.631	S	S	*	*	H	α-helix	trans	-62.4	-34.6	174.6	-84.1	159.4	0	0	0	113.1	S10 K16	S10-L12 PolarHBondContact O-N 2.82Å; S10-L12 VanDerWaalsContact O-N 3.13Å; L12-K16 WeakPolarHBondContact O-CG 3.31Å; L12-K16 PolarHBondContact O-N 2.86Å
13	V	43.9	Very low	40.8	Very low	66 Å²	66	119.8 Å²	119.8	40%	0.4	61%	0.61	S	S	.	*	H	α-helix	trans	-72.5	-35.1	177.4	-179.9	0	0	0	0	110.7	V9 S10 P11 K16 R17	V9-V13 HydrophobicContact CG1-CB 4.13Å; V9-V13 HydrophobicContact CG1-CG1 4.29Å; S10-V13 PolarHBondContact O-N 3.31Å; S10-V13 VanDerWaalsContact O-N 3.07Å; P11-V13 VanDerWaalsContact C-N 3.32Å; P11-V13 PolarHBondContact O-N 2.96Å; V13-K16 PolarHBondContact O-N 3.33Å; V13-R17 PolarHBondContact O-N 3.49Å
14	F	37.8	Very low	42	Very low	142 Å²	142	113.8 Å²	113.8	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-43.7	173.9	-127.7	-83.6	0	0	0	111	P11 K16 R17 T18	P11-F14 PolarHBondContact O-N 3.14Å; F14-K16 PolarHBondContact O-N 2.89Å; F14-R17 PolarHBondContact O-N 3.1Å; F14-T18 PolarHBondContact O-N 3.16Å; F14-T18 PolarHBondContact O-OG1 3.33Å
15	Q	42	Very low	43	Very low	120 Å²	120	108.6 Å²	108.6	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-59.8	-44.7	174.4	-119.9	178.6	-10.8	0	0	112	P11 R17 T18 I19	P11-Q15 PolarHBondContact O-N 3.42Å; Q15-R17 PolarHBondContact O-N 2.94Å; Q15-T18 PolarHBondContact O-N 3.2Å; Q15-I19 WeakPolarHBondContact O-CB 3.25Å; Q15-I19 WeakPolarHBondContact O-CD1 3.37Å; Q15-I19 WeakPolarHBondContact O-CG1 3.35Å; Q15-I19 PolarHBondContact O-N 2.78Å
16	K	43.2	Very low	44	Very low	156 Å²	156	104.8 Å²	104.8	68%	0.678	54%	0.542	S	S	*	.	H	α-helix	trans	-61.3	-39.6	175.5	-77.2	-175.3	178.4	-175.8	0	112.8	L12 V13 F14 A20	L12-K16 WeakPolarHBondContact O-CG 3.31Å; L12-K16 PolarHBondContact O-N 2.86Å; V13-K16 PolarHBondContact O-N 3.33Å; F14-K16 PolarHBondContact O-N 2.89Å; K16-A20 WeakPolarHBondContact O-CB 3.22Å; K16-A20 PolarHBondContact O-N 3.04Å
17	R	45.4	Very low	45.1	Very low	194 Å²	194	95.6 Å²	95.6	73%	0.732	52%	0.516	S	S	*	.	H	α-helix	trans	-70.3	-39.1	177.2	-81.1	-174.1	174.3	176.5	-0.6	112.9	V13 F14 Q15 A20 G21	V13-R17 PolarHBondContact O-N 3.49Å; F14-R17 PolarHBondContact O-N 3.1Å; Q15-R17 PolarHBondContact O-N 2.94Å; R17-A20 PolarHBondContact O-N 3.01Å; R17-G21 PolarHBondContact O-N 2.98Å
18	T	48.5	Very low	45.9	Very low	79 Å²	79	91.4 Å²	91.4	49%	0.485	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-41.3	177.6	-44.1	0	0	0	0	111.1	F14 Q15 G21 Q22	F14-T18 PolarHBondContact O-N 3.16Å; F14-T18 PolarHBondContact O-OG1 3.33Å; Q15-T18 PolarHBondContact O-N 3.2Å; T18-G21 PolarHBondContact O-N 3.47Å; T18-Q22 VanDerWaalsContact O-CG 3.29Å; T18-Q22 WeakPolarHBondContact O-CG 3.43Å; T18-Q22 PolarHBondContact O-N 3.13Å
19	I	48.3	Very low	47	Very low	74 Å²	74	86.7 Å²	86.7	38%	0.379	47%	0.473	S	S	.	.	H	α-helix	trans	-65.2	-44.9	174.1	-66.1	165.8	0	0	0	110.4	Q15 G21 Q22 I23	Q15-I19 WeakPolarHBondContact O-CB 3.25Å; Q15-I19 WeakPolarHBondContact O-CD1 3.37Å; Q15-I19 WeakPolarHBondContact O-CG1 3.35Å; Q15-I19 PolarHBondContact O-N 2.78Å; I19-G21 VanDerWaalsContact C-N 3.28Å; I19-G21 PolarHBondContact O-N 3.42Å; I19-Q22 PolarHBondContact O-N 3.08Å; I19-Q22 VanDerWaalsContact O-N 3.17Å; I19-I23 HydrophobicContact CG2-CD1 3.6Å; I19-I23 HydrophobicContact CG2-CG1 4.18Å; I19-I23 WeakPolarHBondContact O-CB 3.37Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 3.24Å
20	A	50.7	Low	48.1	Very low	58 Å²	58	85.1 Å²	85.1	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-61	-35.9	174.5	0	0	0	0	0	112.4	K16 R17 G24	K16-A20 WeakPolarHBondContact O-CB 3.22Å; K16-A20 PolarHBondContact O-N 3.04Å; R17-A20 PolarHBondContact O-N 3.01Å; A20-G24 WeakPolarHBondContact O-CA 3.42Å; A20-G24 PolarHBondContact O-N 3.06Å
21	G	52.2	Low	49.1	Very low	39 Å²	39	86.3 Å²	86.3	40%	0.402	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-38.2	173.9	0	0	0	0	0	113.3	R17 T18 I19 K25	R17-G21 PolarHBondContact O-N 2.98Å; T18-G21 PolarHBondContact O-N 3.47Å; I19-G21 VanDerWaalsContact C-N 3.28Å; I19-G21 PolarHBondContact O-N 3.42Å; G21-K25 WeakPolarHBondContact O-CG 3.37Å; G21-K25 PolarHBondContact O-N 3.03Å
22	Q	51.6	Low	49.8	Very low	62 Å²	62	87.7 Å²	87.7	29%	0.29	46%	0.457	S	S	.	.	H	α-helix	trans	-69.7	-44.9	174.7	-70.7	-108	-4.8	0	0	111.5	T18 I19 G24 K25 L26	T18-Q22 VanDerWaalsContact O-CG 3.29Å; T18-Q22 WeakPolarHBondContact O-CG 3.43Å; T18-Q22 PolarHBondContact O-N 3.13Å; I19-Q22 PolarHBondContact O-N 3.08Å; I19-Q22 VanDerWaalsContact O-N 3.17Å; Q22-G24 VanDerWaalsContact C-N 3.33Å; Q22-G24 PolarHBondContact O-N 3.45Å; Q22-K25 PolarHBondContact O-N 2.68Å; Q22-L26 PolarHBondContact O-N 3.09Å
23	I	50.1	Low	50.7	Low	93 Å²	93	83.5 Å²	83.5	48%	0.477	44%	0.435	S	S	.	.	H	α-helix	trans	-62.6	-40.2	173.1	-67.1	172.2	0	0	0	110.5	I19 L26 A27	I19-I23 HydrophobicContact CG2-CD1 3.6Å; I19-I23 HydrophobicContact CG2-CG1 4.18Å; I19-I23 WeakPolarHBondContact O-CB 3.37Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.5Å; I19-I23 PolarHBondContact O-N 3.24Å; I23-L26 PolarHBondContact O-N 3.43Å; I23-A27 VanDerWaalsContact O-CB 3.24Å; I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 2.85Å
24	G	55.3	Low	51.1	Low	40 Å²	40	88.6 Å²	88.6	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-40.2	175.1	0	0	0	0	0	112.6	A20 Q22 A27 S28	A20-G24 WeakPolarHBondContact O-CA 3.42Å; A20-G24 PolarHBondContact O-N 3.06Å; Q22-G24 VanDerWaalsContact C-N 3.33Å; Q22-G24 PolarHBondContact O-N 3.45Å; G24-A27 PolarHBondContact O-N 2.82Å; G24-S28 WeakPolarHBondContact O-CB 3.34Å; G24-S28 PolarHBondContact O-N 3.29Å
25	K	55.2	Low	51.8	Low	128 Å²	128	90.1 Å²	90.1	56%	0.557	45%	0.45	S	S	*	.	H	α-helix	trans	-64.2	-44.9	172.6	-77.1	175.8	-177.7	177.9	0	111.4	G21 Q22 S28 R29	G21-K25 WeakPolarHBondContact O-CG 3.37Å; G21-K25 PolarHBondContact O-N 3.03Å; Q22-K25 PolarHBondContact O-N 2.68Å; K25-S28 PolarHBondContact O-N 3.25Å; K25-S28 PolarHBondContact O-OG 3.49Å; K25-R29 WeakPolarHBondContact O-CB 3.14Å; K25-R29 VanDerWaalsContact O-CG 3.31Å; K25-R29 WeakPolarHBondContact O-CG 3.34Å; K25-R29 PolarHBondContact O-N 3.39Å
26	L	57.3	Low	52.5	Low	29 Å²	29	86 Å²	86	15%	0.152	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-45.6	174.6	-168.4	89.7	0	0	0	111.2	Q22 I23 S28 R29 L30 L62 V68	Q22-L26 PolarHBondContact O-N 3.09Å; I23-L26 PolarHBondContact O-N 3.43Å; L26-S28 PolarHBondContact O-N 3.27Å; L26-R29 CarbonylContact O-C 3.52Å; L26-R29 WeakPolarHBondContact O-CB 3.48Å; L26-R29 PolarHBondContact O-N 3.29Å; L26-R29 VanDerWaalsContact O-N 3.12Å; L26-L30 HydrophobicContact CD2-CD1 3.95Å; L26-L30 HydrophobicContact CG-CD1 4.02Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.19Å; L26-L62 HydrophobicContact CD1-CD1 4.47Å; L26-V68 HydrophobicContact CD2-CG1 4.15Å; L26-V68 HydrophobicContact CD2-CG2 3.89Å
27	A	52.9	Low	53	Low	44 Å²	44	82.1 Å²	82.1	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-63.9	-40.6	178	0	0	0	0	0	112.1	I23 G24 R29 L30 L31	I23-A27 VanDerWaalsContact O-CB 3.24Å; I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 2.85Å; G24-A27 PolarHBondContact O-N 2.82Å; A27-R29 VanDerWaalsContact C-N 3.25Å; A27-R29 PolarHBondContact O-N 3.06Å; A27-L30 PolarHBondContact O-N 3.05Å; A27-L31 WeakPolarHBondContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.29Å; A27-L31 PolarHBondContact O-N 3.34Å
28	S	56.2	Low	53.4	Low	62 Å²	62	77.8 Å²	77.8	43%	0.434	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-33.6	173.3	85.7	0	0	0	0	112.2	G24 K25 L26 K32	G24-S28 WeakPolarHBondContact O-CB 3.34Å; G24-S28 PolarHBondContact O-N 3.29Å; K25-S28 PolarHBondContact O-N 3.25Å; K25-S28 PolarHBondContact O-OG 3.49Å; L26-S28 PolarHBondContact O-N 3.27Å; S28-K32 PolarHBondContact O-N 3.38Å
29	R	57.1	Low	53.3	Low	61 Å²	61	75.6 Å²	75.6	23%	0.23	41%	0.408	C	S	.	.	H	α-helix	trans	-77.5	-39.6	177.7	-74.2	178.8	-175.7	-162.3	-2.2	111.1	K25 L26 A27 L31 K32 L33 F55 S58 L62	K25-R29 WeakPolarHBondContact O-CB 3.14Å; K25-R29 VanDerWaalsContact O-CG 3.31Å; K25-R29 WeakPolarHBondContact O-CG 3.34Å; K25-R29 PolarHBondContact O-N 3.39Å; L26-R29 CarbonylContact O-C 3.52Å; L26-R29 WeakPolarHBondContact O-CB 3.48Å; L26-R29 PolarHBondContact O-N 3.29Å; L26-R29 VanDerWaalsContact O-N 3.12Å; A27-R29 VanDerWaalsContact C-N 3.25Å; A27-R29 PolarHBondContact O-N 3.06Å; R29-L31 VanDerWaalsContact C-N 3.34Å; R29-K32 VanDerWaalsContact O-CB 3.27Å; R29-K32 WeakPolarHBondContact O-CB 3.33Å; R29-K32 PolarHBondContact O-N 3.28Å; R29-L33 PolarHBondContact O-N 3.22Å; R29-F55 HydrophobicContact CB-CE2 3.89Å; R29-F55 HydrophobicContact CB-CZ 4.48Å; R29-F55 WeakPolarHBondContact O-CE2 3.33Å; R29-S58 PolarHBondContact NH1-O 3.08Å; R29-L62 VanDerWaalsContact NH1-CD1 3.29Å
30	L	56	Low	53.2	Low	54 Å²	54	73.3 Å²	73.3	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-30.7	172.2	-73.2	170.4	0	0	0	112.6	L26 A27 K32 L33 R34	L26-L30 HydrophobicContact CD2-CD1 3.95Å; L26-L30 HydrophobicContact CG-CD1 4.02Å; L26-L30 HydrophobicContact CG-CG 4.45Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.19Å; A27-L30 PolarHBondContact O-N 3.05Å; L30-K32 PolarHBondContact O-N 2.96Å; L30-L33 HydrophobicContact CD2-CD1 4.19Å; L30-L33 WeakPolarHBondContact O-CA 3.3Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.23Å; L30-R34 PolarHBondContact O-N 3.32Å
31	L	52.9	Low	52.9	Low	85 Å²	85	73.9 Å²	73.9	45%	0.445	41%	0.412	S	S	.	.	H	α-helix	trans	-59.6	-33	168.1	-85.2	161.7	0	0	0	111.5	A27 R29 L33 R34 Y35	A27-L31 WeakPolarHBondContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.29Å; A27-L31 PolarHBondContact O-N 3.34Å; R29-L31 VanDerWaalsContact C-N 3.34Å; L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 PolarHBondContact O-N 3.35Å; L31-R34 WeakPolarHBondContact O-CB 3.22Å; L31-R34 PolarHBondContact O-N 3.34Å; L31-Y35 VanDerWaalsContact O-CD2 3.32Å; L31-Y35 WeakPolarHBondContact O-CD2 3.16Å; L31-Y35 PolarHBondContact O-N 3.36Å; L31-Y35 VanDerWaalsContact O-N 3.09Å
32	K	53.7	Low	53	Low	137 Å²	137	78.4 Å²	78.4	60%	0.596	43%	0.432	S	S	*	.	H	α-helix	trans	-65.9	-30.7	170.8	-63.7	-176	176.1	-175.3	0	112	S28 R29 L30 Y35 L36	S28-K32 PolarHBondContact O-N 3.38Å; R29-K32 VanDerWaalsContact O-CB 3.27Å; R29-K32 WeakPolarHBondContact O-CB 3.33Å; R29-K32 PolarHBondContact O-N 3.28Å; L30-K32 PolarHBondContact O-N 2.96Å; K32-Y35 CarbonylContact O-C 3.59Å; K32-Y35 WeakPolarHBondContact O-CB 3.4Å; K32-Y35 PolarHBondContact O-N 3.2Å; K32-L36 WeakPolarHBondContact O-CB 3.32Å; K32-L36 PolarHBondContact O-N 3.3Å
33	L	54.9	Low	52.4	Low	30 Å²	30	76.7 Å²	76.7	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-67.8	-39.3	174.2	-138.8	147.2	0	0	0	111.2	R29 L30 L31 Y35 L36 V37 F55 I77 I80	R29-L33 PolarHBondContact O-N 3.22Å; L30-L33 HydrophobicContact CD2-CD1 4.19Å; L30-L33 WeakPolarHBondContact O-CA 3.3Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.23Å; L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 PolarHBondContact O-N 3.35Å; L33-Y35 VanDerWaalsContact C-N 3.3Å; L33-Y35 PolarHBondContact O-N 3.06Å; L33-L36 WeakPolarHBondContact O-CB 3.34Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-V37 WeakPolarHBondContact O-CG2 3.35Å; L33-V37 PolarHBondContact O-N 3.46Å; L33-F55 HydrophobicContact CD1-CE1 3.79Å; L33-F55 HydrophobicContact CD1-CZ 4.06Å; L33-I77 HydrophobicContact CD1-CD1 4.31Å; L33-I77 HydrophobicContact CD1-CG1 4.25Å; L33-I80 HydrophobicContact CD2-CD1 3.59Å
34	R	52.5	Low	52.1	Low	174 Å²	174	75 Å²	75	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-56.2	-42	167.3	-176.2	-173.6	-179.4	-171.9	0.5	111.9	L30 L31 V38	L30-R34 PolarHBondContact O-N 3.32Å; L31-R34 WeakPolarHBondContact O-CB 3.22Å; L31-R34 PolarHBondContact O-N 3.34Å; R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 2.59Å
35	Y	52	Low	51.7	Low	174 Å²	174	77 Å²	77	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-73.4	-24.4	174.6	-84	-76.7	0	0	0	113.7	L31 K32 L33 G39	L31-Y35 VanDerWaalsContact O-CD2 3.32Å; L31-Y35 WeakPolarHBondContact O-CD2 3.16Å; L31-Y35 PolarHBondContact O-N 3.36Å; L31-Y35 VanDerWaalsContact O-N 3.09Å; K32-Y35 CarbonylContact O-C 3.59Å; K32-Y35 WeakPolarHBondContact O-CB 3.4Å; K32-Y35 PolarHBondContact O-N 3.2Å; L33-Y35 VanDerWaalsContact C-N 3.3Å; L33-Y35 PolarHBondContact O-N 3.06Å; Y35-G39 WeakPolarHBondContact O-CA 3.24Å; Y35-G39 PolarHBondContact O-N 2.8Å
36	L	56.8	Low	51.6	Low	32 Å²	32	80.1 Å²	80.1	17%	0.168	45%	0.453	C	S	.	.	H	α-helix	trans	-75.9	-39.4	177.9	-154.5	153.5	0	0	0	110.5	K32 L33 G39 A40 I48	K32-L36 WeakPolarHBondContact O-CB 3.32Å; K32-L36 PolarHBondContact O-N 3.3Å; L33-L36 WeakPolarHBondContact O-CB 3.34Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-G39 PolarHBondContact O-N 3.23Å; L36-A40 WeakPolarHBondContact O-CB 3.14Å; L36-A40 PolarHBondContact O-N 2.58Å; L36-I48 HydrophobicContact CD2-CG2 3.87Å
37	V	54.4	Low	51.5	Low	76 Å²	76	82.3 Å²	82.3	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-41.8	172	177.5	0	0	0	0	111.5	L33 I80	L33-V37 WeakPolarHBondContact O-CG2 3.35Å; L33-V37 PolarHBondContact O-N 3.46Å; V37-I80 HydrophobicContact CG2-CD1 3.7Å; V37-I80 HydrophobicContact CG2-CG1 4.13Å; V37-I80 HydrophobicContact CG2-CG2 4.26Å
38	V	53.4	Low	51.5	Low	103 Å²	103	81.6 Å²	81.6	62%	0.624	46%	0.458	S	S	*	.	H	α-helix	trans	-72.4	-37.1	175.6	175.4	0	0	0	0	111.8	R34 A40 G41	R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 2.59Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.37Å; V38-G41 PolarHBondContact O-N 3.5Å
39	G	46.7	Very low	51.6	Low	32 Å²	32	81.6 Å²	81.6	33%	0.33	46%	0.458	S	S	.	.	H	α-helix	trans	-72.3	-22.4	179.3	0	0	0	0	0	114.1	Y35 L36 G41 V42 G43	Y35-G39 WeakPolarHBondContact O-CA 3.24Å; Y35-G39 PolarHBondContact O-N 2.8Å; L36-G39 PolarHBondContact O-N 3.23Å; G39-G41 PolarHBondContact O-N 2.83Å; G39-V42 PolarHBondContact O-N 2.8Å; G39-G43 PolarHBondContact O-N 3.33Å; G39-G43 VanDerWaalsContact O-N 3.1Å
40	A	46.5	Very low	51.8	Low	27 Å²	27	84.9 Å²	84.9	22%	0.223	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.8	173.3	0	0	0	0	0	112.8	L36 V38 V42 I48	L36-A40 WeakPolarHBondContact O-CB 3.14Å; L36-A40 PolarHBondContact O-N 2.58Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.37Å; A40-V42 VanDerWaalsContact C-N 3.33Å; A40-I48 HydrophobicContact CB-CD1 3.84Å
41	G	43.4	Very low	52.1	Low	69 Å²	69	89 Å²	89	71%	0.711	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.3	173.7	0	0	0	0	0	115.1	V38 G39	V38-G41 PolarHBondContact O-N 3.5Å; G39-G41 PolarHBondContact O-N 2.83Å
42	V	53.3	Low	52.7	Low	135 Å²	135	86.8 Å²	86.8	82%	0.818	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	-23.4	-168.6	-169.7	0	0	0	0	114.1	G39 A40	G39-V42 PolarHBondContact O-N 2.8Å; A40-V42 VanDerWaalsContact C-N 3.33Å
43	G	40.5	Very low	53.1	Low	25 Å²	25	83.5 Å²	83.5	26%	0.258	46%	0.464	S	S	.	.	S	Bend	trans	-121.4	118.3	177.6	0	0	0	0	0	111.6	G39 T47	G39-G43 PolarHBondContact O-N 3.33Å; G39-G43 VanDerWaalsContact O-N 3.1Å; G43-T47 PolarHBondContact O-OG1 3.14Å
44	G	42.6	Very low	53.6	Low	59 Å²	59	87.5 Å²	87.5	61%	0.608	48%	0.482	S	S	*	.			trans	-50.6	157.5	-179	0	0	0	0	0	114.8	Y46 T47	G44-Y46 PolarHBondContact O-N 3.2Å; G44-T47 PolarHBondContact O-N 3.21Å; G44-T47 PolarHBondContact O-OG1 2.6Å
45	S	48	Very low	54	Low	80 Å²	80	80.1 Å²	80.1	56%	0.559	46%	0.455	S	S	*	.	H	α-helix	trans	-43.6	-34.3	-168.6	60	0	0	0	0	116.4	T47 I48 S49	S45-T47 PolarHBondContact O-N 3.39Å; S45-I48 WeakPolarHBondContact O-CB 3.27Å; S45-I48 PolarHBondContact O-N 3.49Å; S45-I48 VanDerWaalsContact O-N 3.16Å; S45-S49 PolarHBondContact O-N 2.69Å; S45-S49 VanDerWaalsContact O-N 3.11Å
46	Y	53.2	Low	54.3	Low	194 Å²	194	77.5 Å²	77.5	76%	0.761	45%	0.447	S	S	*	.	H	α-helix	trans	-63.6	-37.5	179.1	-168.5	-100.4	0	0	0	113.2	G44 I48 K50	G44-Y46 PolarHBondContact O-N 3.2Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 2.98Å; Y46-K50 PolarHBondContact O-N 3.13Å
47	T	53.9	Low	54.5	Low	75 Å²	75	81.1 Å²	81.1	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-72.2	-25.9	175.7	56.9	0	0	0	0	112.7	G43 G44 S45 K51	G43-T47 PolarHBondContact O-OG1 3.14Å; G44-T47 PolarHBondContact O-N 3.21Å; G44-T47 PolarHBondContact O-OG1 2.6Å; S45-T47 PolarHBondContact O-N 3.39Å; T47-K51 WeakPolarHBondContact O-CB 3.24Å; T47-K51 WeakPolarHBondContact O-CG 3.39Å; T47-K51 PolarHBondContact O-N 2.99Å; T47-K51 VanDerWaalsContact O-N 3.17Å
48	I	53.8	Low	54.6	Low	30 Å²	30	79.2 Å²	79.2	15%	0.154	46%	0.456	C	S	.	.	H	α-helix	trans	-72.7	-48	177.3	-62.2	171.6	0	0	0	110.7	L36 A40 S45 Y46 K50 K51 Y52	L36-I48 HydrophobicContact CD2-CG2 3.87Å; A40-I48 HydrophobicContact CB-CD1 3.84Å; S45-I48 WeakPolarHBondContact O-CB 3.27Å; S45-I48 PolarHBondContact O-N 3.49Å; S45-I48 VanDerWaalsContact O-N 3.16Å; Y46-I48 VanDerWaalsContact C-N 3.3Å; Y46-I48 PolarHBondContact O-N 2.98Å; I48-K50 PolarHBondContact O-N 3.02Å; I48-K51 PolarHBondContact O-N 3Å; I48-Y52 WeakPolarHBondContact O-CB 3.06Å; I48-Y52 PolarHBondContact O-N 2.86Å
49	S	57.8	Low	54.8	Low	61 Å²	61	76.9 Å²	76.9	43%	0.427	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-47.3	179	-164	0	0	0	0	110.8	S45 K51 Y52 D53	S45-S49 PolarHBondContact O-N 2.69Å; S45-S49 VanDerWaalsContact O-N 3.11Å; S49-K51 PolarHBondContact O-N 3.48Å; S49-Y52 CarbonylContact O-C 3.54Å; S49-Y52 WeakPolarHBondContact O-CB 3.17Å; S49-Y52 PolarHBondContact O-N 2.99Å; S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.26Å; S49-D53 PolarHBondContact OG-OD2 3.17Å
50	K	61.6	Low	55.2	Low	130 Å²	130	79.9 Å²	79.9	57%	0.565	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-44.1	179.2	-169.2	177.2	178.2	178.4	0	112.6	Y46 I48 D53 E54	Y46-K50 PolarHBondContact O-N 3.13Å; I48-K50 PolarHBondContact O-N 3.02Å; K50-D53 PolarHBondContact O-N 3.28Å; K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 WeakPolarHBondContact O-CG 3.48Å; K50-E54 PolarHBondContact O-N 3.24Å
51	K	63	Low	55.5	Low	141 Å²	141	86.8 Å²	86.8	61%	0.613	48%	0.481	S	S	*	.	H	α-helix	trans	-69.2	-31.8	176.1	-78.7	-166	176.5	-178	0	113.1	T47 I48 S49 F55	T47-K51 WeakPolarHBondContact O-CB 3.24Å; T47-K51 WeakPolarHBondContact O-CG 3.39Å; T47-K51 PolarHBondContact O-N 2.99Å; T47-K51 VanDerWaalsContact O-N 3.17Å; I48-K51 PolarHBondContact O-N 3Å; S49-K51 PolarHBondContact O-N 3.48Å; K51-F55 VanDerWaalsContact O-CB 3.26Å; K51-F55 WeakPolarHBondContact O-CB 3.5Å; K51-F55 PolarHBondContact O-N 3.44Å
52	Y	63.9	Low	56	Low	39 Å²	39	85.5 Å²	85.5	15%	0.153	46%	0.458	C	S	.	.	H	α-helix	trans	-67.7	-45.5	172.5	169	-93.3	0	0	0	111.2	I48 S49 F55 K56 I77	I48-Y52 WeakPolarHBondContact O-CB 3.06Å; I48-Y52 PolarHBondContact O-N 2.86Å; S49-Y52 CarbonylContact O-C 3.54Å; S49-Y52 WeakPolarHBondContact O-CB 3.17Å; S49-Y52 PolarHBondContact O-N 2.99Å; Y52-F55 CarbonylContact O-C 3.58Å; Y52-F55 WeakPolarHBondContact O-CB 3.2Å; Y52-F55 PolarHBondContact O-N 2.91Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; Y52-K56 HydrophobicContact CE1-CD 4.13Å; Y52-K56 WeakPolarHBondContact O-CB 3.3Å; Y52-K56 PolarHBondContact O-N 2.89Å; Y52-I77 HydrophobicContact CE2-CG2 3.67Å
53	D	63.8	Low	55.6	Low	68 Å²	68	85.6 Å²	85.6	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-44.1	178.4	-66.3	-36.1	0	0	0	110.2	S49 K50 F55 K56 D57	S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.26Å; S49-D53 PolarHBondContact OG-OD2 3.17Å; K50-D53 PolarHBondContact O-N 3.28Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.49Å; D53-K56 PolarHBondContact O-N 2.79Å; D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 2.68Å
54	E	64.5	Low	56	Low	113 Å²	113	86 Å²	86	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-58.1	-38	170.3	-76.5	173.9	-168.4	0	0	112.7	K50 S58	K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 WeakPolarHBondContact O-CG 3.48Å; K50-E54 PolarHBondContact O-N 3.24Å; E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 VanDerWaalsContact O-N 3.15Å
55	F	61.4	Low	56.1	Low	19 Å²	19	90.9 Å²	90.9	8%	0.083	46%	0.462	C	S	.	.	H	α-helix	trans	-71.5	-43.9	177.4	178.3	-103.6	0	0	0	112.2	R29 L33 K51 Y52 D53 S58 L59	R29-F55 HydrophobicContact CB-CE2 3.89Å; R29-F55 HydrophobicContact CB-CZ 4.48Å; R29-F55 WeakPolarHBondContact O-CE2 3.33Å; L33-F55 HydrophobicContact CD1-CE1 3.79Å; L33-F55 HydrophobicContact CD1-CZ 4.06Å; K51-F55 VanDerWaalsContact O-CB 3.26Å; K51-F55 WeakPolarHBondContact O-CB 3.5Å; K51-F55 PolarHBondContact O-N 3.44Å; Y52-F55 CarbonylContact O-C 3.58Å; Y52-F55 WeakPolarHBondContact O-CB 3.2Å; Y52-F55 PolarHBondContact O-N 2.91Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.49Å; F55-S58 WeakPolarHBondContact O-CA 3.27Å; F55-S58 WeakPolarHBondContact O-CB 3.36Å; F55-S58 PolarHBondContact O-N 3.12Å; F55-S58 VanDerWaalsContact O-N 3.09Å; F55-S58 PolarHBondContact O-OG 3.23Å; F55-L59 HydrophobicContact CD1-CD1 3.89Å; F55-L59 HydrophobicContact CD1-CG 4.43Å; F55-L59 HydrophobicContact CE1-CD1 3.28Å; F55-L59 HydrophobicContact CE1-CG 3.98Å; F55-L59 HydrophobicContact CE2-CG 4.47Å; F55-L59 HydrophobicContact CZ-CD1 3.69Å; F55-L59 HydrophobicContact CZ-CD2 4.22Å; F55-L59 HydrophobicContact CZ-CG 3.99Å; F55-L59 PolarHBondContact O-N 3.48Å
56	K	58.9	Low	56	Low	119 Å²	119	94.2 Å²	94.2	52%	0.517	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-46	176.8	-174.5	-178.2	175.4	-173.4	0	110.8	Y52 D53 S58 L59 S60	Y52-K56 HydrophobicContact CE1-CD 4.13Å; Y52-K56 WeakPolarHBondContact O-CB 3.3Å; Y52-K56 PolarHBondContact O-N 2.89Å; D53-K56 PolarHBondContact O-N 2.79Å; K56-S58 PolarHBondContact O-N 2.86Å; K56-L59 PolarHBondContact O-N 2.87Å; K56-L59 VanDerWaalsContact O-N 3.1Å; K56-S60 PolarHBondContact O-N 3.03Å
57	D	59	Low	55.8	Low	109 Å²	109	93.2 Å²	93.2	58%	0.583	47%	0.469	S	S	*	.	H	α-helix	trans	-64.1	-24.4	174.4	-74.4	-11.4	0	0	0	112.7	D53 S60	D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 2.68Å; D57-S60 PolarHBondContact O-OG 3.06Å; D57-S60 VanDerWaalsContact O-OG 3.08Å
58	S	57.9	Low	55.5	Low	35 Å²	35	90.9 Å²	90.9	25%	0.245	46%	0.455	C	S	.	.	H	α-helix	trans	-79.8	-29.4	174.3	87.1	0	0	0	0	113.3	R29 E54 F55 K56	R29-S58 PolarHBondContact NH1-O 3.08Å; E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.28Å; E54-S58 VanDerWaalsContact O-N 3.15Å; F55-S58 WeakPolarHBondContact O-CA 3.27Å; F55-S58 WeakPolarHBondContact O-CB 3.36Å; F55-S58 PolarHBondContact O-N 3.12Å; F55-S58 VanDerWaalsContact O-N 3.09Å; F55-S58 PolarHBondContact O-OG 3.23Å; K56-S58 PolarHBondContact O-N 2.86Å
59	L	57.4	Low	55.2	Low	54 Å²	54	93.3 Å²	93.3	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-76.2	-35.9	-179.6	-80.4	176.4	0	0	0	112.5	F55 K56 K61 L62	F55-L59 HydrophobicContact CD1-CD1 3.89Å; F55-L59 HydrophobicContact CD1-CG 4.43Å; F55-L59 HydrophobicContact CE1-CD1 3.28Å; F55-L59 HydrophobicContact CE1-CG 3.98Å; F55-L59 HydrophobicContact CE2-CG 4.47Å; F55-L59 HydrophobicContact CZ-CD1 3.69Å; F55-L59 HydrophobicContact CZ-CD2 4.22Å; F55-L59 HydrophobicContact CZ-CG 3.99Å; F55-L59 PolarHBondContact O-N 3.48Å; K56-L59 PolarHBondContact O-N 2.87Å; K56-L59 VanDerWaalsContact O-N 3.1Å; L59-K61 PolarHBondContact O-N 2.67Å; L59-L62 HydrophobicContact CD2-CD1 4.19Å; L59-L62 PolarHBondContact O-N 2.91Å
60	S	55.2	Low	54.7	Low	95 Å²	95	93.8 Å²	93.8	66%	0.664	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.2	177.1	59.7	0	0	0	0	114	K56 D57 L62	K56-S60 PolarHBondContact O-N 3.03Å; D57-S60 PolarHBondContact O-OG 3.06Å; D57-S60 VanDerWaalsContact O-OG 3.08Å; S60-L62 VanDerWaalsContact C-N 3.33Å
61	K	52.9	Low	54.1	Low	172 Å²	172	93.4 Å²	93.4	75%	0.748	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.1	173.9	-61.3	-176.8	-178.1	179.1	0	114.4	L59	L59-K61 PolarHBondContact O-N 2.67Å
62	L	53.9	Low	53.5	Low	43 Å²	43	95.5 Å²	95.5	23%	0.225	48%	0.478	C	S	.	.			trans	-105.3	109.9	177.5	-70.3	169.3	0	0	0	110.4	L26 R29 L59 S60 L64	L26-L62 HydrophobicContact CD1-CD1 4.47Å; R29-L62 VanDerWaalsContact NH1-CD1 3.29Å; L59-L62 HydrophobicContact CD2-CD1 4.19Å; L59-L62 PolarHBondContact O-N 2.91Å; S60-L62 VanDerWaalsContact C-N 3.33Å; L62-L64 VanDerWaalsContact C-N 3.28Å; L62-L64 PolarHBondContact O-N 3.25Å
63	T	44.1	Very low	52.7	Low	136 Å²	136	95.4 Å²	95.4	83%	0.834	48%	0.48	S	S	*	.			trans	-76.8	80.4	164.1	51.8	0	0	0	0	108.7
64	L	49	Very low	52	Low	34 Å²	34	96 Å²	96	18%	0.178	48%	0.483	C	S	.	.			trans	-144.7	50.6	176.3	-153.9	81.3	0	0	0	111	L62 Y67 V68	L62-L64 VanDerWaalsContact C-N 3.28Å; L62-L64 PolarHBondContact O-N 3.25Å; L64-Y67 HydrophobicContact CD1-CD2 4.4Å; L64-V68 HydrophobicContact CD2-CG2 4.01Å
65	E	45.3	Very low	51.3	Low	161 Å²	161	97 Å²	97	75%	0.752	49%	0.488	S	S	*	.			trans	-71.2	-27.6	176.3	-78.9	176.5	159.5	0	0	112.6	I70	E65-I70 HydrophobicContact CG-CD1 3.87Å
66	D	45.8	Very low	50.7	Low	150 Å²	150	99.9 Å²	99.9	80%	0.802	51%	0.507	S	S	*	.	S	Bend	trans	-81.3	-21.6	-169.9	-64.9	-25.5	0	0	0	115.9
67	Y	48.7	Very low	50.3	Low	173 Å²	173	95 Å²	95	68%	0.678	49%	0.486	S	S	*	.	S	Bend	trans	-114	-8	-167.9	-70.3	-84.7	0	0	0	114.7	L64	L64-Y67 HydrophobicContact CD1-CD2 4.4Å
68	V	48.5	Very low	49.9	Very low	27 Å²	27	95.2 Å²	95.2	16%	0.164	48%	0.484	C	S	.	.	S	Bend	trans	-133.1	122.8	-178	-176.5	0	0	0	0	107.4	L26 L64 I70 I73	L26-V68 HydrophobicContact CD2-CG1 4.15Å; L26-V68 HydrophobicContact CD2-CG2 3.89Å; L64-V68 HydrophobicContact CD2-CG2 4.01Å; V68-I70 VanDerWaalsContact C-N 3.28Å; V68-I70 PolarHBondContact O-N 3.01Å; V68-I73 HydrophobicContact CG1-CD1 3.71Å
69	P	46.5	Very low	49.6	Very low	81 Å²	81	99 Å²	99	53%	0.526	50%	0.5	S	S	.	.			trans	-70	88.8	175.2	27.5	-31.4	0	0	0	109.1	D71 R72	P69-D71 PolarHBondContact O-N 3.34Å; P69-R72 PolarHBondContact O-N 2.84Å
70	I	47.2	Very low	49.1	Very low	70 Å²	70	98.6 Å²	98.6	36%	0.359	50%	0.498	S	S	.	.	H	α-helix	trans	-57.8	-30.1	-179.2	-65.6	169.2	0	0	0	110.5	E65 V68 R72 I73 N74	E65-I70 HydrophobicContact CG-CD1 3.87Å; V68-I70 VanDerWaalsContact C-N 3.28Å; V68-I70 PolarHBondContact O-N 3.01Å; I70-R72 PolarHBondContact O-N 3.48Å; I70-I73 WeakPolarHBondContact O-CB 3.43Å; I70-I73 PolarHBondContact O-N 2.86Å; I70-I73 VanDerWaalsContact O-N 3.11Å; I70-N74 PolarHBondContact O-N 3.02Å
71	D	48.7	Very low	48.7	Very low	122 Å²	122	98.6 Å²	98.6	65%	0.652	49%	0.486	S	S	*	.	H	α-helix	trans	-60.8	-40.9	178.3	-63.9	-29.1	0	0	0	113.4	P69 I73 N74 E75	P69-D71 PolarHBondContact O-N 3.34Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 3.23Å; D71-N74 WeakPolarHBondContact O-CB 3.43Å; D71-N74 PolarHBondContact O-N 3.37Å; D71-N74 VanDerWaalsContact O-N 3.16Å; D71-E75 PolarHBondContact O-N 2.94Å; D71-E75 VanDerWaalsContact O-N 3.08Å
72	R	50.4	Low	48.7	Very low	186 Å²	186	96.7 Å²	96.7	70%	0.702	48%	0.48	S	S	*	.	H	α-helix	trans	-67.8	-28.6	176.5	-75.7	-170	-174.5	177.5	3.5	112.8	P69 I70 T76	P69-R72 PolarHBondContact O-N 2.84Å; I70-R72 PolarHBondContact O-N 3.48Å; R72-T76 PolarHBondContact O-N 3.09Å; R72-T76 PolarHBondContact O-OG1 3.35Å
73	I	48	Very low	48.4	Very low	37 Å²	37	102.5 Å²	102.5	19%	0.19	50%	0.5	C	S	.	.	H	α-helix	trans	-72.4	-38.2	174.9	-61.7	175.7	0	0	0	109.4	V68 I70 D71 T76 I77	V68-I73 HydrophobicContact CG1-CD1 3.71Å; I70-I73 WeakPolarHBondContact O-CB 3.43Å; I70-I73 PolarHBondContact O-N 2.86Å; I70-I73 VanDerWaalsContact O-N 3.11Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 3.23Å; I73-T76 WeakPolarHBondContact CA-OG1 3.5Å; I73-T76 PolarHBondContact O-N 2.79Å; I73-T76 PolarHBondContact O-OG1 3.07Å; I73-T76 VanDerWaalsContact O-OG1 3.09Å; I73-I77 HydrophobicContact CG2-CD1 3.7Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CB 3.48Å; I73-I77 WeakPolarHBondContact O-CD1 3.39Å; I73-I77 WeakPolarHBondContact O-CG1 3.35Å; I73-I77 PolarHBondContact O-N 3.19Å
74	N	49.4	Very low	48.5	Very low	80 Å²	80	97 Å²	97	43%	0.428	47%	0.469	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.4	-72	-25.5	0	0	0	112.7	I70 D71 I77 Q78	I70-N74 PolarHBondContact O-N 3.02Å; D71-N74 WeakPolarHBondContact O-CB 3.43Å; D71-N74 PolarHBondContact O-N 3.37Å; D71-N74 VanDerWaalsContact O-N 3.16Å; N74-I77 PolarHBondContact O-N 3.3Å; N74-Q78 PolarHBondContact O-N 3.2Å
75	E	49.7	Very low	48.4	Very low	135 Å²	135	99.3 Å²	99.3	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-61.2	-46.5	175	-73.1	176.6	174.6	0	0	112.3	D71 I77 Q78 L79	D71-E75 PolarHBondContact O-N 2.94Å; D71-E75 VanDerWaalsContact O-N 3.08Å; E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.89Å; E75-Q78 PolarHBondContact O-N 3.19Å; E75-L79 PolarHBondContact O-N 3.08Å
76	T	49	Very low	48.7	Very low	78 Å²	78	95.7 Å²	95.7	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-32.5	176.1	30.5	0	0	0	0	112.3	R72 I73 I80	R72-T76 PolarHBondContact O-N 3.09Å; R72-T76 PolarHBondContact O-OG1 3.35Å; I73-T76 WeakPolarHBondContact CA-OG1 3.5Å; I73-T76 PolarHBondContact O-N 2.79Å; I73-T76 PolarHBondContact O-OG1 3.07Å; I73-T76 VanDerWaalsContact O-OG1 3.09Å; T76-I80 WeakPolarHBondContact O-CD1 3.27Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.29Å
77	I	48.8	Very low	48.7	Very low	16 Å²	16	92.6 Å²	92.6	8%	0.082	47%	0.471	C	S	.	.	H	α-helix	trans	-68.4	-38.5	174.7	-74.2	168.9	0	0	0	112	L33 Y52 I73 N74 E75 I80 K81	L33-I77 HydrophobicContact CD1-CD1 4.31Å; L33-I77 HydrophobicContact CD1-CG1 4.25Å; Y52-I77 HydrophobicContact CE2-CG2 3.67Å; I73-I77 HydrophobicContact CG2-CD1 3.7Å; I73-I77 HydrophobicContact CG2-CG1 4.35Å; I73-I77 WeakPolarHBondContact O-CB 3.48Å; I73-I77 WeakPolarHBondContact O-CD1 3.39Å; I73-I77 WeakPolarHBondContact O-CG1 3.35Å; I73-I77 PolarHBondContact O-N 3.19Å; N74-I77 PolarHBondContact O-N 3.3Å; E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.89Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-K81 PolarHBondContact O-N 3.44Å
78	Q	50.5	Low	48	Very low	115 Å²	115	87 Å²	87	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-42.8	177.3	-76.9	-70	11.6	0	0	111.9	N74 E75 I80 K81 E82	N74-Q78 PolarHBondContact O-N 3.2Å; E75-Q78 PolarHBondContact O-N 3.19Å; Q78-I80 PolarHBondContact O-N 2.71Å; Q78-K81 WeakPolarHBondContact O-CB 3.4Å; Q78-K81 PolarHBondContact O-N 3.44Å; Q78-E82 PolarHBondContact O-N 2.91Å
79	L	52	Low	47.1	Very low	113 Å²	113	88.7 Å²	88.7	59%	0.592	49%	0.489	S	S	*	.	H	α-helix	trans	-57.3	-37.6	173.1	-77.5	166.1	0	0	0	112.3	E75 Y83	E75-L79 PolarHBondContact O-N 3.08Å; L79-Y83 WeakPolarHBondContact O-CB 3.48Å; L79-Y83 PolarHBondContact O-N 2.92Å
80	I	47.5	Very low	46.3	Very low	47 Å²	47	90.4 Å²	90.4	24%	0.241	50%	0.503	C	S	.	.	H	α-helix	trans	-71.4	-36.4	176.7	-66	163.8	0	0	0	111.5	L33 V37 T76 I77 Q78 Y83 A84	L33-I80 HydrophobicContact CD2-CD1 3.59Å; V37-I80 HydrophobicContact CG2-CD1 3.7Å; V37-I80 HydrophobicContact CG2-CG1 4.13Å; V37-I80 HydrophobicContact CG2-CG2 4.26Å; T76-I80 WeakPolarHBondContact O-CD1 3.27Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.29Å; I77-I80 PolarHBondContact O-N 3.35Å; Q78-I80 PolarHBondContact O-N 2.71Å; I80-Y83 PolarHBondContact O-N 3.27Å; I80-A84 VanDerWaalsContact O-CB 3.3Å; I80-A84 WeakPolarHBondContact O-CB 3.28Å; I80-A84 PolarHBondContact O-N 3.28Å
81	K	45.8	Very low	45.4	Very low	95 Å²	95	90.7 Å²	90.7	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-44.8	174.4	-87.2	-172.9	174.4	-177.3	0	111.9	I77 Q78 Y83 A84 A85	I77-K81 PolarHBondContact O-N 3.44Å; Q78-K81 WeakPolarHBondContact O-CB 3.4Å; Q78-K81 PolarHBondContact O-N 3.44Å; K81-Y83 VanDerWaalsContact C-N 3.33Å; K81-A84 PolarHBondContact O-N 2.64Å; K81-A85 WeakPolarHBondContact O-CB 3.4Å; K81-A85 PolarHBondContact O-N 2.69Å
82	E	53.4	Low	44.4	Very low	132 Å²	132	94.9 Å²	94.9	62%	0.617	54%	0.535	S	S	*	.	H	α-helix	trans	-60.5	-44.7	175.3	-76.3	-178.6	162.5	0	0	111.2	Q78 A85 S86	Q78-E82 PolarHBondContact O-N 2.91Å; E82-A85 PolarHBondContact O-N 3.44Å; E82-S86 PolarHBondContact O-N 2.87Å; E82-S86 VanDerWaalsContact O-N 3.08Å
83	Y	48.7	Very low	43.4	Very low	165 Å²	165	91.9 Å²	91.9	65%	0.647	54%	0.543	S	S	*	.	H	α-helix	trans	-64.1	-44	176.7	-167	-100.3	0	0	0	112.3	L79 I80 K81 A85 S86 V87	L79-Y83 WeakPolarHBondContact O-CB 3.48Å; L79-Y83 PolarHBondContact O-N 2.92Å; I80-Y83 PolarHBondContact O-N 3.27Å; K81-Y83 VanDerWaalsContact C-N 3.33Å; Y83-A85 PolarHBondContact O-N 3.31Å; Y83-S86 PolarHBondContact O-N 3.3Å; Y83-S86 VanDerWaalsContact O-N 3.17Å; Y83-S86 PolarHBondContact O-OG 3.02Å; Y83-V87 HydrophobicContact CE1-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CG2 3.14Å; Y83-V87 PolarHBondContact O-N 3.34Å
84	A	45.7	Very low	42.4	Very low	21 Å²	21	94.2 Å²	94.2	17%	0.174	58%	0.575	C	S	.	*	H	α-helix	trans	-66.9	-34.5	178	0	0	0	0	0	113	I80 K81 S86 V87	I80-A84 VanDerWaalsContact O-CB 3.3Å; I80-A84 WeakPolarHBondContact O-CB 3.28Å; I80-A84 PolarHBondContact O-N 3.28Å; K81-A84 PolarHBondContact O-N 2.64Å; A84-S86 VanDerWaalsContact C-N 3.29Å; A84-V87 PolarHBondContact O-N 3.34Å
85	A	47.3	Very low	41.3	Very low	82 Å²	82	96.1 Å²	96.1	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-35	172.7	0	0	0	0	0	111.6	K81 E82 Y83 V87	K81-A85 WeakPolarHBondContact O-CB 3.4Å; K81-A85 PolarHBondContact O-N 2.69Å; E82-A85 PolarHBondContact O-N 3.44Å; Y83-A85 PolarHBondContact O-N 3.31Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 3.14Å
86	S	50.6	Low	40.1	Very low	84 Å²	84	93 Å²	93	59%	0.587	60%	0.599	S	S	*	*	H	α-helix	trans	-69.9	-21.8	179.7	77.5	0	0	0	0	114.6	E82 Y83 A84	E82-S86 PolarHBondContact O-N 2.87Å; E82-S86 VanDerWaalsContact O-N 3.08Å; Y83-S86 PolarHBondContact O-N 3.3Å; Y83-S86 VanDerWaalsContact O-N 3.17Å; Y83-S86 PolarHBondContact O-OG 3.02Å; A84-S86 VanDerWaalsContact C-N 3.29Å
87	V	46.7	Very low	39.1	Very low	86 Å²	86	99.1 Å²	99.1	52%	0.521	62%	0.62	S	S	.	*	H	α-helix	trans	-95.8	-9.5	-175.1	-179.9	0	0	0	0	112.9	Y83 A84 A85 G89	Y83-V87 HydrophobicContact CE1-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CG2 3.14Å; Y83-V87 PolarHBondContact O-N 3.34Å; A84-V87 PolarHBondContact O-N 3.34Å; A85-V87 VanDerWaalsContact C-N 3.3Å; A85-V87 PolarHBondContact O-N 3.14Å; V87-G89 PolarHBondContact O-N 3.19Å
88	G	33.5	Very low	38	Very low	56 Å²	56	109 Å²	109	58%	0.577	66%	0.662	S	S	*	*			trans	-71.6	9.2	-174.5	0	0	0	0	0	117.8
89	G	30.3	Very low	36.8	Very low	61 Å²	61	109 Å²	109	63%	0.629	68%	0.675	S	S	*	*	S	Bend	trans	-94	101.8	179.5	0	0	0	0	0	113.6	V87	V87-G89 PolarHBondContact O-N 3.19Å
90	S	28.5	Very low	35.4	Very low	118 Å²	118	106.9 Å²	106.9	83%	0.825	68%	0.681	S	S	*	*			trans	45.3	101.6	153.9	64.6	0	0	0	0	120.4
91	G	27.9	Very low	34.4	Very low	75 Å²	75	115 Å²	115	77%	0.773	72%	0.715	S	S	*	*				57.7	104.4	122.6	0	0	0	0	0	121.5
92	K	28	Very low	33.3	Very low	211 Å²	211	118.7 Å²	118.7	92%	0.917	73%	0.734	S	S	*	*				171.1	148.6	111.7	-91.7	177.1	-177.1	178.8	0	110.4
93	S	30.2	Very low	31.8	Very low	123 Å²	123	122.6 Å²	122.6	86%	0.86	75%	0.749	S	S	*	*			trans	-45.7	130.4	-168.1	53.1	0	0	0	0	116.1
94	G	26.1	Very low	30.6	Very low	85 Å²	85	123.2 Å²	123.2	88%	0.876	76%	0.755	S	S	*	*			trans	-79.2	127.6	-172.9	0	0	0	0	0	115.4
95	S	26.1	Very low	29.6	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	78%	0.781	S	S	*	*			trans	-136.1	130.3	150.1	98.8	0	0	0	0	107.4
96	G	25.4	Very low	28.4	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	79%	0.786	S	S	*	*			trans	88.7	81.8	164.7	0	0	0	0	0	117.2
97	F	28.3	Very low	27	Very low	207 Å²	207	132.8 Å²	132.8	91%	0.908	80%	0.796	S	S	*	*			trans	-133.9	17.8	163.7	-127.1	-90.1	0	0	0	114.9
98	F	25	Very low	25.9	Very low	222 Å²	222	134.3 Å²	134.3	97%	0.974	81%	0.808	S	S	*	*			trans	-112.7	64.5	169.7	-73.5	-75.5	0	0	0	110.9
99	S	25.6	Very low	25.4	Very low	115 Å²	115	138.8 Å²	138.8	80%	0.804	82%	0.819	S	S	*	*			trans	-149	89	164.3	63.4	0	0	0	0	109.4
100	G	23.4	Very low	24.9	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	83%	0.827	S	S	*	*			trans	-173.7	4.6	-179.1	0	0	0	0	0	118.1
101	F	24.9	Very low	24.7	Very low	217 Å²	217	145.9 Å²	145.9	95%	0.952	82%	0.822	S	S	*	*			trans	-134.1	65.1	176.4	-88.6	-87.6	0	0	0	111.7
102	E	22.8	Very low	24.4	Very low	173 Å²	173	149.3 Å²	149.3	81%	0.808	82%	0.818	S	S	*	*			trans	-134.8	85.1	157.8	-128.5	-176.4	174.6	0	0	108.3
103	K	23.5	Very low	24.1	Very low	214 Å²	214	146 Å²	146	93%	0.93	81%	0.81	S	S	*	*			trans	-98.5	96.9	162.2	-84.2	-173.6	176	-179	0	107.3
104	K	21.9	Very low	23.8	Very low	178 Å²	178	146 Å²	146	77%	0.774	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-65.7	135	162.2	-84.8	178.5	176.2	173.7	0	108.9
105	P	25.1	Very low	23.6	Very low	112 Å²	112	151 Å²	151	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.4	150.4	174.8	30.6	-32	0	0	0	110.7
106	P	23	Very low	23.3	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-76.5	143.8	-173.7	31.2	-32.9	0	0	0	111.8
107	I	20.6	Very low	23.3	Very low	156 Å²	156	151.3 Å²	151.3	80%	0.8	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-93.1	120.4	166.5	-58.9	159.3	0	0	0	106.5
108	P	24.2	Very low	22.9	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-96.3	134.9	160.5	-2.4	22.9	0	0	0	110.1
109	N	23.6	Very low	22.9	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.2	154.6	-174.3	-68.7	-26.2	0	0	0	114.7
110	E	19.2	Very low	22.8	Very low	173 Å²	173	140.1 Å²	140.1	81%	0.808	78%	0.782	S	S	*	*			trans	-43.7	139.1	149.8	-62.8	165.6	154.6	0	0	112
111	H	23.3	Very low	22.7	Very low	154 Å²	154	146.8 Å²	146.8	71%	0.713	79%	0.791	S	S	*	*				177.5	129.7	116.5	-97.9	-83.8	0	0	0	111
112	E	22.2	Very low	22.7	Very low	148 Å²	148	142.5 Å²	142.5	69%	0.692	78%	0.782	S	S	*	*			trans	71.6	111	138.1	-73.4	170.6	-159.8	0	0	121.9
113	D	21.6	Very low	22.7	Very low	142 Å²	142	138.6 Å²	138.6	76%	0.759	77%	0.774	S	S	*	*				55.5	121.2	117.8	-61.8	-23.7	0	0	0	119
114	V	24.9	Very low	22.7	Very low	121 Å²	121	134.8 Å²	134.8	73%	0.733	76%	0.764	S	S	*	*				-177.1	117.4	106.9	152.9	0	0	0	0	109.8
115	K	21.7	Very low	22.7	Very low	191 Å²	191	131.2 Å²	131.2	83%	0.83	76%	0.757	S	S	*	*			trans	49.2	117.6	140.4	-57.3	177.3	-176.4	174.9	0	119.6
116	G	20	Very low	22.7	Very low	70 Å²	70	132.4 Å²	132.4	72%	0.722	76%	0.757	S	S	*	*				49.6	142.3	117.8	0	0	0	0	0	120.1
117	P	24.2	Very low	22.7	Very low	126 Å²	126	133.3 Å²	133.3	82%	0.818	76%	0.756	S	S	*	*				-132.1	135.8	50.8	28	-9	0	0	0	114
118	S	21	Very low	23	Very low	122 Å²	122	133 Å²	133	85%	0.853	76%	0.756	S	S	*	*			trans	-74.7	116.8	151.2	47.4	0	0	0	0	109.5
119	S	25.2	Very low	23.1	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	76%	0.761	S	S	*	*			trans	-139.5	98.6	151.9	63.2	0	0	0	0	106.2
120	A	23.6	Very low	23.2	Very low	86 Å²	86	137.1 Å²	137.1	71%	0.711	77%	0.765	S	S	*	*				64.5	94.5	96.3	0	0	0	0	0	110.2
121	F	19.6	Very low	23.7	Very low	209 Å²	209	138.2 Å²	138.2	92%	0.917	77%	0.767	S	S	*	*				42.7	98.1	89.5	-94	-84.8	0	0	0	113
122	V	26.5	Very low	23.9	Very low	127 Å²	127	137 Å²	137	77%	0.77	77%	0.772	S	S	*	*			trans	-157.7	100.9	149.1	172.9	0	0	0	0	104.1
123	S	22.8	Very low	24.3	Very low	91 Å²	91	136 Å²	136	64%	0.636	78%	0.776	S	S	*	*				62.9	151	101.6	93.9	0	0	0	0	113.5
124	D	23.2	Very low	24.8	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	78%	0.782	S	S	*	*			cis	-167.6	148.5	-14.5	-121.4	-24.3	0	0	0	103.6
125	T	22.2	Very low	25.2	Very low	104 Å²	104	140.6 Å²	140.6	64%	0.638	78%	0.782	S	S	*	*			trans	26.7	136.2	144.1	57.7	0	0	0	0	122.6
126	N	23.5	Very low	25.7	Very low	136 Å²	136	140.5 Å²	140.5	73%	0.727	78%	0.781	S	S	*	*			trans	84.5	118.3	131.2	-67.5	-2.8	0	0	0	120.1
127	D	23.4	Very low	26.5	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	79%	0.787	S	S	*	*				30.6	111.6	120	-68.2	-26.4	0	0	0	116.3
128	D	28.1	Very low	27.3	Very low	150 Å²	150	145.2 Å²	145.2	80%	0.802	78%	0.782	S	S	*	*				-166.1	137.7	109.4	-104.3	-32.9	0	0	0	113.3	Q130	D128-Q130 PolarHBondContact O-N 3.28Å
129	L	25	Very low	28.3	Very low	166 Å²	166	148.7 Å²	148.7	87%	0.869	79%	0.785	S	S	*	*			trans	-59.3	120.5	168.3	-72.8	107	0	0	0	110.9
130	Q	27.2	Very low	29.8	Very low	189 Å²	189	149 Å²	149	88%	0.883	78%	0.778	S	S	*	*			trans	-131.7	128.1	157.3	-74.6	-169.6	8.3	0	0	113.7	D128	D128-Q130 PolarHBondContact O-N 3.28Å
131	K	27.9	Very low	32	Very low	196 Å²	196	147.3 Å²	147.3	85%	0.852	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-63.1	160.8	177.9	-82	173.7	178.7	173.5	0	112.8	V133	K131-V133 PolarHBondContact O-N 2.79Å
132	P	28.7	Very low	34.5	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.7	124.5	-160.1	29.9	-34.1	0	0	0	112.9
133	V	31.1	Very low	36.7	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-81.5	121.1	170	177	0	0	0	0	109.2	K131 Q135	K131-V133 PolarHBondContact O-N 2.79Å; V133-Q135 PolarHBondContact O-N 3.4Å; V133-Q135 VanDerWaalsContact O-N 3.11Å
134	K	31.1	Very low	39.3	Very low	203 Å²	203	144.2 Å²	144.2	88%	0.883	74%	0.737	S	S	*	*			trans	-60.2	104.9	172.2	-67.8	176	177	178.6	0	109.8
135	Q	33	Very low	42	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-79.5	125	175.3	-68	-175.9	8.3	0	0	110.4	V133	V133-Q135 PolarHBondContact O-N 3.4Å; V133-Q135 VanDerWaalsContact O-N 3.11Å
136	K	33.1	Very low	44.8	Very low	190 Å²	190	143.1 Å²	143.1	83%	0.826	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.8	151.2	166.9	-72.5	178	176.4	178.5	0	109.7	K138	K136-K138 PolarHBondContact O-N 3.45Å; K136-K138 VanDerWaalsContact O-N 3.15Å
137	P	37.1	Very low	47.6	Very low	128 Å²	128	143.2 Å²	143.2	83%	0.831	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-63.4	119.6	-172.9	26	-32.9	0	0	0	110.1	Q139	P137-Q139 PolarHBondContact O-N 3.03Å
138	K	40.1	Very low	50.4	Low	167 Å²	167	138.9 Å²	138.9	73%	0.726	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-61.3	125.3	174.3	-72.5	179.2	175.8	-178.5	0	108.5	K136 I140	K136-K138 PolarHBondContact O-N 3.45Å; K136-K138 VanDerWaalsContact O-N 3.15Å; K138-I140 PolarHBondContact O-N 2.83Å
139	Q	42.5	Very low	53	Low	194 Å²	194	136.6 Å²	136.6	91%	0.907	69%	0.689	S	S	*	*			trans	-60.6	108.1	165	-81.6	171.4	-30.9	0	0	107.3	P137 S141	P137-Q139 PolarHBondContact O-N 3.03Å; Q139-S141 PolarHBondContact O-N 2.79Å
140	I	56.3	Low	56	Low	110 Å²	110	134.1 Å²	134.1	56%	0.564	68%	0.676	S	S	*	*			trans	-67.3	125.3	174.7	-62.1	162.7	0	0	0	106.5	K138 E144 L145	K138-I140 PolarHBondContact O-N 2.83Å; I140-E144 HydrophobicContact CG2-CB 3.84Å; I140-L145 HydrophobicContact CB-CD1 4.21Å; I140-L145 HydrophobicContact CG2-CB 4.49Å; I140-L145 HydrophobicContact CG2-CD1 3.86Å; I140-L145 HydrophobicContact CG2-CG 3.9Å
141	S	70.1	Confident	58.8	Low	49 Å²	49	132.6 Å²	132.6	34%	0.343	67%	0.667	S	S	.	*			trans	-65.3	148.7	179.2	65.2	0	0	0	0	110.3	Q139 E143 E144 L145	Q139-S141 PolarHBondContact O-N 2.79Å; S141-E143 PolarHBondContact O-N 2.79Å; S141-E143 VanDerWaalsContact O-N 3.17Å; S141-E144 PolarHBondContact N-OE2 2.87Å; S141-E144 PolarHBondContact O-N 2.89Å; S141-E144 VanDerWaalsContact O-N 3.14Å; S141-E144 WeakPolarHBondContact OG-CB 3.48Å; S141-E144 WeakPolarHBondContact OG-CG 3.43Å; S141-E144 PolarHBondContact OG-N 3.08Å; S141-E144 PolarHBondContact OG-OE2 2.89Å; S141-L145 PolarHBondContact O-N 2.83Å; S141-L145 VanDerWaalsContact O-N 3.08Å
142	V	72.5	Confident	61.6	Low	106 Å²	106	127.6 Å²	127.6	64%	0.642	65%	0.65	S	S	*	*	H	α-helix	trans	-57	-32.3	178.7	178.6	0	0	0	0	111	L145 Q146	V142-L145 PolarHBondContact O-N 2.79Å; V142-Q146 WeakPolarHBondContact O-CG 3.26Å; V142-Q146 PolarHBondContact O-N 2.85Å
143	E	72.3	Confident	64.3	Low	149 Å²	149	127.7 Å²	127.7	70%	0.696	64%	0.639	S	S	*	*	H	α-helix	trans	-66.8	-46.2	176.9	-66.6	171.4	179.7	0	0	112.1	S141 L145 Q146 E147	S141-E143 PolarHBondContact O-N 2.79Å; S141-E143 VanDerWaalsContact O-N 3.17Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 2.86Å; E143-Q146 PolarHBondContact O-N 3.28Å; E143-E147 WeakPolarHBondContact O-CB 3.27Å; E143-E147 PolarHBondContact O-N 3.45Å
144	E	77.2	Confident	67	Low	107 Å²	107	126 Å²	126	50%	0.5	63%	0.625	S	S	.	*	H	α-helix	trans	-62.2	-35.8	174.1	-75.3	166.9	147.1	0	0	111.9	I140 S141 A148	I140-E144 HydrophobicContact CG2-CB 3.84Å; S141-E144 PolarHBondContact N-OE2 2.87Å; S141-E144 PolarHBondContact O-N 2.89Å; S141-E144 VanDerWaalsContact O-N 3.14Å; S141-E144 WeakPolarHBondContact OG-CB 3.48Å; S141-E144 WeakPolarHBondContact OG-CG 3.43Å; S141-E144 PolarHBondContact OG-N 3.08Å; S141-E144 PolarHBondContact OG-OE2 2.89Å; E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 3.39Å
145	L	79.8	Confident	69.7	Low	90 Å²	90	118.8 Å²	118.8	47%	0.471	60%	0.603	S	S	.	*	H	α-helix	trans	-68.1	-40.2	175.2	-105.4	148.9	0	0	0	112.1	I140 S141 V142 E143 L149	I140-L145 HydrophobicContact CB-CD1 4.21Å; I140-L145 HydrophobicContact CG2-CB 4.49Å; I140-L145 HydrophobicContact CG2-CD1 3.86Å; I140-L145 HydrophobicContact CG2-CG 3.9Å; S141-L145 PolarHBondContact O-N 2.83Å; S141-L145 VanDerWaalsContact O-N 3.08Å; V142-L145 PolarHBondContact O-N 2.79Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 2.86Å; L145-L149 WeakPolarHBondContact O-CB 3.35Å; L145-L149 PolarHBondContact O-N 3.2Å
146	Q	80.2	Confident	72.3	Confident	125 Å²	125	118 Å²	118	58%	0.584	60%	0.598	S	S	*	*	H	α-helix	trans	-65.8	-43.8	174.2	-78.2	177.2	-15.7	0	0	111.5	V142 E143 L149 L150	V142-Q146 WeakPolarHBondContact O-CG 3.26Å; V142-Q146 PolarHBondContact O-N 2.85Å; E143-Q146 PolarHBondContact O-N 3.28Å; Q146-L149 PolarHBondContact O-N 2.78Å; Q146-L150 WeakPolarHBondContact O-CB 3.34Å; Q146-L150 PolarHBondContact O-N 3.35Å
147	E	83.9	Confident	74.8	Confident	139 Å²	139	114.5 Å²	114.5	65%	0.65	58%	0.584	S	S	*	*	H	α-helix	trans	-65.7	-40.6	177.3	-166	178.2	-175.3	0	0	111.3	E143 L150 K151	E143-E147 WeakPolarHBondContact O-CB 3.27Å; E143-E147 PolarHBondContact O-N 3.45Å; E147-L150 PolarHBondContact O-N 3.48Å; E147-K151 WeakPolarHBondContact O-CB 3.39Å; E147-K151 PolarHBondContact O-N 2.93Å
148	A	80.4	Confident	77.1	Confident	47 Å²	47	114.6 Å²	114.6	39%	0.388	57%	0.572	S	S	.	*	H	α-helix	trans	-64.8	-39.4	174.1	0	0	0	0	0	112.5	E144 N152	E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 3.39Å; A148-N152 WeakPolarHBondContact O-CB 3.05Å; A148-N152 VanDerWaalsContact O-CG 3.27Å; A148-N152 PolarHBondContact O-N 2.77Å; A148-N152 PolarHBondContact O-ND2 3.27Å
149	L	83.9	Confident	79.5	Confident	102 Å²	102	113.2 Å²	113.2	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-49.2	174.6	-91.8	166.5	0	0	0	111.6	L145 Q146 K151 N152 E153	L145-L149 WeakPolarHBondContact O-CB 3.35Å; L145-L149 PolarHBondContact O-N 3.2Å; Q146-L149 PolarHBondContact O-N 2.78Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.39Å; L149-N152 PolarHBondContact O-N 2.91Å; L149-N152 VanDerWaalsContact O-N 3.14Å; L149-E153 PolarHBondContact O-N 2.78Å
150	L	86.7	Confident	81.6	Confident	114 Å²	114	108.4 Å²	108.4	60%	0.597	54%	0.541	S	S	*	.	H	α-helix	trans	-59.2	-42.9	177.6	-167.1	85.9	0	0	0	110.9	Q146 E147 E153 L154	Q146-L150 WeakPolarHBondContact O-CB 3.34Å; Q146-L150 PolarHBondContact O-N 3.35Å; E147-L150 PolarHBondContact O-N 3.48Å; L150-E153 PolarHBondContact O-N 2.99Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 3.08Å
151	K	87.7	Confident	82.9	Confident	158 Å²	158	108 Å²	108	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-64.5	-40.5	176.7	-173.7	177.1	-179.1	177.7	0	112	E147 L149 A155	E147-K151 WeakPolarHBondContact O-CB 3.39Å; E147-K151 PolarHBondContact O-N 2.93Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3.39Å; K151-A155 VanDerWaalsContact O-CB 3.28Å; K151-A155 WeakPolarHBondContact O-CB 3.44Å; K151-A155 PolarHBondContact O-N 2.95Å
152	N	86.1	Confident	83.7	Confident	91 Å²	91	107.7 Å²	107.7	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-45.6	175.4	-80.2	-18.7	0	0	0	111.4	A148 L149 L154 A155 F156	A148-N152 WeakPolarHBondContact O-CB 3.05Å; A148-N152 VanDerWaalsContact O-CG 3.27Å; A148-N152 PolarHBondContact O-N 2.77Å; A148-N152 PolarHBondContact O-ND2 3.27Å; L149-N152 PolarHBondContact O-N 2.91Å; L149-N152 VanDerWaalsContact O-N 3.14Å; N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 2.93Å; N152-A155 WeakPolarHBondContact O-CB 3.44Å; N152-A155 PolarHBondContact O-N 3.37Å; N152-F156 HydrophobicContact CB-CD2 4.42Å; N152-F156 HydrophobicContact CB-CE2 4.23Å; N152-F156 WeakPolarHBondContact O-CD2 3.24Å; N152-F156 WeakPolarHBondContact O-CG 3Å; N152-F156 PolarHBondContact O-N 3Å
153	E	84.8	Confident	84.5	Confident	129 Å²	129	105.7 Å²	105.7	60%	0.603	52%	0.523	S	S	*	.	H	α-helix	trans	-58.1	-45.3	175.3	-79.1	-172.9	156.6	0	0	111.5	L149 L150 A155 F156 H157	L149-E153 PolarHBondContact O-N 2.78Å; L150-E153 PolarHBondContact O-N 2.99Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.26Å; E153-F156 PolarHBondContact O-N 2.94Å; E153-H157 WeakPolarHBondContact O-CB 3.46Å; E153-H157 PolarHBondContact O-N 2.97Å
154	L	89.1	Confident	85	Confident	90 Å²	90	103.2 Å²	103.2	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-34.8	178.9	-152.5	149.5	0	0	0	111.5	L150 N152 K158	L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 3.08Å; N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 2.93Å; L154-K158 HydrophobicContact CD2-CD 3.9Å; L154-K158 VanDerWaalsContact CD2-CE 3.42Å; L154-K158 HydrophobicContact CD2-CG 4.37Å; L154-K158 WeakPolarHBondContact O-CB 3.45Å; L154-K158 WeakPolarHBondContact O-CG 3.46Å; L154-K158 PolarHBondContact O-N 2.87Å
155	A	87.1	Confident	85.3	Confident	52 Å²	52	102.5 Å²	102.5	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-41.3	172.2	0	0	0	0	0	112.2	K151 N152 E153 R159	K151-A155 VanDerWaalsContact O-CB 3.28Å; K151-A155 WeakPolarHBondContact O-CB 3.44Å; K151-A155 PolarHBondContact O-N 2.95Å; N152-A155 WeakPolarHBondContact O-CB 3.44Å; N152-A155 PolarHBondContact O-N 3.37Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.26Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.21Å; A155-R159 PolarHBondContact O-N 2.94Å
156	F	87	Confident	85.5	Confident	140 Å²	140	102.2 Å²	102.2	61%	0.614	51%	0.507	S	S	*	.	H	α-helix	trans	-64.3	-43.5	173.7	-75.6	-60.3	0	0	0	111.2	N152 E153 R159 I160	N152-F156 HydrophobicContact CB-CD2 4.42Å; N152-F156 HydrophobicContact CB-CE2 4.23Å; N152-F156 WeakPolarHBondContact O-CD2 3.24Å; N152-F156 WeakPolarHBondContact O-CG 3Å; N152-F156 PolarHBondContact O-N 3Å; E153-F156 PolarHBondContact O-N 2.94Å; F156-R159 CarbonylContact O-C 3.53Å; F156-R159 PolarHBondContact O-N 3.04Å; F156-R159 VanDerWaalsContact O-N 3.16Å; F156-I160 WeakPolarHBondContact O-CB 3.16Å; F156-I160 VanDerWaalsContact O-CG1 3.27Å; F156-I160 WeakPolarHBondContact O-CG1 3.39Å; F156-I160 PolarHBondContact O-N 3.37Å
157	H	85.3	Confident	85.6	Confident	117 Å²	117	100.2 Å²	100.2	54%	0.542	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-46.7	177.7	-157.7	-90.7	0	0	0	111.5	E153 R159 I160 E161	E153-H157 WeakPolarHBondContact O-CB 3.46Å; E153-H157 PolarHBondContact O-N 2.97Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.05Å; H157-I160 PolarHBondContact O-N 3.3Å; H157-E161 IonicContact CE1-OE1 3.41Å; H157-E161 PolarHBondContact CE1-OE1 3.29Å; H157-E161 IonicContact ND1-OE1 2.62Å; H157-E161 PolarHBondContact ND1-OE1 2.83Å; H157-E161 VanDerWaalsContact ND1-OE1 3.15Å; H157-E161 PolarHBondContact O-N 2.94Å
158	K	87.2	Confident	85.2	Confident	131 Å²	131	101.5 Å²	101.5	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-38.9	173.1	-77.2	177.9	174.9	173.7	0	112.5	L154 A162	L154-K158 HydrophobicContact CD2-CD 3.9Å; L154-K158 VanDerWaalsContact CD2-CE 3.42Å; L154-K158 HydrophobicContact CD2-CG 4.37Å; L154-K158 WeakPolarHBondContact O-CB 3.45Å; L154-K158 WeakPolarHBondContact O-CG 3.46Å; L154-K158 PolarHBondContact O-N 2.87Å; K158-A162 VanDerWaalsContact O-CB 3.29Å; K158-A162 WeakPolarHBondContact O-CB 3.42Å; K158-A162 PolarHBondContact O-N 2.8Å
159	R	89.7	Confident	85	Confident	138 Å²	138	103 Å²	103	52%	0.521	50%	0.498	S	S	.	.	H	α-helix	trans	-69.3	-37.9	177.8	-173.4	56.7	177.2	154.6	3.8	111.5	A155 F156 H157 A162 L163	A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.21Å; A155-R159 PolarHBondContact O-N 2.94Å; F156-R159 CarbonylContact O-C 3.53Å; F156-R159 PolarHBondContact O-N 3.04Å; F156-R159 VanDerWaalsContact O-N 3.16Å; H157-R159 VanDerWaalsContact C-N 3.31Å; H157-R159 PolarHBondContact O-N 3.05Å; R159-A162 PolarHBondContact O-N 3.44Å; R159-L163 HydrophobicContact CG-CD1 4.04Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CB 3.27Å; R159-L163 WeakPolarHBondContact O-CB 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.42Å
160	I	86	Confident	84.7	Confident	93 Å²	93	101.9 Å²	101.9	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-47.7	173.8	-70.7	167.3	0	0	0	109.9	F156 H157 A162 L163 L164	F156-I160 WeakPolarHBondContact O-CB 3.16Å; F156-I160 VanDerWaalsContact O-CG1 3.27Å; F156-I160 WeakPolarHBondContact O-CG1 3.39Å; F156-I160 PolarHBondContact O-N 3.37Å; H157-I160 PolarHBondContact O-N 3.3Å; I160-A162 PolarHBondContact O-N 2.97Å; I160-L163 CarbonylContact O-C 3.4Å; I160-L163 PolarHBondContact O-N 3.31Å; I160-L164 HydrophobicContact CG2-CD1 3.8Å; I160-L164 HydrophobicContact CG2-CG 4.26Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.26Å
161	E	84.2	Confident	84	Confident	101 Å²	101	104 Å²	104	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-59.3	-45.2	175.6	-78.7	175.7	-171.1	0	0	112.2	H157 L164 Q165	H157-E161 IonicContact CE1-OE1 3.41Å; H157-E161 PolarHBondContact CE1-OE1 3.29Å; H157-E161 IonicContact ND1-OE1 2.62Å; H157-E161 PolarHBondContact ND1-OE1 2.83Å; H157-E161 VanDerWaalsContact ND1-OE1 3.15Å; H157-E161 PolarHBondContact O-N 2.94Å; E161-L164 PolarHBondContact O-N 3.11Å; E161-Q165 WeakPolarHBondContact O-CB 3.5Å; E161-Q165 PolarHBondContact O-N 3.01Å
162	A	86.6	Confident	83	Confident	42 Å²	42	99.7 Å²	99.7	35%	0.347	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-43.5	175.7	0	0	0	0	0	111.7	K158 R159 I160 Q165 E166	K158-A162 VanDerWaalsContact O-CB 3.29Å; K158-A162 WeakPolarHBondContact O-CB 3.42Å; K158-A162 PolarHBondContact O-N 2.8Å; R159-A162 PolarHBondContact O-N 3.44Å; I160-A162 PolarHBondContact O-N 2.97Å; A162-Q165 PolarHBondContact O-N 3.01Å; A162-E166 VanDerWaalsContact O-CB 3.26Å; A162-E166 WeakPolarHBondContact O-CB 3.36Å; A162-E166 PolarHBondContact O-N 3.34Å
163	L	88.8	Confident	82.1	Confident	65 Å²	65	99.2 Å²	99.2	34%	0.34	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-32.1	176.4	-76.5	170.4	0	0	0	112.7	R159 I160 N167	R159-L163 HydrophobicContact CG-CD1 4.04Å; R159-L163 HydrophobicContact CG-CG 4.42Å; R159-L163 VanDerWaalsContact O-CB 3.27Å; R159-L163 WeakPolarHBondContact O-CB 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.42Å; I160-L163 CarbonylContact O-C 3.4Å; I160-L163 PolarHBondContact O-N 3.31Å; L163-N167 VanDerWaalsContact O-CB 3.24Å; L163-N167 WeakPolarHBondContact O-CB 3.5Å; L163-N167 PolarHBondContact O-N 3.3Å; L163-N167 PolarHBondContact O-ND2 3.32Å
164	L	83.4	Confident	81.3	Confident	97 Å²	97	98.7 Å²	98.7	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-71.1	-38.4	174.1	-75.3	169.5	0	0	0	110.9	I160 E161 R168	I160-L164 HydrophobicContact CG2-CD1 3.8Å; I160-L164 HydrophobicContact CG2-CG 4.26Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.26Å; E161-L164 PolarHBondContact O-N 3.11Å; L164-R168 WeakPolarHBondContact O-CG 3.45Å; L164-R168 PolarHBondContact O-N 3.13Å; L164-R168 PolarHBondContact O-NE 3.21Å
165	Q	84.4	Confident	80.1	Confident	91 Å²	91	99.8 Å²	99.8	43%	0.425	48%	0.483	S	S	.	.	H	α-helix	trans	-67.6	-46.5	172.7	-172.8	173.4	-14.5	0	0	111.6	E161 A162 N167 R168 E169	E161-Q165 WeakPolarHBondContact O-CB 3.5Å; E161-Q165 PolarHBondContact O-N 3.01Å; A162-Q165 PolarHBondContact O-N 3.01Å; Q165-N167 VanDerWaalsContact C-N 3.31Å; Q165-N167 PolarHBondContact O-N 2.69Å; Q165-R168 WeakPolarHBondContact O-CA 3.32Å; Q165-R168 WeakPolarHBondContact O-CB 3.46Å; Q165-R168 PolarHBondContact O-N 2.98Å; Q165-E169 PolarHBondContact NE2-OE1 3.37Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.14Å; Q165-E169 WeakPolarHBondContact O-CG 3.34Å; Q165-E169 PolarHBondContact O-N 3.24Å
166	E	83.4	Confident	79	Confident	85 Å²	85	102.1 Å²	102.1	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-41.6	174	-172.2	-179.4	175.4	0	0	110.8	A162 R168 E169 L170	A162-E166 VanDerWaalsContact O-CB 3.26Å; A162-E166 WeakPolarHBondContact O-CB 3.36Å; A162-E166 PolarHBondContact O-N 3.34Å; E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 3.29Å; E166-E169 PolarHBondContact O-N 3.29Å; E166-L170 HydrophobicContact CG-CD1 3.91Å; E166-L170 HydrophobicContact CG-CG 4.26Å; E166-L170 WeakPolarHBondContact O-CB 3.22Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.37Å; E166-L170 PolarHBondContact O-N 2.74Å
167	N	82.1	Confident	77.8	Confident	82 Å²	82	101.6 Å²	101.6	44%	0.439	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-36.7	173.1	-92.6	-71.2	0	0	0	112.8	L163 Q165 R171	L163-N167 VanDerWaalsContact O-CB 3.24Å; L163-N167 WeakPolarHBondContact O-CB 3.5Å; L163-N167 PolarHBondContact O-N 3.3Å; L163-N167 PolarHBondContact O-ND2 3.32Å; Q165-N167 VanDerWaalsContact C-N 3.31Å; Q165-N167 PolarHBondContact O-N 2.69Å; N167-R171 VanDerWaalsContact O-CB 3.23Å; N167-R171 WeakPolarHBondContact O-CB 3.45Å; N167-R171 WeakPolarHBondContact O-CD 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.45Å; N167-R171 PolarHBondContact O-N 3.35Å
168	R	75.9	Confident	76.4	Confident	166 Å²	166	97.6 Å²	97.6	63%	0.626	47%	0.471	S	S	*	.	H	α-helix	trans	-66	-44.4	174.8	-78	-178.2	-72.3	-163	0.9	111.3	L164 Q165 E166 R171 S172	L164-R168 WeakPolarHBondContact O-CG 3.45Å; L164-R168 PolarHBondContact O-N 3.13Å; L164-R168 PolarHBondContact O-NE 3.21Å; Q165-R168 WeakPolarHBondContact O-CA 3.32Å; Q165-R168 WeakPolarHBondContact O-CB 3.46Å; Q165-R168 PolarHBondContact O-N 2.98Å; E166-R168 VanDerWaalsContact C-N 3.34Å; E166-R168 PolarHBondContact O-N 3.29Å; R168-R171 PolarHBondContact O-N 3.13Å; R168-S172 PolarHBondContact O-N 3.4Å
169	E	76	Confident	74.6	Confident	79 Å²	79	95.7 Å²	95.7	37%	0.369	46%	0.464	S	S	.	.	H	α-helix	trans	-66.7	-47.4	177.9	-70.2	173	-166.9	0	0	111.4	Q165 E166 R171 S172 E173	Q165-E169 PolarHBondContact NE2-OE1 3.37Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.14Å; Q165-E169 WeakPolarHBondContact O-CG 3.34Å; Q165-E169 PolarHBondContact O-N 3.24Å; E166-E169 PolarHBondContact O-N 3.29Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.67Å; E169-S172 CarbonylContact O-C 3.6Å; E169-S172 WeakPolarHBondContact O-CA 3.48Å; E169-S172 WeakPolarHBondContact O-CB 3.29Å; E169-S172 PolarHBondContact O-N 3.4Å; E169-S172 VanDerWaalsContact O-N 3.08Å; E169-E173 WeakPolarHBondContact O-CB 3.22Å; E169-E173 PolarHBondContact O-N 3.47Å
170	L	76.4	Confident	72.8	Confident	78 Å²	78	98.1 Å²	98.1	41%	0.408	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-36.4	174	-74.6	172.8	0	0	0	111.8	E166 E173 L174	E166-L170 HydrophobicContact CG-CD1 3.91Å; E166-L170 HydrophobicContact CG-CG 4.26Å; E166-L170 WeakPolarHBondContact O-CB 3.22Å; E166-L170 VanDerWaalsContact O-CG 3.23Å; E166-L170 WeakPolarHBondContact O-CG 3.37Å; E166-L170 PolarHBondContact O-N 2.74Å; L170-E173 PolarHBondContact O-N 3.25Å; L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 PolarHBondContact O-N 3.11Å
171	R	72.1	Confident	70.9	Confident	159 Å²	159	97.7 Å²	97.7	60%	0.6	48%	0.484	S	S	*	.	H	α-helix	trans	-64.5	-45	171.9	-79.7	171.6	-176.7	-164.4	1	111.3	N167 R168 E169 E173 L174 L175	N167-R171 VanDerWaalsContact O-CB 3.23Å; N167-R171 WeakPolarHBondContact O-CB 3.45Å; N167-R171 WeakPolarHBondContact O-CD 3.28Å; N167-R171 WeakPolarHBondContact O-CG 3.45Å; N167-R171 PolarHBondContact O-N 3.35Å; R168-R171 PolarHBondContact O-N 3.13Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.67Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.49Å; R171-L174 PolarHBondContact O-N 2.77Å; R171-L175 WeakPolarHBondContact O-CB 3.28Å; R171-L175 VanDerWaalsContact O-CG 3.23Å; R171-L175 WeakPolarHBondContact O-CG 3.42Å; R171-L175 PolarHBondContact O-N 3.28Å
172	S	66.9	Low	68.9	Low	68 Å²	68	97.1 Å²	97.1	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-59.7	-42.2	174.4	-171.8	0	0	0	0	111.5	R168 E169 L175 L176	R168-S172 PolarHBondContact O-N 3.4Å; E169-S172 CarbonylContact O-C 3.6Å; E169-S172 WeakPolarHBondContact O-CA 3.48Å; E169-S172 WeakPolarHBondContact O-CB 3.29Å; E169-S172 PolarHBondContact O-N 3.4Å; E169-S172 VanDerWaalsContact O-N 3.08Å; S172-L175 PolarHBondContact O-N 3.36Å; S172-L176 PolarHBondContact O-N 2.93Å; S172-L176 VanDerWaalsContact O-N 3.07Å
173	E	68.4	Low	66.8	Low	80 Å²	80	103.9 Å²	103.9	37%	0.374	51%	0.507	S	S	.	.	H	α-helix	trans	-71.6	-38.7	178.5	-160.4	-167.1	158	0	0	111.8	E169 L170 R171 L175 L176 K177	E169-E173 WeakPolarHBondContact O-CB 3.22Å; E169-E173 PolarHBondContact O-N 3.47Å; L170-E173 PolarHBondContact O-N 3.25Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.49Å; E173-L175 VanDerWaalsContact C-N 3.32Å; E173-L176 CarbonylContact O-C 3.52Å; E173-L176 PolarHBondContact O-N 2.75Å; E173-K177 HydrophobicContact CG-CD 4.38Å; E173-K177 WeakPolarHBondContact O-CB 3.43Å; E173-K177 PolarHBondContact O-N 3.08Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 3.14Å; E173-K177 PolarHBondContact OE1-NZ 2.9Å
174	L	68.1	Low	64.3	Low	118 Å²	118	110.6 Å²	110.6	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-65	-36.3	172.9	-112.8	157.5	0	0	0	111.3	L170 R171 K177 S178	L170-L174 VanDerWaalsContact O-CB 3.25Å; L170-L174 WeakPolarHBondContact O-CB 3.43Å; L170-L174 PolarHBondContact O-N 3.11Å; R171-L174 PolarHBondContact O-N 2.77Å; L174-K177 PolarHBondContact O-N 2.89Å; L174-S178 WeakPolarHBondContact O-CA 3.3Å; L174-S178 WeakPolarHBondContact O-CB 3.49Å; L174-S178 PolarHBondContact O-N 3.01Å; L174-S178 PolarHBondContact O-OG 2.93Å
175	L	63.1	Low	62.1	Low	114 Å²	114	107.6 Å²	107.6	60%	0.597	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-48	173	-74.3	168.4	0	0	0	110.2	R171 S172 E173 S178 Q179	R171-L175 WeakPolarHBondContact O-CB 3.28Å; R171-L175 VanDerWaalsContact O-CG 3.23Å; R171-L175 WeakPolarHBondContact O-CG 3.42Å; R171-L175 PolarHBondContact O-N 3.28Å; S172-L175 PolarHBondContact O-N 3.36Å; E173-L175 VanDerWaalsContact C-N 3.32Å; L175-S178 PolarHBondContact O-OG 2.88Å; L175-S178 VanDerWaalsContact O-OG 3.1Å; L175-Q179 WeakPolarHBondContact O-CG 3.25Å; L175-Q179 PolarHBondContact O-N 3.16Å
176	L	63.6	Low	60.1	Low	100 Å²	100	113.9 Å²	113.9	52%	0.524	55%	0.547	S	S	.	.	H	α-helix	trans	-61.2	-44.6	174.1	-92	151.2	0	0	0	113.4	S172 E173 Q179	S172-L176 PolarHBondContact O-N 2.93Å; S172-L176 VanDerWaalsContact O-N 3.07Å; E173-L176 CarbonylContact O-C 3.52Å; E173-L176 PolarHBondContact O-N 2.75Å; L176-Q179 WeakPolarHBondContact O-CB 2.91Å; L176-Q179 PolarHBondContact O-N 3.48Å
177	K	62.1	Low	58.1	Low	129 Å²	129	116.8 Å²	116.8	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-73.9	-38.9	-179.7	-84.5	178.2	171	163.8	0	112.5	E173 L174 Q179 K180 S181	E173-K177 HydrophobicContact CG-CD 4.38Å; E173-K177 WeakPolarHBondContact O-CB 3.43Å; E173-K177 PolarHBondContact O-N 3.08Å; E173-K177 WeakPolarHBondContact OE1-CE 3.36Å; E173-K177 IonicContact OE1-NZ 3.14Å; E173-K177 PolarHBondContact OE1-NZ 2.9Å; L174-K177 PolarHBondContact O-N 2.89Å; K177-Q179 PolarHBondContact O-N 2.81Å; K177-K180 PolarHBondContact O-N 3.36Å; K177-K180 VanDerWaalsContact O-N 3.1Å; K177-S181 PolarHBondContact O-N 2.86Å
178	S	56.2	Low	56.8	Low	34 Å²	34	120.6 Å²	120.6	24%	0.238	58%	0.584	C	S	.	*	H	α-helix	trans	-60.8	-33.3	175.2	80.2	0	0	0	0	110.2	L174 L175 K180 S181 L182	L174-S178 WeakPolarHBondContact O-CA 3.3Å; L174-S178 WeakPolarHBondContact O-CB 3.49Å; L174-S178 PolarHBondContact O-N 3.01Å; L174-S178 PolarHBondContact O-OG 2.93Å; L175-S178 PolarHBondContact O-OG 2.88Å; L175-S178 VanDerWaalsContact O-OG 3.1Å; S178-K180 PolarHBondContact O-N 3.29Å; S178-S181 CarbonylContact O-C 3.6Å; S178-S181 WeakPolarHBondContact O-CA 3.47Å; S178-S181 PolarHBondContact O-N 3.24Å; S178-S181 PolarHBondContact O-OG 2.93Å; S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.48Å; S178-L182 WeakPolarHBondContact O-CD1 3.39Å; S178-L182 VanDerWaalsContact O-CG 3.3Å; S178-L182 WeakPolarHBondContact O-CG 3.37Å; S178-L182 PolarHBondContact O-N 2.89Å; S178-L182 WeakPolarHBondContact OG-CD1 3.24Å
179	Q	48.9	Very low	56.4	Low	90 Å²	90	117.3 Å²	117.3	42%	0.421	57%	0.574	S	S	.	*	H	α-helix	trans	-63.2	-36	174.5	-78.2	-180	5	0	0	113.7	L175 L176 K177 S181 L182	L175-Q179 WeakPolarHBondContact O-CG 3.25Å; L175-Q179 PolarHBondContact O-N 3.16Å; L176-Q179 WeakPolarHBondContact O-CB 2.91Å; L176-Q179 PolarHBondContact O-N 3.48Å; K177-Q179 PolarHBondContact O-N 2.81Å; Q179-S181 PolarHBondContact O-N 2.8Å; Q179-L182 PolarHBondContact O-N 3.21Å
180	K	51.5	Low	56.1	Low	189 Å²	189	114.7 Å²	114.7	82%	0.822	57%	0.565	S	S	*	*	H	α-helix	trans	-62.2	-25.8	171.2	-73.9	-174.6	179.7	173	0	112.1	K177 S178	K177-K180 PolarHBondContact O-N 3.36Å; K177-K180 VanDerWaalsContact O-N 3.1Å; S178-K180 PolarHBondContact O-N 3.29Å
181	S	46.5	Very low	55.9	Low	85 Å²	85	111.6 Å²	111.6	59%	0.594	55%	0.548	S	S	*	.	H	α-helix	trans	-93.3	-23.6	175.6	73.5	0	0	0	0	114.9	K177 S178 Q179	K177-S181 PolarHBondContact O-N 2.86Å; S178-S181 CarbonylContact O-C 3.6Å; S178-S181 WeakPolarHBondContact O-CA 3.47Å; S178-S181 PolarHBondContact O-N 3.24Å; S178-S181 PolarHBondContact O-OG 2.93Å; Q179-S181 PolarHBondContact O-N 2.8Å
182	L	42.5	Very low	55.7	Low	88 Å²	88	104.1 Å²	104.1	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-90.8	1	-170	-80.9	159	0	0	0	114.9	S178 Q179 K184 G185	S178-L182 VanDerWaalsContact O-CB 3.29Å; S178-L182 WeakPolarHBondContact O-CB 3.48Å; S178-L182 WeakPolarHBondContact O-CD1 3.39Å; S178-L182 VanDerWaalsContact O-CG 3.3Å; S178-L182 WeakPolarHBondContact O-CG 3.37Å; S178-L182 PolarHBondContact O-N 2.89Å; S178-L182 WeakPolarHBondContact OG-CD1 3.24Å; Q179-L182 PolarHBondContact O-N 3.21Å; L182-K184 PolarHBondContact O-N 3.32Å; L182-G185 PolarHBondContact O-N 3.22Å
183	Q	41.9	Very low	55.9	Low	184 Å²	184	102.9 Å²	102.9	86%	0.86	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-7.3	165.1	-75.8	-167.8	-9.3	0	0	113.4
184	K	37.5	Very low	56	Low	206 Å²	206	100.3 Å²	100.3	90%	0.896	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	14.7	179	-79.8	-175.3	174.9	179.5	0	116.7	L182	L182-K184 PolarHBondContact O-N 3.32Å
185	G	35.8	Very low	56.2	Low	35 Å²	35	94.8 Å²	94.8	36%	0.361	47%	0.467	S	S	.	.			trans	-164.8	73.6	174.3	0	0	0	0	0	113.7	L182 I187	L182-G185 PolarHBondContact O-N 3.22Å; G185-I187 PolarHBondContact O-N 3.47Å
186	R	42.4	Very low	56.5	Low	223 Å²	223	90.3 Å²	90.3	84%	0.842	45%	0.446	S	S	*	.			trans	-66.2	85.2	165.6	-81.1	-178.7	173.5	159.8	-2.9	108.7	N188	R186-N188 PolarHBondContact O-N 3.4Å
187	I	42.4	Very low	56.8	Low	146 Å²	146	88.4 Å²	88.4	75%	0.749	43%	0.434	S	S	*	.			trans	-64.2	126.1	162.5	-61.5	167.3	0	0	0	105.4	G185 K189	G185-I187 PolarHBondContact O-N 3.47Å; I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 3.44Å
188	N	55.1	Low	57.3	Low	161 Å²	161	82.5 Å²	82.5	86%	0.861	41%	0.409	S	S	*	.			trans	-58.4	93	176.9	-68.3	-26.5	0	0	0	109	R186	R186-N188 PolarHBondContact O-N 3.4Å
189	K	66.5	Low	57.8	Low	97 Å²	97	81.9 Å²	81.9	42%	0.422	40%	0.403	S	S	.	.			trans	-61.7	141.2	175.1	-64.6	-174.8	-176	-166.7	0	108.4	I187 M194 E197	I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 3.44Å; K189-M194 HydrophobicContact CB-CG 3.69Å; K189-M194 HydrophobicContact CB-SD 4.34Å; K189-M194 HydrophobicContact CD-CG 4.36Å; K189-M194 WeakPolarHBondContact O-CE 3.39Å; K189-E197 WeakPolarHBondContact CD-OE1 3.48Å; K189-E197 WeakPolarHBondContact CE-OE1 3.23Å; K189-E197 IonicContact NZ-OE1 2.79Å; K189-E197 PolarHBondContact NZ-OE1 2.97Å; K189-E197 IonicContact NZ-OE2 3.16Å; K189-E197 PolarHBondContact NZ-OE2 3.37Å
190	S	70.6	Confident	58.7	Low	25 Å²	25	79.9 Å²	79.9	18%	0.175	40%	0.395	C	S	.	.			trans	-63	148.5	172.9	-176.8	0	0	0	0	109.5	I192 D193 M194	S190-I192 PolarHBondContact O-N 2.93Å; S190-I192 VanDerWaalsContact O-N 3.1Å; S190-D193 WeakPolarHBondContact CB-OD2 3.45Å; S190-D193 WeakPolarHBondContact O-CB 3.29Å; S190-D193 PolarHBondContact O-N 3.48Å; S190-M194 PolarHBondContact O-N 3.33Å
191	L	71.7	Confident	59.5	Low	12 Å²	12	73 Å²	73	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-52.3	-35.3	175.8	-85.2	169.7	0	0	0	112.6	M194 Y195 W480 F909 A912 L913 S916	L191-M194 HydrophobicContact CD2-CE 3.78Å; L191-M194 HydrophobicContact CG-CE 4.17Å; L191-M194 PolarHBondContact O-N 3.43Å; L191-Y195 WeakPolarHBondContact O-CB 3.4Å; L191-Y195 PolarHBondContact O-N 3.1Å; L191-W480 HydrophobicContact CB-CH2 4.38Å; L191-F909 HydrophobicContact CD2-CD2 4.29Å; L191-F909 HydrophobicContact CD2-CE2 4.12Å; L191-F909 VanDerWaalsContact O-CE2 3.24Å; L191-F909 WeakPolarHBondContact O-CE2 3.44Å; L191-A912 HydrophobicContact CD2-CB 3.53Å; L191-L913 HydrophobicContact CD1-CD2 4.35Å; L191-L913 HydrophobicContact CD2-CD2 4.02Å; L191-L913 HydrophobicContact CD2-CG 4.15Å; L191-S916 VanDerWaalsContact CD1-CB 3.42Å; L191-S916 VanDerWaalsContact CD1-OG 3.22Å; L191-S916 WeakPolarHBondContact CD1-OG 3.03Å
192	I	67.8	Low	60.5	Low	2 Å²	2	69.1 Å²	69.1	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-77.9	-33	178.9	-63.4	158.3	0	0	0	112.3	S190 M194 Y195 S196 T257 L258 S259 R320 W480	S190-I192 PolarHBondContact O-N 2.93Å; S190-I192 VanDerWaalsContact O-N 3.1Å; I192-M194 VanDerWaalsContact C-N 3.28Å; I192-Y195 PolarHBondContact O-N 3.26Å; I192-S196 VanDerWaalsContact O-CB 3.24Å; I192-S196 WeakPolarHBondContact O-CB 3.25Å; I192-S196 PolarHBondContact O-N 2.83Å; I192-S196 PolarHBondContact O-OG 3.33Å; I192-T257 HydrophobicContact CG2-CG2 3.36Å; I192-L258 WeakPolarHBondContact CD1-O 3.44Å; I192-S259 VanDerWaalsContact CD1-CA 3.47Å; I192-R320 VanDerWaalsContact CD1-CA 3.42Å; I192-R320 HydrophobicContact CD1-CB 3.2Å; I192-R320 HydrophobicContact CD1-CG 3.48Å; I192-R320 VanDerWaalsContact CD1-CG 3.48Å; I192-R320 HydrophobicContact CG1-CB 3.86Å; I192-R320 HydrophobicContact CG1-CG 4.33Å; I192-W480 HydrophobicContact CG1-CH2 4.15Å; I192-W480 HydrophobicContact CG1-CZ2 3.83Å
193	D	71.6	Confident	61.3	Low	42 Å²	42	66.6 Å²	66.6	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-42.3	173.3	-65	-35.3	0	0	0	108.2	S190 S196 E197 K314	S190-D193 WeakPolarHBondContact CB-OD2 3.45Å; S190-D193 WeakPolarHBondContact O-CB 3.29Å; S190-D193 PolarHBondContact O-N 3.48Å; D193-S196 PolarHBondContact O-N 3.46Å; D193-E197 WeakPolarHBondContact O-CB 3.3Å; D193-E197 WeakPolarHBondContact O-CG 3.24Å; D193-E197 PolarHBondContact O-N 2.95Å; D193-K314 VanDerWaalsContact CG-NZ 3.3Å; D193-K314 IonicContact OD1-NZ 2.74Å; D193-K314 PolarHBondContact OD1-NZ 3.29Å; D193-K314 IonicContact OD2-NZ 2.8Å; D193-K314 PolarHBondContact OD2-NZ 3.44Å
194	M	71.1	Confident	62.3	Low	27 Å²	27	64.3 Å²	64.3	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-44.1	172.1	-68.2	-172.4	-73.5	0	0	112.7	K189 S190 L191 I192 S196 E197 V198 F909 A912	K189-M194 HydrophobicContact CB-CG 3.69Å; K189-M194 HydrophobicContact CB-SD 4.34Å; K189-M194 HydrophobicContact CD-CG 4.36Å; K189-M194 WeakPolarHBondContact O-CE 3.39Å; S190-M194 PolarHBondContact O-N 3.33Å; L191-M194 HydrophobicContact CD2-CE 3.78Å; L191-M194 HydrophobicContact CG-CE 4.17Å; L191-M194 PolarHBondContact O-N 3.43Å; I192-M194 VanDerWaalsContact C-N 3.28Å; M194-S196 VanDerWaalsContact C-N 3.34Å; M194-S196 PolarHBondContact O-N 2.86Å; M194-E197 PolarHBondContact O-N 2.88Å; M194-V198 WeakPolarHBondContact O-CG2 3.29Å; M194-V198 PolarHBondContact O-N 3.2Å; M194-F909 HydrophobicContact CB-CD2 3.82Å; M194-A912 HydrophobicContact CE-CB 3.45Å; M194-A912 VanDerWaalsContact CE-CB 3.45Å; M194-A912 HydrophobicContact SD-CB 4.21Å
195	Y	71.7	Confident	63.2	Low	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175	-178.7	-116.7	0	0	0	110.6	L191 I192 E197 V198 L199 L215 P216 V322 F479 V483 V487 F909	L191-Y195 WeakPolarHBondContact O-CB 3.4Å; L191-Y195 PolarHBondContact O-N 3.1Å; I192-Y195 PolarHBondContact O-N 3.26Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 3.18Å; Y195-V198 CarbonylContact O-C 3.43Å; Y195-V198 WeakPolarHBondContact O-CB 3.25Å; Y195-V198 PolarHBondContact O-N 3.07Å; Y195-L199 HydrophobicContact CD1-CD1 4Å; Y195-L199 HydrophobicContact CD1-CD2 4.37Å; Y195-L199 HydrophobicContact CD1-CG 4.08Å; Y195-L199 HydrophobicContact CD2-CD2 4.47Å; Y195-L199 HydrophobicContact CE1-CD1 3.72Å; Y195-L199 HydrophobicContact CE1-CD2 3.82Å; Y195-L199 HydrophobicContact CE1-CG 3.93Å; Y195-L199 HydrophobicContact CE2-CD2 3.92Å; Y195-L199 HydrophobicContact CG-CG 4.46Å; Y195-L199 VanDerWaalsContact O-CG 3.26Å; Y195-L199 WeakPolarHBondContact O-CG 3.24Å; Y195-L199 PolarHBondContact O-N 2.91Å; Y195-L215 HydrophobicContact CE2-CD2 4.1Å; Y195-P216 WeakPolarHBondContact OH-CD 3.31Å; Y195-P216 PolarHBondContact OH-O 2.92Å; Y195-V322 HydrophobicContact CE1-CG2 4.32Å; Y195-F479 HydrophobicContact CE1-CZ 4.05Å; Y195-V483 HydrophobicContact CD2-CG1 4Å; Y195-V483 HydrophobicContact CE2-CG1 3.7Å; Y195-V483 HydrophobicContact CE2-CG2 4.22Å; Y195-V487 HydrophobicContact CE2-CG2 4.25Å; Y195-F909 AromaticContact CD2-CE1 3.9Å; Y195-F909 HydrophobicContact CD2-CE1 3.9Å; Y195-F909 HydrophobicContact CD2-CE2 4.33Å; Y195-F909 AromaticContact CD2-CZ 3.56Å; Y195-F909 HydrophobicContact CD2-CZ 3.56Å; Y195-F909 HydrophobicContact CG-CE2 4.43Å; Y195-F909 HydrophobicContact CG-CZ 4.01Å
196	S	68.1	Low	64.2	Low	21 Å²	21	58.5 Å²	58.5	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-36.2	179.8	-56.9	0	0	0	0	112.1	I192 D193 M194 L199 D200	I192-S196 VanDerWaalsContact O-CB 3.24Å; I192-S196 WeakPolarHBondContact O-CB 3.25Å; I192-S196 PolarHBondContact O-N 2.83Å; I192-S196 PolarHBondContact O-OG 3.33Å; D193-S196 PolarHBondContact O-N 3.46Å; M194-S196 VanDerWaalsContact C-N 3.34Å; M194-S196 PolarHBondContact O-N 2.86Å; S196-L199 WeakPolarHBondContact O-CB 3.43Å; S196-L199 PolarHBondContact O-N 3.04Å; S196-D200 VanDerWaalsContact O-CB 3.31Å; S196-D200 WeakPolarHBondContact O-CB 3.42Å; S196-D200 PolarHBondContact O-N 3.45Å
197	E	71.6	Confident	64.5	Low	59 Å²	59	53.6 Å²	53.6	28%	0.276	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-46.8	170.1	-77.6	176.5	-171.9	0	0	111.1	K189 D193 M194 Y195 L199 D200 E201	K189-E197 WeakPolarHBondContact CD-OE1 3.48Å; K189-E197 WeakPolarHBondContact CE-OE1 3.23Å; K189-E197 IonicContact NZ-OE1 2.79Å; K189-E197 PolarHBondContact NZ-OE1 2.97Å; K189-E197 IonicContact NZ-OE2 3.16Å; K189-E197 PolarHBondContact NZ-OE2 3.37Å; D193-E197 WeakPolarHBondContact O-CB 3.3Å; D193-E197 WeakPolarHBondContact O-CG 3.24Å; D193-E197 PolarHBondContact O-N 2.95Å; M194-E197 PolarHBondContact O-N 2.88Å; Y195-E197 VanDerWaalsContact C-N 3.35Å; Y195-E197 PolarHBondContact O-N 3.18Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.48Å; E197-D200 PolarHBondContact O-N 2.9Å; E197-E201 WeakPolarHBondContact O-CB 3.38Å; E197-E201 WeakPolarHBondContact O-CG 3.35Å; E197-E201 PolarHBondContact O-N 3.28Å
198	V	72.9	Confident	64.8	Low	6 Å²	6	50.6 Å²	50.6	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-42.6	173.9	169.3	0	0	0	0	110.9	M194 Y195 D200 L202 K905 L906 F909	M194-V198 WeakPolarHBondContact O-CG2 3.29Å; M194-V198 PolarHBondContact O-N 3.2Å; Y195-V198 CarbonylContact O-C 3.43Å; Y195-V198 WeakPolarHBondContact O-CB 3.25Å; Y195-V198 PolarHBondContact O-N 3.07Å; V198-D200 VanDerWaalsContact C-N 3.32Å; V198-D200 PolarHBondContact O-N 2.81Å; V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.38Å; V198-L202 VanDerWaalsContact O-CB 3.29Å; V198-L202 WeakPolarHBondContact O-CB 3.34Å; V198-L202 WeakPolarHBondContact O-CD1 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.36Å; V198-L202 PolarHBondContact O-N 3.3Å; V198-K905 HydrophobicContact CG2-CB 4.45Å; V198-L906 HydrophobicContact CG1-CD2 3.52Å; V198-L906 HydrophobicContact CG1-CG 4.5Å; V198-F909 HydrophobicContact CG2-CB 4.26Å
199	L	65.9	Low	64.3	Low	21 Å²	21	51.6 Å²	51.6	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-44.4	175.5	-65	-173.1	0	0	0	111.3	Y195 S196 E197 S203 L215	Y195-L199 HydrophobicContact CD1-CD1 4Å; Y195-L199 HydrophobicContact CD1-CD2 4.37Å; Y195-L199 HydrophobicContact CD1-CG 4.08Å; Y195-L199 HydrophobicContact CD2-CD2 4.47Å; Y195-L199 HydrophobicContact CE1-CD1 3.72Å; Y195-L199 HydrophobicContact CE1-CD2 3.82Å; Y195-L199 HydrophobicContact CE1-CG 3.93Å; Y195-L199 HydrophobicContact CE2-CD2 3.92Å; Y195-L199 HydrophobicContact CG-CG 4.46Å; Y195-L199 VanDerWaalsContact O-CG 3.26Å; Y195-L199 WeakPolarHBondContact O-CG 3.24Å; Y195-L199 PolarHBondContact O-N 2.91Å; S196-L199 WeakPolarHBondContact O-CB 3.43Å; S196-L199 PolarHBondContact O-N 3.04Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.48Å; L199-S203 WeakPolarHBondContact O-CB 3.33Å; L199-S203 PolarHBondContact O-N 3.03Å; L199-L215 HydrophobicContact CD2-CB 3.36Å; L199-L215 HydrophobicContact CD2-CD1 3.18Å; L199-L215 HydrophobicContact CD2-CD2 3.85Å; L199-L215 HydrophobicContact CD2-CG 3.57Å; L199-L215 HydrophobicContact CG-CD1 4.43Å
200	D	67.2	Low	63.4	Low	47 Å²	47	52.6 Å²	52.6	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-43.5	-175.1	-74.9	-12.3	0	0	0	111.3	S196 E197 V198 S203 D204 K269	S196-D200 VanDerWaalsContact O-CB 3.31Å; S196-D200 WeakPolarHBondContact O-CB 3.42Å; S196-D200 PolarHBondContact O-N 3.45Å; E197-D200 PolarHBondContact O-N 2.9Å; V198-D200 VanDerWaalsContact C-N 3.32Å; V198-D200 PolarHBondContact O-N 2.81Å; D200-S203 WeakPolarHBondContact O-CB 3.45Å; D200-S203 PolarHBondContact O-N 3.44Å; D200-S203 VanDerWaalsContact O-N 3.16Å; D200-D204 WeakPolarHBondContact O-CB 3.44Å; D200-D204 PolarHBondContact O-N 3.29Å; D200-K269 IonicContact OD1-NZ 3.55Å; D200-K269 PolarHBondContact OD1-NZ 3.48Å; D200-K269 WeakPolarHBondContact OD2-CE 3.31Å; D200-K269 IonicContact OD2-NZ 3.57Å; D200-K269 PolarHBondContact OD2-NZ 2.97Å
201	E	68.7	Low	62.4	Low	45 Å²	45	51.6 Å²	51.6	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-46.8	173.8	-73.6	177.3	-171.6	0	0	110.7	E197 S203 D204 L205 H901 K905	E197-E201 WeakPolarHBondContact O-CB 3.38Å; E197-E201 WeakPolarHBondContact O-CG 3.35Å; E197-E201 PolarHBondContact O-N 3.28Å; E201-S203 VanDerWaalsContact C-N 3.29Å; E201-S203 PolarHBondContact O-N 3.07Å; E201-D204 PolarHBondContact O-N 3.18Å; E201-L205 WeakPolarHBondContact O-CB 3.37Å; E201-L205 WeakPolarHBondContact O-CD1 3.41Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 3.14Å; E201-H901 IonicContact OE1-NE2 2.76Å; E201-K905 WeakPolarHBondContact OE2-CG 3Å
202	L	66.7	Low	61.4	Low	3 Å²	3	56.8 Å²	56.8	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-35.5	175.2	-69	172.5	0	0	0	112.2	V198 D206 L215 Y494 I902	V198-L202 HydrophobicContact CG1-CD1 3.76Å; V198-L202 HydrophobicContact CG1-CG 4.38Å; V198-L202 VanDerWaalsContact O-CB 3.29Å; V198-L202 WeakPolarHBondContact O-CB 3.34Å; V198-L202 WeakPolarHBondContact O-CD1 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.36Å; V198-L202 PolarHBondContact O-N 3.3Å; L202-D206 PolarHBondContact O-N 3.25Å; L202-L215 HydrophobicContact CB-CD1 4.49Å; L202-L215 HydrophobicContact CD1-CD1 3.67Å; L202-Y494 HydrophobicContact CD2-CE2 3.59Å; L202-Y494 WeakPolarHBondContact CD2-OH 3.42Å; L202-I902 HydrophobicContact CD2-CG2 3.9Å
203	S	61.3	Low	60.7	Low	35 Å²	35	59.7 Å²	59.7	25%	0.245	33%	0.325	C	S	.	.	H	α-helix	trans	-69.7	-42.6	178	174.9	0	0	0	0	113.1	L199 D200 E201 L205 Q212	L199-S203 WeakPolarHBondContact O-CB 3.33Å; L199-S203 PolarHBondContact O-N 3.03Å; D200-S203 WeakPolarHBondContact O-CB 3.45Å; D200-S203 PolarHBondContact O-N 3.44Å; D200-S203 VanDerWaalsContact O-N 3.16Å; E201-S203 VanDerWaalsContact C-N 3.29Å; E201-S203 PolarHBondContact O-N 3.07Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.39Å; S203-Q212 PolarHBondContact OG-NE2 3.44Å
204	D	61.8	Low	60.1	Low	136 Å²	136	61.7 Å²	61.7	73%	0.727	33%	0.333	S	S	*	.	H	α-helix	trans	-70.2	-28.5	-178.7	-76.4	-14.7	0	0	0	111.6	D200 E201	D200-D204 WeakPolarHBondContact O-CB 3.44Å; D200-D204 PolarHBondContact O-N 3.29Å; E201-D204 PolarHBondContact O-N 3.18Å
205	L	56.9	Low	59.9	Low	68 Å²	68	60.9 Å²	60.9	36%	0.356	33%	0.329	S	S	.	.	H	α-helix	trans	-81.5	-43	-178.3	-69.9	168.1	0	0	0	113.1	E201 S203 I902	E201-L205 WeakPolarHBondContact O-CB 3.37Å; E201-L205 WeakPolarHBondContact O-CD1 3.41Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 3.14Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.39Å; L205-I902 HydrophobicContact CD1-CD1 3.34Å; L205-I902 HydrophobicContact CD1-CG1 3.62Å
206	D	55.7	Low	60.1	Low	52 Å²	52	61 Å²	61	28%	0.278	33%	0.33	S	S	.	.			trans	-109.7	57	-167.4	-77	-35	0	0	0	113.4	L202 A208 Y209 A211 Y494	L202-D206 PolarHBondContact O-N 3.25Å; D206-A208 PolarHBondContact O-N 3.45Å; D206-A208 VanDerWaalsContact O-N 3.1Å; D206-Y209 WeakPolarHBondContact CB-O 3.27Å; D206-Y209 PolarHBondContact O-N 3.33Å; D206-A211 HydrophobicContact CB-CB 4.16Å; D206-Y494 PolarHBondContact OD2-OH 3.18Å
207	S	49.6	Very low	60.8	Low	119 Å²	119	61.9 Å²	61.9	83%	0.832	33%	0.33	S	S	*	.	S	Bend	trans	-59.3	-13.4	160.4	53.9	0	0	0	0	113.3
208	A	48.4	Very low	61.7	Low	83 Å²	83	59 Å²	59	69%	0.686	32%	0.317	S	S	*	.	S	Bend	trans	-93.9	-28.4	-177.9	0	0	0	0	0	114.8	D206	D206-A208 PolarHBondContact O-N 3.45Å; D206-A208 VanDerWaalsContact O-N 3.1Å
209	Y	44.3	Very low	62.6	Low	182 Å²	182	58.8 Å²	58.8	71%	0.714	32%	0.315	S	S	*	.	S	Bend	trans	-130.6	123.7	176.5	-79.8	-86.2	0	0	0	107.1	D206 A211	D206-Y209 WeakPolarHBondContact CB-O 3.27Å; D206-Y209 PolarHBondContact O-N 3.33Å; Y209-A211 PolarHBondContact O-N 3.25Å
210	N	49	Very low	64	Low	118 Å²	118	57.8 Å²	57.8	63%	0.631	31%	0.31	S	S	*	.			trans	-62.6	62.5	-174.6	-61.2	-29.6	0	0	0	113.7	Q212 D213	N210-Q212 PolarHBondContact O-N 3.17Å; N210-D213 HydrophobicContact CB-CB 4.31Å; N210-D213 WeakPolarHBondContact CB-OD2 3.38Å; N210-D213 WeakPolarHBondContact O-CA 3.49Å; N210-D213 VanDerWaalsContact O-CB 3.28Å; N210-D213 WeakPolarHBondContact O-CB 3.31Å; N210-D213 PolarHBondContact O-N 3.16Å
211	A	48.6	Very low	65.2	Low	5 Å²	5	55.8 Å²	55.8	4%	0.041	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.1	-23.3	178.1	0	0	0	0	0	111.3	D206 Y209 D213 Q214	D206-A211 HydrophobicContact CB-CB 4.16Å; Y209-A211 PolarHBondContact O-N 3.25Å; A211-D213 PolarHBondContact O-N 2.96Å; A211-D213 VanDerWaalsContact O-N 3.16Å; A211-Q214 WeakPolarHBondContact O-CB 3.19Å; A211-Q214 PolarHBondContact O-N 3.19Å
212	Q	49.7	Very low	66.3	Low	121 Å²	121	53.7 Å²	53.7	57%	0.565	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-52.2	-33.5	165.7	-72.1	-173.7	-9.3	0	0	111.7	S203 N210 Q214 R217	S203-Q212 PolarHBondContact OG-NE2 3.44Å; N210-Q212 PolarHBondContact O-N 3.17Å; Q212-Q214 VanDerWaalsContact C-N 3.28Å; Q212-Q214 PolarHBondContact O-N 2.74Å; Q212-R217 PolarHBondContact O-NH2 3.47Å
213	D	55.1	Low	67.4	Low	63 Å²	63	54.9 Å²	54.9	34%	0.337	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-79.9	-4.7	177.6	-64	-26.9	0	0	0	113.5	N210 A211 R217 N355	N210-D213 HydrophobicContact CB-CB 4.31Å; N210-D213 WeakPolarHBondContact CB-OD2 3.38Å; N210-D213 WeakPolarHBondContact O-CA 3.49Å; N210-D213 VanDerWaalsContact O-CB 3.28Å; N210-D213 WeakPolarHBondContact O-CB 3.31Å; N210-D213 PolarHBondContact O-N 3.16Å; A211-D213 PolarHBondContact O-N 2.96Å; A211-D213 VanDerWaalsContact O-N 3.16Å; D213-R217 IonicContact OD1-NH2 3.87Å; D213-N355 PolarHBondContact O-ND2 2.74Å; D213-N355 PolarHBondContact O-OD1 3.13Å
214	Q	58.8	Low	68.7	Low	83 Å²	83	57 Å²	57	39%	0.388	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-19	178.9	-65.1	-179.9	-12.5	0	0	112.9	A211 Q212 N357 S486	A211-Q214 WeakPolarHBondContact O-CB 3.19Å; A211-Q214 PolarHBondContact O-N 3.19Å; Q212-Q214 VanDerWaalsContact C-N 3.28Å; Q212-Q214 PolarHBondContact O-N 2.74Å; Q214-N357 PolarHBondContact O-ND2 2.99Å; Q214-S486 PolarHBondContact O-OG 3.48Å; Q214-S486 VanDerWaalsContact O-OG 3.12Å
215	L	65.3	Low	69.7	Low	11 Å²	11	54.4 Å²	54.4	6%	0.058	29%	0.294	C	S	.	.	S	Bend	trans	-93.2	134	-171	-70.1	151.1	0	0	0	112.7	Y195 L199 L202 R217 V487	Y195-L215 HydrophobicContact CE2-CD2 4.1Å; L199-L215 HydrophobicContact CD2-CB 3.36Å; L199-L215 HydrophobicContact CD2-CD1 3.18Å; L199-L215 HydrophobicContact CD2-CD2 3.85Å; L199-L215 HydrophobicContact CD2-CG 3.57Å; L199-L215 HydrophobicContact CG-CD1 4.43Å; L202-L215 HydrophobicContact CB-CD1 4.49Å; L202-L215 HydrophobicContact CD1-CD1 3.67Å; L215-R217 PolarHBondContact O-N 3.28Å; L215-V487 HydrophobicContact CD2-CG2 4.26Å
216	P	76.6	Confident	71	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.019	28%	0.278	C	S	.	.			trans	-51.5	131.2	179.2	-39.2	44.9	0	0	0	115.8	Y195 N357 F479 M482 V483	Y195-P216 WeakPolarHBondContact OH-CD 3.31Å; Y195-P216 PolarHBondContact OH-O 2.92Å; P216-N357 VanDerWaalsContact CA-O 3.25Å; P216-N357 WeakPolarHBondContact CA-O 3.48Å; P216-N357 HydrophobicContact CG-CB 4.36Å; P216-F479 HydrophobicContact CB-CD2 4.37Å; P216-F479 HydrophobicContact CB-CE2 4.09Å; P216-F479 VanDerWaalsContact O-CE2 3.27Å; P216-F479 WeakPolarHBondContact O-CE2 3.37Å; P216-M482 HydrophobicContact CB-CB 4.49Å; P216-M482 HydrophobicContact CB-CE 3.49Å; P216-M482 VanDerWaalsContact CB-CE 3.49Å; P216-M482 HydrophobicContact CB-CG 4.45Å; P216-M482 HydrophobicContact CG-CB 4.22Å; P216-M482 HydrophobicContact CG-CE 3.86Å; P216-M482 HydrophobicContact CG-CG 3.91Å; P216-V483 HydrophobicContact CB-CG2 3.6Å; P216-V483 HydrophobicContact CG-CG2 4.01Å
217	R	82.6	Confident	72.5	Confident	39 Å²	39	49.3 Å²	49.3	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.1	172.9	63	-177.9	97.6	164	10.7	110.7	Q212 D213 L215 V219 Y352 A358 I359	Q212-R217 PolarHBondContact O-NH2 3.47Å; D213-R217 IonicContact OD1-NH2 3.87Å; L215-R217 PolarHBondContact O-N 3.28Å; R217-V219 HydrophobicContact CG-CG2 3.97Å; R217-Y352 VanDerWaalsContact NH1-CE1 3.33Å; R217-A358 HydrophobicContact CG-CB 4.25Å; R217-A358 CarbonylContact O-C 3.43Å; R217-A358 WeakPolarHBondContact O-CA 3Å; R217-I359 PolarHBondContact O-N 3.36Å
218	V	91.4	Very high	74.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.9	171.9	-175.4	0	0	0	0	108.1	V322 L323 V324 I359 L361 V475 F479	V218-V322 PolarHBondContact N-O 2.64Å; V218-L323 HydrophobicContact CB-CD2 3.57Å; V218-L323 HydrophobicContact CG1-CD2 3.72Å; V218-L323 HydrophobicContact CG2-CD2 4.05Å; V218-L323 CarbonylContact O-C 3.54Å; V218-L323 WeakPolarHBondContact O-CA 3.2Å; V218-V324 PolarHBondContact O-N 3.48Å; V218-I359 CarbonylContact C-O 3.6Å; V218-I359 WeakPolarHBondContact CA-O 3.33Å; V218-I359 HydrophobicContact CG1-CG2 4.35Å; V218-I359 HydrophobicContact CG2-CB 4.31Å; V218-I359 HydrophobicContact CG2-CD1 4.36Å; V218-L361 HydrophobicContact CG1-CB 4.05Å; V218-V475 HydrophobicContact CB-CG1 4.47Å; V218-V475 HydrophobicContact CG1-CG1 3.92Å; V218-V475 HydrophobicContact CG2-CG1 3.76Å; V218-F479 HydrophobicContact CG2-CB 4.33Å; V218-F479 HydrophobicContact CG2-CD2 3.83Å; V218-F479 HydrophobicContact CG2-CG 4.39Å
219	V	92.2	Very high	76.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.8	-178.9	-176.1	0	0	0	0	108.5	R217 V221 L326 Y352 A358 I359 L361	R217-V219 HydrophobicContact CG-CG2 3.97Å; V219-V221 HydrophobicContact CG1-CG1 4.03Å; V219-L326 HydrophobicContact CG1-CD1 3.32Å; V219-L326 HydrophobicContact CG1-CG 3.87Å; V219-Y352 HydrophobicContact CG2-CD1 4.45Å; V219-A358 HydrophobicContact CG2-CB 3.97Å; V219-I359 PolarHBondContact N-O 3.49Å; V219-L361 PolarHBondContact O-N 3.32Å
220	V	93.6	Very high	78.6	Confident	1 Å²	1	34 Å²	34	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.5	179.9	-169.5	0	0	0	0	109.3	K228 V324 L326 L361 V363	V220-K228 HydrophobicContact CG1-CB 3.83Å; V220-K228 HydrophobicContact CG1-CD 4.3Å; V220-K228 HydrophobicContact CG1-CG 3.9Å; V220-V324 PolarHBondContact N-O 2.72Å; V220-L326 PolarHBondContact O-N 3.3Å; V220-L361 HydrophobicContact CG1-CD2 4.3Å; V220-L361 HydrophobicContact CG2-CB 4.38Å; V220-L361 HydrophobicContact CG2-CD2 4.01Å; V220-V363 HydrophobicContact CG1-CG2 3.74Å
221	V	92.7	Very high	80.6	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.024	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.2	-179	-66.3	0	0	0	0	111	V219 L326 M353 I360 L361 C362 V363 V375 V379	V219-V221 HydrophobicContact CG1-CG1 4.03Å; V221-L326 HydrophobicContact CG1-CD1 3.95Å; V221-M353 HydrophobicContact CB-SD 4.45Å; V221-M353 HydrophobicContact CG1-CE 4.38Å; V221-M353 HydrophobicContact CG1-CG 4.17Å; V221-M353 HydrophobicContact CG1-SD 3.84Å; V221-M353 HydrophobicContact CG2-SD 4.13Å; V221-I360 HydrophobicContact CG2-CG2 3.48Å; V221-I360 VanDerWaalsContact CG2-CG2 3.48Å; V221-L361 PolarHBondContact N-O 3.35Å; V221-C362 HydrophobicContact CG2-CB 4.37Å; V221-V363 PolarHBondContact O-N 2.78Å; V221-V375 HydrophobicContact CB-CG2 4.09Å; V221-V375 HydrophobicContact CG2-CG2 3.91Å; V221-V379 HydrophobicContact CG2-CG2 3.88Å
222	G	91.4	Very high	82.6	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.01	15%	0.151	C	C	.	.			trans	160.8	157	-172.4	0	0	0	0	0	112.2	K228 G328 I329 V363	G222-K228 PolarHBondContact O-NZ 3.11Å; G222-G328 WeakPolarHBondContact O-CA 3.42Å; G222-I329 PolarHBondContact O-N 2.99Å; G222-I329 VanDerWaalsContact O-N 3.09Å; G222-V363 VanDerWaalsContact CA-O 3.27Å; G222-V363 WeakPolarHBondContact CA-O 3.5Å
223	D	90.9	Very high	84.6	Confident	29 Å²	29	22.5 Å²	22.5	16%	0.155	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-61.2	161.7	179.2	-59.8	-44	0	0	0	112.2	S225 S226 K228 I329 S373 N374 V375	D223-S225 PolarHBondContact O-N 2.85Å; D223-S226 WeakPolarHBondContact O-CB 3.37Å; D223-S226 PolarHBondContact O-N 3.25Å; D223-S226 PolarHBondContact O-OG 3.1Å; D223-S226 VanDerWaalsContact O-OG 3.07Å; D223-K228 PolarHBondContact O-NZ 3.42Å; D223-I329 WeakPolarHBondContact CA-O 3.3Å; D223-S373 VanDerWaalsContact OD2-CA 3.24Å; D223-S373 WeakPolarHBondContact OD2-CA 3.39Å; D223-S373 VanDerWaalsContact OD2-CB 3.27Å; D223-S373 WeakPolarHBondContact OD2-CB 3.22Å; D223-S373 PolarHBondContact OD2-OG 3.48Å; D223-N374 PolarHBondContact OD1-N 3.35Å; D223-V375 PolarHBondContact OD1-N 3.43Å
224	Q	87.5	Confident	86.2	Confident	80 Å²	80	19.8 Å²	19.8	37%	0.374	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.2	171.9	-171	-177.5	1.4	0	0	110.2	S226 I329 I330	Q224-S226 PolarHBondContact O-N 2.84Å; Q224-I329 PolarHBondContact N-O 3.22Å; Q224-I330 HydrophobicContact CB-CG2 4.27Å
225	S	82.8	Confident	87.7	Confident	80 Å²	80	16.1 Å²	16.1	56%	0.559	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	12.6	-179.8	-51.5	0	0	0	0	116.3	D223 G227 K395	D223-S225 PolarHBondContact O-N 2.85Å; S225-G227 PolarHBondContact O-N 2.85Å; S225-K395 PolarHBondContact O-NZ 3.26Å
226	S	85.2	Confident	88.9	Confident	2 Å²	2	15.6 Å²	15.6	1%	0.014	9%	0.09	C	C	.	.	S	Bend	trans	-69.5	-6.6	173.6	73.9	0	0	0	0	114.4	D223 Q224 V363 T394	D223-S226 WeakPolarHBondContact O-CB 3.37Å; D223-S226 PolarHBondContact O-N 3.25Å; D223-S226 PolarHBondContact O-OG 3.1Å; D223-S226 VanDerWaalsContact O-OG 3.07Å; Q224-S226 PolarHBondContact O-N 2.84Å; S226-V363 WeakPolarHBondContact CB-O 3.28Å; S226-V363 PolarHBondContact OG-O 3.49Å; S226-V363 VanDerWaalsContact OG-O 3.08Å; S226-T394 PolarHBondContact O-OG1 3.31Å
227	G	87.9	Confident	89.3	Confident	11 Å²	11	18.2 Å²	18.2	11%	0.113	10%	0.102	C	C	.	.	S	Bend	trans	90.3	13.1	179.7	0	0	0	0	0	115.3	S225 T229 S230 V231	S225-G227 PolarHBondContact O-N 2.85Å; G227-T229 PolarHBondContact O-N 2.91Å; G227-S230 CarbonylContact O-C 3.55Å; G227-S230 WeakPolarHBondContact O-CA 3.42Å; G227-S230 WeakPolarHBondContact O-CB 3.44Å; G227-S230 PolarHBondContact O-N 2.89Å; G227-V231 WeakPolarHBondContact O-CG2 3.49Å; G227-V231 PolarHBondContact O-N 2.96Å
228	K	90.4	Very high	89.5	Confident	10 Å²	10	16.6 Å²	16.6	4%	0.043	10%	0.097	C	C	.	.	H	α-helix	trans	-43.8	-59.7	175.6	-69.9	-177.6	-63.8	-59.4	0	113.9	V220 G222 D223 S230 V231 L232 L326 V363	V220-K228 HydrophobicContact CG1-CB 3.83Å; V220-K228 HydrophobicContact CG1-CD 4.3Å; V220-K228 HydrophobicContact CG1-CG 3.9Å; G222-K228 PolarHBondContact O-NZ 3.11Å; D223-K228 PolarHBondContact O-NZ 3.42Å; K228-S230 PolarHBondContact O-N 3.29Å; K228-V231 WeakPolarHBondContact O-CB 3.47Å; K228-V231 PolarHBondContact O-N 2.95Å; K228-V231 VanDerWaalsContact O-N 3.11Å; K228-L232 PolarHBondContact O-N 3.45Å; K228-L326 VanDerWaalsContact CE-O 3.29Å; K228-L326 WeakPolarHBondContact CE-O 3.46Å; K228-V363 HydrophobicContact CG-CB 3.94Å; K228-V363 HydrophobicContact CG-CG1 4.42Å; K228-V363 HydrophobicContact CG-CG2 4.23Å
229	T	89.9	Confident	89.3	Confident	26 Å²	26	17.1 Å²	17.1	16%	0.16	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-34.9	-179.4	-46.8	0	0	0	0	111.1	G227 L232 E233 F241 T250 D325	G227-T229 PolarHBondContact O-N 2.91Å; T229-L232 PolarHBondContact O-N 3.08Å; T229-E233 VanDerWaalsContact O-CG 3.31Å; T229-E233 WeakPolarHBondContact O-CG 3.25Å; T229-E233 PolarHBondContact O-N 2.79Å; T229-F241 HydrophobicContact CG2-CB 3.28Å; T229-F241 HydrophobicContact CG2-CD1 3.78Å; T229-F241 HydrophobicContact CG2-CD2 3.32Å; T229-F241 HydrophobicContact CG2-CE1 4.39Å; T229-F241 HydrophobicContact CG2-CE2 4.01Å; T229-F241 HydrophobicContact CG2-CG 3.18Å; T229-T250 PolarHBondContact OG1-OG1 3.48Å; T229-D325 PolarHBondContact OG1-OD2 3.42Å
230	S	89.8	Confident	89	Confident	27 Å²	27	17.1 Å²	17.1	19%	0.189	10%	0.099	C	C	.	.	H	α-helix	trans	-68.4	-37.7	174.9	-54.7	0	0	0	0	112.9	G227 K228 L232 E233 M234 R243	G227-S230 CarbonylContact O-C 3.55Å; G227-S230 WeakPolarHBondContact O-CA 3.42Å; G227-S230 WeakPolarHBondContact O-CB 3.44Å; G227-S230 PolarHBondContact O-N 2.89Å; K228-S230 PolarHBondContact O-N 3.29Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-E233 PolarHBondContact O-N 2.88Å; S230-M234 WeakPolarHBondContact O-CG 3.25Å; S230-M234 PolarHBondContact O-N 3.13Å; S230-M234 VanDerWaalsContact O-N 3.07Å; S230-R243 PolarHBondContact OG-NH2 3.27Å
231	V	91.1	Very high	88.8	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-43.7	171.2	174.1	0	0	0	0	109.6	G227 K228 E233 M234 I235 L361 V363 V392 T394 V428 T430 L471	G227-V231 WeakPolarHBondContact O-CG2 3.49Å; G227-V231 PolarHBondContact O-N 2.96Å; K228-V231 WeakPolarHBondContact O-CB 3.47Å; K228-V231 PolarHBondContact O-N 2.95Å; K228-V231 VanDerWaalsContact O-N 3.11Å; V231-E233 PolarHBondContact O-N 2.76Å; V231-M234 PolarHBondContact O-N 2.96Å; V231-I235 HydrophobicContact CG1-CD1 3.87Å; V231-I235 HydrophobicContact CG1-CG1 4.45Å; V231-I235 WeakPolarHBondContact O-CG1 3.45Å; V231-I235 PolarHBondContact O-N 3.48Å; V231-L361 HydrophobicContact CG1-CD2 4.38Å; V231-V363 HydrophobicContact CG2-CG1 4.14Å; V231-V392 HydrophobicContact CG2-CG1 4.5Å; V231-T394 HydrophobicContact CG2-CG2 3.59Å; V231-V428 HydrophobicContact CG2-CG2 4.17Å; V231-T430 HydrophobicContact CG2-CG2 3.86Å; V231-L471 HydrophobicContact CG1-CD2 3.97Å
232	L	90.7	Very high	88.3	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.2	-156.6	156	0	0	0	111.8	K228 T229 S230 M234 I235 A236 F241 V256 L323 D325	K228-L232 PolarHBondContact O-N 3.45Å; T229-L232 PolarHBondContact O-N 3.08Å; S230-L232 VanDerWaalsContact C-N 3.33Å; L232-M234 VanDerWaalsContact C-N 3.28Å; L232-M234 PolarHBondContact O-N 2.95Å; L232-I235 PolarHBondContact O-N 3.48Å; L232-A236 HydrophobicContact CD2-CB 4.31Å; L232-A236 VanDerWaalsContact O-CB 3.3Å; L232-A236 WeakPolarHBondContact O-CB 3.34Å; L232-A236 PolarHBondContact O-N 2.77Å; L232-F241 HydrophobicContact CB-CE2 4.25Å; L232-F241 HydrophobicContact CD1-CE2 4.38Å; L232-F241 HydrophobicContact CD1-CZ 4.22Å; L232-F241 HydrophobicContact CD2-CE2 3.54Å; L232-F241 HydrophobicContact CD2-CZ 3.94Å; L232-F241 HydrophobicContact CG-CE2 4.23Å; L232-V256 HydrophobicContact CD1-CG2 4.44Å; L232-V256 HydrophobicContact CD2-CB 4.09Å; L232-V256 HydrophobicContact CD2-CG1 4.25Å; L232-V256 HydrophobicContact CD2-CG2 3.92Å; L232-L323 HydrophobicContact CD1-CB 3.92Å; L232-L323 HydrophobicContact CD1-CD1 4.31Å; L232-L323 HydrophobicContact CD2-CD1 4.19Å; L232-L323 HydrophobicContact CG-CB 4.31Å; L232-L323 HydrophobicContact CG-CD1 3.78Å; L232-D325 HydrophobicContact CD1-CB 3.8Å
233	E	90.6	Very high	87.5	Confident	1 Å²	1	21 Å²	21	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-37.9	175.4	-72.3	178.2	151.8	0	0	112.8	T229 S230 V231 A236 Q237 A238 R239 F241 R243	T229-E233 VanDerWaalsContact O-CG 3.31Å; T229-E233 WeakPolarHBondContact O-CG 3.25Å; T229-E233 PolarHBondContact O-N 2.79Å; S230-E233 PolarHBondContact O-N 2.88Å; V231-E233 PolarHBondContact O-N 2.76Å; E233-A236 CarbonylContact O-C 3.49Å; E233-Q237 CarbonylContact O-C 3.55Å; E233-Q237 WeakPolarHBondContact O-CA 3.39Å; E233-Q237 PolarHBondContact O-N 2.82Å; E233-A238 WeakPolarHBondContact CA-O 3.41Å; E233-A238 WeakPolarHBondContact CB-O 3.36Å; E233-A238 WeakPolarHBondContact CG-O 3.44Å; E233-A238 PolarHBondContact O-N 3.07Å; E233-R239 WeakPolarHBondContact OE2-CD 3.35Å; E233-R239 IonicContact OE2-CZ 2.69Å; E233-R239 IonicContact OE2-NE 3Å; E233-R239 IonicContact OE2-NH1 3.92Å; E233-R239 PolarHBondContact OE2-NH1 2.89Å; E233-R239 VanDerWaalsContact OE2-NH1 3.13Å; E233-F241 HydrophobicContact CG-CD2 3.74Å; E233-F241 HydrophobicContact CG-CE2 4.47Å; E233-F241 PolarHBondContact OE1-N 3.11Å; E233-R243 IonicContact OE1-NE 3.19Å; E233-R243 IonicContact OE2-CZ 2.69Å; E233-R243 IonicContact OE2-NE 3.15Å; E233-R243 PolarHBondContact OE2-NE 3.32Å; E233-R243 IonicContact OE2-NH2 3.92Å; E233-R243 PolarHBondContact OE2-NH2 2.91Å
234	M	89.7	Confident	86.4	Confident	5 Å²	5	21.2 Å²	21.2	3%	0.025	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-38.7	176.2	-71.2	-59.3	-63.2	0	0	111.9	S230 V231 L232 Q237 T430 I439 I442 K443 T468	S230-M234 WeakPolarHBondContact O-CG 3.25Å; S230-M234 PolarHBondContact O-N 3.13Å; S230-M234 VanDerWaalsContact O-N 3.07Å; V231-M234 PolarHBondContact O-N 2.96Å; L232-M234 VanDerWaalsContact C-N 3.28Å; L232-M234 PolarHBondContact O-N 2.95Å; M234-Q237 PolarHBondContact O-N 3.28Å; M234-T430 HydrophobicContact CG-CG2 4.13Å; M234-I439 HydrophobicContact SD-CD1 3.78Å; M234-I439 HydrophobicContact SD-CG2 4.45Å; M234-I442 HydrophobicContact CE-CB 4.18Å; M234-I442 HydrophobicContact CE-CG2 3.62Å; M234-I442 HydrophobicContact SD-CB 4.02Å; M234-I442 HydrophobicContact SD-CD1 4.28Å; M234-I442 HydrophobicContact SD-CG2 3.5Å; M234-I442 VanDerWaalsContact SD-CG2 3.5Å; M234-K443 HydrophobicContact CE-CG 3.83Å; M234-T468 HydrophobicContact CB-CG2 3.51Å
235	I	90.5	Very high	85.2	Confident	6 Å²	6	20.9 Å²	20.9	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-68.9	-41.7	175.4	-61.5	167.4	0	0	0	110.9	V231 L232 Q237 L258 M321 L323 T468	V231-I235 HydrophobicContact CG1-CD1 3.87Å; V231-I235 HydrophobicContact CG1-CG1 4.45Å; V231-I235 WeakPolarHBondContact O-CG1 3.45Å; V231-I235 PolarHBondContact O-N 3.48Å; L232-I235 PolarHBondContact O-N 3.48Å; I235-Q237 PolarHBondContact O-N 2.87Å; I235-L258 HydrophobicContact CG2-CD1 3.65Å; I235-M321 HydrophobicContact CG2-CE 4.38Å; I235-M321 HydrophobicContact CG2-SD 4.36Å; I235-L323 HydrophobicContact CB-CD1 4.19Å; I235-L323 HydrophobicContact CD1-CD1 4.33Å; I235-L323 HydrophobicContact CG2-CD1 3.86Å; I235-T468 HydrophobicContact CG1-CG2 4.13Å
236	A	88.7	Confident	84.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.7	175.3	0	0	0	0	0	113.5	L232 E233 A238 L258 H264 L318	L232-A236 HydrophobicContact CD2-CB 4.31Å; L232-A236 VanDerWaalsContact O-CB 3.3Å; L232-A236 WeakPolarHBondContact O-CB 3.34Å; L232-A236 PolarHBondContact O-N 2.77Å; E233-A236 CarbonylContact O-C 3.49Å; A236-A238 PolarHBondContact O-N 3.45Å; A236-A238 VanDerWaalsContact O-N 3.11Å; A236-L258 HydrophobicContact CB-CD2 3.7Å; A236-H264 PolarHBondContact O-NE2 3.37Å; A236-H264 VanDerWaalsContact O-NE2 3.07Å; A236-L318 WeakPolarHBondContact O-CD2 2.83Å
237	Q	86.7	Confident	83.8	Confident	59 Å²	59	26.4 Å²	26.4	28%	0.276	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	21.4	-174.3	-53.5	-173.2	27.3	0	0	115	E233 M234 I235 H264 L318 I439	E233-Q237 CarbonylContact O-C 3.55Å; E233-Q237 WeakPolarHBondContact O-CA 3.39Å; E233-Q237 PolarHBondContact O-N 2.82Å; M234-Q237 PolarHBondContact O-N 3.28Å; I235-Q237 PolarHBondContact O-N 2.87Å; Q237-H264 PolarHBondContact O-CE1 3.01Å; Q237-H264 VanDerWaalsContact O-CE1 3.28Å; Q237-L318 HydrophobicContact CB-CD2 3.88Å; Q237-L318 HydrophobicContact CG-CD2 3.59Å; Q237-I439 HydrophobicContact CB-CG2 4.29Å; Q237-I439 WeakPolarHBondContact O-CG1 3.26Å
238	A	86.7	Confident	83.2	Confident	5 Å²	5	27 Å²	27	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	-143.9	140.3	-178.1	0	0	0	0	0	111.2	E233 A236 I240 L277	E233-A238 WeakPolarHBondContact CA-O 3.41Å; E233-A238 WeakPolarHBondContact CB-O 3.36Å; E233-A238 WeakPolarHBondContact CG-O 3.44Å; E233-A238 PolarHBondContact O-N 3.07Å; A236-A238 PolarHBondContact O-N 3.45Å; A236-A238 VanDerWaalsContact O-N 3.11Å; A238-I240 HydrophobicContact CB-CG2 3.77Å; A238-I240 PolarHBondContact O-N 3.24Å; A238-L277 HydrophobicContact CB-CB 4.2Å; A238-L277 HydrophobicContact CB-CD1 3.84Å; A238-L277 HydrophobicContact CB-CD2 4.39Å; A238-L277 HydrophobicContact CB-CG 4.38Å
239	R	86.8	Confident	82.8	Confident	11 Å²	11	29.1 Å²	29.1	4%	0.042	19%	0.191	C	C	.	.			trans	-78.9	66.1	176.7	-68.2	-64.8	-158.3	-156.7	13.9	110.9	E233 L283 R287 T430 E437 I439	E233-R239 WeakPolarHBondContact OE2-CD 3.35Å; E233-R239 IonicContact OE2-CZ 2.69Å; E233-R239 IonicContact OE2-NE 3Å; E233-R239 IonicContact OE2-NH1 3.92Å; E233-R239 PolarHBondContact OE2-NH1 2.89Å; E233-R239 VanDerWaalsContact OE2-NH1 3.13Å; R239-L283 HydrophobicContact CB-CD2 4.11Å; R239-L283 WeakPolarHBondContact O-CG 3.39Å; R239-R287 VanDerWaalsContact CB-NH2 3.27Å; R239-R287 VanDerWaalsContact O-CZ 3.23Å; R239-R287 PolarHBondContact O-NE 3.22Å; R239-R287 PolarHBondContact O-NH2 3.43Å; R239-T430 PolarHBondContact NH2-O 3.49Å; R239-E437 PolarHBondContact NE-O 2.87Å; R239-I439 HydrophobicContact CG-CD1 3.97Å; R239-I439 HydrophobicContact CG-CG1 4.16Å
240	I	86.6	Confident	82.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.186	C	C	.	.			trans	-82.5	-19.2	-172	57.4	174.1	0	0	0	114.6	A238 V256 L277 L283 L286 R287 I290 L311 V313	A238-I240 HydrophobicContact CB-CG2 3.77Å; A238-I240 PolarHBondContact O-N 3.24Å; I240-V256 HydrophobicContact CD1-CG1 4.36Å; I240-V256 HydrophobicContact CD1-CG2 4.37Å; I240-L277 HydrophobicContact CG2-CD1 4.42Å; I240-L277 HydrophobicContact CG2-CD2 3.73Å; I240-L283 HydrophobicContact CG2-CD1 4.12Å; I240-L286 HydrophobicContact CB-CD2 4.17Å; I240-L286 HydrophobicContact CG2-CD2 3.85Å; I240-R287 WeakPolarHBondContact O-CG 3.47Å; I240-I290 VanDerWaalsContact O-CD1 3.32Å; I240-I290 WeakPolarHBondContact O-CD1 3.28Å; I240-L311 HydrophobicContact CD1-CD2 3.74Å; I240-V313 HydrophobicContact CD1-CG2 4.34Å
241	F	87.7	Confident	82.4	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.013	19%	0.188	C	C	.	.	S	Bend	trans	-97	150.4	-175	-65.5	-87.2	0	0	0	112.3	T229 L232 E233 V254 V256	T229-F241 HydrophobicContact CG2-CB 3.28Å; T229-F241 HydrophobicContact CG2-CD1 3.78Å; T229-F241 HydrophobicContact CG2-CD2 3.32Å; T229-F241 HydrophobicContact CG2-CE1 4.39Å; T229-F241 HydrophobicContact CG2-CE2 4.01Å; T229-F241 HydrophobicContact CG2-CG 3.18Å; L232-F241 HydrophobicContact CB-CE2 4.25Å; L232-F241 HydrophobicContact CD1-CE2 4.38Å; L232-F241 HydrophobicContact CD1-CZ 4.22Å; L232-F241 HydrophobicContact CD2-CE2 3.54Å; L232-F241 HydrophobicContact CD2-CZ 3.94Å; L232-F241 HydrophobicContact CG-CE2 4.23Å; E233-F241 HydrophobicContact CG-CD2 3.74Å; E233-F241 HydrophobicContact CG-CE2 4.47Å; E233-F241 PolarHBondContact OE1-N 3.11Å; F241-V254 HydrophobicContact CE1-CB 3.9Å; F241-V254 HydrophobicContact CE1-CG1 3.77Å; F241-V254 HydrophobicContact CE1-CG2 4.04Å; F241-V254 HydrophobicContact CZ-CB 4.44Å; F241-V254 HydrophobicContact CZ-CG1 4.19Å; F241-V256 HydrophobicContact CZ-CG2 3.88Å
242	P	82.2	Confident	82.3	Confident	16 Å²	16	30 Å²	30	10%	0.104	19%	0.188	C	C	.	.			trans	-66.7	141.1	174.4	28.1	-34.1	0	0	0	111.3	M249 E291	P242-M249 HydrophobicContact CB-CE 3.9Å; P242-M249 HydrophobicContact CG-CE 4.43Å; P242-E291 HydrophobicContact CB-CB 4.47Å; P242-E291 HydrophobicContact CG-CB 4.32Å
243	R	75.1	Confident	82.3	Confident	69 Å²	69	30 Å²	30	26%	0.26	19%	0.188	S	C	.	.			trans	-116.8	127.2	-179.7	-68.9	178.3	164.6	-120.9	-21.7	112.1	S230 E233	S230-R243 PolarHBondContact OG-NH2 3.27Å; E233-R243 IonicContact OE1-NE 3.19Å; E233-R243 IonicContact OE2-CZ 2.69Å; E233-R243 IonicContact OE2-NE 3.15Å; E233-R243 PolarHBondContact OE2-NE 3.32Å; E233-R243 IonicContact OE2-NH2 3.92Å; E233-R243 PolarHBondContact OE2-NH2 2.91Å
244	G	67	Low	82.3	Confident	33 Å²	33	30 Å²	30	34%	0.34	19%	0.188	S	C	.	.			trans	-141.5	137.4	178.1	0	0	0	0	0	110	M249	G244-M249 WeakPolarHBondContact CA-SD 3.03Å; G244-M249 PolarHBondContact N-SD 2.86Å; G244-M249 VanDerWaalsContact N-SD 3.36Å
245	G	62.8	Low	82.3	Confident	72 Å²	72	32.1 Å²	32.1	74%	0.742	20%	0.197	S	C	*	.	S	Bend	trans	-80.8	123.8	176.5	0	0	0	0	0	109.7	E247	G245-E247 VanDerWaalsContact C-N 3.3Å; G245-E247 PolarHBondContact O-N 3.48Å
246	G	66.2	Low	82.3	Confident	80 Å²	80	31.9 Å²	31.9	83%	0.825	20%	0.196	S	C	*	.	S	Bend	trans	81.2	-7.8	172.6	0	0	0	0	0	116.5
247	E	73.1	Confident	82.2	Confident	118 Å²	118	32.2 Å²	32.2	55%	0.551	20%	0.198	S	C	*	.	S	Bend	trans	-107.6	149.9	178.1	-162.3	-178.6	164.5	0	0	112	G245 M249 R251	G245-E247 VanDerWaalsContact C-N 3.3Å; G245-E247 PolarHBondContact O-N 3.48Å; E247-M249 HydrophobicContact CB-SD 4.41Å; E247-M249 PolarHBondContact O-N 2.89Å; E247-R251 IonicContact OE1-CZ 3.01Å; E247-R251 IonicContact OE1-NH2 2.75Å; E247-R251 PolarHBondContact OE1-NH2 3.36Å
248	M	75.7	Confident	82.3	Confident	24 Å²	24	29.4 Å²	29.4	12%	0.118	18%	0.184	C	C	.	.			trans	-71.5	110.9	171.8	-175.9	171.9	78.7	0	0	110.8	R251 T303 V304 I345	M248-R251 HydrophobicContact CE-CB 4.33Å; M248-R251 HydrophobicContact CE-CG 3.87Å; M248-T303 HydrophobicContact CE-CG2 3.91Å; M248-V304 HydrophobicContact CE-CG2 3.64Å; M248-I345 HydrophobicContact SD-CD1 4.36Å
249	M	80.4	Confident	82.3	Confident	55 Å²	55	29.3 Å²	29.3	27%	0.271	18%	0.184	S	C	.	.			trans	-85.6	-39.7	-178	-52	-53.4	-72.5	0	0	113	P242 G244 E247	P242-M249 HydrophobicContact CB-CE 3.9Å; P242-M249 HydrophobicContact CG-CE 4.43Å; G244-M249 WeakPolarHBondContact CA-SD 3.03Å; G244-M249 PolarHBondContact N-SD 2.86Å; G244-M249 VanDerWaalsContact N-SD 3.36Å; E247-M249 HydrophobicContact CB-SD 4.41Å; E247-M249 PolarHBondContact O-N 2.89Å
250	T	86	Confident	82.1	Confident	11 Å²	11	33.4 Å²	33.4	7%	0.067	20%	0.203	C	C	.	.			trans	-94.4	101.6	-179.6	-47.7	0	0	0	0	109.8	T229 S252 D325	T229-T250 PolarHBondContact OG1-OG1 3.48Å; T250-S252 WeakPolarHBondContact CG2-O 3.32Å; T250-D325 PolarHBondContact OG1-OD2 3.18Å
251	R	86.2	Confident	81.9	Confident	62 Å²	62	34 Å²	34	23%	0.234	21%	0.21	C	C	.	.			trans	-104.3	-7.9	-177.1	-52.9	-170.3	179.9	-179	-1.8	114.3	E247 M248 M294 V298 V304 S305	E247-R251 IonicContact OE1-CZ 3.01Å; E247-R251 IonicContact OE1-NH2 2.75Å; E247-R251 PolarHBondContact OE1-NH2 3.36Å; M248-R251 HydrophobicContact CE-CB 4.33Å; M248-R251 HydrophobicContact CE-CG 3.87Å; R251-M294 HydrophobicContact CB-CG 3.98Å; R251-M294 HydrophobicContact CB-SD 4.23Å; R251-V298 HydrophobicContact CB-CG2 3.97Å; R251-V304 CarbonylContact O-C 3.07Å; R251-V304 WeakPolarHBondContact O-CA 3.4Å; R251-V304 VanDerWaalsContact O-CG1 3.28Å; R251-V304 WeakPolarHBondContact O-CG1 3.49Å; R251-S305 PolarHBondContact O-N 3.38Å
252	S	89.4	Confident	81.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-145.8	154	176.5	-42.8	0	0	0	0	108.8	T250 V254 M294 S305 D307	T250-S252 WeakPolarHBondContact CG2-O 3.32Å; S252-V254 PolarHBondContact O-N 3.39Å; S252-M294 WeakPolarHBondContact CB-SD 3.25Å; S252-M294 PolarHBondContact N-SD 2.95Å; S252-M294 PolarHBondContact OG-SD 2.88Å; S252-S305 WeakPolarHBondContact OG-CB 3.19Å; S252-D307 WeakPolarHBondContact CB-O 3.19Å
253	P	90.8	Very high	81.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.			trans	-56.8	133.5	175.7	-25.8	34.9	0	0	0	112.4	S305 V308 I309 V324 D325 L326 V348 Y352	P253-S305 VanDerWaalsContact CD-O 3.27Å; P253-S305 WeakPolarHBondContact CD-O 3.37Å; P253-V308 HydrophobicContact CB-CG1 4.43Å; P253-V308 HydrophobicContact CB-CG2 4.28Å; P253-V308 WeakPolarHBondContact O-CA 3.38Å; P253-I309 PolarHBondContact O-N 3.13Å; P253-V324 HydrophobicContact CB-CG1 4.43Å; P253-D325 WeakPolarHBondContact CA-O 3.21Å; P253-L326 HydrophobicContact CB-CD2 3.89Å; P253-L326 HydrophobicContact CG-CD2 4.05Å; P253-V348 HydrophobicContact CG-CG1 3.87Å; P253-Y352 HydrophobicContact CB-CE2 4.43Å; P253-Y352 HydrophobicContact CG-CE2 4.13Å
254	V	90.7	Very high	82.6	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.6	174.6	-171.8	0	0	0	0	109.6	F241 S252 V256 M294 I309 V324 D325	F241-V254 HydrophobicContact CE1-CB 3.9Å; F241-V254 HydrophobicContact CE1-CG1 3.77Å; F241-V254 HydrophobicContact CE1-CG2 4.04Å; F241-V254 HydrophobicContact CZ-CB 4.44Å; F241-V254 HydrophobicContact CZ-CG1 4.19Å; S252-V254 PolarHBondContact O-N 3.39Å; V254-V256 HydrophobicContact CG1-CG2 3.96Å; V254-M294 HydrophobicContact CG2-CE 3.53Å; V254-I309 CarbonylContact C-O 3.48Å; V254-I309 WeakPolarHBondContact CA-O 3.19Å; V254-I309 HydrophobicContact CG1-CB 4.41Å; V254-I309 HydrophobicContact CG2-CB 4.43Å; V254-V324 CarbonylContact O-C 3.55Å; V254-V324 WeakPolarHBondContact O-CA 3.35Å; V254-D325 HydrophobicContact CB-CB 4.5Å; V254-D325 PolarHBondContact N-O 2.79Å; V254-D325 PolarHBondContact O-N 2.79Å
255	K	89.3	Confident	83.8	Confident	51 Å²	51	44.6 Å²	44.6	22%	0.222	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.2	174	177.6	-179	169.5	-177.9	0	108.7	V308 I309 S310 L311 V322 L323 V324	K255-V308 HydrophobicContact CB-CG1 3.68Å; K255-I309 PolarHBondContact N-O 3.39Å; K255-S310 WeakPolarHBondContact O-CA 3.21Å; K255-L311 PolarHBondContact O-N 2.94Å; K255-V322 HydrophobicContact CD-CG1 4.29Å; K255-V322 HydrophobicContact CG-CG1 3.92Å; K255-L323 CarbonylContact C-O 3.6Å; K255-L323 WeakPolarHBondContact CA-O 3.4Å; K255-V324 HydrophobicContact CB-CG2 4.46Å; K255-V324 HydrophobicContact CG-CG2 4.45Å
256	V	89.7	Confident	85.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.2	176.3	-174.4	0	0	0	0	109.3	L232 I240 F241 V254 L258 L311 V313 L323	L232-V256 HydrophobicContact CD1-CG2 4.44Å; L232-V256 HydrophobicContact CD2-CB 4.09Å; L232-V256 HydrophobicContact CD2-CG1 4.25Å; L232-V256 HydrophobicContact CD2-CG2 3.92Å; I240-V256 HydrophobicContact CD1-CG1 4.36Å; I240-V256 HydrophobicContact CD1-CG2 4.37Å; F241-V256 HydrophobicContact CZ-CG2 3.88Å; V254-V256 HydrophobicContact CG1-CG2 3.96Å; V256-L258 HydrophobicContact CG1-CD2 3.68Å; V256-L258 HydrophobicContact CG1-CG 4.34Å; V256-L311 CarbonylContact C-O 3.56Å; V256-L311 VanDerWaalsContact CA-O 3.32Å; V256-L311 WeakPolarHBondContact CA-O 3.35Å; V256-L311 HydrophobicContact CG2-CD2 4.42Å; V256-V313 HydrophobicContact CG1-CB 4.4Å; V256-V313 HydrophobicContact CG1-CG2 3.81Å; V256-L323 PolarHBondContact N-O 3.02Å; V256-L323 PolarHBondContact O-N 3.02Å
257	T	87.9	Confident	86.2	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.7	173.6	-52.5	0	0	0	0	108.5	I192 L311 N312 V313 V322	I192-T257 HydrophobicContact CG2-CG2 3.36Å; T257-L311 PolarHBondContact N-O 3.04Å; T257-N312 VanDerWaalsContact CB-OD1 3.28Å; T257-N312 WeakPolarHBondContact CB-OD1 3.46Å; T257-N312 PolarHBondContact OG1-OD1 2.91Å; T257-V313 PolarHBondContact O-N 3.5Å; T257-V322 HydrophobicContact CG2-CG2 4.28Å
258	L	88.6	Confident	86.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124	179	-59.8	-179.1	0	0	0	109.8	I192 I235 A236 V256 V313 R320 M321 L323	I192-L258 WeakPolarHBondContact CD1-O 3.44Å; I235-L258 HydrophobicContact CG2-CD1 3.65Å; A236-L258 HydrophobicContact CB-CD2 3.7Å; V256-L258 HydrophobicContact CG1-CD2 3.68Å; V256-L258 HydrophobicContact CG1-CG 4.34Å; L258-V313 CarbonylContact C-O 3.57Å; L258-V313 WeakPolarHBondContact CA-O 3.39Å; L258-V313 HydrophobicContact CD2-CB 3.89Å; L258-V313 HydrophobicContact CD2-CG1 4.2Å; L258-R320 WeakPolarHBondContact O-CA 3.44Å; L258-M321 HydrophobicContact CD1-CG 4.11Å; L258-M321 PolarHBondContact N-O 2.74Å; L258-M321 PolarHBondContact O-N 2.83Å; L258-M321 VanDerWaalsContact O-N 3.12Å; L258-L323 HydrophobicContact CD1-CD1 3.63Å; L258-L323 HydrophobicContact CD1-CG 4.24Å; L258-L323 HydrophobicContact CG-CD1 4.41Å
259	S	85.3	Confident	86.9	Confident	3 Å²	3	37 Å²	37	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.5	173.9	70.9	0	0	0	0	112.6	I192 V313 K314 G315	I192-S259 VanDerWaalsContact CD1-CA 3.47Å; S259-V313 PolarHBondContact N-O 2.72Å; S259-K314 CarbonylContact O-C 3.6Å; S259-K314 VanDerWaalsContact O-CA 3.25Å; S259-K314 WeakPolarHBondContact O-CA 2.93Å; S259-K314 WeakPolarHBondContact OG-CD 3.42Å; S259-K314 WeakPolarHBondContact OG-CG 3.38Å; S259-G315 PolarHBondContact O-N 2.8Å
260	E	83.6	Confident	86.7	Confident	97 Å²	97	40.7 Å²	40.7	45%	0.453	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.8	170.6	-170	176.5	-166.6	0	0	110.2	G315 R320	E260-G315 WeakPolarHBondContact CA-O 3.32Å; E260-R320 HydrophobicContact CB-CG 4.39Å; E260-R320 IonicContact OE2-CZ 2.72Å; E260-R320 IonicContact OE2-NE 3.95Å; E260-R320 PolarHBondContact OE2-NE 2.72Å; E260-R320 IonicContact OE2-NH2 3.87Å; E260-R320 PolarHBondContact OE2-NH2 3.26Å
261	G	83.2	Confident	86.2	Confident	13 Å²	13	41.4 Å²	41.4	13%	0.134	21%	0.211	C	C	.	.			trans	-158.9	160.6	178.5	0	0	0	0	0	112.2	Y263 G315 P316	G261-Y263 VanDerWaalsContact C-N 3.31Å; G261-Y263 PolarHBondContact O-N 3.45Å; G261-G315 PolarHBondContact N-O 3.48Å; G261-G315 CarbonylContact O-C 3.59Å; G261-P316 WeakPolarHBondContact O-CA 3.39Å
262	P	82.3	Confident	85.7	Confident	113 Å²	113	44.7 Å²	44.7	73%	0.734	24%	0.244	S	C	*	.	S	Bend	trans	-69.4	-30.3	-179.3	27.2	-33.8	0	0	0	112.8
263	Y	87.2	Confident	85.6	Confident	177 Å²	177	51 Å²	51	69%	0.694	27%	0.268	S	S	*	.	S	Bend	trans	-117.4	141.9	-179.1	-55	-67.9	0	0	0	109.8	G261 V265 K314	G261-Y263 VanDerWaalsContact C-N 3.31Å; G261-Y263 PolarHBondContact O-N 3.45Å; Y263-V265 PolarHBondContact O-N 3.09Å; Y263-K314 CarbonylContact O-C 3.57Å
264	H	90.1	Very high	85.4	Confident	28 Å²	28	57.4 Å²	57.4	13%	0.13	30%	0.298	C	S	.	.			trans	-83.8	94.8	177.6	-157.5	-179.7	0	0	0	109.5	A236 Q237 L277 T278 K314	A236-H264 PolarHBondContact O-NE2 3.37Å; A236-H264 VanDerWaalsContact O-NE2 3.07Å; Q237-H264 PolarHBondContact O-CE1 3.01Å; Q237-H264 VanDerWaalsContact O-CE1 3.28Å; H264-L277 HydrophobicContact CB-CB 4.29Å; H264-L277 WeakPolarHBondContact CD2-CD1 3.39Å; H264-L277 WeakPolarHBondContact O-CB 3.38Å; H264-L277 PolarHBondContact O-N 3.12Å; H264-T278 HydrophobicContact CB-CG2 4.18Å; H264-K314 CarbonylContact C-O 3.55Å; H264-K314 WeakPolarHBondContact CA-O 3.41Å; H264-K314 PolarHBondContact CD2-O 3.2Å
265	V	91.4	Very high	85.4	Confident	25 Å²	25	57.8 Å²	57.8	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151	-173.1	-63.1	0	0	0	0	111.6	Y263 Y275 V313 K314	Y263-V265 PolarHBondContact O-N 3.09Å; V265-Y275 CarbonylContact C-O 3.59Å; V265-Y275 WeakPolarHBondContact CA-O 3.32Å; V265-V313 CarbonylContact O-C 3.59Å; V265-V313 WeakPolarHBondContact O-CA 3.38Å; V265-K314 HydrophobicContact CG2-CB 3.98Å; V265-K314 HydrophobicContact CG2-CG 4.38Å; V265-K314 PolarHBondContact N-O 2.89Å; V265-K314 PolarHBondContact O-N 2.86Å
266	A	90.5	Very high	85.4	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.8	171.7	0	0	0	0	0	111.7	E274 Y275 L277 L286 L311 N312 V313	A266-E274 CarbonylContact O-C 3.58Å; A266-E274 WeakPolarHBondContact O-CA 3.46Å; A266-Y275 PolarHBondContact N-O 3.15Å; A266-Y275 WeakPolarHBondContact O-CD2 3.34Å; A266-Y275 PolarHBondContact O-N 2.82Å; A266-L277 HydrophobicContact CB-CD1 4.09Å; A266-L277 HydrophobicContact CB-CD2 3.88Å; A266-L277 HydrophobicContact CB-CG 4.17Å; A266-L286 HydrophobicContact CB-CD2 3.69Å; A266-L311 HydrophobicContact CB-CD1 4.29Å; A266-N312 CarbonylContact C-O 3.59Å; A266-N312 WeakPolarHBondContact CA-O 3.35Å; A266-V313 HydrophobicContact CB-CG2 4.07Å
267	S	89.3	Confident	85.2	Confident	25 Å²	25	57.7 Å²	57.7	18%	0.175	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148.3	173.6	60.5	0	0	0	0	111.1	N312	S267-N312 PolarHBondContact N-O 3.37Å; S267-N312 PolarHBondContact O-N 3.38Å
268	F	87.3	Confident	85	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	145.7	171.9	-67.5	-82.3	0	0	0	109.6	D270 G271 Y275 L286 E289 I290 I309 L311	F268-D270 PolarHBondContact O-N 3.17Å; F268-G271 PolarHBondContact O-N 3.13Å; F268-Y275 HydrophobicContact CD2-CE2 4.08Å; F268-Y275 AromaticContact CE2-CE2 3.95Å; F268-Y275 HydrophobicContact CE2-CE2 3.95Å; F268-L286 HydrophobicContact CE2-CD1 3.71Å; F268-L286 HydrophobicContact CZ-CD1 3.87Å; F268-E289 HydrophobicContact CD2-CG 4.35Å; F268-E289 HydrophobicContact CE2-CB 4.2Å; F268-E289 HydrophobicContact CE2-CG 3.43Å; F268-E289 VanDerWaalsContact CE2-CG 3.43Å; F268-E289 HydrophobicContact CZ-CB 4.29Å; F268-E289 HydrophobicContact CZ-CG 3.69Å; F268-I290 HydrophobicContact CE1-CG1 4.01Å; F268-I290 HydrophobicContact CZ-CG1 3.65Å; F268-I309 HydrophobicContact CD1-CG2 4.28Å; F268-I309 HydrophobicContact CE1-CG2 3.96Å; F268-L311 HydrophobicContact CD1-CD1 3.99Å; F268-L311 HydrophobicContact CE1-CD1 3.94Å; F268-L311 HydrophobicContact CE2-CD1 4.48Å; F268-L311 HydrophobicContact CG-CD1 4.32Å; F268-L311 HydrophobicContact CZ-CD1 4.21Å
269	K	75.5	Confident	84.9	Confident	106 Å²	106	66.9 Å²	66.9	46%	0.461	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.6	177.5	-167.7	-179.6	-179.7	-176.7	0	112.6	D200 S310	D200-K269 IonicContact OD1-NZ 3.55Å; D200-K269 PolarHBondContact OD1-NZ 3.48Å; D200-K269 WeakPolarHBondContact OD2-CE 3.31Å; D200-K269 IonicContact OD2-NZ 3.57Å; D200-K269 PolarHBondContact OD2-NZ 2.97Å; K269-S310 PolarHBondContact N-O 3.49Å
270	D	77.1	Confident	84.9	Confident	132 Å²	132	72 Å²	72	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	1.4	179.4	-52.5	-42.5	0	0	0	113.7	F268	F268-D270 PolarHBondContact O-N 3.17Å
271	G	75.4	Confident	85	Confident	25 Å²	25	71.3 Å²	71.3	26%	0.258	38%	0.379	S	S	.	.			trans	-114.4	133.1	-175.6	0	0	0	0	0	111.9	F268 R273	F268-G271 PolarHBondContact O-N 3.13Å; G271-R273 PolarHBondContact O-N 2.8Å
272	S	76.1	Confident	85.3	Confident	131 Å²	131	72.8 Å²	72.8	92%	0.916	38%	0.382	S	S	*	.			trans	-78.9	-8.4	171.8	55.1	0	0	0	0	113.6
273	R	86.1	Confident	85.5	Confident	134 Å²	134	67.8 Å²	67.8	51%	0.506	35%	0.349	S	S	.	.			trans	-83.8	124.8	-177.5	-176	175.3	179.6	-173.9	1.7	110.9	G271 Y275	G271-R273 PolarHBondContact O-N 2.8Å; R273-Y275 HydrophobicContact CB-CE2 4.31Å; R273-Y275 HydrophobicContact CG-CD2 4.41Å; R273-Y275 HydrophobicContact CG-CE2 3.99Å
274	E	87.6	Confident	85.5	Confident	133 Å²	133	61.5 Å²	61.5	62%	0.621	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.2	166.9	-60.9	-176.3	167.1	0	0	109.8	A266	A266-E274 CarbonylContact O-C 3.58Å; A266-E274 WeakPolarHBondContact O-CA 3.46Å
275	Y	89.8	Confident	85.4	Confident	9 Å²	9	62.5 Å²	62.5	4%	0.035	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.3	177.5	-62.7	-99.9	0	0	0	108.2	V265 A266 F268 R273 L277 L286	V265-Y275 CarbonylContact C-O 3.59Å; V265-Y275 WeakPolarHBondContact CA-O 3.32Å; A266-Y275 PolarHBondContact N-O 3.15Å; A266-Y275 WeakPolarHBondContact O-CD2 3.34Å; A266-Y275 PolarHBondContact O-N 2.82Å; F268-Y275 HydrophobicContact CD2-CE2 4.08Å; F268-Y275 AromaticContact CE2-CE2 3.95Å; F268-Y275 HydrophobicContact CE2-CE2 3.95Å; R273-Y275 HydrophobicContact CB-CE2 4.31Å; R273-Y275 HydrophobicContact CG-CD2 4.41Å; R273-Y275 HydrophobicContact CG-CE2 3.99Å; Y275-L277 PolarHBondContact O-N 3.42Å; Y275-L286 HydrophobicContact CD1-CB 3.88Å; Y275-L286 HydrophobicContact CD1-CD1 4.43Å; Y275-L286 HydrophobicContact CD2-CD1 3.88Å; Y275-L286 HydrophobicContact CE1-CB 4.33Å; Y275-L286 HydrophobicContact CE2-CD1 4.11Å; Y275-L286 HydrophobicContact CG-CB 4.09Å; Y275-L286 HydrophobicContact CG-CD1 4.06Å
276	D	88.7	Confident	85.4	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.193	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112.9	174.1	-174.6	-8.1	0	0	0	110.1	T278 K279 E282	D276-T278 VanDerWaalsContact CG-OG1 3.25Å; D276-T278 PolarHBondContact O-N 3.32Å; D276-T278 WeakPolarHBondContact OD1-CB 3.34Å; D276-T278 PolarHBondContact OD1-N 2.86Å; D276-T278 PolarHBondContact OD1-OG1 2.75Å; D276-T278 PolarHBondContact OD2-OG1 3.15Å; D276-K279 PolarHBondContact O-N 3.11Å; D276-K279 WeakPolarHBondContact OD2-CE 3.38Å; D276-K279 IonicContact OD2-NZ 3.25Å; D276-K279 PolarHBondContact OD2-NZ 3.42Å; D276-E282 WeakPolarHBondContact CB-OE2 3.44Å; D276-E282 PolarHBondContact N-OE2 3.29Å; D276-E282 VanDerWaalsContact O-CB 3.32Å; D276-E282 WeakPolarHBondContact O-CB 3.44Å
277	L	86.4	Confident	85.3	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.068	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-11.1	-176.3	-61.1	175.4	0	0	0	112.8	A238 I240 H264 A266 Y275 K279 L283 L286 V313	A238-L277 HydrophobicContact CB-CB 4.2Å; A238-L277 HydrophobicContact CB-CD1 3.84Å; A238-L277 HydrophobicContact CB-CD2 4.39Å; A238-L277 HydrophobicContact CB-CG 4.38Å; I240-L277 HydrophobicContact CG2-CD1 4.42Å; I240-L277 HydrophobicContact CG2-CD2 3.73Å; H264-L277 HydrophobicContact CB-CB 4.29Å; H264-L277 WeakPolarHBondContact CD2-CD1 3.39Å; H264-L277 WeakPolarHBondContact O-CB 3.38Å; H264-L277 PolarHBondContact O-N 3.12Å; A266-L277 HydrophobicContact CB-CD1 4.09Å; A266-L277 HydrophobicContact CB-CD2 3.88Å; A266-L277 HydrophobicContact CB-CG 4.17Å; Y275-L277 PolarHBondContact O-N 3.42Å; L277-K279 VanDerWaalsContact C-N 3.31Å; L277-L283 HydrophobicContact CD2-CD1 3.56Å; L277-L286 HydrophobicContact CD2-CD2 3.63Å; L277-V313 HydrophobicContact CD1-CG1 3.68Å
278	T	83.9	Confident	85.3	Confident	103 Å²	103	69.1 Å²	69.1	63%	0.632	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.3	175.2	69.2	0	0	0	0	112.5	H264 D276	H264-T278 HydrophobicContact CB-CG2 4.18Å; D276-T278 VanDerWaalsContact CG-OG1 3.25Å; D276-T278 PolarHBondContact O-N 3.32Å; D276-T278 WeakPolarHBondContact OD1-CB 3.34Å; D276-T278 PolarHBondContact OD1-N 2.86Å; D276-T278 PolarHBondContact OD1-OG1 2.75Å; D276-T278 PolarHBondContact OD2-OG1 3.15Å
279	K	86.1	Confident	85.4	Confident	97 Å²	97	71.3 Å²	71.3	42%	0.422	38%	0.376	S	S	.	.	S	Bend	trans	-100.3	121.8	-180	-63.4	-179.7	-156.7	145.1	0	111	D276 L277 S281 E282 L283	D276-K279 PolarHBondContact O-N 3.11Å; D276-K279 WeakPolarHBondContact OD2-CE 3.38Å; D276-K279 IonicContact OD2-NZ 3.25Å; D276-K279 PolarHBondContact OD2-NZ 3.42Å; L277-K279 VanDerWaalsContact C-N 3.31Å; K279-S281 PolarHBondContact O-N 3.01Å; K279-E282 HydrophobicContact CB-CB 4.3Å; K279-E282 HydrophobicContact CB-CG 4.28Å; K279-E282 HydrophobicContact CD-CG 4.41Å; K279-E282 WeakPolarHBondContact CD-OE1 3.42Å; K279-E282 IonicContact NZ-OE1 2.88Å; K279-E282 PolarHBondContact NZ-OE1 2.94Å; K279-E282 PolarHBondContact O-N 3.44Å; K279-E282 VanDerWaalsContact O-N 3.13Å; K279-L283 WeakPolarHBondContact O-CB 3.43Å; K279-L283 PolarHBondContact O-N 2.9Å
280	E	84.6	Confident	86.1	Confident	110 Å²	110	66.3 Å²	66.3	51%	0.514	36%	0.355	S	S	.	.	H	α-helix	trans	-60.6	-30.5	179.2	-169.4	57.6	-144.3	0	0	113.1	L283 A284 R287	E280-L283 PolarHBondContact O-N 3.46Å; E280-L283 WeakPolarHBondContact OE2-CD2 3.48Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.3Å; E280-A284 PolarHBondContact O-N 2.88Å; E280-R287 IonicContact OE1-CZ 2.69Å; E280-R287 IonicContact OE1-NH1 3.79Å; E280-R287 PolarHBondContact OE1-NH1 3.12Å; E280-R287 IonicContact OE1-NH2 3.4Å; E280-R287 PolarHBondContact OE1-NH2 3.44Å
281	S	86.9	Confident	86.6	Confident	83 Å²	83	63.5 Å²	63.5	58%	0.58	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-39.6	177.2	57.1	0	0	0	0	113	K279 S285	K279-S281 PolarHBondContact O-N 3.01Å; S281-S285 WeakPolarHBondContact O-CB 3.49Å; S281-S285 PolarHBondContact O-N 3.16Å; S281-S285 VanDerWaalsContact O-N 3.09Å; S281-S285 PolarHBondContact O-OG 2.88Å
282	E	88.4	Confident	87.2	Confident	43 Å²	43	67.5 Å²	67.5	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-75.8	-37.7	176.8	-67	-165.4	-141.9	0	0	110.8	D276 K279 S285 L286	D276-E282 WeakPolarHBondContact CB-OE2 3.44Å; D276-E282 PolarHBondContact N-OE2 3.29Å; D276-E282 VanDerWaalsContact O-CB 3.32Å; D276-E282 WeakPolarHBondContact O-CB 3.44Å; K279-E282 HydrophobicContact CB-CB 4.3Å; K279-E282 HydrophobicContact CB-CG 4.28Å; K279-E282 HydrophobicContact CD-CG 4.41Å; K279-E282 WeakPolarHBondContact CD-OE1 3.42Å; K279-E282 IonicContact NZ-OE1 2.88Å; K279-E282 PolarHBondContact NZ-OE1 2.94Å; K279-E282 PolarHBondContact O-N 3.44Å; K279-E282 VanDerWaalsContact O-N 3.13Å; E282-S285 CarbonylContact O-C 3.57Å; E282-S285 WeakPolarHBondContact O-CB 3.49Å; E282-S285 PolarHBondContact O-N 2.71Å; E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 PolarHBondContact O-N 3.01Å
283	L	86.7	Confident	87.8	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-45.1	172.7	-165	71.6	0	0	0	112	R239 I240 L277 K279 E280 S285 L286 R287	R239-L283 HydrophobicContact CB-CD2 4.11Å; R239-L283 WeakPolarHBondContact O-CG 3.39Å; I240-L283 HydrophobicContact CG2-CD1 4.12Å; L277-L283 HydrophobicContact CD2-CD1 3.56Å; K279-L283 WeakPolarHBondContact O-CB 3.43Å; K279-L283 PolarHBondContact O-N 2.9Å; E280-L283 PolarHBondContact O-N 3.46Å; E280-L283 WeakPolarHBondContact OE2-CD2 3.48Å; L283-S285 VanDerWaalsContact C-N 3.31Å; L283-S285 PolarHBondContact O-N 3.46Å; L283-L286 WeakPolarHBondContact O-CB 3.36Å; L283-L286 PolarHBondContact O-N 2.93Å; L283-R287 WeakPolarHBondContact O-CG 3.24Å; L283-R287 PolarHBondContact O-N 2.71Å
284	A	87.5	Confident	87.9	Confident	45 Å²	45	58.6 Å²	58.6	37%	0.372	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-37.9	173.9	0	0	0	0	0	112	E280 R287 K288	E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.3Å; E280-A284 PolarHBondContact O-N 2.88Å; A284-R287 PolarHBondContact O-N 2.85Å; A284-K288 WeakPolarHBondContact O-CB 3.24Å; A284-K288 PolarHBondContact O-N 3.17Å
285	S	88.8	Confident	87.8	Confident	50 Å²	50	57.7 Å²	57.7	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-41.5	174.3	-61.3	0	0	0	0	111.9	S281 E282 L283 K288 E289	S281-S285 WeakPolarHBondContact O-CB 3.49Å; S281-S285 PolarHBondContact O-N 3.16Å; S281-S285 VanDerWaalsContact O-N 3.09Å; S281-S285 PolarHBondContact O-OG 2.88Å; E282-S285 CarbonylContact O-C 3.57Å; E282-S285 WeakPolarHBondContact O-CB 3.49Å; E282-S285 PolarHBondContact O-N 2.71Å; L283-S285 VanDerWaalsContact C-N 3.31Å; L283-S285 PolarHBondContact O-N 3.46Å; S285-K288 PolarHBondContact O-N 3.28Å; S285-E289 WeakPolarHBondContact O-CB 3.46Å; S285-E289 PolarHBondContact O-N 2.83Å
286	L	90.2	Very high	87.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-46.4	175.7	177.8	64.6	0	0	0	111.2	I240 A266 F268 Y275 L277 E282 L283 K288 E289 I290 L311	I240-L286 HydrophobicContact CB-CD2 4.17Å; I240-L286 HydrophobicContact CG2-CD2 3.85Å; A266-L286 HydrophobicContact CB-CD2 3.69Å; F268-L286 HydrophobicContact CE2-CD1 3.71Å; F268-L286 HydrophobicContact CZ-CD1 3.87Å; Y275-L286 HydrophobicContact CD1-CB 3.88Å; Y275-L286 HydrophobicContact CD1-CD1 4.43Å; Y275-L286 HydrophobicContact CD2-CD1 3.88Å; Y275-L286 HydrophobicContact CE1-CB 4.33Å; Y275-L286 HydrophobicContact CE2-CD1 4.11Å; Y275-L286 HydrophobicContact CG-CB 4.09Å; Y275-L286 HydrophobicContact CG-CD1 4.06Å; L277-L286 HydrophobicContact CD2-CD2 3.63Å; E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 PolarHBondContact O-N 3.01Å; L283-L286 WeakPolarHBondContact O-CB 3.36Å; L283-L286 PolarHBondContact O-N 2.93Å; L286-K288 VanDerWaalsContact C-N 3.31Å; L286-K288 PolarHBondContact O-N 2.81Å; L286-E289 WeakPolarHBondContact O-CB 3.46Å; L286-E289 PolarHBondContact O-N 2.84Å; L286-I290 HydrophobicContact CD1-CD1 4.12Å; L286-I290 HydrophobicContact CD1-CG1 4.31Å; L286-I290 HydrophobicContact CG-CD1 3.95Å; L286-I290 WeakPolarHBondContact O-CG1 3.35Å; L286-I290 PolarHBondContact O-N 3.31Å; L286-L311 HydrophobicContact CD1-CD1 4.13Å
287	R	88.7	Confident	87.4	Confident	46 Å²	46	61.5 Å²	61.5	17%	0.174	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-45.6	175.4	-71.7	-179.8	-158.7	124.6	-0.3	111.6	R239 I240 E280 L283 A284 E289 I290 E291	R239-R287 VanDerWaalsContact CB-NH2 3.27Å; R239-R287 VanDerWaalsContact O-CZ 3.23Å; R239-R287 PolarHBondContact O-NE 3.22Å; R239-R287 PolarHBondContact O-NH2 3.43Å; I240-R287 WeakPolarHBondContact O-CG 3.47Å; E280-R287 IonicContact OE1-CZ 2.69Å; E280-R287 IonicContact OE1-NH1 3.79Å; E280-R287 PolarHBondContact OE1-NH1 3.12Å; E280-R287 IonicContact OE1-NH2 3.4Å; E280-R287 PolarHBondContact OE1-NH2 3.44Å; L283-R287 WeakPolarHBondContact O-CG 3.24Å; L283-R287 PolarHBondContact O-N 2.71Å; A284-R287 PolarHBondContact O-N 2.85Å; R287-E289 VanDerWaalsContact C-N 3.33Å; R287-E289 PolarHBondContact O-N 2.82Å; R287-I290 PolarHBondContact O-N 2.85Å; R287-E291 WeakPolarHBondContact O-CB 3.48Å; R287-E291 PolarHBondContact O-N 2.83Å
288	K	88.9	Confident	87.1	Confident	144 Å²	144	61.8 Å²	61.8	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-63	-39.9	178.5	-172	176.9	-179.1	179	0	111.7	A284 S285 L286 M292	A284-K288 WeakPolarHBondContact O-CB 3.24Å; A284-K288 PolarHBondContact O-N 3.17Å; S285-K288 PolarHBondContact O-N 3.28Å; L286-K288 VanDerWaalsContact C-N 3.31Å; L286-K288 PolarHBondContact O-N 2.81Å; K288-M292 VanDerWaalsContact O-CB 3.3Å; K288-M292 WeakPolarHBondContact O-CB 3.32Å; K288-M292 PolarHBondContact O-N 3.37Å
289	E	90	Very high	86.4	Confident	49 Å²	49	60.8 Å²	60.8	23%	0.229	32%	0.321	C	S	.	.	H	α-helix	trans	-66.5	-44.9	175.8	-177.2	67.2	-168.6	0	0	111.8	F268 S285 L286 R287 E291 M292 R293	F268-E289 HydrophobicContact CD2-CG 4.35Å; F268-E289 HydrophobicContact CE2-CB 4.2Å; F268-E289 HydrophobicContact CE2-CG 3.43Å; F268-E289 VanDerWaalsContact CE2-CG 3.43Å; F268-E289 HydrophobicContact CZ-CB 4.29Å; F268-E289 HydrophobicContact CZ-CG 3.69Å; S285-E289 WeakPolarHBondContact O-CB 3.46Å; S285-E289 PolarHBondContact O-N 2.83Å; L286-E289 WeakPolarHBondContact O-CB 3.46Å; L286-E289 PolarHBondContact O-N 2.84Å; R287-E289 VanDerWaalsContact C-N 3.33Å; R287-E289 PolarHBondContact O-N 2.82Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 3.36Å; E289-M292 PolarHBondContact O-N 2.83Å; E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 2.63Å; E289-R293 IonicContact OE1-CZ 3.29Å; E289-R293 IonicContact OE1-NE 3.19Å; E289-R293 PolarHBondContact OE1-NE 3.3Å; E289-R293 IonicContact OE1-NH2 3.9Å; E289-R293 PolarHBondContact OE1-NH2 3.25Å
290	I	89.5	Confident	85.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-46.9	175.2	-68.5	170.2	0	0	0	110.1	I240 F268 L286 R287 M292 R293 M294 L311	I240-I290 VanDerWaalsContact O-CD1 3.32Å; I240-I290 WeakPolarHBondContact O-CD1 3.28Å; F268-I290 HydrophobicContact CE1-CG1 4.01Å; F268-I290 HydrophobicContact CZ-CG1 3.65Å; L286-I290 HydrophobicContact CD1-CD1 4.12Å; L286-I290 HydrophobicContact CD1-CG1 4.31Å; L286-I290 HydrophobicContact CG-CD1 3.95Å; L286-I290 WeakPolarHBondContact O-CG1 3.35Å; L286-I290 PolarHBondContact O-N 3.31Å; R287-I290 PolarHBondContact O-N 2.85Å; I290-M292 VanDerWaalsContact C-N 3.33Å; I290-M292 PolarHBondContact O-N 2.8Å; I290-R293 PolarHBondContact O-N 3.4Å; I290-M294 VanDerWaalsContact O-CB 3.25Å; I290-M294 WeakPolarHBondContact O-CB 3.27Å; I290-M294 PolarHBondContact O-N 2.95Å; I290-L311 HydrophobicContact CD1-CD2 4.29Å
291	E	88.1	Confident	84.9	Confident	72 Å²	72	58 Å²	58	34%	0.336	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-40.3	178	-168.1	-171.4	154.1	0	0	111.9	P242 R287 E289 M294 K295	P242-E291 HydrophobicContact CB-CB 4.47Å; P242-E291 HydrophobicContact CG-CB 4.32Å; R287-E291 WeakPolarHBondContact O-CB 3.48Å; R287-E291 PolarHBondContact O-N 2.83Å; E289-E291 VanDerWaalsContact C-N 3.34Å; E289-E291 PolarHBondContact O-N 3.36Å; E291-M294 PolarHBondContact O-N 3.4Å; E291-K295 HydrophobicContact CG-CD 4.33Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.21Å; E291-K295 WeakPolarHBondContact OE1-CE 3.47Å; E291-K295 IonicContact OE1-NZ 3.39Å; E291-K295 PolarHBondContact OE1-NZ 3.01Å
292	M	88.6	Confident	84.5	Confident	109 Å²	109	60 Å²	60	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-47.5	176.5	-172.2	-174.8	-57.7	0	0	111.6	K288 E289 I290 M294 K295 A296	K288-M292 VanDerWaalsContact O-CB 3.3Å; K288-M292 WeakPolarHBondContact O-CB 3.32Å; K288-M292 PolarHBondContact O-N 3.37Å; E289-M292 PolarHBondContact O-N 2.83Å; I290-M292 VanDerWaalsContact C-N 3.33Å; I290-M292 PolarHBondContact O-N 2.8Å; M292-M294 VanDerWaalsContact C-N 3.33Å; M292-M294 PolarHBondContact O-N 3.48Å; M292-K295 PolarHBondContact O-N 3.31Å; M292-A296 WeakPolarHBondContact O-CB 2.9Å; M292-A296 PolarHBondContact O-N 2.9Å
293	R	89	Confident	84.1	Confident	69 Å²	69	58.7 Å²	58.7	26%	0.26	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-42.4	176.5	-72	179.8	-178.3	-133.6	0.6	111.6	E289 I290 K295 A296 L297 I309	E289-R293 WeakPolarHBondContact O-CG 3.34Å; E289-R293 PolarHBondContact O-N 2.63Å; E289-R293 IonicContact OE1-CZ 3.29Å; E289-R293 IonicContact OE1-NE 3.19Å; E289-R293 PolarHBondContact OE1-NE 3.3Å; E289-R293 IonicContact OE1-NH2 3.9Å; E289-R293 PolarHBondContact OE1-NH2 3.25Å; I290-R293 PolarHBondContact O-N 3.4Å; R293-K295 PolarHBondContact O-N 2.91Å; R293-A296 PolarHBondContact O-N 3.26Å; R293-L297 WeakPolarHBondContact O-CG 3.28Å; R293-L297 PolarHBondContact O-N 3.14Å; R293-I309 HydrophobicContact CB-CD1 4.1Å
294	M	87.2	Confident	84	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.049	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-48.6	174.9	-166.3	72.4	74.6	0	0	111.3	R251 S252 V254 I290 E291 M292 A296 L297 V298 I309	R251-M294 HydrophobicContact CB-CG 3.98Å; R251-M294 HydrophobicContact CB-SD 4.23Å; S252-M294 WeakPolarHBondContact CB-SD 3.25Å; S252-M294 PolarHBondContact N-SD 2.95Å; S252-M294 PolarHBondContact OG-SD 2.88Å; V254-M294 HydrophobicContact CG2-CE 3.53Å; I290-M294 VanDerWaalsContact O-CB 3.25Å; I290-M294 WeakPolarHBondContact O-CB 3.27Å; I290-M294 PolarHBondContact O-N 2.95Å; E291-M294 PolarHBondContact O-N 3.4Å; M292-M294 VanDerWaalsContact C-N 3.33Å; M292-M294 PolarHBondContact O-N 3.48Å; M294-A296 VanDerWaalsContact C-N 3.34Å; M294-A296 PolarHBondContact O-N 2.87Å; M294-L297 PolarHBondContact O-N 3.37Å; M294-V298 VanDerWaalsContact O-CG2 3.25Å; M294-V298 WeakPolarHBondContact O-CG2 3.32Å; M294-V298 PolarHBondContact O-N 3Å; M294-I309 HydrophobicContact CB-CD1 4.16Å; M294-I309 HydrophobicContact CE-CD1 3.79Å; M294-I309 HydrophobicContact SD-CD1 3.91Å
295	K	85	Confident	83.9	Confident	114 Å²	114	57 Å²	57	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-36.7	176.7	-76.6	172.8	172.3	171.4	0	112.7	E291 M292 R293 V298	E291-K295 HydrophobicContact CG-CD 4.33Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.21Å; E291-K295 WeakPolarHBondContact OE1-CE 3.47Å; E291-K295 IonicContact OE1-NZ 3.39Å; E291-K295 PolarHBondContact OE1-NZ 3.01Å; M292-K295 PolarHBondContact O-N 3.31Å; R293-K295 PolarHBondContact O-N 2.91Å; K295-V298 CarbonylContact O-C 3.41Å; K295-V298 PolarHBondContact O-N 3.4Å
296	A	86.5	Confident	83.7	Confident	68 Å²	68	58.4 Å²	58.4	56%	0.562	34%	0.335	S	S	*	.	H	α-helix	trans	-66.7	-40.8	178.3	0	0	0	0	0	112.6	M292 R293 M294 V298	M292-A296 WeakPolarHBondContact O-CB 2.9Å; M292-A296 PolarHBondContact O-N 2.9Å; R293-A296 PolarHBondContact O-N 3.26Å; M294-A296 VanDerWaalsContact C-N 3.34Å; M294-A296 PolarHBondContact O-N 2.87Å; A296-V298 VanDerWaalsContact C-N 3.26Å; A296-V298 PolarHBondContact O-N 3.08Å
297	L	84.8	Confident	83.5	Confident	56 Å²	56	62.4 Å²	62.4	29%	0.293	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-30.5	175.3	-67	174.7	0	0	0	112	R293 M294 S299 D307 I309	R293-L297 WeakPolarHBondContact O-CG 3.28Å; R293-L297 PolarHBondContact O-N 3.14Å; M294-L297 PolarHBondContact O-N 3.37Å; L297-S299 VanDerWaalsContact C-N 3.25Å; L297-S299 PolarHBondContact O-N 3.17Å; L297-S299 VanDerWaalsContact O-N 3.16Å; L297-D307 HydrophobicContact CD1-CB 4.1Å; L297-D307 HydrophobicContact CD2-CB 3.86Å; L297-D307 HydrophobicContact CG-CB 4.43Å; L297-I309 HydrophobicContact CD1-CD1 4.03Å; L297-I309 HydrophobicContact CD1-CG1 3.56Å
298	V	79.7	Confident	83.3	Confident	19 Å²	19	63 Å²	63	12%	0.115	37%	0.365	C	S	.	.	S	Bend	trans	-89.4	61.4	176.6	-174.9	0	0	0	0	109.4	R251 M294 K295 A296 K302	R251-V298 HydrophobicContact CB-CG2 3.97Å; M294-V298 VanDerWaalsContact O-CG2 3.25Å; M294-V298 WeakPolarHBondContact O-CG2 3.32Å; M294-V298 PolarHBondContact O-N 3Å; K295-V298 CarbonylContact O-C 3.41Å; K295-V298 PolarHBondContact O-N 3.4Å; A296-V298 VanDerWaalsContact C-N 3.26Å; A296-V298 PolarHBondContact O-N 3.08Å; V298-K302 WeakPolarHBondContact CG1-O 3.42Å
299	S	68.4	Low	83.3	Confident	82 Å²	82	56.5 Å²	56.5	57%	0.573	34%	0.337	S	S	*	.			trans	-97.3	157.7	174.7	59	0	0	0	0	111.7	L297	L297-S299 VanDerWaalsContact C-N 3.25Å; L297-S299 PolarHBondContact O-N 3.17Å; L297-S299 VanDerWaalsContact O-N 3.16Å
300	G	71.8	Confident	83.2	Confident	83 Å²	83	55.8 Å²	55.8	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	27.5	176.2	0	0	0	0	0	116	K302	G300-K302 PolarHBondContact O-N 3.43Å
301	G	69.1	Low	83.2	Confident	67 Å²	67	55.7 Å²	55.7	69%	0.691	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	3.2	177.1	0	0	0	0	0	114.9
302	K	77.4	Confident	83.2	Confident	124 Å²	124	54.3 Å²	54.3	54%	0.539	33%	0.332	S	S	.	.			trans	-66.5	150.9	169.7	-65.3	-177.8	179.4	178.7	0	110.3	V298 G300	V298-K302 WeakPolarHBondContact CG1-O 3.42Å; G300-K302 PolarHBondContact O-N 3.43Å
303	T	80.5	Confident	83.3	Confident	15 Å²	15	49.1 Å²	49.1	9%	0.092	31%	0.307	C	S	.	.	S	Bend	trans	-97.8	-25	176	-51.8	0	0	0	0	112.5	M248 M337 Q338 T341	M248-T303 HydrophobicContact CE-CG2 3.91Å; T303-M337 HydrophobicContact CG2-CB 4.17Å; T303-M337 HydrophobicContact CG2-CE 3.9Å; T303-M337 HydrophobicContact CG2-CG 3.97Å; T303-M337 WeakPolarHBondContact OG1-CA 3.44Å; T303-Q338 PolarHBondContact OG1-N 2.9Å; T303-T341 HydrophobicContact CG2-CG2 4.05Å
304	V	84.6	Confident	83.2	Confident	9 Å²	9	48.8 Å²	48.8	6%	0.055	31%	0.307	C	S	.	.			trans	-136.8	144.6	-178	173.3	0	0	0	0	109.3	M248 R251 P327 T341 T344 I345	M248-V304 HydrophobicContact CE-CG2 3.64Å; R251-V304 CarbonylContact O-C 3.07Å; R251-V304 WeakPolarHBondContact O-CA 3.4Å; R251-V304 VanDerWaalsContact O-CG1 3.28Å; R251-V304 WeakPolarHBondContact O-CG1 3.49Å; V304-P327 HydrophobicContact CG1-CG 4.1Å; V304-T341 HydrophobicContact CG2-CG2 3.72Å; V304-T344 HydrophobicContact CG1-CG2 4.4Å; V304-I345 HydrophobicContact CB-CG1 4.5Å; V304-I345 HydrophobicContact CG1-CG1 4.23Å; V304-I345 HydrophobicContact CG2-CD1 3.99Å; V304-I345 HydrophobicContact CG2-CG1 3.83Å
305	S	85.6	Confident	83.2	Confident	10 Å²	10	48.3 Å²	48.3	7%	0.07	31%	0.305	C	S	.	.			trans	-114.8	150.1	171.3	-178.3	0	0	0	0	111.4	R251 S252 P253 D307	R251-S305 PolarHBondContact O-N 3.38Å; S252-S305 WeakPolarHBondContact OG-CB 3.19Å; P253-S305 VanDerWaalsContact CD-O 3.27Å; P253-S305 WeakPolarHBondContact CD-O 3.37Å; S305-D307 VanDerWaalsContact C-N 3.32Å; S305-D307 PolarHBondContact OG-N 2.94Å; S305-D307 VanDerWaalsContact OG-N 3.13Å; S305-D307 PolarHBondContact OG-OD2 3.46Å
306	T	84.1	Confident	83.3	Confident	78 Å²	78	46.5 Å²	46.5	48%	0.479	31%	0.305	S	S	.	.			trans	-82.6	-12.8	172.4	52.3	0	0	0	0	112.5	V348	T306-V348 HydrophobicContact CG2-CG2 3.79Å
307	D	85.6	Confident	83.1	Confident	84 Å²	84	45.4 Å²	45.4	45%	0.449	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.7	138.4	-176.2	-59.3	-35	0	0	0	111.7	S252 L297 S305	S252-D307 WeakPolarHBondContact CB-O 3.19Å; L297-D307 HydrophobicContact CD1-CB 4.1Å; L297-D307 HydrophobicContact CD2-CB 3.86Å; L297-D307 HydrophobicContact CG-CB 4.43Å; S305-D307 VanDerWaalsContact C-N 3.32Å; S305-D307 PolarHBondContact OG-N 2.94Å; S305-D307 VanDerWaalsContact OG-N 3.13Å; S305-D307 PolarHBondContact OG-OD2 3.46Å
308	V	85.9	Confident	83.2	Confident	58 Å²	58	43 Å²	43	35%	0.352	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-95.8	132	-172.5	-169.1	0	0	0	0	111.5	P253 K255 Y352	P253-V308 HydrophobicContact CB-CG1 4.43Å; P253-V308 HydrophobicContact CB-CG2 4.28Å; P253-V308 WeakPolarHBondContact O-CA 3.38Å; K255-V308 HydrophobicContact CB-CG1 3.68Å; V308-Y352 WeakPolarHBondContact CG2-OH 3.39Å
309	I	88.4	Confident	83.6	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.9	167.2	-58.1	175	0	0	0	108.4	P253 V254 K255 F268 R293 M294 L297	P253-I309 PolarHBondContact O-N 3.13Å; V254-I309 CarbonylContact C-O 3.48Å; V254-I309 WeakPolarHBondContact CA-O 3.19Å; V254-I309 HydrophobicContact CG1-CB 4.41Å; V254-I309 HydrophobicContact CG2-CB 4.43Å; K255-I309 PolarHBondContact N-O 3.39Å; F268-I309 HydrophobicContact CD1-CG2 4.28Å; F268-I309 HydrophobicContact CE1-CG2 3.96Å; R293-I309 HydrophobicContact CB-CD1 4.1Å; M294-I309 HydrophobicContact CB-CD1 4.16Å; M294-I309 HydrophobicContact CE-CD1 3.79Å; M294-I309 HydrophobicContact SD-CD1 3.91Å; L297-I309 HydrophobicContact CD1-CD1 4.03Å; L297-I309 HydrophobicContact CD1-CG1 3.56Å
310	S	87.7	Confident	84.3	Confident	35 Å²	35	44.9 Å²	44.9	25%	0.245	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.1	178.5	-64.8	0	0	0	0	111.8	K255 K269	K255-S310 WeakPolarHBondContact O-CA 3.21Å; K269-S310 PolarHBondContact N-O 3.49Å
311	L	89	Confident	85	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.5	-179.4	-173.2	75.2	0	0	0	109.8	I240 K255 V256 T257 A266 F268 L286 I290 V313	I240-L311 HydrophobicContact CD1-CD2 3.74Å; K255-L311 PolarHBondContact O-N 2.94Å; V256-L311 CarbonylContact C-O 3.56Å; V256-L311 VanDerWaalsContact CA-O 3.32Å; V256-L311 WeakPolarHBondContact CA-O 3.35Å; V256-L311 HydrophobicContact CG2-CD2 4.42Å; T257-L311 PolarHBondContact N-O 3.04Å; A266-L311 HydrophobicContact CB-CD1 4.29Å; F268-L311 HydrophobicContact CD1-CD1 3.99Å; F268-L311 HydrophobicContact CE1-CD1 3.94Å; F268-L311 HydrophobicContact CE2-CD1 4.48Å; F268-L311 HydrophobicContact CG-CD1 4.32Å; F268-L311 HydrophobicContact CZ-CD1 4.21Å; L286-L311 HydrophobicContact CD1-CD1 4.13Å; I290-L311 HydrophobicContact CD1-CD2 4.29Å; L311-V313 HydrophobicContact CD2-CG2 3.88Å; L311-V313 HydrophobicContact CG-CG2 4.14Å
312	N	89	Confident	85.9	Confident	42 Å²	42	38 Å²	38	23%	0.225	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132	171.8	-66.3	-23.1	0	0	0	108.6	T257 A266 S267	T257-N312 VanDerWaalsContact CB-OD1 3.28Å; T257-N312 WeakPolarHBondContact CB-OD1 3.46Å; T257-N312 PolarHBondContact OG1-OD1 2.91Å; A266-N312 CarbonylContact C-O 3.59Å; A266-N312 WeakPolarHBondContact CA-O 3.35Å; S267-N312 PolarHBondContact N-O 3.37Å; S267-N312 PolarHBondContact O-N 3.38Å
313	V	90.1	Very high	86.5	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.2	178.3	176.8	0	0	0	0	108.1	I240 V256 T257 L258 S259 V265 A266 L277 L311 L318	I240-V313 HydrophobicContact CD1-CG2 4.34Å; V256-V313 HydrophobicContact CG1-CB 4.4Å; V256-V313 HydrophobicContact CG1-CG2 3.81Å; T257-V313 PolarHBondContact O-N 3.5Å; L258-V313 CarbonylContact C-O 3.57Å; L258-V313 WeakPolarHBondContact CA-O 3.39Å; L258-V313 HydrophobicContact CD2-CB 3.89Å; L258-V313 HydrophobicContact CD2-CG1 4.2Å; S259-V313 PolarHBondContact N-O 2.72Å; V265-V313 CarbonylContact O-C 3.59Å; V265-V313 WeakPolarHBondContact O-CA 3.38Å; A266-V313 HydrophobicContact CB-CG2 4.07Å; L277-V313 HydrophobicContact CD1-CG1 3.68Å; L311-V313 HydrophobicContact CD2-CG2 3.88Å; L311-V313 HydrophobicContact CG-CG2 4.14Å; V313-L318 HydrophobicContact CG1-CD1 3.88Å
314	K	87.7	Confident	87	Confident	63 Å²	63	31.5 Å²	31.5	27%	0.274	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.1	176.1	-45.2	-150.7	164.1	-173.7	0	108.7	D193 S259 Y263 H264 V265	D193-K314 VanDerWaalsContact CG-NZ 3.3Å; D193-K314 IonicContact OD1-NZ 2.74Å; D193-K314 PolarHBondContact OD1-NZ 3.29Å; D193-K314 IonicContact OD2-NZ 2.8Å; D193-K314 PolarHBondContact OD2-NZ 3.44Å; S259-K314 CarbonylContact O-C 3.6Å; S259-K314 VanDerWaalsContact O-CA 3.25Å; S259-K314 WeakPolarHBondContact O-CA 2.93Å; S259-K314 WeakPolarHBondContact OG-CD 3.42Å; S259-K314 WeakPolarHBondContact OG-CG 3.38Å; Y263-K314 CarbonylContact O-C 3.57Å; H264-K314 CarbonylContact C-O 3.55Å; H264-K314 WeakPolarHBondContact CA-O 3.41Å; H264-K314 PolarHBondContact CD2-O 3.2Å; V265-K314 HydrophobicContact CG2-CB 3.98Å; V265-K314 HydrophobicContact CG2-CG 4.38Å; V265-K314 PolarHBondContact N-O 2.89Å; V265-K314 PolarHBondContact O-N 2.86Å
315	G	87.1	Confident	87.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	162.8	177.8	0	0	0	0	0	114.4	S259 E260 G261	S259-G315 PolarHBondContact O-N 2.8Å; E260-G315 WeakPolarHBondContact CA-O 3.32Å; G261-G315 PolarHBondContact N-O 3.48Å; G261-G315 CarbonylContact O-C 3.59Å
316	P	86.3	Confident	87.7	Confident	75 Å²	75	30.7 Å²	30.7	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	135.1	-177.5	28.1	-33.8	0	0	0	110.9	G261 L318	G261-P316 WeakPolarHBondContact O-CA 3.39Å; P316-L318 PolarHBondContact O-N 2.61Å; P316-L318 VanDerWaalsContact O-N 3.17Å
317	G	83.1	Confident	87.9	Confident	46 Å²	46	27.2 Å²	27.2	47%	0.474	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	5.6	178.6	0	0	0	0	0	115.4	Q319	G317-Q319 PolarHBondContact O-N 3.1Å
318	L	86.9	Confident	88.1	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.021	14%	0.137	C	C	.	.			trans	-69.3	128.2	173.6	-65.9	-173.4	0	0	0	110.5	A236 Q237 V313 P316 R320	A236-L318 WeakPolarHBondContact O-CD2 2.83Å; Q237-L318 HydrophobicContact CB-CD2 3.88Å; Q237-L318 HydrophobicContact CG-CD2 3.59Å; V313-L318 HydrophobicContact CG1-CD1 3.88Å; P316-L318 PolarHBondContact O-N 2.61Å; P316-L318 VanDerWaalsContact O-N 3.17Å; L318-R320 PolarHBondContact O-N 2.74Å
319	Q	86.5	Confident	88.3	Confident	71 Å²	71	21 Å²	21	33%	0.332	12%	0.121	S	C	.	.			trans	-69.9	128.9	172.7	-67.6	-61	-40.4	0	0	109.6	G317 M321 S476	G317-Q319 PolarHBondContact O-N 3.1Å; Q319-M321 HydrophobicContact CB-CE 3.55Å; Q319-M321 PolarHBondContact O-N 2.67Å; Q319-S476 PolarHBondContact OE1-OG 3.39Å
320	R	83.3	Confident	88.2	Confident	71 Å²	71	20.9 Å²	20.9	27%	0.268	12%	0.12	S	C	.	.			trans	-71.3	108.7	-173.8	-65.9	-169.5	-169.2	160.7	2.1	110.5	I192 L258 E260 L318 W480	I192-R320 VanDerWaalsContact CD1-CA 3.42Å; I192-R320 HydrophobicContact CD1-CB 3.2Å; I192-R320 HydrophobicContact CD1-CG 3.48Å; I192-R320 VanDerWaalsContact CD1-CG 3.48Å; I192-R320 HydrophobicContact CG1-CB 3.86Å; I192-R320 HydrophobicContact CG1-CG 4.33Å; L258-R320 WeakPolarHBondContact O-CA 3.44Å; E260-R320 HydrophobicContact CB-CG 4.39Å; E260-R320 IonicContact OE2-CZ 2.72Å; E260-R320 IonicContact OE2-NE 3.95Å; E260-R320 PolarHBondContact OE2-NE 2.72Å; E260-R320 IonicContact OE2-NH2 3.87Å; E260-R320 PolarHBondContact OE2-NH2 3.26Å; L318-R320 PolarHBondContact O-N 2.74Å; R320-W480 HydrophobicContact CB-CZ2 3.75Å; R320-W480 PolarHBondContact O-NE1 3.4Å
321	M	87.2	Confident	87.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	166.6	178.5	65.9	-177.1	84.3	0	0	113.2	I235 L258 Q319 L323 S472 V475 S476 F479	I235-M321 HydrophobicContact CG2-CE 4.38Å; I235-M321 HydrophobicContact CG2-SD 4.36Å; L258-M321 HydrophobicContact CD1-CG 4.11Å; L258-M321 PolarHBondContact N-O 2.74Å; L258-M321 PolarHBondContact O-N 2.83Å; L258-M321 VanDerWaalsContact O-N 3.12Å; Q319-M321 HydrophobicContact CB-CE 3.55Å; Q319-M321 PolarHBondContact O-N 2.67Å; M321-L323 HydrophobicContact CG-CD2 3.96Å; M321-L323 HydrophobicContact CG-CG 4.03Å; M321-L323 HydrophobicContact SD-CD1 4.39Å; M321-L323 HydrophobicContact SD-CD2 3.44Å; M321-L323 WeakPolarHBondContact SD-CD2 3.5Å; M321-L323 HydrophobicContact SD-CG 4.04Å; M321-S472 WeakPolarHBondContact CE-O 3.41Å; M321-V475 HydrophobicContact CE-CG1 4.35Å; M321-V475 HydrophobicContact SD-CG1 3.78Å; M321-S476 VanDerWaalsContact CE-CB 3.43Å; M321-F479 HydrophobicContact CB-CD1 3.86Å; M321-F479 HydrophobicContact CB-CE1 4.16Å; M321-F479 HydrophobicContact CB-CG 4.1Å
322	V	87.5	Confident	87.4	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	172.4	-179.3	0	0	0	0	109.6	Y195 V218 K255 T257 F479	Y195-V322 HydrophobicContact CE1-CG2 4.32Å; V218-V322 PolarHBondContact N-O 2.64Å; K255-V322 HydrophobicContact CD-CG1 4.29Å; K255-V322 HydrophobicContact CG-CG1 3.92Å; T257-V322 HydrophobicContact CG2-CG2 4.28Å; V322-F479 HydrophobicContact CB-CE2 4.38Å; V322-F479 HydrophobicContact CB-CZ 4.26Å; V322-F479 HydrophobicContact CG2-CZ 4.24Å
323	L	90.5	Very high	87	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.5	176.9	-58.8	179.7	0	0	0	110.1	V218 L232 I235 K255 V256 L258 M321	V218-L323 HydrophobicContact CB-CD2 3.57Å; V218-L323 HydrophobicContact CG1-CD2 3.72Å; V218-L323 HydrophobicContact CG2-CD2 4.05Å; V218-L323 CarbonylContact O-C 3.54Å; V218-L323 WeakPolarHBondContact O-CA 3.2Å; L232-L323 HydrophobicContact CD1-CB 3.92Å; L232-L323 HydrophobicContact CD1-CD1 4.31Å; L232-L323 HydrophobicContact CD2-CD1 4.19Å; L232-L323 HydrophobicContact CG-CB 4.31Å; L232-L323 HydrophobicContact CG-CD1 3.78Å; I235-L323 HydrophobicContact CB-CD1 4.19Å; I235-L323 HydrophobicContact CD1-CD1 4.33Å; I235-L323 HydrophobicContact CG2-CD1 3.86Å; K255-L323 CarbonylContact C-O 3.6Å; K255-L323 WeakPolarHBondContact CA-O 3.4Å; V256-L323 PolarHBondContact N-O 3.02Å; V256-L323 PolarHBondContact O-N 3.02Å; L258-L323 HydrophobicContact CD1-CD1 3.63Å; L258-L323 HydrophobicContact CD1-CG 4.24Å; L258-L323 HydrophobicContact CG-CD1 4.41Å; M321-L323 HydrophobicContact CG-CD2 3.96Å; M321-L323 HydrophobicContact CG-CG 4.03Å; M321-L323 HydrophobicContact SD-CD1 4.39Å; M321-L323 HydrophobicContact SD-CD2 3.44Å; M321-L323 WeakPolarHBondContact SD-CD2 3.5Å; M321-L323 HydrophobicContact SD-CG 4.04Å
324	V	90.8	Very high	86.6	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111	172.7	-175.5	0	0	0	0	108.2	V218 V220 P253 V254 K255 L326 Y352	V218-V324 PolarHBondContact O-N 3.48Å; V220-V324 PolarHBondContact N-O 2.72Å; P253-V324 HydrophobicContact CB-CG1 4.43Å; V254-V324 CarbonylContact O-C 3.55Å; V254-V324 WeakPolarHBondContact O-CA 3.35Å; K255-V324 HydrophobicContact CB-CG2 4.46Å; K255-V324 HydrophobicContact CG-CG2 4.45Å; V324-L326 HydrophobicContact CG1-CD2 3.75Å; V324-L326 HydrophobicContact CG1-CG 4.44Å; V324-Y352 HydrophobicContact CG1-CD1 4.07Å; V324-Y352 HydrophobicContact CG1-CE1 3.84Å
325	D	92.7	Very high	86.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.1	170.2	-164.5	22.7	0	0	0	109	T229 L232 T250 P253 V254	T229-D325 PolarHBondContact OG1-OD2 3.42Å; L232-D325 HydrophobicContact CD1-CB 3.8Å; T250-D325 PolarHBondContact OG1-OD2 3.18Å; P253-D325 WeakPolarHBondContact CA-O 3.21Å; V254-D325 HydrophobicContact CB-CB 4.5Å; V254-D325 PolarHBondContact N-O 2.79Å; V254-D325 PolarHBondContact O-N 2.79Å
326	L	92	Very high	85.4	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	26%	0.264	C	S	.	.			trans	-105.6	151.3	176.2	-62.4	-173.2	0	0	0	111	V219 V220 V221 K228 P253 V324 G328 V348 A349 Y352	V219-L326 HydrophobicContact CG1-CD1 3.32Å; V219-L326 HydrophobicContact CG1-CG 3.87Å; V220-L326 PolarHBondContact O-N 3.3Å; V221-L326 HydrophobicContact CG1-CD1 3.95Å; K228-L326 VanDerWaalsContact CE-O 3.29Å; K228-L326 WeakPolarHBondContact CE-O 3.46Å; P253-L326 HydrophobicContact CB-CD2 3.89Å; P253-L326 HydrophobicContact CG-CD2 4.05Å; V324-L326 HydrophobicContact CG1-CD2 3.75Å; V324-L326 HydrophobicContact CG1-CG 4.44Å; L326-G328 PolarHBondContact O-N 3.24Å; L326-V348 HydrophobicContact CD2-CG1 4.24Å; L326-A349 HydrophobicContact CD1-CB 4.34Å; L326-Y352 HydrophobicContact CD1-CG 4.31Å; L326-Y352 HydrophobicContact CD2-CD1 4.45Å; L326-Y352 HydrophobicContact CD2-CD2 3.96Å; L326-Y352 HydrophobicContact CD2-CE2 4.22Å; L326-Y352 HydrophobicContact CD2-CG 4.08Å
327	P	89.7	Confident	85	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.032	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-49.7	138.3	169.9	-26.6	35	0	0	0	111.6	V304 I345	V304-P327 HydrophobicContact CG1-CG 4.1Å; P327-I345 HydrophobicContact CB-CG1 4.15Å; P327-I345 HydrophobicContact CB-CG2 4.28Å
328	G	89.4	Confident	84.8	Confident	6 Å²	6	41 Å²	41	6%	0.062	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-67.5	138.7	-179	0	0	0	0	0	112.4	G222 L326 I330	G222-G328 WeakPolarHBondContact O-CA 3.42Å; L326-G328 PolarHBondContact O-N 3.24Å; G328-I330 PolarHBondContact O-N 2.79Å
329	I	89.6	Confident	84.4	Confident	6 Å²	6	45.9 Å²	45.9	3%	0.031	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-66.6	125	178.5	-57.2	172.9	0	0	0	108.7	G222 D223 Q224 N374 V375 L378	G222-I329 PolarHBondContact O-N 2.99Å; G222-I329 VanDerWaalsContact O-N 3.09Å; D223-I329 WeakPolarHBondContact CA-O 3.3Å; Q224-I329 PolarHBondContact N-O 3.22Å; I329-N374 HydrophobicContact CG2-CB 4.07Å; I329-V375 HydrophobicContact CD1-CB 3.85Å; I329-V375 HydrophobicContact CD1-CG2 3.94Å; I329-L378 HydrophobicContact CD1-CD2 3.61Å
330	I	86.1	Confident	84.3	Confident	4 Å²	4	44 Å²	44	2%	0.021	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-101.2	141.9	177.9	64.6	-178.7	0	0	0	110.3	Q224 G328 V333 M337 T341 R342 I345	Q224-I330 HydrophobicContact CB-CG2 4.27Å; G328-I330 PolarHBondContact O-N 2.79Å; I330-V333 HydrophobicContact CD1-CG2 4.37Å; I330-M337 HydrophobicContact CD1-CE 3.33Å; I330-M337 HydrophobicContact CD1-SD 4.25Å; I330-T341 HydrophobicContact CD1-CG2 4.21Å; I330-R342 HydrophobicContact CD1-CB 4.2Å; I330-R342 HydrophobicContact CG1-CB 4.02Å; I330-R342 HydrophobicContact CG1-CG 4.27Å; I330-I345 HydrophobicContact CD1-CD1 3.95Å; I330-I345 HydrophobicContact CG1-CD1 4.11Å; I330-I345 HydrophobicContact CG2-CD1 4.33Å
331	S	79.4	Confident	84.4	Confident	69 Å²	69	40.7 Å²	40.7	48%	0.483	27%	0.269	S	S	.	.	S	Bend	trans	-87.2	-36.4	173.5	53.6	0	0	0	0	112.2
332	T	81.2	Confident	84.3	Confident	100 Å²	100	44.8 Å²	44.8	61%	0.613	29%	0.285	S	S	*	.	S	Bend	trans	-131.3	138	-174.9	55.2	0	0	0	0	111.3
333	V	81.1	Confident	84.4	Confident	65 Å²	65	49 Å²	49	39%	0.394	30%	0.304	S	S	.	.			trans	-87.3	129.5	175.6	-176.6	0	0	0	0	108.9	I330 M337 R342	I330-V333 HydrophobicContact CD1-CG2 4.37Å; V333-M337 HydrophobicContact CG1-CB 3.58Å; V333-M337 HydrophobicContact CG1-SD 4.47Å; V333-R342 HydrophobicContact CG2-CB 4.16Å
334	T	80.2	Confident	84.3	Confident	86 Å²	86	51.4 Å²	51.4	53%	0.528	32%	0.319	S	S	.	.			trans	-91.6	164.9	178.6	62.2	0	0	0	0	111.6	G336 M337	T334-G336 PolarHBondContact O-N 3.17Å; T334-M337 PolarHBondContact O-N 3.15Å; T334-M337 WeakPolarHBondContact OG1-CG 3.34Å; T334-M337 PolarHBondContact OG1-SD 2.74Å
335	T	77.6	Confident	84.3	Confident	165 Å²	165	51.4 Å²	51.4	100%	1.012	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16	-176.1	49.6	0	0	0	0	115
336	G	71.5	Confident	84.1	Confident	71 Å²	71	53.5 Å²	53.5	73%	0.732	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.3	175.9	0	0	0	0	0	115.4	T334	T334-G336 PolarHBondContact O-N 3.17Å
337	M	79.4	Confident	84	Confident	38 Å²	38	58 Å²	58	19%	0.187	35%	0.352	C	S	.	.	S	Bend	trans	-108.1	149.2	-174.7	-58.2	178.6	74.4	0	0	111.5	T303 I330 V333 T334 T341	T303-M337 HydrophobicContact CG2-CB 4.17Å; T303-M337 HydrophobicContact CG2-CE 3.9Å; T303-M337 HydrophobicContact CG2-CG 3.97Å; T303-M337 WeakPolarHBondContact OG1-CA 3.44Å; I330-M337 HydrophobicContact CD1-CE 3.33Å; I330-M337 HydrophobicContact CD1-SD 4.25Å; V333-M337 HydrophobicContact CG1-CB 3.58Å; V333-M337 HydrophobicContact CG1-SD 4.47Å; T334-M337 PolarHBondContact O-N 3.15Å; T334-M337 WeakPolarHBondContact OG1-CG 3.34Å; T334-M337 PolarHBondContact OG1-SD 2.74Å; M337-T341 HydrophobicContact CE-CG2 3.46Å; M337-T341 VanDerWaalsContact CE-CG2 3.46Å
338	Q	79.3	Confident	84	Confident	89 Å²	89	57.9 Å²	57.9	42%	0.416	35%	0.352	S	S	.	.			trans	-65.6	143	175.8	-167.8	-170.8	-8	0	0	110.7	T303 G340 T341	T303-Q338 PolarHBondContact OG1-N 2.9Å; Q338-G340 PolarHBondContact O-N 3.38Å; Q338-T341 PolarHBondContact N-OG1 2.82Å; Q338-T341 WeakPolarHBondContact O-CB 3.44Å; Q338-T341 PolarHBondContact O-N 2.93Å; Q338-T341 PolarHBondContact O-OG1 3.25Å
339	S	78.1	Confident	84	Confident	108 Å²	108	57.7 Å²	57.7	76%	0.755	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	128.6	165.6	49.3	0	0	0	0	109.8
340	G	83.5	Confident	84.1	Confident	30 Å²	30	62.3 Å²	62.3	31%	0.309	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-3.4	-175.7	0	0	0	0	0	115.5	Q338 R342 E343 T344	Q338-G340 PolarHBondContact O-N 3.38Å; G340-R342 VanDerWaalsContact C-N 3.27Å; G340-R342 PolarHBondContact O-N 3.01Å; G340-E343 VanDerWaalsContact C-OE2 3.23Å; G340-E343 WeakPolarHBondContact CA-OE2 3.21Å; G340-E343 PolarHBondContact O-N 3.37Å; G340-T344 PolarHBondContact O-N 3.14Å; G340-T344 PolarHBondContact O-OG1 3.43Å; G340-T344 VanDerWaalsContact O-OG1 3.08Å
341	T	85.7	Confident	84.1	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.018	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-35.5	-176.8	-58	0	0	0	0	112.7	T303 V304 I330 M337 Q338 I345	T303-T341 HydrophobicContact CG2-CG2 4.05Å; V304-T341 HydrophobicContact CG2-CG2 3.72Å; I330-T341 HydrophobicContact CD1-CG2 4.21Å; M337-T341 HydrophobicContact CE-CG2 3.46Å; M337-T341 VanDerWaalsContact CE-CG2 3.46Å; Q338-T341 PolarHBondContact N-OG1 2.82Å; Q338-T341 WeakPolarHBondContact O-CB 3.44Å; Q338-T341 PolarHBondContact O-N 2.93Å; Q338-T341 PolarHBondContact O-OG1 3.25Å; T341-I345 HydrophobicContact CG2-CD1 3.94Å; T341-I345 HydrophobicContact CG2-CG1 4.42Å; T341-I345 VanDerWaalsContact O-CG1 3.27Å; T341-I345 WeakPolarHBondContact O-CG1 3.43Å; T341-I345 PolarHBondContact O-N 2.91Å
342	R	86	Confident	84.5	Confident	86 Å²	86	65.5 Å²	65.5	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-47	178.2	177	-176.3	177.2	-171.9	0.8	110.6	I330 V333 G340 I345 Q346	I330-R342 HydrophobicContact CD1-CB 4.2Å; I330-R342 HydrophobicContact CG1-CB 4.02Å; I330-R342 HydrophobicContact CG1-CG 4.27Å; V333-R342 HydrophobicContact CG2-CB 4.16Å; G340-R342 VanDerWaalsContact C-N 3.27Å; G340-R342 PolarHBondContact O-N 3.01Å; R342-I345 PolarHBondContact O-N 3.45Å; R342-Q346 WeakPolarHBondContact O-CG 3.26Å; R342-Q346 PolarHBondContact O-N 2.9Å
343	E	88.6	Confident	84.9	Confident	91 Å²	91	60.7 Å²	60.7	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-47.7	179.5	-64.7	67.1	-148.4	0	0	109.8	G340 I345 Q346 D347	G340-E343 VanDerWaalsContact C-OE2 3.23Å; G340-E343 WeakPolarHBondContact CA-OE2 3.21Å; G340-E343 PolarHBondContact O-N 3.37Å; E343-I345 VanDerWaalsContact C-N 3.33Å; E343-I345 PolarHBondContact O-N 3.42Å; E343-Q346 CarbonylContact O-C 3.54Å; E343-Q346 WeakPolarHBondContact O-CA 3.42Å; E343-Q346 WeakPolarHBondContact O-CB 3.16Å; E343-Q346 PolarHBondContact O-N 2.81Å; E343-D347 WeakPolarHBondContact O-CB 3.42Å; E343-D347 VanDerWaalsContact O-CG 3.23Å; E343-D347 PolarHBondContact O-N 2.89Å
344	T	88.8	Confident	85.1	Confident	52 Å²	52	61.2 Å²	61.2	32%	0.319	35%	0.35	S	S	.	.	H	α-helix	trans	-57	-43.1	176	-55.5	0	0	0	0	112.6	V304 G340 D347 V348	V304-T344 HydrophobicContact CG1-CG2 4.4Å; G340-T344 PolarHBondContact O-N 3.14Å; G340-T344 PolarHBondContact O-OG1 3.43Å; G340-T344 VanDerWaalsContact O-OG1 3.08Å; T344-D347 PolarHBondContact O-N 3.43Å; T344-V348 WeakPolarHBondContact O-CB 3.21Å; T344-V348 VanDerWaalsContact O-CG2 3.28Å; T344-V348 WeakPolarHBondContact O-CG2 3.39Å; T344-V348 PolarHBondContact O-N 2.99Å
345	I	89.5	Confident	85.3	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-42.9	176.8	-68.4	166.6	0	0	0	110.6	M248 V304 P327 I330 T341 R342 E343 A349	M248-I345 HydrophobicContact SD-CD1 4.36Å; V304-I345 HydrophobicContact CB-CG1 4.5Å; V304-I345 HydrophobicContact CG1-CG1 4.23Å; V304-I345 HydrophobicContact CG2-CD1 3.99Å; V304-I345 HydrophobicContact CG2-CG1 3.83Å; P327-I345 HydrophobicContact CB-CG1 4.15Å; P327-I345 HydrophobicContact CB-CG2 4.28Å; I330-I345 HydrophobicContact CD1-CD1 3.95Å; I330-I345 HydrophobicContact CG1-CD1 4.11Å; I330-I345 HydrophobicContact CG2-CD1 4.33Å; T341-I345 HydrophobicContact CG2-CD1 3.94Å; T341-I345 HydrophobicContact CG2-CG1 4.42Å; T341-I345 VanDerWaalsContact O-CG1 3.27Å; T341-I345 WeakPolarHBondContact O-CG1 3.43Å; T341-I345 PolarHBondContact O-N 2.91Å; R342-I345 PolarHBondContact O-N 3.45Å; E343-I345 VanDerWaalsContact C-N 3.33Å; E343-I345 PolarHBondContact O-N 3.42Å; I345-A349 VanDerWaalsContact O-CB 3.32Å; I345-A349 WeakPolarHBondContact O-CB 3.38Å; I345-A349 PolarHBondContact O-N 3.06Å
346	Q	90.1	Very high	85.5	Confident	44 Å²	44	53.8 Å²	53.8	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-39.6	177.1	-72.1	-176.3	4.6	0	0	111.8	R342 E343 A349 R350	R342-Q346 WeakPolarHBondContact O-CG 3.26Å; R342-Q346 PolarHBondContact O-N 2.9Å; E343-Q346 CarbonylContact O-C 3.54Å; E343-Q346 WeakPolarHBondContact O-CA 3.42Å; E343-Q346 WeakPolarHBondContact O-CB 3.16Å; E343-Q346 PolarHBondContact O-N 2.81Å; Q346-A349 PolarHBondContact O-N 3.36Å; Q346-R350 WeakPolarHBondContact O-CB 3.41Å; Q346-R350 VanDerWaalsContact O-CG 3.26Å; Q346-R350 WeakPolarHBondContact O-CG 3.17Å; Q346-R350 PolarHBondContact O-N 3.21Å
347	D	89.7	Confident	86	Confident	96 Å²	96	52.2 Å²	52.2	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-45.1	178.7	-69.7	-21.2	0	0	0	111.2	E343 T344 A349 R350 Q351	E343-D347 WeakPolarHBondContact O-CB 3.42Å; E343-D347 VanDerWaalsContact O-CG 3.23Å; E343-D347 PolarHBondContact O-N 2.89Å; T344-D347 PolarHBondContact O-N 3.43Å; D347-A349 PolarHBondContact O-N 2.83Å; D347-R350 PolarHBondContact O-N 3.5Å; D347-Q351 WeakPolarHBondContact O-CB 3.25Å; D347-Q351 PolarHBondContact O-N 3.48Å
348	V	89.5	Confident	86.4	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-49.6	172.1	170.5	0	0	0	0	109.9	P253 T306 L326 T344 R350 Q351 Y352	P253-V348 HydrophobicContact CG-CG1 3.87Å; T306-V348 HydrophobicContact CG2-CG2 3.79Å; L326-V348 HydrophobicContact CD2-CG1 4.24Å; T344-V348 WeakPolarHBondContact O-CB 3.21Å; T344-V348 VanDerWaalsContact O-CG2 3.28Å; T344-V348 WeakPolarHBondContact O-CG2 3.39Å; T344-V348 PolarHBondContact O-N 2.99Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 2.99Å; V348-Q351 PolarHBondContact O-N 3.41Å; V348-Y352 HydrophobicContact CG1-CD2 4.05Å; V348-Y352 HydrophobicContact CG1-CE2 4.1Å; V348-Y352 VanDerWaalsContact O-CD2 3.31Å; V348-Y352 WeakPolarHBondContact O-CD2 3.38Å; V348-Y352 PolarHBondContact O-N 3.36Å; V348-Y352 VanDerWaalsContact O-N 3.1Å
349	A	89.9	Confident	86.9	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-44.5	178.2	0	0	0	0	0	112	L326 I345 Q346 D347 Y352 M353 L378	L326-A349 HydrophobicContact CD1-CB 4.34Å; I345-A349 VanDerWaalsContact O-CB 3.32Å; I345-A349 WeakPolarHBondContact O-CB 3.38Å; I345-A349 PolarHBondContact O-N 3.06Å; Q346-A349 PolarHBondContact O-N 3.36Å; D347-A349 PolarHBondContact O-N 2.83Å; A349-Y352 PolarHBondContact O-N 2.97Å; A349-M353 HydrophobicContact CB-CE 3.9Å; A349-M353 VanDerWaalsContact O-CB 3.29Å; A349-M353 WeakPolarHBondContact O-CB 3.5Å; A349-M353 WeakPolarHBondContact O-CE 3.38Å; A349-M353 VanDerWaalsContact O-CG 3.25Å; A349-M353 WeakPolarHBondContact O-CG 3.46Å; A349-M353 PolarHBondContact O-N 3.27Å; A349-L378 HydrophobicContact CB-CD2 3.99Å
350	R	90	Very high	87.7	Confident	102 Å²	102	41 Å²	41	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-43.6	176.7	-76.8	-179.1	-169.1	-78.2	0.4	111.8	Q346 D347 V348 Y352 M353 S354 L378 S381	Q346-R350 WeakPolarHBondContact O-CB 3.41Å; Q346-R350 VanDerWaalsContact O-CG 3.26Å; Q346-R350 WeakPolarHBondContact O-CG 3.17Å; Q346-R350 PolarHBondContact O-N 3.21Å; D347-R350 PolarHBondContact O-N 3.5Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 2.99Å; R350-Y352 PolarHBondContact O-N 3.43Å; R350-M353 PolarHBondContact O-N 2.94Å; R350-S354 VanDerWaalsContact O-CB 3.23Å; R350-S354 WeakPolarHBondContact O-CB 3.16Å; R350-S354 PolarHBondContact O-N 2.82Å; R350-S354 PolarHBondContact O-OG 3.35Å; R350-L378 HydrophobicContact CG-CD1 3.83Å; R350-S381 PolarHBondContact NH1-OG 2.88Å; R350-S381 VanDerWaalsContact NH1-OG 3.17Å
351	Q	87.7	Confident	88.2	Confident	116 Å²	116	39.6 Å²	39.6	54%	0.542	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-44.5	179.2	-176.8	-174.7	0.3	0	0	111.9	D347 V348 S354	D347-Q351 WeakPolarHBondContact O-CB 3.25Å; D347-Q351 PolarHBondContact O-N 3.48Å; V348-Q351 PolarHBondContact O-N 3.41Å; Q351-S354 PolarHBondContact O-OG 3.25Å
352	Y	87.7	Confident	88.5	Confident	24 Å²	24	39.5 Å²	39.5	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-72.2	-35.4	177.5	-82.8	-93.9	0	0	0	112.4	R217 V219 P253 V308 V324 L326 V348 A349 R350	R217-Y352 VanDerWaalsContact NH1-CE1 3.33Å; V219-Y352 HydrophobicContact CG2-CD1 4.45Å; P253-Y352 HydrophobicContact CB-CE2 4.43Å; P253-Y352 HydrophobicContact CG-CE2 4.13Å; V308-Y352 WeakPolarHBondContact CG2-OH 3.39Å; V324-Y352 HydrophobicContact CG1-CD1 4.07Å; V324-Y352 HydrophobicContact CG1-CE1 3.84Å; L326-Y352 HydrophobicContact CD1-CG 4.31Å; L326-Y352 HydrophobicContact CD2-CD1 4.45Å; L326-Y352 HydrophobicContact CD2-CD2 3.96Å; L326-Y352 HydrophobicContact CD2-CE2 4.22Å; L326-Y352 HydrophobicContact CD2-CG 4.08Å; V348-Y352 HydrophobicContact CG1-CD2 4.05Å; V348-Y352 HydrophobicContact CG1-CE2 4.1Å; V348-Y352 VanDerWaalsContact O-CD2 3.31Å; V348-Y352 WeakPolarHBondContact O-CD2 3.38Å; V348-Y352 PolarHBondContact O-N 3.36Å; V348-Y352 VanDerWaalsContact O-N 3.1Å; A349-Y352 PolarHBondContact O-N 2.97Å; R350-Y352 PolarHBondContact O-N 3.43Å
353	M	88.1	Confident	88.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-79	-26.6	179.6	-71.6	-170.7	-70.5	0	0	113.7	V221 A349 R350 N355 I360 L378 V379 V382 R388	V221-M353 HydrophobicContact CB-SD 4.45Å; V221-M353 HydrophobicContact CG1-CE 4.38Å; V221-M353 HydrophobicContact CG1-CG 4.17Å; V221-M353 HydrophobicContact CG1-SD 3.84Å; V221-M353 HydrophobicContact CG2-SD 4.13Å; A349-M353 HydrophobicContact CB-CE 3.9Å; A349-M353 VanDerWaalsContact O-CB 3.29Å; A349-M353 WeakPolarHBondContact O-CB 3.5Å; A349-M353 WeakPolarHBondContact O-CE 3.38Å; A349-M353 VanDerWaalsContact O-CG 3.25Å; A349-M353 WeakPolarHBondContact O-CG 3.46Å; A349-M353 PolarHBondContact O-N 3.27Å; R350-M353 PolarHBondContact O-N 2.94Å; M353-N355 PolarHBondContact O-N 2.86Å; M353-I360 HydrophobicContact CB-CD1 4.12Å; M353-I360 HydrophobicContact CG-CD1 4.03Å; M353-I360 HydrophobicContact CG-CG1 4.13Å; M353-I360 HydrophobicContact SD-CD1 4.04Å; M353-I360 HydrophobicContact SD-CG1 4.46Å; M353-I360 HydrophobicContact SD-CG2 4.02Å; M353-L378 HydrophobicContact CE-CD2 3.52Å; M353-L378 HydrophobicContact CE-CG 3.61Å; M353-V379 HydrophobicContact SD-CG2 4Å; M353-V382 HydrophobicContact CB-CB 4.44Å; M353-V382 HydrophobicContact CB-CG1 3.82Å; M353-V382 VanDerWaalsContact O-CG1 3.25Å; M353-V382 WeakPolarHBondContact O-CG1 3.33Å; M353-R388 VanDerWaalsContact O-CZ 3.3Å; M353-R388 PolarHBondContact O-NH1 2.79Å; M353-R388 PolarHBondContact O-NH2 2.8Å
354	S	86.9	Confident	88.9	Confident	76 Å²	76	31.3 Å²	31.3	53%	0.531	17%	0.166	S	C	.	.	H	α-helix	trans	-65.3	-21.5	-179.3	57	0	0	0	0	112.6	R350 Q351 P356	R350-S354 VanDerWaalsContact O-CB 3.23Å; R350-S354 WeakPolarHBondContact O-CB 3.16Å; R350-S354 PolarHBondContact O-N 2.82Å; R350-S354 PolarHBondContact O-OG 3.35Å; Q351-S354 PolarHBondContact O-OG 3.25Å; S354-P356 WeakPolarHBondContact O-CD 3.45Å
355	N	83.8	Confident	88.9	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.154	C	C	.	.			trans	-58.6	119.7	171.3	179.3	-17	0	0	0	110	D213 M353 N357 A358 R388	D213-N355 PolarHBondContact O-ND2 2.74Å; D213-N355 PolarHBondContact O-OD1 3.13Å; M353-N355 PolarHBondContact O-N 2.86Å; N355-N357 PolarHBondContact O-N 3.16Å; N355-N357 WeakPolarHBondContact OD1-CA 3.21Å; N355-N357 WeakPolarHBondContact OD1-CB 3.5Å; N355-N357 PolarHBondContact OD1-N 3.37Å; N355-A358 HydrophobicContact CB-CB 3.97Å; N355-A358 WeakPolarHBondContact O-CB 3.29Å; N355-A358 PolarHBondContact O-N 3.44Å; N355-A358 VanDerWaalsContact O-N 3.11Å; N355-R388 PolarHBondContact O-NH1 3.16Å
356	P	82.8	Confident	88.6	Confident	90 Å²	90	29.7 Å²	29.7	58%	0.584	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.8	-179.6	27.2	-34.8	0	0	0	112.9	S354 A358 R388	S354-P356 WeakPolarHBondContact O-CD 3.45Å; P356-A358 VanDerWaalsContact C-N 3.32Å; P356-R388 VanDerWaalsContact O-CD 3.24Å; P356-R388 WeakPolarHBondContact O-CD 3.46Å
357	N	81.4	Confident	88.3	Confident	39 Å²	39	28.9 Å²	28.9	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	20.5	177.4	-61.7	-23.1	0	0	0	111.5	Q214 P216 N355 M482	Q214-N357 PolarHBondContact O-ND2 2.99Å; P216-N357 VanDerWaalsContact CA-O 3.25Å; P216-N357 WeakPolarHBondContact CA-O 3.48Å; P216-N357 HydrophobicContact CG-CB 4.36Å; N355-N357 PolarHBondContact O-N 3.16Å; N355-N357 WeakPolarHBondContact OD1-CA 3.21Å; N355-N357 WeakPolarHBondContact OD1-CB 3.5Å; N355-N357 PolarHBondContact OD1-N 3.37Å; N357-M482 WeakPolarHBondContact O-CE 3.13Å
358	A	87.1	Confident	87.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.2	171.1	0	0	0	0	0	111.5	R217 V219 N355 P356 R388	R217-A358 HydrophobicContact CG-CB 4.25Å; R217-A358 CarbonylContact O-C 3.43Å; R217-A358 WeakPolarHBondContact O-CA 3Å; V219-A358 HydrophobicContact CG2-CB 3.97Å; N355-A358 HydrophobicContact CB-CB 3.97Å; N355-A358 WeakPolarHBondContact O-CB 3.29Å; N355-A358 PolarHBondContact O-N 3.44Å; N355-A358 VanDerWaalsContact O-N 3.11Å; P356-A358 VanDerWaalsContact C-N 3.32Å; A358-R388 VanDerWaalsContact O-CD 3.3Å; A358-R388 WeakPolarHBondContact O-CD 3.33Å; A358-R388 PolarHBondContact O-NH1 2.88Å
359	I	91.1	Very high	87.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122	167.6	-67.3	163.5	0	0	0	107.6	R217 V218 V219 R388 I390 R478 F479 M482	R217-I359 PolarHBondContact O-N 3.36Å; V218-I359 CarbonylContact C-O 3.6Å; V218-I359 WeakPolarHBondContact CA-O 3.33Å; V218-I359 HydrophobicContact CG1-CG2 4.35Å; V218-I359 HydrophobicContact CG2-CB 4.31Å; V218-I359 HydrophobicContact CG2-CD1 4.36Å; V219-I359 PolarHBondContact N-O 3.49Å; I359-R388 CarbonylContact C-O 3.55Å; I359-R388 WeakPolarHBondContact CA-O 3.4Å; I359-I390 HydrophobicContact CG2-CD1 3.91Å; I359-I390 HydrophobicContact CG2-CG1 4.33Å; I359-R478 HydrophobicContact CD1-CB 4.12Å; I359-R478 HydrophobicContact CD1-CG 3.75Å; I359-R478 HydrophobicContact CG1-CG 4.27Å; I359-F479 VanDerWaalsContact CD1-CA 3.46Å; I359-F479 HydrophobicContact CD1-CB 3.97Å; I359-M482 HydrophobicContact CD1-CE 3.91Å; I359-M482 HydrophobicContact CG1-CE 3.59Å; I359-M482 HydrophobicContact CG1-SD 4.17Å
360	I	93.4	Very high	86.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.6	178.8	-56.4	176.3	0	0	0	107.9	V221 M353 V379 D383 R388 T389 I390	V221-I360 HydrophobicContact CG2-CG2 3.48Å; V221-I360 VanDerWaalsContact CG2-CG2 3.48Å; M353-I360 HydrophobicContact CB-CD1 4.12Å; M353-I360 HydrophobicContact CG-CD1 4.03Å; M353-I360 HydrophobicContact CG-CG1 4.13Å; M353-I360 HydrophobicContact SD-CD1 4.04Å; M353-I360 HydrophobicContact SD-CG1 4.46Å; M353-I360 HydrophobicContact SD-CG2 4.02Å; I360-V379 HydrophobicContact CD1-CG1 4.41Å; I360-V379 HydrophobicContact CG2-CG1 4.12Å; I360-V379 HydrophobicContact CG2-CG2 3.92Å; I360-D383 HydrophobicContact CD1-CB 4.18Å; I360-R388 PolarHBondContact N-O 2.92Å; I360-T389 CarbonylContact O-C 3.55Å; I360-T389 WeakPolarHBondContact O-CA 3.24Å; I360-I390 PolarHBondContact O-N 3.31Å
361	L	94.2	Very high	86	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	96.1	170.6	-169.2	69.1	0	0	0	108.8	V218 V219 V220 V221 V231 V363 I390 V392 L471 V475	V218-L361 HydrophobicContact CG1-CB 4.05Å; V219-L361 PolarHBondContact O-N 3.32Å; V220-L361 HydrophobicContact CG1-CD2 4.3Å; V220-L361 HydrophobicContact CG2-CB 4.38Å; V220-L361 HydrophobicContact CG2-CD2 4.01Å; V221-L361 PolarHBondContact N-O 3.35Å; V231-L361 HydrophobicContact CG1-CD2 4.38Å; L361-V363 HydrophobicContact CG-CG2 4.31Å; L361-I390 HydrophobicContact CD1-CB 3.95Å; L361-I390 HydrophobicContact CD1-CG2 3.78Å; L361-V392 HydrophobicContact CD1-CG2 3.45Å; L361-V392 VanDerWaalsContact CD1-CG2 3.45Å; L361-V392 HydrophobicContact CG-CG2 4.06Å; L361-L471 HydrophobicContact CD1-CD1 4.16Å; L361-V475 HydrophobicContact CD1-CG2 4.08Å
362	C	93.2	Very high	85.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	110.1	-179	-178.4	0	0	0	0	110.3	V221 V379 T389 I390 F391 V392	V221-C362 HydrophobicContact CG2-CB 4.37Å; C362-V379 HydrophobicContact CB-CG2 4.44Å; C362-T389 HydrophobicContact CB-CG2 4.34Å; C362-I390 PolarHBondContact N-O 3.22Å; C362-F391 HydrophobicContact CB-CD2 4.26Å; C362-V392 PolarHBondContact O-N 3.39Å
363	V	92.7	Very high	85.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.2	-176.3	-174.3	0	0	0	0	110.6	V220 V221 G222 S226 K228 V231 L361 V392 T394	V220-V363 HydrophobicContact CG1-CG2 3.74Å; V221-V363 PolarHBondContact O-N 2.78Å; G222-V363 VanDerWaalsContact CA-O 3.27Å; G222-V363 WeakPolarHBondContact CA-O 3.5Å; S226-V363 WeakPolarHBondContact CB-O 3.28Å; S226-V363 PolarHBondContact OG-O 3.49Å; S226-V363 VanDerWaalsContact OG-O 3.08Å; K228-V363 HydrophobicContact CG-CB 3.94Å; K228-V363 HydrophobicContact CG-CG1 4.42Å; K228-V363 HydrophobicContact CG-CG2 4.23Å; V231-V363 HydrophobicContact CG2-CG1 4.14Å; L361-V363 HydrophobicContact CG-CG2 4.31Å; V363-V392 WeakPolarHBondContact CA-O 3.49Å; V363-V392 HydrophobicContact CG2-CB 4.4Å; V363-T394 HydrophobicContact CG1-CG2 3.44Å; V363-T394 VanDerWaalsContact CG1-CG2 3.44Å
364	Q	89.4	Confident	85.2	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.023	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.7	-179.7	-174.6	163.9	6	0	0	111.5	A370 S373 F391 V392 L393 T394	Q364-A370 PolarHBondContact NE2-O 3.18Å; Q364-S373 VanDerWaalsContact NE2-CB 3.33Å; Q364-F391 HydrophobicContact CB-CE2 3.91Å; Q364-F391 HydrophobicContact CB-CZ 3.7Å; Q364-F391 HydrophobicContact CG-CZ 4.32Å; Q364-V392 PolarHBondContact N-O 2.95Å; Q364-L393 HydrophobicContact CB-CD1 4.43Å; Q364-L393 WeakPolarHBondContact O-CA 3.36Å; Q364-T394 PolarHBondContact O-N 3.21Å; Q364-T394 PolarHBondContact O-OG1 3.43Å; Q364-T394 VanDerWaalsContact O-OG1 3.12Å
365	D	88.5	Confident	85.2	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.5	174.4	-167.5	-26	0	0	0	110.5	S367 I368 K395	D365-S367 VanDerWaalsContact C-N 3.3Å; D365-S367 VanDerWaalsContact CG-OG 3.27Å; D365-S367 PolarHBondContact O-N 2.83Å; D365-S367 WeakPolarHBondContact OD1-CB 3.49Å; D365-S367 PolarHBondContact OD1-N 3Å; D365-S367 PolarHBondContact OD1-OG 2.82Å; D365-S367 PolarHBondContact OD2-OG 3.39Å; D365-I368 HydrophobicContact CB-CB 4.34Å; D365-I368 HydrophobicContact CB-CD1 3.98Å; D365-I368 HydrophobicContact CB-CG1 4.14Å; D365-K395 WeakPolarHBondContact OD1-CD 3.45Å; D365-K395 WeakPolarHBondContact OD2-CD 3.19Å; D365-K395 WeakPolarHBondContact OD2-CE 3.46Å; D365-K395 IonicContact OD2-NZ 3.25Å; D365-K395 PolarHBondContact OD2-NZ 3.16Å
366	G	84.6	Confident	85.3	Confident	11 Å²	11	34.3 Å²	34.3	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.1	177.2	0	0	0	0	0	114.6	I368 T394 A399	G366-I368 VanDerWaalsContact C-N 3.33Å; G366-T394 WeakPolarHBondContact CA-O 3.4Å; G366-T394 PolarHBondContact N-O 2.92Å; G366-A399 WeakPolarHBondContact O-CB 3.3Å
367	S	81.8	Confident	85.4	Confident	26 Å²	26	35.6 Å²	35.6	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.1	176.9	71.4	0	0	0	0	113.8	D365	D365-S367 VanDerWaalsContact C-N 3.3Å; D365-S367 VanDerWaalsContact CG-OG 3.27Å; D365-S367 PolarHBondContact O-N 2.83Å; D365-S367 WeakPolarHBondContact OD1-CB 3.49Å; D365-S367 PolarHBondContact OD1-N 3Å; D365-S367 PolarHBondContact OD1-OG 2.82Å; D365-S367 PolarHBondContact OD2-OG 3.39Å
368	I	82.1	Confident	85.7	Confident	89 Å²	89	34.2 Å²	34.2	46%	0.456	17%	0.169	S	C	.	.	S	Bend	trans	-110.5	147	-178.9	-59.4	176.6	0	0	0	109	D365 G366 A370 R372	D365-I368 HydrophobicContact CB-CB 4.34Å; D365-I368 HydrophobicContact CB-CD1 3.98Å; D365-I368 HydrophobicContact CB-CG1 4.14Å; G366-I368 VanDerWaalsContact C-N 3.33Å; I368-A370 PolarHBondContact O-N 3.45Å; I368-R372 HydrophobicContact CG2-CB 4.49Å
369	D	77.3	Confident	85.9	Confident	56 Å²	56	34.2 Å²	34.2	30%	0.299	17%	0.169	S	C	.	.			trans	-52.5	125.5	173.1	-76.8	-44.7	0	0	0	111.1	E371 R372 R408	D369-E371 PolarHBondContact O-N 3.33Å; D369-E371 VanDerWaalsContact O-N 3.16Å; D369-R372 HydrophobicContact CB-CG 4.04Å; D369-R372 PolarHBondContact O-N 3.18Å; D369-R372 IonicContact OD2-NE 2.91Å; D369-R408 IonicContact OD1-NH1 3.94Å; D369-R408 PolarHBondContact OD1-NH1 2.69Å
370	A	74.9	Confident	85.7	Confident	3 Å²	3	36 Å²	36	3%	0.025	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-64.4	-29.5	-171.5	0	0	0	0	0	112.2	Q364 I368 R372 S373 I412 L417 F418	Q364-A370 PolarHBondContact NE2-O 3.18Å; I368-A370 PolarHBondContact O-N 3.45Å; A370-R372 VanDerWaalsContact C-N 3.27Å; A370-R372 PolarHBondContact O-N 2.87Å; A370-S373 WeakPolarHBondContact O-CB 3.2Å; A370-S373 PolarHBondContact O-N 3.43Å; A370-I412 HydrophobicContact CB-CD1 3.84Å; A370-I412 HydrophobicContact CB-CG1 4.48Å; A370-L417 HydrophobicContact CB-CD2 3.76Å; A370-F418 HydrophobicContact CB-CE1 4.16Å; A370-F418 HydrophobicContact CB-CE2 3.83Å; A370-F418 HydrophobicContact CB-CZ 3.24Å; A370-F418 VanDerWaalsContact O-CZ 3.32Å; A370-F418 WeakPolarHBondContact O-CZ 3.26Å
371	E	78.4	Confident	85.5	Confident	138 Å²	138	39.2 Å²	39.2	65%	0.645	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-68.1	-17.6	177.4	-65.2	160.1	-150.6	0	0	114.2	D369 S373 R408	D369-E371 PolarHBondContact O-N 3.33Å; D369-E371 VanDerWaalsContact O-N 3.16Å; E371-S373 VanDerWaalsContact C-N 3.28Å; E371-R408 IonicContact OE1-CZ 2.83Å; E371-R408 IonicContact OE1-NH2 3.42Å; E371-R408 PolarHBondContact OE1-NH2 2.77Å
372	R	81.1	Confident	85.3	Confident	187 Å²	187	40.9 Å²	40.9	71%	0.706	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-84	-6.3	178	-66.1	-179.1	179.3	-124.3	-1	113.1	I368 D369 A370	I368-R372 HydrophobicContact CG2-CB 4.49Å; D369-R372 HydrophobicContact CB-CG 4.04Å; D369-R372 PolarHBondContact O-N 3.18Å; D369-R372 IonicContact OD2-NE 2.91Å; A370-R372 VanDerWaalsContact C-N 3.27Å; A370-R372 PolarHBondContact O-N 2.87Å
373	S	80.8	Confident	85.1	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.042	22%	0.216	C	C	.	.			trans	-78.7	128.4	-174.6	-172.2	0	0	0	0	111.4	D223 Q364 A370 E371 V375 T376	D223-S373 VanDerWaalsContact OD2-CA 3.24Å; D223-S373 WeakPolarHBondContact OD2-CA 3.39Å; D223-S373 VanDerWaalsContact OD2-CB 3.27Å; D223-S373 WeakPolarHBondContact OD2-CB 3.22Å; D223-S373 PolarHBondContact OD2-OG 3.48Å; Q364-S373 VanDerWaalsContact NE2-CB 3.33Å; A370-S373 WeakPolarHBondContact O-CB 3.2Å; A370-S373 PolarHBondContact O-N 3.43Å; E371-S373 VanDerWaalsContact C-N 3.28Å; S373-V375 WeakPolarHBondContact OG-CG1 3.21Å; S373-T376 PolarHBondContact O-OG1 2.93Å
374	N	83.3	Confident	84.9	Confident	51 Å²	51	45.8 Å²	45.8	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-88.7	-14.6	176.9	-64.4	-53.2	0	0	0	112	D223 I329	D223-N374 PolarHBondContact OD1-N 3.35Å; I329-N374 HydrophobicContact CG2-CB 4.07Å
375	V	87.4	Confident	84.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.7	-35.5	-177.6	62.8	0	0	0	0	112.2	V221 D223 I329 S373 D377 L378 V379	V221-V375 HydrophobicContact CB-CG2 4.09Å; V221-V375 HydrophobicContact CG2-CG2 3.91Å; D223-V375 PolarHBondContact OD1-N 3.43Å; I329-V375 HydrophobicContact CD1-CB 3.85Å; I329-V375 HydrophobicContact CD1-CG2 3.94Å; S373-V375 WeakPolarHBondContact OG-CG1 3.21Å; V375-D377 PolarHBondContact O-N 2.85Å; V375-L378 PolarHBondContact O-N 3.48Å; V375-V379 HydrophobicContact CG2-CG2 3.89Å; V375-V379 VanDerWaalsContact O-CG2 3.3Å; V375-V379 WeakPolarHBondContact O-CG2 3.13Å; V375-V379 PolarHBondContact O-N 2.76Å
376	T	85.9	Confident	84.7	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-43.8	-176.3	48.2	0	0	0	0	112	S373 L378 V379 S380 F418	S373-T376 PolarHBondContact O-OG1 2.93Å; T376-L378 VanDerWaalsContact C-N 3.34Å; T376-L378 PolarHBondContact O-N 3.34Å; T376-V379 PolarHBondContact O-N 3.36Å; T376-S380 VanDerWaalsContact O-CB 3.27Å; T376-S380 WeakPolarHBondContact O-CB 3.29Å; T376-S380 PolarHBondContact O-N 2.79Å; T376-F418 HydrophobicContact CG2-CE1 4.46Å; T376-F418 HydrophobicContact CG2-CE2 4.31Å; T376-F418 HydrophobicContact CG2-CZ 4.23Å
377	D	85.7	Confident	84.9	Confident	118 Å²	118	54.3 Å²	54.3	63%	0.631	29%	0.287	S	S	*	.	H	α-helix	trans	-63.3	-41.4	175.5	-71.8	-18.3	0	0	0	111.7	V375 S380 S381	V375-D377 PolarHBondContact O-N 2.85Å; D377-S380 PolarHBondContact O-N 3.48Å; D377-S381 WeakPolarHBondContact O-CB 3.46Å; D377-S381 PolarHBondContact O-N 2.9Å
378	L	87.4	Confident	85.3	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-46	179.3	-172.2	64.1	0	0	0	111.3	I329 A349 R350 M353 V375 T376 S381 V382	I329-L378 HydrophobicContact CD1-CD2 3.61Å; A349-L378 HydrophobicContact CB-CD2 3.99Å; R350-L378 HydrophobicContact CG-CD1 3.83Å; M353-L378 HydrophobicContact CE-CD2 3.52Å; M353-L378 HydrophobicContact CE-CG 3.61Å; V375-L378 PolarHBondContact O-N 3.48Å; T376-L378 VanDerWaalsContact C-N 3.34Å; T376-L378 PolarHBondContact O-N 3.34Å; L378-S381 PolarHBondContact O-N 2.97Å; L378-S381 PolarHBondContact O-OG 2.92Å; L378-V382 PolarHBondContact O-N 3.49Å
379	V	90	Very high	85.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-43.5	178	174.3	0	0	0	0	110.8	V221 M353 I360 C362 V375 T376 S381 V382 D383 T389 M420	V221-V379 HydrophobicContact CG2-CG2 3.88Å; M353-V379 HydrophobicContact SD-CG2 4Å; I360-V379 HydrophobicContact CD1-CG1 4.41Å; I360-V379 HydrophobicContact CG2-CG1 4.12Å; I360-V379 HydrophobicContact CG2-CG2 3.92Å; C362-V379 HydrophobicContact CB-CG2 4.44Å; V375-V379 HydrophobicContact CG2-CG2 3.89Å; V375-V379 VanDerWaalsContact O-CG2 3.3Å; V375-V379 WeakPolarHBondContact O-CG2 3.13Å; V375-V379 PolarHBondContact O-N 2.76Å; T376-V379 PolarHBondContact O-N 3.36Å; V379-S381 PolarHBondContact O-N 3.1Å; V379-V382 PolarHBondContact O-N 3.28Å; V379-D383 PolarHBondContact O-N 2.88Å; V379-T389 HydrophobicContact CG1-CG2 3.65Å; V379-M420 HydrophobicContact CB-SD 4Å; V379-M420 HydrophobicContact CG1-SD 3.69Å
380	S	88.3	Confident	86.5	Confident	37 Å²	37	47.8 Å²	47.8	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-27.9	176.7	-169.7	0	0	0	0	112.7	T376 D377 V382 P384	T376-S380 VanDerWaalsContact O-CB 3.27Å; T376-S380 WeakPolarHBondContact O-CB 3.29Å; T376-S380 PolarHBondContact O-N 2.79Å; D377-S380 PolarHBondContact O-N 3.48Å; S380-V382 VanDerWaalsContact C-N 3.33Å; S380-P384 WeakPolarHBondContact O-CA 3.41Å
381	S	88.9	Confident	87.3	Confident	68 Å²	68	47.7 Å²	47.7	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-72.4	-24.7	175.1	78.3	0	0	0	0	113.5	R350 D377 L378 V379	R350-S381 PolarHBondContact NH1-OG 2.88Å; R350-S381 VanDerWaalsContact NH1-OG 3.17Å; D377-S381 WeakPolarHBondContact O-CB 3.46Å; D377-S381 PolarHBondContact O-N 2.9Å; L378-S381 PolarHBondContact O-N 2.97Å; L378-S381 PolarHBondContact O-OG 2.92Å; V379-S381 PolarHBondContact O-N 3.1Å
382	V	89.1	Confident	88	Confident	36 Å²	36	41.1 Å²	41.1	22%	0.218	22%	0.217	C	C	.	.	H	α-helix	trans	-106.3	-34.4	-173.6	178.6	0	0	0	0	112.7	M353 L378 V379 S380	M353-V382 HydrophobicContact CB-CB 4.44Å; M353-V382 HydrophobicContact CB-CG1 3.82Å; M353-V382 VanDerWaalsContact O-CG1 3.25Å; M353-V382 WeakPolarHBondContact O-CG1 3.33Å; L378-V382 PolarHBondContact O-N 3.49Å; V379-V382 PolarHBondContact O-N 3.28Å; S380-V382 VanDerWaalsContact C-N 3.33Å
383	D	89.8	Confident	88.4	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.037	18%	0.184	C	C	.	.			trans	-128.1	74.1	172.1	-178.6	20.4	0	0	0	110.5	I360 V379 S385 G386 K387 R388 T389	I360-D383 HydrophobicContact CD1-CB 4.18Å; V379-D383 PolarHBondContact O-N 2.88Å; D383-S385 PolarHBondContact O-N 3.5Å; D383-S385 VanDerWaalsContact O-N 3.14Å; D383-S385 PolarHBondContact OD1-N 2.9Å; D383-S385 PolarHBondContact OD1-OG 3.35Å; D383-G386 PolarHBondContact O-N 2.85Å; D383-G386 PolarHBondContact OD1-N 3.01Å; D383-G386 VanDerWaalsContact OD2-CA 3.24Å; D383-G386 WeakPolarHBondContact OD2-CA 3.12Å; D383-K387 PolarHBondContact OD1-N 3.48Å; D383-K387 PolarHBondContact OD2-N 2.78Å; D383-K387 VanDerWaalsContact OD2-N 3.11Å; D383-R388 HydrophobicContact CB-CG 4.4Å; D383-R388 WeakPolarHBondContact OD2-CG 3.31Å; D383-R388 PolarHBondContact OD2-N 3.2Å; D383-R388 VanDerWaalsContact OD2-N 3.08Å; D383-T389 PolarHBondContact OD2-N 3.15Å; D383-T389 PolarHBondContact OD2-OG1 2.63Å
384	P	87.8	Confident	88.9	Confident	95 Å²	95	32 Å²	32	62%	0.617	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.4	178.5	25.6	-34.9	0	0	0	112.9	S380	S380-P384 WeakPolarHBondContact O-CA 3.41Å
385	S	87.7	Confident	89.1	Confident	56 Å²	56	32.2 Å²	32.2	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.1	-179.2	69.9	0	0	0	0	114	D383 K387	D383-S385 PolarHBondContact O-N 3.5Å; D383-S385 VanDerWaalsContact O-N 3.14Å; D383-S385 PolarHBondContact OD1-N 2.9Å; D383-S385 PolarHBondContact OD1-OG 3.35Å; S385-K387 PolarHBondContact O-N 3.46Å; S385-K387 WeakPolarHBondContact OG-CB 3.24Å; S385-K387 WeakPolarHBondContact OG-CD 3.36Å; S385-K387 VanDerWaalsContact OG-CG 3.24Å; S385-K387 WeakPolarHBondContact OG-CG 3.22Å; S385-K387 PolarHBondContact OG-N 2.89Å
386	G	87.3	Confident	88.9	Confident	3 Å²	3	32.2 Å²	32.2	3%	0.031	18%	0.181	C	C	.	.			trans	65	17	-174.9	0	0	0	0	0	114.7	D383 R388 K421 L423	D383-G386 PolarHBondContact O-N 2.85Å; D383-G386 PolarHBondContact OD1-N 3.01Å; D383-G386 VanDerWaalsContact OD2-CA 3.24Å; D383-G386 WeakPolarHBondContact OD2-CA 3.12Å; G386-R388 VanDerWaalsContact C-N 3.25Å; G386-R388 PolarHBondContact O-N 3.25Å; G386-K421 WeakPolarHBondContact CA-O 3.4Å; G386-L423 PolarHBondContact O-N 3.4Å
387	K	87.6	Confident	88.9	Confident	147 Å²	147	32.6 Å²	32.6	64%	0.639	18%	0.182	S	C	*	.	S	Bend	trans	-74.4	-13.7	-171.8	-76.3	176.4	-174.5	178.4	0	113.7	D383 S385 L423 R478	D383-K387 PolarHBondContact OD1-N 3.48Å; D383-K387 PolarHBondContact OD2-N 2.78Å; D383-K387 VanDerWaalsContact OD2-N 3.11Å; S385-K387 PolarHBondContact O-N 3.46Å; S385-K387 WeakPolarHBondContact OG-CB 3.24Å; S385-K387 WeakPolarHBondContact OG-CD 3.36Å; S385-K387 VanDerWaalsContact OG-CG 3.24Å; S385-K387 WeakPolarHBondContact OG-CG 3.22Å; S385-K387 PolarHBondContact OG-N 2.89Å; K387-L423 VanDerWaalsContact O-CD1 3.29Å; K387-L423 WeakPolarHBondContact O-CD1 3.41Å; K387-L423 WeakPolarHBondContact O-CD2 3.48Å; K387-R478 PolarHBondContact O-NH2 3.24Å
388	R	89.7	Confident	88.7	Confident	29 Å²	29	30.6 Å²	30.6	11%	0.109	17%	0.171	C	C	.	.	S	Bend	trans	-137.8	11.6	-179.8	63.5	-170.1	177.8	95.3	-3.7	112.8	M353 N355 P356 A358 I359 I360 D383 G386	M353-R388 VanDerWaalsContact O-CZ 3.3Å; M353-R388 PolarHBondContact O-NH1 2.79Å; M353-R388 PolarHBondContact O-NH2 2.8Å; N355-R388 PolarHBondContact O-NH1 3.16Å; P356-R388 VanDerWaalsContact O-CD 3.24Å; P356-R388 WeakPolarHBondContact O-CD 3.46Å; A358-R388 VanDerWaalsContact O-CD 3.3Å; A358-R388 WeakPolarHBondContact O-CD 3.33Å; A358-R388 PolarHBondContact O-NH1 2.88Å; I359-R388 CarbonylContact C-O 3.55Å; I359-R388 WeakPolarHBondContact CA-O 3.4Å; I360-R388 PolarHBondContact N-O 2.92Å; D383-R388 HydrophobicContact CB-CG 4.4Å; D383-R388 WeakPolarHBondContact OD2-CG 3.31Å; D383-R388 PolarHBondContact OD2-N 3.2Å; D383-R388 VanDerWaalsContact OD2-N 3.08Å; G386-R388 VanDerWaalsContact C-N 3.25Å; G386-R388 PolarHBondContact O-N 3.25Å
389	T	92	Very high	88.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.3	178.3	-59.6	0	0	0	0	110.2	I360 C362 V379 D383 M420 A422 L423	I360-T389 CarbonylContact O-C 3.55Å; I360-T389 WeakPolarHBondContact O-CA 3.24Å; C362-T389 HydrophobicContact CB-CG2 4.34Å; V379-T389 HydrophobicContact CG1-CG2 3.65Å; D383-T389 PolarHBondContact OD2-N 3.15Å; D383-T389 PolarHBondContact OD2-OG1 2.63Å; T389-M420 HydrophobicContact CG2-CE 4.49Å; T389-M420 HydrophobicContact CG2-SD 4.35Å; T389-A422 HydrophobicContact CG2-CB 4.3Å; T389-A422 CarbonylContact O-C 3.59Å; T389-A422 WeakPolarHBondContact O-CA 3.33Å; T389-A422 WeakPolarHBondContact O-CB 3.28Å; T389-L423 PolarHBondContact O-N 2.88Å
390	I	92.8	Very high	87.7	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.3	170.4	-63.3	173.5	0	0	0	107	I359 I360 L361 C362 V392 F426 L471 V475	I359-I390 HydrophobicContact CG2-CD1 3.91Å; I359-I390 HydrophobicContact CG2-CG1 4.33Å; I360-I390 PolarHBondContact O-N 3.31Å; L361-I390 HydrophobicContact CD1-CB 3.95Å; L361-I390 HydrophobicContact CD1-CG2 3.78Å; C362-I390 PolarHBondContact N-O 3.22Å; I390-V392 HydrophobicContact CG2-CG2 4.43Å; I390-F426 HydrophobicContact CG2-CD2 3.66Å; I390-F426 HydrophobicContact CG2-CE2 3.73Å; I390-L471 HydrophobicContact CG2-CD1 4.12Å; I390-V475 HydrophobicContact CD1-CG2 3.78Å
391	F	92.4	Very high	87.2	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.1	-179.1	-175.3	-92.7	0	0	0	110.8	C362 Q364 L393 I412 M420 A422 G424 Y425 F426	C362-F391 HydrophobicContact CB-CD2 4.26Å; Q364-F391 HydrophobicContact CB-CE2 3.91Å; Q364-F391 HydrophobicContact CB-CZ 3.7Å; Q364-F391 HydrophobicContact CG-CZ 4.32Å; F391-L393 HydrophobicContact CE1-CB 4.23Å; F391-L393 HydrophobicContact CE1-CD1 4.23Å; F391-L393 HydrophobicContact CZ-CD1 4.39Å; F391-I412 HydrophobicContact CD1-CG2 4.34Å; F391-I412 HydrophobicContact CE1-CG2 3.43Å; F391-I412 VanDerWaalsContact CE1-CG2 3.43Å; F391-I412 HydrophobicContact CZ-CG2 3.89Å; F391-M420 HydrophobicContact CD2-CE 3.77Å; F391-M420 HydrophobicContact CE2-CE 4.43Å; F391-M420 HydrophobicContact CG-CE 4.48Å; F391-A422 HydrophobicContact CB-CB 3.93Å; F391-G424 PolarHBondContact N-O 3.3Å; F391-Y425 HydrophobicContact CB-CD1 3.74Å; F391-Y425 HydrophobicContact CB-CE1 4.04Å; F391-Y425 HydrophobicContact CB-CG 4.42Å; F391-Y425 AromaticContact CD1-CD1 3.66Å; F391-Y425 HydrophobicContact CD1-CD1 3.66Å; F391-Y425 HydrophobicContact CD1-CE1 4.31Å; F391-Y425 AromaticContact CG-CD1 3.92Å; F391-Y425 HydrophobicContact CG-CD1 3.92Å; F391-Y425 HydrophobicContact CG-CE1 4.22Å; F391-Y425 CarbonylContact O-C 3.58Å; F391-Y425 WeakPolarHBondContact O-CA 3.32Å; F391-F426 PolarHBondContact O-N 3.39Å
392	V	92.3	Very high	86.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.6	-178.4	-177.4	0	0	0	0	109.3	V231 L361 C362 V363 Q364 I390 T394 F426 V428 L471	V231-V392 HydrophobicContact CG2-CG1 4.5Å; L361-V392 HydrophobicContact CD1-CG2 3.45Å; L361-V392 VanDerWaalsContact CD1-CG2 3.45Å; L361-V392 HydrophobicContact CG-CG2 4.06Å; C362-V392 PolarHBondContact O-N 3.39Å; V363-V392 WeakPolarHBondContact CA-O 3.49Å; V363-V392 HydrophobicContact CG2-CB 4.4Å; Q364-V392 PolarHBondContact N-O 2.95Å; I390-V392 HydrophobicContact CG2-CG2 4.43Å; V392-T394 HydrophobicContact CG1-CG2 4.33Å; V392-F426 CarbonylContact C-O 3.59Å; V392-F426 WeakPolarHBondContact CA-O 3.45Å; V392-V428 HydrophobicContact CG1-CG1 4.22Å; V392-V428 HydrophobicContact CG1-CG2 3.49Å; V392-V428 VanDerWaalsContact CG1-CG2 3.49Å; V392-L471 HydrophobicContact CG1-CD2 3.97Å; V392-L471 HydrophobicContact CG2-CD1 3.67Å; V392-L471 HydrophobicContact CG2-CD2 3.78Å; V392-L471 HydrophobicContact CG2-CG 4.39Å
393	L	90.1	Very high	85	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.6	173	-162.7	66.3	0	0	0	109.3	Q364 F391 V396 I409 I412 L413 F426 A427 V428	Q364-L393 HydrophobicContact CB-CD1 4.43Å; Q364-L393 WeakPolarHBondContact O-CA 3.36Å; F391-L393 HydrophobicContact CE1-CB 4.23Å; F391-L393 HydrophobicContact CE1-CD1 4.23Å; F391-L393 HydrophobicContact CZ-CD1 4.39Å; L393-V396 HydrophobicContact CB-CG1 4.2Å; L393-V396 HydrophobicContact CD2-CG1 3.8Å; L393-V396 HydrophobicContact CG-CG1 3.85Å; L393-I409 HydrophobicContact CD2-CG2 4.12Å; L393-I412 HydrophobicContact CD1-CG2 4.46Å; L393-I412 HydrophobicContact CD2-CG2 4.45Å; L393-L413 HydrophobicContact CB-CD2 4.27Å; L393-L413 HydrophobicContact CD2-CD1 4.29Å; L393-L413 HydrophobicContact CD2-CD2 4.44Å; L393-L413 HydrophobicContact CD2-CG 4.42Å; L393-F426 PolarHBondContact N-O 3.23Å; L393-A427 WeakPolarHBondContact O-CA 3.41Å; L393-V428 PolarHBondContact O-N 2.98Å
394	T	90.7	Very high	83.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	170.2	176	64.7	0	0	0	0	110.6	S226 V231 V363 Q364 G366 V392 V396 V428	S226-T394 PolarHBondContact O-OG1 3.31Å; V231-T394 HydrophobicContact CG2-CG2 3.59Å; V363-T394 HydrophobicContact CG1-CG2 3.44Å; V363-T394 VanDerWaalsContact CG1-CG2 3.44Å; Q364-T394 PolarHBondContact O-N 3.21Å; Q364-T394 PolarHBondContact O-OG1 3.43Å; Q364-T394 VanDerWaalsContact O-OG1 3.12Å; G366-T394 WeakPolarHBondContact CA-O 3.4Å; G366-T394 PolarHBondContact N-O 2.92Å; V392-T394 HydrophobicContact CG1-CG2 4.33Å; T394-V396 PolarHBondContact O-N 2.97Å; T394-V396 VanDerWaalsContact O-N 3.14Å; T394-V428 WeakPolarHBondContact CA-O 3.13Å; T394-V428 HydrophobicContact CG2-CG2 3.85Å
395	K	88	Confident	82.4	Confident	56 Å²	56	42.1 Å²	42.1	24%	0.243	22%	0.224	C	C	.	.			trans	53.4	35.6	174.8	-50.2	-169.3	-159.3	158.5	0	114.3	S225 D365 D397 L398 A399	S225-K395 PolarHBondContact O-NZ 3.26Å; D365-K395 WeakPolarHBondContact OD1-CD 3.45Å; D365-K395 WeakPolarHBondContact OD2-CD 3.19Å; D365-K395 WeakPolarHBondContact OD2-CE 3.46Å; D365-K395 IonicContact OD2-NZ 3.25Å; D365-K395 PolarHBondContact OD2-NZ 3.16Å; K395-D397 WeakPolarHBondContact CA-OD1 3.38Å; K395-D397 PolarHBondContact O-N 3.34Å; K395-L398 HydrophobicContact CB-CB 4.42Å; K395-L398 HydrophobicContact CB-CD1 4.27Å; K395-L398 HydrophobicContact CB-CG 4.47Å; K395-L398 HydrophobicContact CD-CD1 4.05Å; K395-L398 PolarHBondContact O-N 3.49Å; K395-A399 PolarHBondContact O-N 2.85Å; K395-A399 VanDerWaalsContact O-N 3.13Å
396	V	84.1	Confident	81.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-21.7	179.4	-67.7	0	0	0	0	113	L393 T394 A399 E400 A427 V429 F449 F450	L393-V396 HydrophobicContact CB-CG1 4.2Å; L393-V396 HydrophobicContact CD2-CG1 3.8Å; L393-V396 HydrophobicContact CG-CG1 3.85Å; T394-V396 PolarHBondContact O-N 2.97Å; T394-V396 VanDerWaalsContact O-N 3.14Å; V396-A399 PolarHBondContact O-N 2.83Å; V396-E400 WeakPolarHBondContact O-CB 3.38Å; V396-E400 PolarHBondContact O-N 2.93Å; V396-A427 HydrophobicContact CG1-CB 4.06Å; V396-V429 HydrophobicContact CG2-CG2 3.48Å; V396-V429 VanDerWaalsContact CG2-CG2 3.48Å; V396-F449 HydrophobicContact CG2-CE1 3.71Å; V396-F449 HydrophobicContact CG2-CZ 4.34Å; V396-F450 HydrophobicContact CG2-CE1 4.08Å; V396-F450 HydrophobicContact CG2-CZ 3.9Å
397	D	84.4	Confident	81	Confident	16 Å²	16	45.9 Å²	45.9	9%	0.086	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-44	170	58.7	-36.1	0	0	0	112.7	K395 S401 V429 F449	K395-D397 WeakPolarHBondContact CA-OD1 3.38Å; K395-D397 PolarHBondContact O-N 3.34Å; D397-S401 PolarHBondContact O-N 3.39Å; D397-S401 VanDerWaalsContact O-N 3.08Å; D397-S401 PolarHBondContact O-OG 2.83Å; D397-V429 HydrophobicContact CB-CG1 4.45Å; D397-V429 HydrophobicContact CB-CG2 4.41Å; D397-F449 VanDerWaalsContact CA-CE2 3.47Å; D397-F449 VanDerWaalsContact CA-CZ 3.46Å; D397-F449 HydrophobicContact CB-CD2 3.95Å; D397-F449 HydrophobicContact CB-CE2 3.68Å; D397-F449 HydrophobicContact CB-CG 4.48Å; D397-F449 HydrophobicContact CB-CZ 3.98Å
398	L	83.3	Confident	80.5	Confident	75 Å²	75	42.1 Å²	42.1	39%	0.393	22%	0.224	S	C	.	.	H	α-helix	trans	-68.6	-37.9	172.8	-63.2	-175.1	0	0	0	111.5	K395 E400 S401 N402	K395-L398 HydrophobicContact CB-CB 4.42Å; K395-L398 HydrophobicContact CB-CD1 4.27Å; K395-L398 HydrophobicContact CB-CG 4.47Å; K395-L398 HydrophobicContact CD-CD1 4.05Å; K395-L398 PolarHBondContact O-N 3.49Å; L398-E400 VanDerWaalsContact C-N 3.34Å; L398-E400 PolarHBondContact O-N 3.39Å; L398-S401 WeakPolarHBondContact CA-OG 3.2Å; L398-S401 PolarHBondContact O-N 3.32Å; L398-S401 PolarHBondContact O-OG 3.29Å; L398-S401 VanDerWaalsContact O-OG 3.06Å; L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.27Å; L398-N402 VanDerWaalsContact O-CG 3.25Å; L398-N402 PolarHBondContact O-N 2.96Å; L398-N402 PolarHBondContact O-ND2 2.79Å
399	A	79.8	Confident	79.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-42.1	176.7	0	0	0	0	0	112.3	G366 K395 V396 I409	G366-A399 WeakPolarHBondContact O-CB 3.3Å; K395-A399 PolarHBondContact O-N 2.85Å; K395-A399 VanDerWaalsContact O-N 3.13Å; V396-A399 PolarHBondContact O-N 2.83Å; A399-I409 HydrophobicContact CB-CD1 3.7Å
400	E	76.4	Confident	79.2	Confident	44 Å²	44	44.1 Å²	44.1	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-43.1	177.9	-175.2	174.6	-173.8	0	0	112.1	V396 L398 L403 F449 S453 R454 L455	V396-E400 WeakPolarHBondContact O-CB 3.38Å; V396-E400 PolarHBondContact O-N 2.93Å; L398-E400 VanDerWaalsContact C-N 3.34Å; L398-E400 PolarHBondContact O-N 3.39Å; E400-L403 PolarHBondContact O-N 3.49Å; E400-F449 HydrophobicContact CB-CZ 4.41Å; E400-F449 WeakPolarHBondContact OE2-CE2 3.39Å; E400-F449 WeakPolarHBondContact OE2-CZ 3.37Å; E400-S453 VanDerWaalsContact CD-OG 3.26Å; E400-S453 PolarHBondContact OE1-OG 3Å; E400-S453 VanDerWaalsContact OE2-CB 3.32Å; E400-S453 WeakPolarHBondContact OE2-CB 3.38Å; E400-S453 PolarHBondContact OE2-OG 3.36Å; E400-R454 WeakPolarHBondContact OE1-CB 3.35Å; E400-R454 WeakPolarHBondContact OE1-CG 3.42Å; E400-R454 PolarHBondContact OE1-N 3.2Å; E400-L455 HydrophobicContact CB-CD1 4.31Å
401	S	77	Confident	78.7	Confident	75 Å²	75	47.9 Å²	47.9	52%	0.524	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-34.4	179.4	55.6	0	0	0	0	113.7	D397 L398 L403	D397-S401 PolarHBondContact O-N 3.39Å; D397-S401 VanDerWaalsContact O-N 3.08Å; D397-S401 PolarHBondContact O-OG 2.83Å; L398-S401 WeakPolarHBondContact CA-OG 3.2Å; L398-S401 PolarHBondContact O-N 3.32Å; L398-S401 PolarHBondContact O-OG 3.29Å; L398-S401 VanDerWaalsContact O-OG 3.06Å; S401-L403 PolarHBondContact O-N 3.44Å; S401-L403 VanDerWaalsContact O-N 3.17Å
402	N	72.6	Confident	78.2	Confident	98 Å²	98	48.4 Å²	48.4	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	7.6	179.5	-71.6	-24.4	0	0	0	114.1	L398 H404	L398-N402 VanDerWaalsContact O-CB 3.31Å; L398-N402 WeakPolarHBondContact O-CB 3.27Å; L398-N402 VanDerWaalsContact O-CG 3.25Å; L398-N402 PolarHBondContact O-N 2.96Å; L398-N402 PolarHBondContact O-ND2 2.79Å; N402-H404 PolarHBondContact O-N 2.82Å
403	L	58.8	Low	77.6	Confident	156 Å²	156	48.7 Å²	48.7	82%	0.817	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	29.8	-178.4	-93	88.7	0	0	0	113.6	E400 S401 S405	E400-L403 PolarHBondContact O-N 3.49Å; S401-L403 PolarHBondContact O-N 3.44Å; S401-L403 VanDerWaalsContact O-N 3.17Å; L403-S405 PolarHBondContact O-N 3.34Å
404	H	61.6	Low	77.2	Confident	64 Å²	64	52.9 Å²	52.9	30%	0.296	27%	0.272	S	S	.	.			trans	-60	138.4	165.4	-72.9	-68	0	0	0	108.8	N402 P406	N402-H404 PolarHBondContact O-N 2.82Å; H404-P406 WeakPolarHBondContact O-CD 3.25Å
405	S	62.6	Low	76.6	Confident	57 Å²	57	54 Å²	54	40%	0.399	28%	0.284	S	S	.	.			trans	-48.9	115.4	-178.5	51	0	0	0	0	110.1	L403 D407 R408	L403-S405 PolarHBondContact O-N 3.34Å; S405-D407 PolarHBondContact O-N 3.42Å; S405-D407 VanDerWaalsContact O-N 3.1Å; S405-R408 WeakPolarHBondContact O-CB 3.3Å; S405-R408 PolarHBondContact O-N 3.44Å; S405-R408 WeakPolarHBondContact OG-CB 3.27Å
406	P	69.6	Low	76.3	Confident	50 Å²	50	58.3 Å²	58.3	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-57.5	-28.7	-179.4	21.6	-32.6	0	0	0	111.5	H404 R408 I409 R410 L455	H404-P406 WeakPolarHBondContact O-CD 3.25Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 2.96Å; P406-I409 PolarHBondContact O-N 2.78Å; P406-R410 WeakPolarHBondContact O-CB 3.29Å; P406-R410 PolarHBondContact O-N 3.42Å; P406-L455 HydrophobicContact CB-CD2 4.04Å
407	D	75.9	Confident	76	Confident	88 Å²	88	60.4 Å²	60.4	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-32.6	172.5	-64.5	-42.6	0	0	0	113.8	S405 R410 Q411	S405-D407 PolarHBondContact O-N 3.42Å; S405-D407 VanDerWaalsContact O-N 3.1Å; D407-R410 WeakPolarHBondContact O-CB 3.48Å; D407-R410 PolarHBondContact O-N 2.84Å; D407-R410 IonicContact OD1-NH1 3.01Å; D407-Q411 VanDerWaalsContact O-CG 3.25Å; D407-Q411 WeakPolarHBondContact O-CG 3.31Å; D407-Q411 PolarHBondContact O-N 2.91Å
408	R	76.2	Confident	75.8	Confident	69 Å²	69	61.1 Å²	61.1	26%	0.26	32%	0.316	S	S	.	.	H	α-helix	trans	-74.6	-42.4	178.5	-171.4	-178.1	-119.8	-176.3	-4.8	111.1	D369 E371 S405 P406 R410 Q411 I412 L417	D369-R408 IonicContact OD1-NH1 3.94Å; D369-R408 PolarHBondContact OD1-NH1 2.69Å; E371-R408 IonicContact OE1-CZ 2.83Å; E371-R408 IonicContact OE1-NH2 3.42Å; E371-R408 PolarHBondContact OE1-NH2 2.77Å; S405-R408 WeakPolarHBondContact O-CB 3.3Å; S405-R408 PolarHBondContact O-N 3.44Å; S405-R408 WeakPolarHBondContact OG-CB 3.27Å; P406-R408 VanDerWaalsContact C-N 3.28Å; P406-R408 PolarHBondContact O-N 2.96Å; R408-R410 VanDerWaalsContact C-N 3.25Å; R408-R410 PolarHBondContact O-N 2.86Å; R408-Q411 PolarHBondContact O-N 3.23Å; R408-Q411 VanDerWaalsContact O-N 3.14Å; R408-I412 WeakPolarHBondContact O-CG1 3.33Å; R408-I412 PolarHBondContact O-N 2.96Å; R408-L417 HydrophobicContact CG-CD2 4.32Å
409	I	78.1	Confident	75.5	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.036	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-41	172.8	-61.8	173.1	0	0	0	109.7	L393 A399 P406 I412 L413 L455	L393-I409 HydrophobicContact CD2-CG2 4.12Å; A399-I409 HydrophobicContact CB-CD1 3.7Å; P406-I409 PolarHBondContact O-N 2.78Å; I409-I412 PolarHBondContact O-N 2.89Å; I409-L413 HydrophobicContact CG2-CD1 3.67Å; I409-L413 WeakPolarHBondContact O-CG 3.45Å; I409-L413 PolarHBondContact O-N 3.37Å; I409-L455 HydrophobicContact CB-CD2 4.47Å; I409-L455 HydrophobicContact CD1-CD1 4.26Å; I409-L455 HydrophobicContact CD1-CD2 4.17Å; I409-L455 HydrophobicContact CG2-CD1 4.4Å; I409-L455 HydrophobicContact CG2-CD2 4.37Å
410	R	77.4	Confident	75.6	Confident	64 Å²	64	63.3 Å²	63.3	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-56.5	-51.2	170.8	-177.5	174	-57.9	162.7	1.1	111.8	P406 D407 R408 I412 L413 E414 E458 T460	P406-R410 WeakPolarHBondContact O-CB 3.29Å; P406-R410 PolarHBondContact O-N 3.42Å; D407-R410 WeakPolarHBondContact O-CB 3.48Å; D407-R410 PolarHBondContact O-N 2.84Å; D407-R410 IonicContact OD1-NH1 3.01Å; R408-R410 VanDerWaalsContact C-N 3.25Å; R408-R410 PolarHBondContact O-N 2.86Å; R410-I412 VanDerWaalsContact C-N 3.3Å; R410-I412 PolarHBondContact O-N 2.95Å; R410-L413 PolarHBondContact O-N 3.41Å; R410-E414 HydrophobicContact CG-CG 4.14Å; R410-E414 VanDerWaalsContact CG-OE1 3.3Å; R410-E414 WeakPolarHBondContact CG-OE1 3.32Å; R410-E414 WeakPolarHBondContact O-CB 3.29Å; R410-E414 VanDerWaalsContact O-CG 3.29Å; R410-E414 WeakPolarHBondContact O-CG 3.45Å; R410-E414 PolarHBondContact O-N 2.83Å; R410-E458 IonicContact NH2-OE2 3.65Å; R410-T460 HydrophobicContact CB-CG2 3.39Å; R410-T460 HydrophobicContact CG-CG2 3.59Å; R410-T460 PolarHBondContact NE-OG1 2.65Å; R410-T460 PolarHBondContact NH2-OG1 3.14Å
411	Q	81.2	Confident	75.9	Confident	85 Å²	85	67.8 Å²	67.8	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-35.1	179.8	-74.4	172	18.7	0	0	113.3	D407 R408 G415 K416 L417	D407-Q411 VanDerWaalsContact O-CG 3.25Å; D407-Q411 WeakPolarHBondContact O-CG 3.31Å; D407-Q411 PolarHBondContact O-N 2.91Å; R408-Q411 PolarHBondContact O-N 3.23Å; R408-Q411 VanDerWaalsContact O-N 3.14Å; Q411-G415 PolarHBondContact O-N 3.33Å; Q411-K416 PolarHBondContact O-N 3.44Å; Q411-L417 HydrophobicContact CB-CB 4.13Å; Q411-L417 HydrophobicContact CB-CD1 4.47Å; Q411-L417 PolarHBondContact O-N 2.9Å; Q411-L417 VanDerWaalsContact O-N 3.09Å
412	I	82.5	Confident	76.3	Confident	10 Å²	10	65 Å²	65	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-49.7	174.3	-66.6	166.9	0	0	0	110	A370 F391 L393 R408 I409 R410 G415 L417 Y425	A370-I412 HydrophobicContact CB-CD1 3.84Å; A370-I412 HydrophobicContact CB-CG1 4.48Å; F391-I412 HydrophobicContact CD1-CG2 4.34Å; F391-I412 HydrophobicContact CE1-CG2 3.43Å; F391-I412 VanDerWaalsContact CE1-CG2 3.43Å; F391-I412 HydrophobicContact CZ-CG2 3.89Å; L393-I412 HydrophobicContact CD1-CG2 4.46Å; L393-I412 HydrophobicContact CD2-CG2 4.45Å; R408-I412 WeakPolarHBondContact O-CG1 3.33Å; R408-I412 PolarHBondContact O-N 2.96Å; I409-I412 PolarHBondContact O-N 2.89Å; R410-I412 VanDerWaalsContact C-N 3.3Å; R410-I412 PolarHBondContact O-N 2.95Å; I412-G415 PolarHBondContact O-N 2.75Å; I412-L417 HydrophobicContact CD1-CD2 3.89Å; I412-L417 HydrophobicContact CG1-CB 4.04Å; I412-L417 HydrophobicContact CG1-CD2 3.34Å; I412-L417 HydrophobicContact CG1-CG 4.3Å; I412-Y425 VanDerWaalsContact O-CD1 3.22Å; I412-Y425 WeakPolarHBondContact O-CD1 3.27Å; I412-Y425 WeakPolarHBondContact O-CE1 3.3Å
413	L	79.1	Confident	76.9	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-78.3	-19.9	-173.6	-64.9	167.4	0	0	0	113.2	L393 I409 R410 G415 Y425 A427 L461	L393-L413 HydrophobicContact CB-CD2 4.27Å; L393-L413 HydrophobicContact CD2-CD1 4.29Å; L393-L413 HydrophobicContact CD2-CD2 4.44Å; L393-L413 HydrophobicContact CD2-CG 4.42Å; I409-L413 HydrophobicContact CG2-CD1 3.67Å; I409-L413 WeakPolarHBondContact O-CG 3.45Å; I409-L413 PolarHBondContact O-N 3.37Å; R410-L413 PolarHBondContact O-N 3.41Å; L413-G415 VanDerWaalsContact C-N 3.28Å; L413-Y425 WeakPolarHBondContact O-CB 3.5Å; L413-A427 HydrophobicContact CD1-CB 4.14Å; L413-A427 HydrophobicContact CD2-CB 4.44Å; L413-L461 HydrophobicContact CB-CD2 3.76Å; L413-L461 HydrophobicContact CD1-CD1 3.97Å; L413-L461 HydrophobicContact CD1-CD2 3.3Å; L413-L461 HydrophobicContact CD1-CG 4.17Å; L413-L461 HydrophobicContact CG-CD2 4.04Å
414	E	81	Confident	78.3	Confident	89 Å²	89	57.7 Å²	57.7	42%	0.416	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.6	165.7	-71.4	-178.9	176.7	0	0	112.9	R410 K416	R410-E414 HydrophobicContact CG-CG 4.14Å; R410-E414 VanDerWaalsContact CG-OE1 3.3Å; R410-E414 WeakPolarHBondContact CG-OE1 3.32Å; R410-E414 WeakPolarHBondContact O-CB 3.29Å; R410-E414 VanDerWaalsContact O-CG 3.29Å; R410-E414 WeakPolarHBondContact O-CG 3.45Å; R410-E414 PolarHBondContact O-N 2.83Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 HydrophobicContact CB-CD 4.28Å; E414-K416 HydrophobicContact CB-CG 4.13Å; E414-K416 PolarHBondContact O-N 2.8Å; E414-K416 VanDerWaalsContact OE2-CD 3.31Å; E414-K416 WeakPolarHBondContact OE2-CD 3.29Å; E414-K416 WeakPolarHBondContact OE2-CE 3.45Å; E414-K416 IonicContact OE2-NZ 3.71Å; E414-K416 PolarHBondContact OE2-NZ 3.04Å
415	G	79.2	Confident	79.6	Confident	23 Å²	23	55.9 Å²	55.9	24%	0.237	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	22.5	-177.1	0	0	0	0	0	114.3	Q411 I412 L413 Y425	Q411-G415 PolarHBondContact O-N 3.33Å; I412-G415 PolarHBondContact O-N 2.75Å; L413-G415 VanDerWaalsContact C-N 3.28Å; G415-Y425 WeakPolarHBondContact CA-OH 3.49Å
416	K	82.1	Confident	81	Confident	148 Å²	148	54 Å²	54	64%	0.643	28%	0.276	S	S	*	.			trans	-93.6	-23.4	-179.7	-68.2	-179.3	-175	160	0	113.5	Q411 E414	Q411-K416 PolarHBondContact O-N 3.44Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 HydrophobicContact CB-CD 4.28Å; E414-K416 HydrophobicContact CB-CG 4.13Å; E414-K416 PolarHBondContact O-N 2.8Å; E414-K416 VanDerWaalsContact OE2-CD 3.31Å; E414-K416 WeakPolarHBondContact OE2-CD 3.29Å; E414-K416 WeakPolarHBondContact OE2-CE 3.45Å; E414-K416 IonicContact OE2-NZ 3.71Å; E414-K416 PolarHBondContact OE2-NZ 3.04Å
417	L	78.2	Confident	81.9	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	26%	0.261	C	S	.	.	S	Bend	trans	-71.2	-42.5	-175	-169.7	71.5	0	0	0	112.3	A370 R408 Q411 I412	A370-L417 HydrophobicContact CB-CD2 3.76Å; R408-L417 HydrophobicContact CG-CD2 4.32Å; Q411-L417 HydrophobicContact CB-CB 4.13Å; Q411-L417 HydrophobicContact CB-CD1 4.47Å; Q411-L417 PolarHBondContact O-N 2.9Å; Q411-L417 VanDerWaalsContact O-N 3.09Å; I412-L417 HydrophobicContact CD1-CD2 3.89Å; I412-L417 HydrophobicContact CG1-CB 4.04Å; I412-L417 HydrophobicContact CG1-CD2 3.34Å; I412-L417 HydrophobicContact CG1-CG 4.3Å
418	F	79.7	Confident	82.6	Confident	32 Å²	32	47.5 Å²	47.5	14%	0.14	24%	0.238	C	C	.	.	S	Bend	trans	-106.3	149.3	-174.4	-64.5	-63.6	0	0	0	112.1	A370 T376 M420	A370-F418 HydrophobicContact CB-CE1 4.16Å; A370-F418 HydrophobicContact CB-CE2 3.83Å; A370-F418 HydrophobicContact CB-CZ 3.24Å; A370-F418 VanDerWaalsContact O-CZ 3.32Å; A370-F418 WeakPolarHBondContact O-CZ 3.26Å; T376-F418 HydrophobicContact CG2-CE1 4.46Å; T376-F418 HydrophobicContact CG2-CE2 4.31Å; T376-F418 HydrophobicContact CG2-CZ 4.23Å; F418-M420 HydrophobicContact CB-CB 4.37Å; F418-M420 PolarHBondContact O-N 2.88Å
419	P	76.4	Confident	83.3	Confident	116 Å²	116	44.2 Å²	44.2	75%	0.753	23%	0.226	S	C	*	.	S	Bend	trans	-65.6	-19	170.6	28.3	-34.4	0	0	0	112.4
420	M	82.1	Confident	83.6	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.02	23%	0.228	C	C	.	.			trans	-72	125.6	176.9	-172.8	-160.8	72.5	0	0	111.1	V379 T389 F391 F418 Y425	V379-M420 HydrophobicContact CB-SD 4Å; V379-M420 HydrophobicContact CG1-SD 3.69Å; T389-M420 HydrophobicContact CG2-CE 4.49Å; T389-M420 HydrophobicContact CG2-SD 4.35Å; F391-M420 HydrophobicContact CD2-CE 3.77Å; F391-M420 HydrophobicContact CE2-CE 4.43Å; F391-M420 HydrophobicContact CG-CE 4.48Å; F418-M420 HydrophobicContact CB-CB 4.37Å; F418-M420 PolarHBondContact O-N 2.88Å; M420-Y425 PolarHBondContact O-OH 3.11Å
421	K	82.9	Confident	83.8	Confident	139 Å²	139	42.1 Å²	42.1	60%	0.604	22%	0.222	S	C	*	.			trans	-91.7	148.3	172	-64.4	-179.1	-179	178.2	0	110.3	G386	G386-K421 WeakPolarHBondContact CA-O 3.4Å
422	A	86.2	Confident	83.5	Confident	17 Å²	17	44.8 Å²	44.8	14%	0.14	23%	0.233	C	C	.	.			trans	-132.5	153.7	170.8	0	0	0	0	0	110	T389 F391 G424 Y425	T389-A422 HydrophobicContact CG2-CB 4.3Å; T389-A422 CarbonylContact O-C 3.59Å; T389-A422 WeakPolarHBondContact O-CA 3.33Å; T389-A422 WeakPolarHBondContact O-CB 3.28Å; F391-A422 HydrophobicContact CB-CB 3.93Å; A422-G424 PolarHBondContact O-N 2.69Å; A422-Y425 HydrophobicContact CB-CE1 4.11Å; A422-Y425 HydrophobicContact CB-CE2 3.97Å; A422-Y425 PolarHBondContact N-OH 2.95Å; A422-Y425 VanDerWaalsContact N-OH 3.13Å
423	L	84.8	Confident	82.9	Confident	83 Å²	83	47.6 Å²	47.6	44%	0.435	26%	0.264	S	S	.	.	S	Bend	trans	-61.6	-32.9	172.8	-71.4	177.5	0	0	0	112.3	G386 K387 T389 R478	G386-L423 PolarHBondContact O-N 3.4Å; K387-L423 VanDerWaalsContact O-CD1 3.29Å; K387-L423 WeakPolarHBondContact O-CD1 3.41Å; K387-L423 WeakPolarHBondContact O-CD2 3.48Å; T389-L423 PolarHBondContact O-N 2.88Å; L423-R478 HydrophobicContact CD1-CG 4.21Å
424	G	87.2	Confident	82.5	Confident	17 Å²	17	51.1 Å²	51.1	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	145.6	-177.6	0	0	0	0	0	110.7	F391 A422	F391-G424 PolarHBondContact N-O 3.3Å; A422-G424 PolarHBondContact O-N 2.69Å
425	Y	89.7	Confident	81.9	Confident	26 Å²	26	52.7 Å²	52.7	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.3	176.7	-63	-97.6	0	0	0	107.6	F391 I412 L413 G415 M420 A422 Q465	F391-Y425 HydrophobicContact CB-CD1 3.74Å; F391-Y425 HydrophobicContact CB-CE1 4.04Å; F391-Y425 HydrophobicContact CB-CG 4.42Å; F391-Y425 AromaticContact CD1-CD1 3.66Å; F391-Y425 HydrophobicContact CD1-CD1 3.66Å; F391-Y425 HydrophobicContact CD1-CE1 4.31Å; F391-Y425 AromaticContact CG-CD1 3.92Å; F391-Y425 HydrophobicContact CG-CD1 3.92Å; F391-Y425 HydrophobicContact CG-CE1 4.22Å; F391-Y425 CarbonylContact O-C 3.58Å; F391-Y425 WeakPolarHBondContact O-CA 3.32Å; I412-Y425 VanDerWaalsContact O-CD1 3.22Å; I412-Y425 WeakPolarHBondContact O-CD1 3.27Å; I412-Y425 WeakPolarHBondContact O-CE1 3.3Å; L413-Y425 WeakPolarHBondContact O-CB 3.5Å; G415-Y425 WeakPolarHBondContact CA-OH 3.49Å; M420-Y425 PolarHBondContact O-OH 3.11Å; A422-Y425 HydrophobicContact CB-CE1 4.11Å; A422-Y425 HydrophobicContact CB-CE2 3.97Å; A422-Y425 PolarHBondContact N-OH 2.95Å; A422-Y425 VanDerWaalsContact N-OH 3.13Å; Y425-Q465 WeakPolarHBondContact O-CB 3.33Å; Y425-Q465 WeakPolarHBondContact O-CG 3.36Å; Y425-Q465 PolarHBondContact O-NE2 3.22Å
426	F	91.1	Very high	81.5	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.6	-177.2	-65.4	-92	0	0	0	111.4	I390 F391 V392 L393 S464 Q465 L471 A474	I390-F426 HydrophobicContact CG2-CD2 3.66Å; I390-F426 HydrophobicContact CG2-CE2 3.73Å; F391-F426 PolarHBondContact O-N 3.39Å; V392-F426 CarbonylContact C-O 3.59Å; V392-F426 WeakPolarHBondContact CA-O 3.45Å; L393-F426 PolarHBondContact N-O 3.23Å; F426-S464 WeakPolarHBondContact CE1-O 3.47Å; F426-Q465 CarbonylContact C-O 3.48Å; F426-Q465 WeakPolarHBondContact CA-O 3.45Å; F426-L471 HydrophobicContact CB-CD1 4Å; F426-L471 HydrophobicContact CD1-CB 4.19Å; F426-L471 HydrophobicContact CD1-CD1 4.26Å; F426-L471 HydrophobicContact CD2-CD1 3.65Å; F426-L471 HydrophobicContact CE2-CD1 4.18Å; F426-L471 HydrophobicContact CG-CB 4.35Å; F426-L471 HydrophobicContact CG-CD1 3.7Å; F426-A474 HydrophobicContact CE1-CB 4Å; F426-A474 HydrophobicContact CE2-CB 4.26Å; F426-A474 HydrophobicContact CZ-CB 3.42Å; F426-A474 VanDerWaalsContact CZ-CB 3.42Å
427	A	89.3	Confident	81.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.8	171.6	0	0	0	0	0	109.4	L393 V396 L413 F450 L461 Q465 M466 T467	L393-A427 WeakPolarHBondContact O-CA 3.41Å; V396-A427 HydrophobicContact CG1-CB 4.06Å; L413-A427 HydrophobicContact CD1-CB 4.14Å; L413-A427 HydrophobicContact CD2-CB 4.44Å; A427-F450 HydrophobicContact CB-CE1 4.15Å; A427-F450 HydrophobicContact CB-CZ 4.13Å; A427-F450 VanDerWaalsContact O-CZ 3.23Å; A427-F450 WeakPolarHBondContact O-CZ 3.23Å; A427-L461 HydrophobicContact CB-CD1 4.38Å; A427-Q465 PolarHBondContact N-O 2.93Å; A427-M466 WeakPolarHBondContact O-CA 3.47Å; A427-T467 PolarHBondContact O-N 3.25Å
428	V	91	Very high	81.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.			trans	-136	152	-176.8	-59.1	0	0	0	0	112.1	V231 V392 L393 T394 T430 E446 L471	V231-V428 HydrophobicContact CG2-CG2 4.17Å; V392-V428 HydrophobicContact CG1-CG1 4.22Å; V392-V428 HydrophobicContact CG1-CG2 3.49Å; V392-V428 VanDerWaalsContact CG1-CG2 3.49Å; L393-V428 PolarHBondContact O-N 2.98Å; T394-V428 WeakPolarHBondContact CA-O 3.13Å; T394-V428 HydrophobicContact CG2-CG2 3.85Å; V428-T430 HydrophobicContact CG2-CG2 4.36Å; V428-E446 WeakPolarHBondContact CA-OE1 3.42Å; V428-L471 HydrophobicContact CG1-CB 4.35Å; V428-L471 HydrophobicContact CG1-CD2 3.94Å
429	V	89.7	Confident	81.7	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.			trans	-123.2	117.1	175.4	-179.5	0	0	0	0	108.7	V396 D397 Y445 E446 F449 F450	V396-V429 HydrophobicContact CG2-CG2 3.48Å; V396-V429 VanDerWaalsContact CG2-CG2 3.48Å; D397-V429 HydrophobicContact CB-CG1 4.45Å; D397-V429 HydrophobicContact CB-CG2 4.41Å; V429-Y445 HydrophobicContact CG1-CD1 3.79Å; V429-Y445 HydrophobicContact CG1-CE1 3.6Å; V429-E446 HydrophobicContact CB-CB 4.23Å; V429-E446 HydrophobicContact CB-CG 4.09Å; V429-E446 PolarHBondContact N-OE1 3.43Å; V429-F449 HydrophobicContact CG2-CD1 3.64Å; V429-F449 HydrophobicContact CG2-CE1 3.97Å; V429-F449 HydrophobicContact CG2-CG 4.29Å; V429-F450 HydrophobicContact CG2-CE2 4.15Å; V429-F450 HydrophobicContact CG2-CZ 4.12Å
430	T	85.1	Confident	82.2	Confident	15 Å²	15	52.8 Å²	52.8	9%	0.092	29%	0.293	C	S	.	.			trans	-102.6	19.2	-171.1	58.7	0	0	0	0	114.3	V231 M234 R239 V428 I442	V231-T430 HydrophobicContact CG2-CG2 3.86Å; M234-T430 HydrophobicContact CG-CG2 4.13Å; R239-T430 PolarHBondContact NH2-O 3.49Å; V428-T430 HydrophobicContact CG2-CG2 4.36Å; T430-I442 VanDerWaalsContact C-CG2 3.4Å
431	G	81.8	Confident	82.4	Confident	11 Å²	11	54.8 Å²	54.8	11%	0.113	31%	0.308	C	S	.	.			trans	119.4	175.4	178.2	0	0	0	0	0	113	G433 E437 I442	G431-G433 VanDerWaalsContact C-N 3.27Å; G431-G433 PolarHBondContact O-N 2.93Å; G431-E437 WeakPolarHBondContact CA-OE2 3.49Å; G431-I442 VanDerWaalsContact N-CG2 3.34Å
432	K	73.5	Confident	82.5	Confident	141 Å²	141	48.2 Å²	48.2	61%	0.613	28%	0.279	S	S	*	.	S	Bend	trans	-85.6	1.2	-177.7	-56.6	172.9	-180	172.6	0	113.3	E437 Y445	K432-E437 WeakPolarHBondContact CB-OE1 3.23Å; K432-E437 PolarHBondContact N-OE2 3.43Å; K432-Y445 HydrophobicContact CD-CD2 4.4Å; K432-Y445 HydrophobicContact CD-CE2 4.28Å; K432-Y445 HydrophobicContact CG-CD1 3.93Å; K432-Y445 HydrophobicContact CG-CD2 4.31Å; K432-Y445 HydrophobicContact CG-CE1 3.66Å; K432-Y445 HydrophobicContact CG-CE2 4.1Å; K432-Y445 HydrophobicContact CG-CG 4.23Å
433	G	70	Confident	82.5	Confident	69 Å²	69	50 Å²	50	71%	0.711	28%	0.284	S	S	*	.	S	Bend	trans	95.9	0.5	-179.5	0	0	0	0	0	114.9	G431	G431-G433 VanDerWaalsContact C-N 3.27Å; G431-G433 PolarHBondContact O-N 2.93Å
434	T	71.3	Confident	82.6	Confident	80 Å²	80	52.1 Å²	52.1	49%	0.491	29%	0.291	S	S	.	.			trans	-74.5	145.3	175.2	-35.6	0	0	0	0	110.6	E437	T434-E437 WeakPolarHBondContact CB-OE1 3.21Å; T434-E437 PolarHBondContact N-OE1 2.81Å; T434-E437 PolarHBondContact OG1-OE1 2.79Å
435	K	68.7	Low	82.7	Confident	123 Å²	123	54.3 Å²	54.3	54%	0.535	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-37.6	-176.5	-69.6	-172.8	179.8	-176.1	0	113.2
436	D	70.4	Confident	82.7	Confident	146 Å²	146	53.3 Å²	53.3	78%	0.781	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	22.3	-167.5	-51.9	-38.6	0	0	0	113.3	S438	D436-S438 PolarHBondContact O-N 3.47Å
437	E	78.5	Confident	82.4	Confident	28 Å²	28	56.9 Å²	56.9	13%	0.131	31%	0.308	C	S	.	.			trans	-70.3	126.2	173.2	-82.9	165.2	-150.3	0	0	111.1	R239 G431 K432 T434 I442	R239-E437 PolarHBondContact NE-O 2.87Å; G431-E437 WeakPolarHBondContact CA-OE2 3.49Å; K432-E437 WeakPolarHBondContact CB-OE1 3.23Å; K432-E437 PolarHBondContact N-OE2 3.43Å; T434-E437 WeakPolarHBondContact CB-OE1 3.21Å; T434-E437 PolarHBondContact N-OE1 2.81Å; T434-E437 PolarHBondContact OG1-OE1 2.79Å; E437-I442 HydrophobicContact CB-CD1 3.95Å; E437-I442 HydrophobicContact CB-CG1 4Å
438	S	82.6	Confident	82.3	Confident	67 Å²	67	59.9 Å²	59.9	47%	0.469	32%	0.324	S	S	.	.			trans	-69.7	149.6	172.6	69.3	0	0	0	0	111.1	D436 D440 S441 I442	D436-S438 PolarHBondContact O-N 3.47Å; S438-D440 PolarHBondContact O-N 2.66Å; S438-S441 PolarHBondContact N-OG 3.39Å; S438-S441 PolarHBondContact O-N 2.91Å; S438-S441 VanDerWaalsContact O-N 3.14Å; S438-S441 PolarHBondContact O-OG 3.49Å; S438-S441 WeakPolarHBondContact OG-CB 3.46Å; S438-S441 PolarHBondContact OG-N 3.4Å; S438-S441 PolarHBondContact OG-OG 3.39Å; S438-I442 VanDerWaalsContact O-CD1 3.25Å; S438-I442 WeakPolarHBondContact O-CD1 3.24Å; S438-I442 WeakPolarHBondContact O-CG1 3.1Å; S438-I442 PolarHBondContact O-N 3.36Å
439	I	84.3	Confident	82	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-38.3	179.9	-66.1	-69.1	0	0	0	111.9	M234 Q237 R239 I442 K443	M234-I439 HydrophobicContact SD-CD1 3.78Å; M234-I439 HydrophobicContact SD-CG2 4.45Å; Q237-I439 HydrophobicContact CB-CG2 4.29Å; Q237-I439 WeakPolarHBondContact O-CG1 3.26Å; R239-I439 HydrophobicContact CG-CD1 3.97Å; R239-I439 HydrophobicContact CG-CG1 4.16Å; I439-I442 HydrophobicContact CD1-CD1 4.41Å; I439-I442 PolarHBondContact O-N 2.86Å; I439-K443 HydrophobicContact CG2-CD 4.31Å; I439-K443 HydrophobicContact CG2-CG 4.46Å; I439-K443 WeakPolarHBondContact O-CG 3.38Å; I439-K443 PolarHBondContact O-N 3.35Å
440	D	85.1	Confident	81.8	Confident	111 Å²	111	61.7 Å²	61.7	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-67.3	-39.3	179.7	-59.7	-37.7	0	0	0	112.2	S438 I442 K443 E444	S438-D440 PolarHBondContact O-N 2.66Å; D440-I442 PolarHBondContact O-N 3.46Å; D440-K443 PolarHBondContact O-N 2.85Å; D440-K443 IonicContact OD1-NZ 3.13Å; D440-E444 WeakPolarHBondContact O-CB 2.91Å; D440-E444 PolarHBondContact O-N 3.4Å
441	S	86.4	Confident	81.6	Confident	46 Å²	46	68.2 Å²	68.2	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-31	175.1	73.7	0	0	0	0	112.5	S438 Y445	S438-S441 PolarHBondContact N-OG 3.39Å; S438-S441 PolarHBondContact O-N 2.91Å; S438-S441 VanDerWaalsContact O-N 3.14Å; S438-S441 PolarHBondContact O-OG 3.49Å; S438-S441 WeakPolarHBondContact OG-CB 3.46Å; S438-S441 PolarHBondContact OG-N 3.4Å; S438-S441 PolarHBondContact OG-OG 3.39Å; S441-Y445 VanDerWaalsContact O-CB 3.3Å; S441-Y445 WeakPolarHBondContact O-CB 3.49Å; S441-Y445 PolarHBondContact O-N 2.85Å
442	I	85.8	Confident	81.6	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-78.4	-41.3	179.4	-63	149.3	0	0	0	111	M234 T430 G431 E437 S438 I439 D440 E444 Y445 E446	M234-I442 HydrophobicContact CE-CB 4.18Å; M234-I442 HydrophobicContact CE-CG2 3.62Å; M234-I442 HydrophobicContact SD-CB 4.02Å; M234-I442 HydrophobicContact SD-CD1 4.28Å; M234-I442 HydrophobicContact SD-CG2 3.5Å; M234-I442 VanDerWaalsContact SD-CG2 3.5Å; T430-I442 VanDerWaalsContact C-CG2 3.4Å; G431-I442 VanDerWaalsContact N-CG2 3.34Å; E437-I442 HydrophobicContact CB-CD1 3.95Å; E437-I442 HydrophobicContact CB-CG1 4Å; S438-I442 VanDerWaalsContact O-CD1 3.25Å; S438-I442 WeakPolarHBondContact O-CD1 3.24Å; S438-I442 WeakPolarHBondContact O-CG1 3.1Å; S438-I442 PolarHBondContact O-N 3.36Å; I439-I442 HydrophobicContact CD1-CD1 4.41Å; I439-I442 PolarHBondContact O-N 2.86Å; D440-I442 PolarHBondContact O-N 3.46Å; I442-E444 VanDerWaalsContact C-N 3.32Å; I442-Y445 PolarHBondContact O-N 3.17Å; I442-E446 WeakPolarHBondContact O-CB 3.43Å; I442-E446 PolarHBondContact O-N 3.31Å
443	K	86.3	Confident	81.7	Confident	55 Å²	55	67.2 Å²	67.2	24%	0.239	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-46.9	173.2	-72	174.6	-179.1	167.5	0	110.5	M234 I439 D440 Y445 E446 E447	M234-K443 HydrophobicContact CE-CG 3.83Å; I439-K443 HydrophobicContact CG2-CD 4.31Å; I439-K443 HydrophobicContact CG2-CG 4.46Å; I439-K443 WeakPolarHBondContact O-CG 3.38Å; I439-K443 PolarHBondContact O-N 3.35Å; D440-K443 PolarHBondContact O-N 2.85Å; D440-K443 IonicContact OD1-NZ 3.13Å; K443-Y445 VanDerWaalsContact C-N 3.32Å; K443-Y445 PolarHBondContact O-N 2.86Å; K443-E446 PolarHBondContact O-N 3.07Å; K443-E447 WeakPolarHBondContact O-CG 3.42Å; K443-E447 PolarHBondContact O-N 3.01Å
444	E	87.1	Confident	81.7	Confident	127 Å²	127	72.5 Å²	72.5	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-62.1	-41.4	177	-172.3	-178.7	-177.5	0	0	111.5	D440 I442 N448	D440-E444 WeakPolarHBondContact O-CB 2.91Å; D440-E444 PolarHBondContact O-N 3.4Å; I442-E444 VanDerWaalsContact C-N 3.32Å; E444-N448 VanDerWaalsContact O-CB 3.26Å; E444-N448 WeakPolarHBondContact O-CB 3.5Å; E444-N448 PolarHBondContact O-N 3.27Å; E444-N448 PolarHBondContact O-ND2 3.07Å; E444-N448 VanDerWaalsContact O-ND2 3.13Å
445	Y	89.1	Confident	81.4	Confident	62 Å²	62	68.9 Å²	68.9	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-44.8	175.2	179.6	-113.9	0	0	0	112.7	V429 K432 S441 I442 K443 N448 F449	V429-Y445 HydrophobicContact CG1-CD1 3.79Å; V429-Y445 HydrophobicContact CG1-CE1 3.6Å; K432-Y445 HydrophobicContact CD-CD2 4.4Å; K432-Y445 HydrophobicContact CD-CE2 4.28Å; K432-Y445 HydrophobicContact CG-CD1 3.93Å; K432-Y445 HydrophobicContact CG-CD2 4.31Å; K432-Y445 HydrophobicContact CG-CE1 3.66Å; K432-Y445 HydrophobicContact CG-CE2 4.1Å; K432-Y445 HydrophobicContact CG-CG 4.23Å; S441-Y445 VanDerWaalsContact O-CB 3.3Å; S441-Y445 WeakPolarHBondContact O-CB 3.49Å; S441-Y445 PolarHBondContact O-N 2.85Å; I442-Y445 PolarHBondContact O-N 3.17Å; K443-Y445 VanDerWaalsContact C-N 3.32Å; K443-Y445 PolarHBondContact O-N 2.86Å; Y445-N448 PolarHBondContact O-N 3.42Å; Y445-F449 VanDerWaalsContact O-CB 3.28Å; Y445-F449 WeakPolarHBondContact O-CB 3.28Å; Y445-F449 PolarHBondContact O-N 3.22Å
446	E	89.4	Confident	81.1	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.028	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-48.3	177.2	-179.1	175.5	-128	0	0	111	V428 V429 I442 K443 F449 F450 T467 T468	V428-E446 WeakPolarHBondContact CA-OE1 3.42Å; V429-E446 HydrophobicContact CB-CB 4.23Å; V429-E446 HydrophobicContact CB-CG 4.09Å; V429-E446 PolarHBondContact N-OE1 3.43Å; I442-E446 WeakPolarHBondContact O-CB 3.43Å; I442-E446 PolarHBondContact O-N 3.31Å; K443-E446 PolarHBondContact O-N 3.07Å; E446-F449 PolarHBondContact O-N 3.1Å; E446-F450 HydrophobicContact CG-CD2 3.71Å; E446-F450 HydrophobicContact CG-CE2 3.55Å; E446-F450 VanDerWaalsContact O-CD2 3.22Å; E446-F450 WeakPolarHBondContact O-CD2 3.44Å; E446-F450 PolarHBondContact O-N 2.76Å; E446-T467 WeakPolarHBondContact OE1-CA 3.07Å; E446-T468 VanDerWaalsContact CD-N 3.33Å; E446-T468 PolarHBondContact OE1-N 3.16Å; E446-T468 VanDerWaalsContact OE1-N 3.08Å; E446-T468 PolarHBondContact OE1-OG1 3.07Å; E446-T468 PolarHBondContact OE2-N 3Å; E446-T468 PolarHBondContact OE2-OG1 2.65Å
447	E	86	Confident	80.8	Confident	93 Å²	93	66.8 Å²	66.8	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-44.9	177.1	-74.3	-172.5	-161.3	0	0	112.1	K443 F449 R451	K443-E447 WeakPolarHBondContact O-CG 3.42Å; K443-E447 PolarHBondContact O-N 3.01Å; E447-F449 VanDerWaalsContact C-N 3.33Å; E447-F449 PolarHBondContact O-N 2.84Å; E447-R451 WeakPolarHBondContact O-CB 3.32Å; E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 3.35Å; E447-R451 IonicContact OE2-CZ 3.87Å; E447-R451 IonicContact OE2-NH2 2.68Å; E447-R451 PolarHBondContact OE2-NH2 3.43Å
448	N	86.5	Confident	80	Confident	64 Å²	64	70.4 Å²	70.4	34%	0.342	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-39	178.4	-77.3	-29.4	0	0	0	112	E444 Y445 H452	E444-N448 VanDerWaalsContact O-CB 3.26Å; E444-N448 WeakPolarHBondContact O-CB 3.5Å; E444-N448 PolarHBondContact O-N 3.27Å; E444-N448 PolarHBondContact O-ND2 3.07Å; E444-N448 VanDerWaalsContact O-ND2 3.13Å; Y445-N448 PolarHBondContact O-N 3.42Å; N448-H452 PolarHBondContact O-N 3.45Å; N448-H452 PolarHBondContact O-ND1 3.3Å
449	F	85.6	Confident	79.1	Confident	29 Å²	29	70.3 Å²	70.3	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-55.3	176.1	173.3	-99	0	0	0	111	V396 D397 E400 V429 Y445 E446 E447 R451 H452 S453	V396-F449 HydrophobicContact CG2-CE1 3.71Å; V396-F449 HydrophobicContact CG2-CZ 4.34Å; D397-F449 VanDerWaalsContact CA-CE2 3.47Å; D397-F449 VanDerWaalsContact CA-CZ 3.46Å; D397-F449 HydrophobicContact CB-CD2 3.95Å; D397-F449 HydrophobicContact CB-CE2 3.68Å; D397-F449 HydrophobicContact CB-CG 4.48Å; D397-F449 HydrophobicContact CB-CZ 3.98Å; E400-F449 HydrophobicContact CB-CZ 4.41Å; E400-F449 WeakPolarHBondContact OE2-CE2 3.39Å; E400-F449 WeakPolarHBondContact OE2-CZ 3.37Å; V429-F449 HydrophobicContact CG2-CD1 3.64Å; V429-F449 HydrophobicContact CG2-CE1 3.97Å; V429-F449 HydrophobicContact CG2-CG 4.29Å; Y445-F449 VanDerWaalsContact O-CB 3.28Å; Y445-F449 WeakPolarHBondContact O-CB 3.28Å; Y445-F449 PolarHBondContact O-N 3.22Å; E446-F449 PolarHBondContact O-N 3.1Å; E447-F449 VanDerWaalsContact C-N 3.33Å; E447-F449 PolarHBondContact O-N 2.84Å; F449-R451 VanDerWaalsContact C-N 3.28Å; F449-R451 PolarHBondContact O-N 2.8Å; F449-H452 PolarHBondContact O-N 3.41Å; F449-S453 VanDerWaalsContact O-CB 3.24Å; F449-S453 WeakPolarHBondContact O-CB 3.19Å; F449-S453 PolarHBondContact O-N 3.08Å
450	F	84.2	Confident	78	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.035	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-29.5	-178.1	-74	-61.7	0	0	0	113.2	V396 A427 V429 E446 F456 M466 T467	V396-F450 HydrophobicContact CG2-CE1 4.08Å; V396-F450 HydrophobicContact CG2-CZ 3.9Å; A427-F450 HydrophobicContact CB-CE1 4.15Å; A427-F450 HydrophobicContact CB-CZ 4.13Å; A427-F450 VanDerWaalsContact O-CZ 3.23Å; A427-F450 WeakPolarHBondContact O-CZ 3.23Å; V429-F450 HydrophobicContact CG2-CE2 4.15Å; V429-F450 HydrophobicContact CG2-CZ 4.12Å; E446-F450 HydrophobicContact CG-CD2 3.71Å; E446-F450 HydrophobicContact CG-CE2 3.55Å; E446-F450 VanDerWaalsContact O-CD2 3.22Å; E446-F450 WeakPolarHBondContact O-CD2 3.44Å; E446-F450 PolarHBondContact O-N 2.76Å; F450-F456 WeakPolarHBondContact O-CB 3.44Å; F450-M466 HydrophobicContact CB-SD 4.05Å; F450-M466 HydrophobicContact CD1-CB 3.85Å; F450-M466 HydrophobicContact CD1-SD 4.33Å; F450-M466 HydrophobicContact CD2-CB 4.19Å; F450-M466 HydrophobicContact CE1-CB 3.92Å; F450-M466 HydrophobicContact CE2-CB 4.24Å; F450-M466 HydrophobicContact CG-CB 4.01Å; F450-M466 HydrophobicContact CG-CG 4.49Å; F450-M466 HydrophobicContact CG-SD 4.29Å; F450-M466 HydrophobicContact CZ-CB 4.12Å; F450-T467 HydrophobicContact CD2-CG2 4.03Å
451	R	81.2	Confident	77.1	Confident	153 Å²	153	65.7 Å²	65.7	58%	0.577	31%	0.312	S	S	*	.	H	α-helix	trans	-65.6	-34.1	172.4	-75.6	176.7	-167.7	172.7	11.3	113.3	E447 F449	E447-R451 WeakPolarHBondContact O-CB 3.32Å; E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 3.35Å; E447-R451 IonicContact OE2-CZ 3.87Å; E447-R451 IonicContact OE2-NH2 2.68Å; E447-R451 PolarHBondContact OE2-NH2 3.43Å; F449-R451 VanDerWaalsContact C-N 3.28Å; F449-R451 PolarHBondContact O-N 2.8Å
452	H	80.8	Confident	76.5	Confident	128 Å²	128	72.3 Å²	72.3	59%	0.593	33%	0.33	S	S	*	.	H	α-helix	trans	-105.2	-14.3	-173.9	-65.5	89.7	0	0	0	114.6	N448 F449	N448-H452 PolarHBondContact O-N 3.45Å; N448-H452 PolarHBondContact O-ND1 3.3Å; F449-H452 PolarHBondContact O-N 3.41Å
453	S	76.2	Confident	76	Confident	3 Å²	3	79 Å²	79	2%	0.021	36%	0.363	C	S	.	.			trans	-60	139.8	-177.3	176.8	0	0	0	0	112.4	E400 F449 L455 F456 K457	E400-S453 VanDerWaalsContact CD-OG 3.26Å; E400-S453 PolarHBondContact OE1-OG 3Å; E400-S453 VanDerWaalsContact OE2-CB 3.32Å; E400-S453 WeakPolarHBondContact OE2-CB 3.38Å; E400-S453 PolarHBondContact OE2-OG 3.36Å; F449-S453 VanDerWaalsContact O-CB 3.24Å; F449-S453 WeakPolarHBondContact O-CB 3.19Å; F449-S453 PolarHBondContact O-N 3.08Å; S453-L455 PolarHBondContact O-N 2.72Å; S453-L455 WeakPolarHBondContact OG-CB 3.43Å; S453-L455 PolarHBondContact OG-N 3.48Å; S453-F456 PolarHBondContact O-N 3.18Å; S453-K457 PolarHBondContact O-N 3.47Å
454	R	69.2	Low	75.7	Confident	179 Å²	179	80 Å²	80	68%	0.675	38%	0.376	S	S	*	.	H	α-helix	trans	-63.2	-34.6	171.9	-61.5	-179.3	-178.9	-168.8	1.1	111.1	E400 F456 K457 E458	E400-R454 WeakPolarHBondContact OE1-CB 3.35Å; E400-R454 WeakPolarHBondContact OE1-CG 3.42Å; E400-R454 PolarHBondContact OE1-N 3.2Å; R454-F456 PolarHBondContact O-N 2.85Å; R454-K457 PolarHBondContact O-N 3.22Å; R454-E458 WeakPolarHBondContact O-CB 3.22Å; R454-E458 WeakPolarHBondContact O-CG 3.46Å; R454-E458 PolarHBondContact O-N 3.01Å
455	L	65	Low	75.5	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-37.4	177.7	-58.6	172.3	0	0	0	111.1	E400 P406 I409 S453 T460 L461	E400-L455 HydrophobicContact CB-CD1 4.31Å; P406-L455 HydrophobicContact CB-CD2 4.04Å; I409-L455 HydrophobicContact CB-CD2 4.47Å; I409-L455 HydrophobicContact CD1-CD1 4.26Å; I409-L455 HydrophobicContact CD1-CD2 4.17Å; I409-L455 HydrophobicContact CG2-CD1 4.4Å; I409-L455 HydrophobicContact CG2-CD2 4.37Å; S453-L455 PolarHBondContact O-N 2.72Å; S453-L455 WeakPolarHBondContact OG-CB 3.43Å; S453-L455 PolarHBondContact OG-N 3.48Å; L455-T460 WeakPolarHBondContact O-CB 3.43Å; L455-T460 PolarHBondContact O-N 3.5Å; L455-T460 PolarHBondContact O-OG1 3.31Å; L455-L461 HydrophobicContact CB-CD1 4.32Å
456	F	62.8	Low	75.3	Confident	75 Å²	75	73.2 Å²	73.2	33%	0.329	35%	0.347	S	S	.	.	H	α-helix	trans	-78.6	-45.7	175.6	-177.5	-117.9	0	0	0	112.8	F450 S453 R454 E458 G459 M466	F450-F456 WeakPolarHBondContact O-CB 3.44Å; S453-F456 PolarHBondContact O-N 3.18Å; R454-F456 PolarHBondContact O-N 2.85Å; F456-E458 VanDerWaalsContact C-N 3.26Å; F456-E458 PolarHBondContact O-N 3.37Å; F456-G459 PolarHBondContact O-N 3.47Å; F456-M466 HydrophobicContact CD2-CE 3.25Å; F456-M466 HydrophobicContact CD2-SD 3.83Å; F456-M466 HydrophobicContact CE2-CE 3.64Å; F456-M466 HydrophobicContact CE2-SD 3.98Å; F456-M466 HydrophobicContact CG-CE 4.24Å
457	K	63.8	Low	75.1	Confident	150 Å²	150	74 Å²	74	65%	0.652	35%	0.353	S	S	*	.	H	α-helix	trans	-62	-31.8	-177.8	-71.2	-178.4	-179.1	176	0	113.5	S453 R454 G459	S453-K457 PolarHBondContact O-N 3.47Å; R454-K457 PolarHBondContact O-N 3.22Å; K457-G459 PolarHBondContact O-N 2.73Å
458	E	63	Low	75.2	Confident	104 Å²	104	69.9 Å²	69.9	49%	0.486	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	4.4	177.7	-69.7	175.3	-172.6	0	0	113.6	R410 R454 F456 T460	R410-E458 IonicContact NH2-OE2 3.65Å; R454-E458 WeakPolarHBondContact O-CB 3.22Å; R454-E458 WeakPolarHBondContact O-CG 3.46Å; R454-E458 PolarHBondContact O-N 3.01Å; F456-E458 VanDerWaalsContact C-N 3.26Å; F456-E458 PolarHBondContact O-N 3.37Å; E458-T460 PolarHBondContact O-N 3.03Å
459	G	62.7	Low	75.2	Confident	65 Å²	65	69.9 Å²	69.9	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	11.9	178.5	0	0	0	0	0	114.2	F456 K457 L461	F456-G459 PolarHBondContact O-N 3.47Å; K457-G459 PolarHBondContact O-N 2.73Å; G459-L461 VanDerWaalsContact C-N 3.29Å; G459-L461 PolarHBondContact O-N 2.84Å
460	T	61.4	Low	75.4	Confident	15 Å²	15	71.2 Å²	71.2	9%	0.092	35%	0.351	C	S	.	.			trans	-66	-29.1	-177.9	-52.7	0	0	0	0	112.9	R410 L455 E458	R410-T460 HydrophobicContact CB-CG2 3.39Å; R410-T460 HydrophobicContact CG-CG2 3.59Å; R410-T460 PolarHBondContact NE-OG1 2.65Å; R410-T460 PolarHBondContact NH2-OG1 3.14Å; L455-T460 WeakPolarHBondContact O-CB 3.43Å; L455-T460 PolarHBondContact O-N 3.5Å; L455-T460 PolarHBondContact O-OG1 3.31Å; E458-T460 PolarHBondContact O-N 3.03Å
461	L	66.9	Low	75.7	Confident	11 Å²	11	70.8 Å²	70.8	6%	0.058	35%	0.349	C	S	.	.	S	Bend	trans	-128.5	135.8	-172	-67.7	171.3	0	0	0	112.9	L413 A427 L455 G459 M466	L413-L461 HydrophobicContact CB-CD2 3.76Å; L413-L461 HydrophobicContact CD1-CD1 3.97Å; L413-L461 HydrophobicContact CD1-CD2 3.3Å; L413-L461 HydrophobicContact CD1-CG 4.17Å; L413-L461 HydrophobicContact CG-CD2 4.04Å; A427-L461 HydrophobicContact CB-CD1 4.38Å; L455-L461 HydrophobicContact CB-CD1 4.32Å; G459-L461 VanDerWaalsContact C-N 3.29Å; G459-L461 PolarHBondContact O-N 2.84Å; L461-M466 HydrophobicContact CB-CE 3.66Å
462	R	74.2	Confident	76.1	Confident	186 Å²	186	64.4 Å²	64.4	70%	0.702	33%	0.328	S	S	*	.			trans	-74.4	142.7	169.7	-60.3	-178.5	-179	-174.5	1	109.4	S464 Q465 M466	R462-S464 PolarHBondContact O-N 2.97Å; R462-S464 VanDerWaalsContact O-N 3.08Å; R462-Q465 HydrophobicContact CB-CG 4.18Å; R462-Q465 WeakPolarHBondContact O-CB 3.33Å; R462-Q465 PolarHBondContact O-N 3.07Å; R462-M466 WeakPolarHBondContact O-CE 3.23Å
463	M	75	Confident	76.6	Confident	141 Å²	141	63.5 Å²	63.5	70%	0.695	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57.7	-26.8	177.4	-165.9	169.6	179	0	0	112.9	Q465 M466 N470	M463-Q465 VanDerWaalsContact C-N 3.31Å; M463-Q465 PolarHBondContact O-N 2.77Å; M463-M466 HydrophobicContact CG-SD 4.41Å; M463-M466 WeakPolarHBondContact O-CG 3.44Å; M463-N470 PolarHBondContact O-ND2 3.47Å
464	S	80.1	Confident	77.1	Confident	75 Å²	75	64.7 Å²	64.7	52%	0.524	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.8	-16.1	175.2	62.3	0	0	0	0	114.6	F426 R462	F426-S464 WeakPolarHBondContact CE1-O 3.47Å; R462-S464 PolarHBondContact O-N 2.97Å; R462-S464 VanDerWaalsContact O-N 3.08Å
465	Q	82.8	Confident	78.2	Confident	41 Å²	41	56.2 Å²	56.2	19%	0.192	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-94.9	-6.6	-179.4	-66.4	178.5	-72.8	0	0	112.8	Y425 F426 A427 R462 M463	Y425-Q465 WeakPolarHBondContact O-CB 3.33Å; Y425-Q465 WeakPolarHBondContact O-CG 3.36Å; Y425-Q465 PolarHBondContact O-NE2 3.22Å; F426-Q465 CarbonylContact C-O 3.48Å; F426-Q465 WeakPolarHBondContact CA-O 3.45Å; A427-Q465 PolarHBondContact N-O 2.93Å; R462-Q465 HydrophobicContact CB-CG 4.18Å; R462-Q465 WeakPolarHBondContact O-CB 3.33Å; R462-Q465 PolarHBondContact O-N 3.07Å; M463-Q465 VanDerWaalsContact C-N 3.31Å; M463-Q465 PolarHBondContact O-N 2.77Å
466	M	83.9	Confident	79.2	Confident	7 Å²	7	56.1 Å²	56.1	3%	0.034	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-109.7	159	-179	58.3	-169.8	69.4	0	0	111	A427 F450 F456 L461 R462 M463 N470	A427-M466 WeakPolarHBondContact O-CA 3.47Å; F450-M466 HydrophobicContact CB-SD 4.05Å; F450-M466 HydrophobicContact CD1-CB 3.85Å; F450-M466 HydrophobicContact CD1-SD 4.33Å; F450-M466 HydrophobicContact CD2-CB 4.19Å; F450-M466 HydrophobicContact CE1-CB 3.92Å; F450-M466 HydrophobicContact CE2-CB 4.24Å; F450-M466 HydrophobicContact CG-CB 4.01Å; F450-M466 HydrophobicContact CG-CG 4.49Å; F450-M466 HydrophobicContact CG-SD 4.29Å; F450-M466 HydrophobicContact CZ-CB 4.12Å; F456-M466 HydrophobicContact CD2-CE 3.25Å; F456-M466 HydrophobicContact CD2-SD 3.83Å; F456-M466 HydrophobicContact CE2-CE 3.64Å; F456-M466 HydrophobicContact CE2-SD 3.98Å; F456-M466 HydrophobicContact CG-CE 4.24Å; L461-M466 HydrophobicContact CB-CE 3.66Å; R462-M466 WeakPolarHBondContact O-CE 3.23Å; M463-M466 HydrophobicContact CG-SD 4.41Å; M463-M466 WeakPolarHBondContact O-CG 3.44Å; M466-N470 WeakPolarHBondContact O-CB 3.5Å; M466-N470 PolarHBondContact O-ND2 2.98Å
467	T	86.4	Confident	80.5	Confident	23 Å²	23	58.1 Å²	58.1	14%	0.141	31%	0.31	C	S	.	.	S	Bend	trans	77.7	147.9	-178.8	77.3	0	0	0	0	115	A427 E446 F450 A469 N470 L471	A427-T467 PolarHBondContact O-N 3.25Å; E446-T467 WeakPolarHBondContact OE1-CA 3.07Å; F450-T467 HydrophobicContact CD2-CG2 4.03Å; T467-A469 VanDerWaalsContact C-N 3.26Å; T467-A469 PolarHBondContact O-N 2.96Å; T467-N470 PolarHBondContact O-N 3.46Å; T467-N470 PolarHBondContact OG1-N 3.02Å; T467-N470 PolarHBondContact OG1-ND2 3.03Å; T467-L471 PolarHBondContact O-N 3.46Å
468	T	87.3	Confident	81.6	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-69.1	-28.5	175.6	-52.8	0	0	0	0	111.6	M234 I235 E446 L471 S472	M234-T468 HydrophobicContact CB-CG2 3.51Å; I235-T468 HydrophobicContact CG1-CG2 4.13Å; E446-T468 VanDerWaalsContact CD-N 3.33Å; E446-T468 PolarHBondContact OE1-N 3.16Å; E446-T468 VanDerWaalsContact OE1-N 3.08Å; E446-T468 PolarHBondContact OE1-OG1 3.07Å; E446-T468 PolarHBondContact OE2-N 3Å; E446-T468 PolarHBondContact OE2-OG1 2.65Å; T468-L471 PolarHBondContact O-N 3.06Å; T468-S472 WeakPolarHBondContact O-CB 3.42Å; T468-S472 PolarHBondContact O-N 3.12Å; T468-S472 PolarHBondContact O-OG 3.23Å
469	A	87.5	Confident	82.8	Confident	63 Å²	63	50 Å²	50	52%	0.521	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-50.7	174.9	0	0	0	0	0	111.7	T467 L471 S472 K473	T467-A469 VanDerWaalsContact C-N 3.26Å; T467-A469 PolarHBondContact O-N 2.96Å; A469-L471 PolarHBondContact O-N 2.92Å; A469-S472 PolarHBondContact O-N 3.26Å; A469-S472 PolarHBondContact O-OG 3.14Å; A469-K473 PolarHBondContact O-N 3.04Å; A469-K473 VanDerWaalsContact O-N 3.08Å
470	N	89.1	Confident	83.9	Confident	57 Å²	57	49.3 Å²	49.3	31%	0.305	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-37.7	177.5	-69.5	-30.9	0	0	0	112.4	M463 M466 T467 K473 A474	M463-N470 PolarHBondContact O-ND2 3.47Å; M466-N470 WeakPolarHBondContact O-CB 3.5Å; M466-N470 PolarHBondContact O-ND2 2.98Å; T467-N470 PolarHBondContact O-N 3.46Å; T467-N470 PolarHBondContact OG1-N 3.02Å; T467-N470 PolarHBondContact OG1-ND2 3.03Å; N470-K473 PolarHBondContact O-N 3.23Å; N470-A474 WeakPolarHBondContact O-CB 3.37Å; N470-A474 PolarHBondContact O-N 2.96Å
471	L	90.6	Very high	85	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-52.9	173.4	174.3	64.5	0	0	0	111.2	V231 L361 I390 V392 F426 V428 T467 T468 A469 K473 A474 V475	V231-L471 HydrophobicContact CG1-CD2 3.97Å; L361-L471 HydrophobicContact CD1-CD1 4.16Å; I390-L471 HydrophobicContact CG2-CD1 4.12Å; V392-L471 HydrophobicContact CG1-CD2 3.97Å; V392-L471 HydrophobicContact CG2-CD1 3.67Å; V392-L471 HydrophobicContact CG2-CD2 3.78Å; V392-L471 HydrophobicContact CG2-CG 4.39Å; F426-L471 HydrophobicContact CB-CD1 4Å; F426-L471 HydrophobicContact CD1-CB 4.19Å; F426-L471 HydrophobicContact CD1-CD1 4.26Å; F426-L471 HydrophobicContact CD2-CD1 3.65Å; F426-L471 HydrophobicContact CE2-CD1 4.18Å; F426-L471 HydrophobicContact CG-CB 4.35Å; F426-L471 HydrophobicContact CG-CD1 3.7Å; V428-L471 HydrophobicContact CG1-CB 4.35Å; V428-L471 HydrophobicContact CG1-CD2 3.94Å; T467-L471 PolarHBondContact O-N 3.46Å; T468-L471 PolarHBondContact O-N 3.06Å; A469-L471 PolarHBondContact O-N 2.92Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 3.32Å; L471-A474 PolarHBondContact O-N 3.25Å; L471-V475 HydrophobicContact CD1-CG2 3.78Å; L471-V475 HydrophobicContact CG-CG2 4.26Å; L471-V475 WeakPolarHBondContact O-CB 3.25Å; L471-V475 VanDerWaalsContact O-CG2 3.24Å; L471-V475 WeakPolarHBondContact O-CG2 3.28Å; L471-V475 PolarHBondContact O-N 2.75Å
472	S	90	Very high	85.8	Confident	19 Å²	19	54.9 Å²	54.9	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-39.9	-179.2	69.1	0	0	0	0	112.2	M321 T468 A469 S476	M321-S472 WeakPolarHBondContact CE-O 3.41Å; T468-S472 WeakPolarHBondContact O-CB 3.42Å; T468-S472 PolarHBondContact O-N 3.12Å; T468-S472 PolarHBondContact O-OG 3.23Å; A469-S472 PolarHBondContact O-N 3.26Å; A469-S472 PolarHBondContact O-OG 3.14Å; S472-S476 VanDerWaalsContact O-CB 3.32Å; S472-S476 WeakPolarHBondContact O-CB 3.32Å; S472-S476 PolarHBondContact O-N 3.1Å; S472-S476 PolarHBondContact O-OG 2.66Å
473	K	89.6	Confident	86.3	Confident	108 Å²	108	46 Å²	46	47%	0.47	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-46.4	176.1	-174.1	177.9	177.5	179.9	0	112.1	A469 N470 L471 V475 S476 E477	A469-K473 PolarHBondContact O-N 3.04Å; A469-K473 VanDerWaalsContact O-N 3.08Å; N470-K473 PolarHBondContact O-N 3.23Å; L471-K473 VanDerWaalsContact C-N 3.27Å; L471-K473 PolarHBondContact O-N 3.32Å; K473-V475 VanDerWaalsContact C-N 3.35Å; K473-V475 PolarHBondContact O-N 3.3Å; K473-S476 PolarHBondContact O-N 3.18Å; K473-S476 PolarHBondContact O-OG 3.15Å; K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 WeakPolarHBondContact O-CB 3.34Å; K473-E477 WeakPolarHBondContact O-CG 3.05Å; K473-E477 PolarHBondContact O-N 3.38Å
474	A	88.4	Confident	86.7	Confident	29 Å²	29	42 Å²	42	24%	0.24	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-38.9	179.4	0	0	0	0	0	112.4	F426 N470 L471 R478	F426-A474 HydrophobicContact CE1-CB 4Å; F426-A474 HydrophobicContact CE2-CB 4.26Å; F426-A474 HydrophobicContact CZ-CB 3.42Å; F426-A474 VanDerWaalsContact CZ-CB 3.42Å; N470-A474 WeakPolarHBondContact O-CB 3.37Å; N470-A474 PolarHBondContact O-N 2.96Å; L471-A474 PolarHBondContact O-N 3.25Å; A474-R478 WeakPolarHBondContact O-CB 3.15Å; A474-R478 PolarHBondContact O-N 2.89Å; A474-R478 VanDerWaalsContact O-N 3.1Å
475	V	90.9	Very high	86.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-42.5	175.1	174.6	0	0	0	0	110.4	V218 M321 L361 I390 L471 K473 R478 F479	V218-V475 HydrophobicContact CB-CG1 4.47Å; V218-V475 HydrophobicContact CG1-CG1 3.92Å; V218-V475 HydrophobicContact CG2-CG1 3.76Å; M321-V475 HydrophobicContact CE-CG1 4.35Å; M321-V475 HydrophobicContact SD-CG1 3.78Å; L361-V475 HydrophobicContact CD1-CG2 4.08Å; I390-V475 HydrophobicContact CD1-CG2 3.78Å; L471-V475 HydrophobicContact CD1-CG2 3.78Å; L471-V475 HydrophobicContact CG-CG2 4.26Å; L471-V475 WeakPolarHBondContact O-CB 3.25Å; L471-V475 VanDerWaalsContact O-CG2 3.24Å; L471-V475 WeakPolarHBondContact O-CG2 3.28Å; L471-V475 PolarHBondContact O-N 2.75Å; K473-V475 VanDerWaalsContact C-N 3.35Å; K473-V475 PolarHBondContact O-N 3.3Å; V475-R478 PolarHBondContact O-N 2.84Å; V475-F479 WeakPolarHBondContact O-CB 3.48Å; V475-F479 PolarHBondContact O-N 3.28Å
476	S	87.8	Confident	86.8	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.028	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-45.9	178.9	76	0	0	0	0	112.1	Q319 M321 S472 K473 R478 F479 W480	Q319-S476 PolarHBondContact OE1-OG 3.39Å; M321-S476 VanDerWaalsContact CE-CB 3.43Å; S472-S476 VanDerWaalsContact O-CB 3.32Å; S472-S476 WeakPolarHBondContact O-CB 3.32Å; S472-S476 PolarHBondContact O-N 3.1Å; S472-S476 PolarHBondContact O-OG 2.66Å; K473-S476 PolarHBondContact O-N 3.18Å; K473-S476 PolarHBondContact O-OG 3.15Å; S476-R478 VanDerWaalsContact C-N 3.32Å; S476-R478 PolarHBondContact O-N 3.45Å; S476-F479 WeakPolarHBondContact O-CB 3.37Å; S476-F479 PolarHBondContact O-N 2.78Å; S476-W480 PolarHBondContact O-N 3.24Å
477	E	88.6	Confident	86.7	Confident	116 Å²	116	41.1 Å²	41.1	54%	0.542	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-43.4	176.7	-74.3	174.8	-175.7	0	0	111.3	K473 K481	K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 WeakPolarHBondContact O-CB 3.34Å; K473-E477 WeakPolarHBondContact O-CG 3.05Å; K473-E477 PolarHBondContact O-N 3.38Å; E477-K481 WeakPolarHBondContact O-CB 3.25Å; E477-K481 PolarHBondContact O-N 3.3Å
478	R	87.3	Confident	86.6	Confident	83 Å²	83	43 Å²	43	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-40.9	177.2	-173.6	58.1	175.6	-173.8	0	112	I359 K387 L423 A474 V475 S476 M482	I359-R478 HydrophobicContact CD1-CB 4.12Å; I359-R478 HydrophobicContact CD1-CG 3.75Å; I359-R478 HydrophobicContact CG1-CG 4.27Å; K387-R478 PolarHBondContact O-NH2 3.24Å; L423-R478 HydrophobicContact CD1-CG 4.21Å; A474-R478 WeakPolarHBondContact O-CB 3.15Å; A474-R478 PolarHBondContact O-N 2.89Å; A474-R478 VanDerWaalsContact O-N 3.1Å; V475-R478 PolarHBondContact O-N 2.84Å; S476-R478 VanDerWaalsContact C-N 3.32Å; S476-R478 PolarHBondContact O-N 3.45Å; R478-M482 PolarHBondContact O-N 3.3Å; R478-M482 VanDerWaalsContact O-N 3.11Å
479	F	88.5	Confident	86.4	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-53.1	176.1	174.5	-97.7	0	0	0	110.8	Y195 P216 V218 M321 V322 I359 V475 S476 K481 M482 V483	Y195-F479 HydrophobicContact CE1-CZ 4.05Å; P216-F479 HydrophobicContact CB-CD2 4.37Å; P216-F479 HydrophobicContact CB-CE2 4.09Å; P216-F479 VanDerWaalsContact O-CE2 3.27Å; P216-F479 WeakPolarHBondContact O-CE2 3.37Å; V218-F479 HydrophobicContact CG2-CB 4.33Å; V218-F479 HydrophobicContact CG2-CD2 3.83Å; V218-F479 HydrophobicContact CG2-CG 4.39Å; M321-F479 HydrophobicContact CB-CD1 3.86Å; M321-F479 HydrophobicContact CB-CE1 4.16Å; M321-F479 HydrophobicContact CB-CG 4.1Å; V322-F479 HydrophobicContact CB-CE2 4.38Å; V322-F479 HydrophobicContact CB-CZ 4.26Å; V322-F479 HydrophobicContact CG2-CZ 4.24Å; I359-F479 VanDerWaalsContact CD1-CA 3.46Å; I359-F479 HydrophobicContact CD1-CB 3.97Å; V475-F479 WeakPolarHBondContact O-CB 3.48Å; V475-F479 PolarHBondContact O-N 3.28Å; S476-F479 WeakPolarHBondContact O-CB 3.37Å; S476-F479 PolarHBondContact O-N 2.78Å; F479-K481 PolarHBondContact O-N 2.94Å; F479-M482 PolarHBondContact O-N 2.95Å; F479-M482 VanDerWaalsContact O-N 3.15Å; F479-V483 HydrophobicContact CD1-CG2 4.05Å; F479-V483 HydrophobicContact CD2-CG2 4.46Å; F479-V483 HydrophobicContact CE1-CG2 3.67Å; F479-V483 HydrophobicContact CE2-CG2 4.13Å; F479-V483 HydrophobicContact CG-CG2 4.42Å; F479-V483 HydrophobicContact CZ-CG2 3.71Å; F479-V483 WeakPolarHBondContact O-CG2 3.31Å; F479-V483 PolarHBondContact O-N 3.01Å
480	W	85	Confident	86.2	Confident	51 Å²	51	47 Å²	47	19%	0.193	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-36.6	-179.5	-78.7	111.6	0	0	0	113.5	L191 I192 R320 S476 M482 V483 K484 F909 L913	L191-W480 HydrophobicContact CB-CH2 4.38Å; I192-W480 HydrophobicContact CG1-CH2 4.15Å; I192-W480 HydrophobicContact CG1-CZ2 3.83Å; R320-W480 HydrophobicContact CB-CZ2 3.75Å; R320-W480 PolarHBondContact O-NE1 3.4Å; S476-W480 PolarHBondContact O-N 3.24Å; W480-M482 VanDerWaalsContact C-N 3.31Å; W480-M482 PolarHBondContact O-N 3.02Å; W480-V483 HydrophobicContact CE3-CB 4.04Å; W480-V483 HydrophobicContact CE3-CG1 3.97Å; W480-V483 HydrophobicContact CE3-CG2 4.4Å; W480-V483 HydrophobicContact CZ3-CB 4.37Å; W480-V483 HydrophobicContact CZ3-CG1 3.85Å; W480-V483 PolarHBondContact O-N 3.17Å; W480-K484 WeakPolarHBondContact O-CB 3.29Å; W480-K484 PolarHBondContact O-N 3.21Å; W480-F909 AromaticContact CZ3-CZ 3.99Å; W480-F909 HydrophobicContact CZ3-CZ 3.99Å; W480-L913 HydrophobicContact CE3-CD2 3.63Å; W480-L913 HydrophobicContact CH2-CD2 4.35Å; W480-L913 HydrophobicContact CZ3-CD2 3.43Å; W480-L913 VanDerWaalsContact CZ3-CD2 3.43Å
481	K	85.5	Confident	86	Confident	119 Å²	119	44.3 Å²	44.3	52%	0.517	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-44.9	172.5	-177	170.8	-179.1	168	0	111.6	E477 F479 K484 D485	E477-K481 WeakPolarHBondContact O-CB 3.25Å; E477-K481 PolarHBondContact O-N 3.3Å; F479-K481 PolarHBondContact O-N 2.94Å; K481-K484 PolarHBondContact O-N 2.7Å; K481-D485 PolarHBondContact O-N 3.43Å; K481-D485 VanDerWaalsContact O-N 3.15Å
482	M	84.2	Confident	85.8	Confident	23 Å²	23	48.7 Å²	48.7	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-36.1	178.7	-162.5	170.7	65.5	0	0	112.4	P216 N357 I359 R478 F479 W480 K484 D485 S486	P216-M482 HydrophobicContact CB-CB 4.49Å; P216-M482 HydrophobicContact CB-CE 3.49Å; P216-M482 VanDerWaalsContact CB-CE 3.49Å; P216-M482 HydrophobicContact CB-CG 4.45Å; P216-M482 HydrophobicContact CG-CB 4.22Å; P216-M482 HydrophobicContact CG-CE 3.86Å; P216-M482 HydrophobicContact CG-CG 3.91Å; N357-M482 WeakPolarHBondContact O-CE 3.13Å; I359-M482 HydrophobicContact CD1-CE 3.91Å; I359-M482 HydrophobicContact CG1-CE 3.59Å; I359-M482 HydrophobicContact CG1-SD 4.17Å; R478-M482 PolarHBondContact O-N 3.3Å; R478-M482 VanDerWaalsContact O-N 3.11Å; F479-M482 PolarHBondContact O-N 2.95Å; F479-M482 VanDerWaalsContact O-N 3.15Å; W480-M482 VanDerWaalsContact C-N 3.31Å; W480-M482 PolarHBondContact O-N 3.02Å; M482-K484 VanDerWaalsContact C-N 3.33Å; M482-D485 PolarHBondContact O-N 3.28Å; M482-S486 VanDerWaalsContact O-CB 3.24Å; M482-S486 WeakPolarHBondContact O-CB 3.3Å; M482-S486 PolarHBondContact O-N 2.76Å
483	V	84.1	Confident	85.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-46	172.2	171.6	0	0	0	0	110.3	Y195 P216 F479 W480 S486 V487 F909	Y195-V483 HydrophobicContact CD2-CG1 4Å; Y195-V483 HydrophobicContact CE2-CG1 3.7Å; Y195-V483 HydrophobicContact CE2-CG2 4.22Å; P216-V483 HydrophobicContact CB-CG2 3.6Å; P216-V483 HydrophobicContact CG-CG2 4.01Å; F479-V483 HydrophobicContact CD1-CG2 4.05Å; F479-V483 HydrophobicContact CD2-CG2 4.46Å; F479-V483 HydrophobicContact CE1-CG2 3.67Å; F479-V483 HydrophobicContact CE2-CG2 4.13Å; F479-V483 HydrophobicContact CG-CG2 4.42Å; F479-V483 HydrophobicContact CZ-CG2 3.71Å; F479-V483 WeakPolarHBondContact O-CG2 3.31Å; F479-V483 PolarHBondContact O-N 3.01Å; W480-V483 HydrophobicContact CE3-CB 4.04Å; W480-V483 HydrophobicContact CE3-CG1 3.97Å; W480-V483 HydrophobicContact CE3-CG2 4.4Å; W480-V483 HydrophobicContact CZ3-CB 4.37Å; W480-V483 HydrophobicContact CZ3-CG1 3.85Å; W480-V483 PolarHBondContact O-N 3.17Å; V483-S486 PolarHBondContact O-N 3.25Å; V483-V487 HydrophobicContact CG1-CG2 4.03Å; V483-V487 WeakPolarHBondContact O-CB 3.23Å; V483-V487 WeakPolarHBondContact O-CG2 3.3Å; V483-V487 PolarHBondContact O-N 3.29Å; V483-F909 HydrophobicContact CG1-CE1 4.06Å; V483-F909 HydrophobicContact CG1-CZ 4.05Å
484	K	82.5	Confident	85.4	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-54.3	177.9	-171.8	175.7	-173.1	168.3	0	111.2	W480 K481 M482 S486 V487 E488 E917	W480-K484 WeakPolarHBondContact O-CB 3.29Å; W480-K484 PolarHBondContact O-N 3.21Å; K481-K484 PolarHBondContact O-N 2.7Å; M482-K484 VanDerWaalsContact C-N 3.33Å; K484-S486 VanDerWaalsContact C-N 3.34Å; K484-S486 PolarHBondContact O-N 3.17Å; K484-V487 PolarHBondContact O-N 3.17Å; K484-E488 WeakPolarHBondContact O-CB 3.49Å; K484-E488 VanDerWaalsContact O-CG 3.3Å; K484-E488 WeakPolarHBondContact O-CG 3.42Å; K484-E488 PolarHBondContact O-N 2.64Å; K484-E917 IonicContact NZ-OE1 3.43Å; K484-E917 PolarHBondContact NZ-OE1 2.74Å; K484-E917 IonicContact NZ-OE2 2.64Å; K484-E917 PolarHBondContact NZ-OE2 3.39Å
485	D	83	Confident	85.4	Confident	93 Å²	93	48.9 Å²	48.9	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-44.1	-178.7	-63.7	-15.6	0	0	0	111.6	K481 M482 Q489	K481-D485 PolarHBondContact O-N 3.43Å; K481-D485 VanDerWaalsContact O-N 3.15Å; M482-D485 PolarHBondContact O-N 3.28Å; D485-Q489 WeakPolarHBondContact O-CB 3.29Å; D485-Q489 PolarHBondContact O-N 3.35Å; D485-Q489 VanDerWaalsContact O-N 3.13Å
486	S	81.8	Confident	85.3	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-41.2	-179	-179.3	0	0	0	0	113	Q214 M482 V483 K484 Q490	Q214-S486 PolarHBondContact O-OG 3.48Å; Q214-S486 VanDerWaalsContact O-OG 3.12Å; M482-S486 VanDerWaalsContact O-CB 3.24Å; M482-S486 WeakPolarHBondContact O-CB 3.3Å; M482-S486 PolarHBondContact O-N 2.76Å; V483-S486 PolarHBondContact O-N 3.25Å; K484-S486 VanDerWaalsContact C-N 3.34Å; K484-S486 PolarHBondContact O-N 3.17Å; S486-Q490 WeakPolarHBondContact O-CB 3.43Å; S486-Q490 PolarHBondContact O-N 3.33Å
487	V	81.9	Confident	85.4	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-75.9	-34.6	-177.4	173.1	0	0	0	0	111	Y195 L215 V483 K484 Q490 A491 L906 F909 I910	Y195-V487 HydrophobicContact CE2-CG2 4.25Å; L215-V487 HydrophobicContact CD2-CG2 4.26Å; V483-V487 HydrophobicContact CG1-CG2 4.03Å; V483-V487 WeakPolarHBondContact O-CB 3.23Å; V483-V487 WeakPolarHBondContact O-CG2 3.3Å; V483-V487 PolarHBondContact O-N 3.29Å; K484-V487 PolarHBondContact O-N 3.17Å; V487-Q490 PolarHBondContact O-N 2.94Å; V487-A491 VanDerWaalsContact O-CB 3.3Å; V487-A491 WeakPolarHBondContact O-CB 3.38Å; V487-A491 PolarHBondContact O-N 2.71Å; V487-L906 HydrophobicContact CG1-CD2 3.95Å; V487-F909 HydrophobicContact CB-CE1 4.36Å; V487-F909 HydrophobicContact CG1-CD1 3.8Å; V487-F909 HydrophobicContact CG1-CE1 4.03Å; V487-F909 HydrophobicContact CG2-CE1 4.03Å; V487-I910 HydrophobicContact CG1-CD1 4.18Å; V487-I910 HydrophobicContact CG1-CG1 3.9Å
488	E	84.3	Confident	85.4	Confident	63 Å²	63	52 Å²	52	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-46.5	170.5	-74.1	-178.9	173.9	0	0	111.1	K484 Q490 A491 D492 I910	K484-E488 WeakPolarHBondContact O-CB 3.49Å; K484-E488 VanDerWaalsContact O-CG 3.3Å; K484-E488 WeakPolarHBondContact O-CG 3.42Å; K484-E488 PolarHBondContact O-N 2.64Å; E488-Q490 VanDerWaalsContact C-N 3.33Å; E488-Q490 PolarHBondContact O-N 3.36Å; E488-A491 PolarHBondContact O-N 3.2Å; E488-D492 PolarHBondContact O-N 3.05Å; E488-I910 HydrophobicContact CG-CD1 4.4Å
489	Q	84.1	Confident	85.6	Confident	129 Å²	129	55.3 Å²	55.3	60%	0.603	26%	0.263	S	S	*	.	H	α-helix	trans	-59.8	-41.8	174.9	-175.7	-179	7.6	0	0	112.4	D485 D492 T493	D485-Q489 WeakPolarHBondContact O-CB 3.29Å; D485-Q489 PolarHBondContact O-N 3.35Å; D485-Q489 VanDerWaalsContact O-N 3.13Å; Q489-D492 PolarHBondContact O-N 2.98Å; Q489-T493 PolarHBondContact O-N 3.14Å; Q489-T493 PolarHBondContact O-OG1 2.81Å
490	Q	83	Confident	85.7	Confident	24 Å²	24	60 Å²	60	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-40.6	178.6	-165.9	63.8	5.9	0	0	111.6	S486 V487 E488 D492 T493 Y494 L906	S486-Q490 WeakPolarHBondContact O-CB 3.43Å; S486-Q490 PolarHBondContact O-N 3.33Å; V487-Q490 PolarHBondContact O-N 2.94Å; E488-Q490 VanDerWaalsContact C-N 3.33Å; E488-Q490 PolarHBondContact O-N 3.36Å; Q490-D492 VanDerWaalsContact C-N 3.34Å; Q490-D492 PolarHBondContact O-N 2.91Å; Q490-T493 WeakPolarHBondContact O-CB 3.31Å; Q490-T493 PolarHBondContact O-N 3.1Å; Q490-Y494 HydrophobicContact CG-CD2 3.88Å; Q490-Y494 HydrophobicContact CG-CE2 3.7Å; Q490-Y494 VanDerWaalsContact O-CD2 3.3Å; Q490-Y494 WeakPolarHBondContact O-CD2 3.39Å; Q490-Y494 PolarHBondContact O-N 3.25Å; Q490-L906 HydrophobicContact CG-CD1 4.39Å
491	A	84.7	Confident	86	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-41.3	175	0	0	0	0	0	111.7	V487 E488 T493 Y494 R495 L906 I910	V487-A491 VanDerWaalsContact O-CB 3.3Å; V487-A491 WeakPolarHBondContact O-CB 3.38Å; V487-A491 PolarHBondContact O-N 2.71Å; E488-A491 PolarHBondContact O-N 3.2Å; A491-T493 VanDerWaalsContact C-N 3.33Å; A491-T493 PolarHBondContact O-N 3.47Å; A491-Y494 PolarHBondContact O-N 3.02Å; A491-R495 WeakPolarHBondContact O-CB 3.21Å; A491-R495 VanDerWaalsContact O-CG 3.27Å; A491-R495 WeakPolarHBondContact O-CG 3.32Å; A491-R495 PolarHBondContact O-N 3.46Å; A491-L906 HydrophobicContact CB-CB 4.19Å; A491-L906 HydrophobicContact CB-CD1 4.43Å; A491-I910 HydrophobicContact CB-CD1 3.57Å
492	D	86.9	Confident	86.3	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-39.5	173.9	-76.2	-26	0	0	0	112.4	E488 Q489 Q490 R495 A496	E488-D492 PolarHBondContact O-N 3.05Å; Q489-D492 PolarHBondContact O-N 2.98Å; Q490-D492 VanDerWaalsContact C-N 3.34Å; Q490-D492 PolarHBondContact O-N 2.91Å; D492-R495 PolarHBondContact O-N 3.01Å; D492-R495 IonicContact OD1-CZ 3.56Å; D492-R495 IonicContact OD1-NH1 3.75Å; D492-R495 PolarHBondContact OD1-NH1 2.86Å; D492-A496 PolarHBondContact O-N 3.17Å
493	T	86.4	Confident	86.7	Confident	62 Å²	62	55.7 Å²	55.7	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-47.3	175.9	-56.1	0	0	0	0	110.9	Q489 Q490 A491 A496 I497	Q489-T493 PolarHBondContact O-N 3.14Å; Q489-T493 PolarHBondContact O-OG1 2.81Å; Q490-T493 WeakPolarHBondContact O-CB 3.31Å; Q490-T493 PolarHBondContact O-N 3.1Å; A491-T493 VanDerWaalsContact C-N 3.33Å; A491-T493 PolarHBondContact O-N 3.47Å; T493-A496 PolarHBondContact O-N 3.3Å; T493-I497 HydrophobicContact CG2-CD1 4.1Å; T493-I497 WeakPolarHBondContact O-CG1 3.46Å; T493-I497 PolarHBondContact O-N 3.23Å
494	Y	85.4	Confident	87	Confident	15 Å²	15	58.8 Å²	58.8	6%	0.059	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-32.7	176.2	-79.6	-71	0	0	0	113.4	L202 D206 Q490 A491 A496 I497 R498 T899 I902 L906	L202-Y494 HydrophobicContact CD2-CE2 3.59Å; L202-Y494 WeakPolarHBondContact CD2-OH 3.42Å; D206-Y494 PolarHBondContact OD2-OH 3.18Å; Q490-Y494 HydrophobicContact CG-CD2 3.88Å; Q490-Y494 HydrophobicContact CG-CE2 3.7Å; Q490-Y494 VanDerWaalsContact O-CD2 3.3Å; Q490-Y494 WeakPolarHBondContact O-CD2 3.39Å; Q490-Y494 PolarHBondContact O-N 3.25Å; A491-Y494 PolarHBondContact O-N 3.02Å; Y494-A496 VanDerWaalsContact C-N 3.33Å; Y494-I497 HydrophobicContact CD1-CD1 4.3Å; Y494-I497 PolarHBondContact O-N 3.02Å; Y494-R498 VanDerWaalsContact O-CB 3.31Å; Y494-R498 WeakPolarHBondContact O-CB 3.23Å; Y494-R498 PolarHBondContact O-N 2.78Å; Y494-T899 HydrophobicContact CD1-CG2 4.2Å; Y494-I902 HydrophobicContact CD1-CD1 4.42Å; Y494-I902 HydrophobicContact CD1-CG2 4.27Å; Y494-I902 HydrophobicContact CD2-CG2 3.91Å; Y494-I902 HydrophobicContact CE1-CD1 3.85Å; Y494-I902 HydrophobicContact CE1-CG2 4.17Å; Y494-I902 HydrophobicContact CE2-CG2 3.76Å; Y494-I902 HydrophobicContact CG-CG2 4.17Å; Y494-L906 HydrophobicContact CD2-CD1 3.51Å; Y494-L906 HydrophobicContact CE2-CD1 4.1Å; Y494-L906 HydrophobicContact CG-CD1 4.32Å
495	R	87.8	Confident	87.4	Confident	82 Å²	82	56.7 Å²	56.7	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-44.5	170.4	-78	175	-162.1	118.9	8.8	111.2	A491 D492 R498 Y499 Q903 E907	A491-R495 WeakPolarHBondContact O-CB 3.21Å; A491-R495 VanDerWaalsContact O-CG 3.27Å; A491-R495 WeakPolarHBondContact O-CG 3.32Å; A491-R495 PolarHBondContact O-N 3.46Å; D492-R495 PolarHBondContact O-N 3.01Å; D492-R495 IonicContact OD1-CZ 3.56Å; D492-R495 IonicContact OD1-NH1 3.75Å; D492-R495 PolarHBondContact OD1-NH1 2.86Å; R495-R498 PolarHBondContact O-N 2.66Å; R495-Y499 WeakPolarHBondContact O-CB 3.49Å; R495-Y499 PolarHBondContact O-N 3.31Å; R495-Q903 HydrophobicContact CG-CG 4.24Å; R495-E907 IonicContact CZ-OE1 2.95Å; R495-E907 IonicContact NE-OE1 3.37Å; R495-E907 PolarHBondContact NE-OE1 3.35Å; R495-E907 IonicContact NH2-OE1 2.72Å; R495-E907 PolarHBondContact NH2-OE1 3.44Å
496	A	89	Confident	87.8	Confident	52 Å²	52	58.6 Å²	58.6	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-45	177.1	0	0	0	0	0	111.7	D492 T493 Y494 R498 Y499 N500	D492-A496 PolarHBondContact O-N 3.17Å; T493-A496 PolarHBondContact O-N 3.3Å; Y494-A496 VanDerWaalsContact C-N 3.33Å; A496-R498 PolarHBondContact O-N 2.83Å; A496-Y499 PolarHBondContact O-N 3.38Å; A496-N500 VanDerWaalsContact O-CG 3.22Å; A496-N500 PolarHBondContact O-N 2.96Å; A496-N500 PolarHBondContact O-ND2 3.18Å
497	I	89.2	Confident	88.2	Confident	69 Å²	69	64.1 Å²	64.1	35%	0.354	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-47.9	175.6	-67.6	166.3	0	0	0	110.6	T493 Y494 Y499 N500 L501 T899	T493-I497 HydrophobicContact CG2-CD1 4.1Å; T493-I497 WeakPolarHBondContact O-CG1 3.46Å; T493-I497 PolarHBondContact O-N 3.23Å; Y494-I497 HydrophobicContact CD1-CD1 4.3Å; Y494-I497 PolarHBondContact O-N 3.02Å; I497-Y499 VanDerWaalsContact C-N 3.35Å; I497-Y499 PolarHBondContact O-N 2.76Å; I497-N500 WeakPolarHBondContact O-CB 3.32Å; I497-N500 PolarHBondContact O-N 3.3Å; I497-L501 HydrophobicContact CG2-CD1 4Å; I497-L501 HydrophobicContact CG2-CG 4.44Å; I497-L501 WeakPolarHBondContact O-CG 3.48Å; I497-L501 PolarHBondContact O-N 3.1Å; I497-T899 HydrophobicContact CB-CG2 4.49Å; I497-T899 HydrophobicContact CG2-CG2 4.12Å
498	R	88.2	Confident	88.6	Confident	64 Å²	64	67.7 Å²	67.7	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-47.9	176.8	-179.2	-174.8	162.6	-176.4	-2.4	111.4	Y494 R495 A496 N500 L501 E502 T899 R900	Y494-R498 VanDerWaalsContact O-CB 3.31Å; Y494-R498 WeakPolarHBondContact O-CB 3.23Å; Y494-R498 PolarHBondContact O-N 2.78Å; R495-R498 PolarHBondContact O-N 2.66Å; A496-R498 PolarHBondContact O-N 2.83Å; R498-N500 VanDerWaalsContact C-N 3.28Å; R498-N500 PolarHBondContact O-N 2.5Å; R498-L501 PolarHBondContact O-N 3.42Å; R498-E502 HydrophobicContact CG-CG 4.2Å; R498-E502 IonicContact CZ-OE1 2.71Å; R498-E502 IonicContact NE-OE1 3.72Å; R498-E502 PolarHBondContact NE-OE1 3.46Å; R498-E502 IonicContact NH2-OE1 3.17Å; R498-E502 PolarHBondContact NH2-OE1 2.9Å; R498-E502 WeakPolarHBondContact O-CB 3.41Å; R498-E502 WeakPolarHBondContact O-CG 3.32Å; R498-E502 PolarHBondContact O-N 2.7Å; R498-T899 HydrophobicContact CB-CG2 3.7Å; R498-R900 HydrophobicContact CG-CG 4.43Å
499	Y	91.8	Very high	88.8	Confident	153 Å²	153	66.7 Å²	66.7	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-59.4	-41.7	179.9	179.8	-95.2	0	0	0	111.5	R495 A496 I497 E502 T503	R495-Y499 WeakPolarHBondContact O-CB 3.49Å; R495-Y499 PolarHBondContact O-N 3.31Å; A496-Y499 PolarHBondContact O-N 3.38Å; I497-Y499 VanDerWaalsContact C-N 3.35Å; I497-Y499 PolarHBondContact O-N 2.76Å; Y499-E502 PolarHBondContact O-N 3.22Å; Y499-T503 WeakPolarHBondContact O-CB 3.36Å; Y499-T503 PolarHBondContact O-N 3.15Å; Y499-T503 PolarHBondContact O-OG1 2.87Å
500	N	91.6	Very high	88.8	Confident	101 Å²	101	64.7 Å²	64.7	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-46.7	175.7	-68.4	-22.4	0	0	0	111.6	A496 I497 R498 T503 E504	A496-N500 VanDerWaalsContact O-CG 3.22Å; A496-N500 PolarHBondContact O-N 2.96Å; A496-N500 PolarHBondContact O-ND2 3.18Å; I497-N500 WeakPolarHBondContact O-CB 3.32Å; I497-N500 PolarHBondContact O-N 3.3Å; R498-N500 VanDerWaalsContact C-N 3.28Å; R498-N500 PolarHBondContact O-N 2.5Å; N500-T503 PolarHBondContact O-N 3.19Å; N500-E504 PolarHBondContact O-N 3.21Å
501	L	91.3	Very high	88.9	Confident	24 Å²	24	72.2 Å²	72.2	13%	0.126	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-41.5	177.8	-69.6	174.3	0	0	0	112.6	I497 R498 T503 E504 W505 L892 D895 T899	I497-L501 HydrophobicContact CG2-CD1 4Å; I497-L501 HydrophobicContact CG2-CG 4.44Å; I497-L501 WeakPolarHBondContact O-CG 3.48Å; I497-L501 PolarHBondContact O-N 3.1Å; R498-L501 PolarHBondContact O-N 3.42Å; L501-T503 VanDerWaalsContact C-N 3.3Å; L501-T503 PolarHBondContact O-N 2.92Å; L501-E504 PolarHBondContact O-N 3.49Å; L501-W505 WeakPolarHBondContact O-CB 3.32Å; L501-W505 PolarHBondContact O-N 2.78Å; L501-L892 HydrophobicContact CD2-CD2 3.95Å; L501-D895 HydrophobicContact CD1-CB 4.09Å; L501-T899 WeakPolarHBondContact CD1-OG1 3.31Å
502	E	91.3	Very high	88.8	Confident	30 Å²	30	76.1 Å²	76.1	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-64.8	-36.6	175.6	-77.3	-175.3	173.2	0	0	111.7	R498 Y499 W505 K506 L896 R900	R498-E502 HydrophobicContact CG-CG 4.2Å; R498-E502 IonicContact CZ-OE1 2.71Å; R498-E502 IonicContact NE-OE1 3.72Å; R498-E502 PolarHBondContact NE-OE1 3.46Å; R498-E502 IonicContact NH2-OE1 3.17Å; R498-E502 PolarHBondContact NH2-OE1 2.9Å; R498-E502 WeakPolarHBondContact O-CB 3.41Å; R498-E502 WeakPolarHBondContact O-CG 3.32Å; R498-E502 PolarHBondContact O-N 2.7Å; Y499-E502 PolarHBondContact O-N 3.22Å; E502-W505 PolarHBondContact O-N 3.3Å; E502-K506 WeakPolarHBondContact O-CB 3.34Å; E502-K506 VanDerWaalsContact O-CG 3.28Å; E502-K506 WeakPolarHBondContact O-CG 3.31Å; E502-K506 PolarHBondContact O-N 3.44Å; E502-L896 HydrophobicContact CB-CD1 4.49Å; E502-L896 HydrophobicContact CG-CD1 3.78Å; E502-L896 HydrophobicContact CG-CG 4.26Å; E502-R900 IonicContact OE1-CZ 3.57Å; E502-R900 IonicContact OE1-NE 2.81Å; E502-R900 PolarHBondContact OE1-NE 3.25Å; E502-R900 IonicContact OE1-NH2 3.67Å; E502-R900 PolarHBondContact OE1-NH2 2.82Å
503	T	92.1	Very high	88.9	Confident	47 Å²	47	80.8 Å²	80.8	29%	0.288	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-44.6	174.9	-58.6	0	0	0	0	110.5	Y499 N500 L501 W505 K506 N507	Y499-T503 WeakPolarHBondContact O-CB 3.36Å; Y499-T503 PolarHBondContact O-N 3.15Å; Y499-T503 PolarHBondContact O-OG1 2.87Å; N500-T503 PolarHBondContact O-N 3.19Å; L501-T503 VanDerWaalsContact C-N 3.3Å; L501-T503 PolarHBondContact O-N 2.92Å; T503-W505 VanDerWaalsContact C-N 3.34Å; T503-W505 PolarHBondContact O-N 3.34Å; T503-K506 PolarHBondContact O-N 3.15Å; T503-N507 WeakPolarHBondContact O-CB 3.33Å; T503-N507 PolarHBondContact O-N 3.21Å; T503-N507 PolarHBondContact O-ND2 2.86Å
504	E	90.9	Very high	88.7	Confident	66 Å²	66	80.3 Å²	80.3	31%	0.308	39%	0.385	S	S	.	.	H	α-helix	trans	-60.7	-43.1	174.7	-172.3	174.5	-175.5	0	0	111.7	N500 L501 N507 L508 K888 L892	N500-E504 PolarHBondContact O-N 3.21Å; L501-E504 PolarHBondContact O-N 3.49Å; E504-N507 PolarHBondContact O-N 3.26Å; E504-L508 HydrophobicContact CG-CD1 3.74Å; E504-L508 HydrophobicContact CG-CG 4.43Å; E504-L508 WeakPolarHBondContact O-CG 3.48Å; E504-L508 PolarHBondContact O-N 3.45Å; E504-K888 WeakPolarHBondContact OE1-CE 3.33Å; E504-K888 IonicContact OE1-NZ 3.45Å; E504-K888 PolarHBondContact OE1-NZ 3.17Å; E504-L892 HydrophobicContact CG-CD1 3.91Å; E504-L892 HydrophobicContact CG-CD2 4.36Å
505	W	90.9	Very high	88.7	Confident	13 Å²	13	81.4 Å²	81.4	5%	0.049	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-51.5	174.9	-178.7	-88	0	0	0	111.9	L501 E502 T503 N507 L508 F509 L512 E514 R889 L892 A893 L896	L501-W505 WeakPolarHBondContact O-CB 3.32Å; L501-W505 PolarHBondContact O-N 2.78Å; E502-W505 PolarHBondContact O-N 3.3Å; T503-W505 VanDerWaalsContact C-N 3.34Å; T503-W505 PolarHBondContact O-N 3.34Å; W505-N507 PolarHBondContact O-N 3.46Å; W505-L508 PolarHBondContact O-N 3.41Å; W505-F509 HydrophobicContact CD2-CB 4.27Å; W505-F509 HydrophobicContact CD2-CD2 4.17Å; W505-F509 AromaticContact CE3-CD2 3.87Å; W505-F509 HydrophobicContact CE3-CD2 3.87Å; W505-F509 HydrophobicContact CH2-CD2 4.38Å; W505-F509 HydrophobicContact CZ2-CB 4.13Å; W505-F509 AromaticContact CZ3-CD2 3.99Å; W505-F509 HydrophobicContact CZ3-CD2 3.99Å; W505-F509 CarbonylContact O-C 3.48Å; W505-F509 WeakPolarHBondContact O-CA 3.11Å; W505-F509 PolarHBondContact O-N 2.91Å; W505-L512 HydrophobicContact CZ2-CB 4.28Å; W505-L512 WeakPolarHBondContact CZ2-O 3.44Å; W505-L512 PolarHBondContact NE1-O 2.9Å; W505-E514 HydrophobicContact CD2-CG 3.84Å; W505-E514 VanDerWaalsContact CE2-CG 3.5Å; W505-E514 HydrophobicContact CE3-CG 4.33Å; W505-E514 HydrophobicContact CG-CG 4.29Å; W505-E514 HydrophobicContact CH2-CB 4.43Å; W505-E514 HydrophobicContact CH2-CG 4.22Å; W505-E514 HydrophobicContact CZ2-CB 4.2Å; W505-E514 HydrophobicContact CZ2-CG 3.73Å; W505-E514 HydrophobicContact CZ3-CG 4.49Å; W505-R889 HydrophobicContact CH2-CG 3.62Å; W505-R889 HydrophobicContact CZ3-CG 3.88Å; W505-R889 VanDerWaalsContact CZ3-O 3.32Å; W505-R889 WeakPolarHBondContact CZ3-O 3.29Å; W505-L892 HydrophobicContact CE3-CB 4.02Å; W505-L892 HydrophobicContact CZ3-CB 4.37Å; W505-A893 HydrophobicContact CH2-CB 4.15Å; W505-A893 HydrophobicContact CZ3-CB 3.79Å; W505-L896 HydrophobicContact CB-CD1 4.26Å
506	K	90.7	Very high	88.4	Confident	134 Å²	134	80 Å²	80	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-60.2	-35.2	-180	-74.8	170.4	-176.9	169.4	0	112.3	E502 T503 P510	E502-K506 WeakPolarHBondContact O-CB 3.34Å; E502-K506 VanDerWaalsContact O-CG 3.28Å; E502-K506 WeakPolarHBondContact O-CG 3.31Å; E502-K506 PolarHBondContact O-N 3.44Å; T503-K506 PolarHBondContact O-N 3.15Å; K506-P510 WeakPolarHBondContact O-CB 3.42Å
507	N	91.3	Very high	88.3	Confident	124 Å²	124	79 Å²	79	66%	0.663	38%	0.375	S	S	*	.	H	α-helix	trans	-71.9	-40	178.8	-70.5	-18.9	0	0	0	112.6	T503 E504 W505	T503-N507 WeakPolarHBondContact O-CB 3.33Å; T503-N507 PolarHBondContact O-N 3.21Å; T503-N507 PolarHBondContact O-ND2 2.86Å; E504-N507 PolarHBondContact O-N 3.26Å; W505-N507 PolarHBondContact O-N 3.46Å
508	L	89.8	Confident	88	Confident	77 Å²	77	82.1 Å²	82.1	40%	0.403	39%	0.387	S	S	.	.	H	α-helix	trans	-89.3	-32.9	-176.1	-63.7	173.6	0	0	0	113.2	E504 W505 K888 L892	E504-L508 HydrophobicContact CG-CD1 3.74Å; E504-L508 HydrophobicContact CG-CG 4.43Å; E504-L508 WeakPolarHBondContact O-CG 3.48Å; E504-L508 PolarHBondContact O-N 3.45Å; W505-L508 PolarHBondContact O-N 3.41Å; L508-K888 HydrophobicContact CD1-CD 3.84Å; L508-K888 HydrophobicContact CD1-CG 4.46Å; L508-L892 HydrophobicContact CD1-CD1 3.76Å
509	F	89.1	Confident	87.9	Confident	42 Å²	42	82.7 Å²	82.7	18%	0.184	39%	0.393	C	S	.	.			trans	-138.1	57.2	-168.2	-53.6	-59.9	0	0	0	112.7	W505 H511 L512 R889 L892	W505-F509 HydrophobicContact CD2-CB 4.27Å; W505-F509 HydrophobicContact CD2-CD2 4.17Å; W505-F509 AromaticContact CE3-CD2 3.87Å; W505-F509 HydrophobicContact CE3-CD2 3.87Å; W505-F509 HydrophobicContact CH2-CD2 4.38Å; W505-F509 HydrophobicContact CZ2-CB 4.13Å; W505-F509 AromaticContact CZ3-CD2 3.99Å; W505-F509 HydrophobicContact CZ3-CD2 3.99Å; W505-F509 CarbonylContact O-C 3.48Å; W505-F509 WeakPolarHBondContact O-CA 3.11Å; W505-F509 PolarHBondContact O-N 2.91Å; F509-H511 VanDerWaalsContact C-N 3.29Å; F509-H511 PolarHBondContact O-N 3.12Å; F509-L512 HydrophobicContact CB-CB 4.19Å; F509-L512 HydrophobicContact CB-CD1 4.2Å; F509-L512 HydrophobicContact CD1-CD1 3.92Å; F509-L512 HydrophobicContact CG-CD1 4.38Å; F509-L512 PolarHBondContact O-N 2.73Å; F509-R889 HydrophobicContact CD1-CG 4.43Å; F509-R889 HydrophobicContact CD2-CB 4.4Å; F509-R889 HydrophobicContact CD2-CG 4.19Å; F509-R889 HydrophobicContact CE1-CB 4.05Å; F509-R889 HydrophobicContact CE1-CG 4.33Å; F509-R889 HydrophobicContact CE2-CB 3.79Å; F509-R889 HydrophobicContact CE2-CG 4.09Å; F509-R889 HydrophobicContact CG-CG 4.37Å; F509-R889 HydrophobicContact CZ-CB 3.6Å; F509-R889 HydrophobicContact CZ-CG 4.17Å; F509-L892 HydrophobicContact CE2-CD1 4.16Å
510	P	84	Confident	87.7	Confident	86 Å²	86	75.6 Å²	75.6	56%	0.558	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	-170.4	23.8	-34.7	0	0	0	115.3	K506	K506-P510 WeakPolarHBondContact O-CB 3.42Å
511	H	83.6	Confident	87.7	Confident	183 Å²	183	71 Å²	71	85%	0.847	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	9.5	-176.3	-57.2	-50.8	0	0	0	113.6	F509	F509-H511 VanDerWaalsContact C-N 3.29Å; F509-H511 PolarHBondContact O-N 3.12Å
512	L	84.2	Confident	87.5	Confident	81 Å²	81	73.1 Å²	73.1	42%	0.424	35%	0.35	S	S	.	.			trans	-107.6	134.1	-179.7	-65.6	171.8	0	0	0	110	W505 F509	W505-L512 HydrophobicContact CZ2-CB 4.28Å; W505-L512 WeakPolarHBondContact CZ2-O 3.44Å; W505-L512 PolarHBondContact NE1-O 2.9Å; F509-L512 HydrophobicContact CB-CB 4.19Å; F509-L512 HydrophobicContact CB-CD1 4.2Å; F509-L512 HydrophobicContact CD1-CD1 3.92Å; F509-L512 HydrophobicContact CG-CD1 4.38Å; F509-L512 PolarHBondContact O-N 2.73Å
513	R	87.7	Confident	87.4	Confident	191 Å²	191	76.8 Å²	76.8	72%	0.721	37%	0.365	S	S	*	.			trans	-71.5	137.5	169.2	-178.7	-179.9	167.6	-175.3	-6.2	109.1	M515	R513-M515 PolarHBondContact O-N 2.59Å
514	E	83.1	Confident	87.3	Confident	53 Å²	53	74.6 Å²	74.6	25%	0.248	35%	0.352	C	S	.	.			trans	-62.1	121.3	169.2	-60.4	161.5	-165.5	0	0	108.8	W505 L896 R900	W505-E514 HydrophobicContact CD2-CG 3.84Å; W505-E514 VanDerWaalsContact CE2-CG 3.5Å; W505-E514 HydrophobicContact CE3-CG 4.33Å; W505-E514 HydrophobicContact CG-CG 4.29Å; W505-E514 HydrophobicContact CH2-CB 4.43Å; W505-E514 HydrophobicContact CH2-CG 4.22Å; W505-E514 HydrophobicContact CZ2-CB 4.2Å; W505-E514 HydrophobicContact CZ2-CG 3.73Å; W505-E514 HydrophobicContact CZ3-CG 4.49Å; E514-L896 WeakPolarHBondContact OE2-CD2 3.43Å; E514-R900 IonicContact OE1-CZ 2.72Å; E514-R900 IonicContact OE1-NH1 3.15Å; E514-R900 IonicContact OE1-NH2 2.74Å; E514-R900 PolarHBondContact OE1-NH2 3.19Å; E514-R900 IonicContact OE2-CZ 3.4Å; E514-R900 VanDerWaalsContact OE2-CZ 3.27Å; E514-R900 IonicContact OE2-NH1 3.17Å; E514-R900 PolarHBondContact OE2-NH1 2.65Å; E514-R900 IonicContact OE2-NH2 2.67Å; E514-R900 PolarHBondContact OE2-NH2 3.03Å
515	M	84.3	Confident	87.2	Confident	37 Å²	37	74.5 Å²	74.5	18%	0.182	35%	0.349	C	S	.	.			trans	-131.2	132.9	177.1	-66.2	-178.7	67.2	0	0	107.6	R513 E519 L520 K523 A893	R513-M515 PolarHBondContact O-N 2.59Å; M515-E519 HydrophobicContact CB-CB 4.27Å; M515-E519 HydrophobicContact CE-CB 3.75Å; M515-L520 HydrophobicContact CB-CD2 4.01Å; M515-L520 HydrophobicContact CB-CG 3.86Å; M515-L520 HydrophobicContact CE-CD2 4.4Å; M515-L520 HydrophobicContact SD-CD2 4.17Å; M515-K523 HydrophobicContact CE-CB 4.15Å; M515-K523 HydrophobicContact CE-CD 3.93Å; M515-K523 HydrophobicContact SD-CD 4.11Å; M515-A893 VanDerWaalsContact O-CB 3.31Å; M515-A893 WeakPolarHBondContact O-CB 3.37Å
516	D	83.1	Confident	87.1	Confident	54 Å²	54	77.7 Å²	77.7	29%	0.289	37%	0.366	S	S	.	.			trans	-71.2	172.5	174.2	67.2	32.1	0	0	0	111.1	E518 E519 L520	D516-E518 VanDerWaalsContact C-N 3.26Å; D516-E518 PolarHBondContact O-N 3.26Å; D516-E518 PolarHBondContact OD1-N 3.48Å; D516-E519 VanDerWaalsContact OD1-CB 3.32Å; D516-E519 WeakPolarHBondContact OD1-CB 3.26Å; D516-E519 WeakPolarHBondContact OD1-CG 3.37Å; D516-E519 PolarHBondContact OD1-N 3.23Å; D516-L520 WeakPolarHBondContact O-CB 3.32Å; D516-L520 VanDerWaalsContact O-CG 3.31Å; D516-L520 WeakPolarHBondContact O-CG 3.47Å; D516-L520 PolarHBondContact O-N 3.03Å
517	R	86.2	Confident	87	Confident	31 Å²	31	73.9 Å²	73.9	12%	0.117	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-31.5	-177.8	-170.9	178.3	-67.7	109.2	12.2	112.4	F521 V881 I885 V890 E894	R517-F521 WeakPolarHBondContact O-CB 3.46Å; R517-F521 PolarHBondContact O-N 3.43Å; R517-V881 HydrophobicContact CG-CG1 3.94Å; R517-I885 HydrophobicContact CG-CB 3.98Å; R517-I885 HydrophobicContact CG-CD1 4.48Å; R517-I885 HydrophobicContact CG-CG2 4.01Å; R517-I885 PolarHBondContact NE-O 3.41Å; R517-V890 HydrophobicContact CB-CG1 4.01Å; R517-V890 HydrophobicContact CG-CG1 4.28Å; R517-E894 VanDerWaalsContact CB-OE1 3.23Å; R517-E894 WeakPolarHBondContact CB-OE1 3.36Å; R517-E894 VanDerWaalsContact CZ-CD 3.49Å; R517-E894 IonicContact CZ-OE1 2.69Å; R517-E894 IonicContact CZ-OE2 3.29Å; R517-E894 VanDerWaalsContact CZ-OE2 3.28Å; R517-E894 IonicContact NE-OE1 3.44Å; R517-E894 VanDerWaalsContact NH1-CD 3.31Å; R517-E894 IonicContact NH1-OE1 2.87Å; R517-E894 PolarHBondContact NH1-OE1 3.24Å; R517-E894 IonicContact NH1-OE2 3.02Å; R517-E894 PolarHBondContact NH1-OE2 3.41Å; R517-E894 VanDerWaalsContact NH1-OE2 3.12Å; R517-E894 VanDerWaalsContact NH2-CD 3.27Å; R517-E894 IonicContact NH2-OE1 3.59Å; R517-E894 PolarHBondContact NH2-OE1 2.9Å; R517-E894 IonicContact NH2-OE2 2.92Å; R517-E894 PolarHBondContact NH2-OE2 3.49Å
518	E	83.6	Confident	86.8	Confident	133 Å²	133	68.5 Å²	68.5	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-72.1	-47.4	179.6	-65.5	-178	-174	0	0	111	D516 L520 F521 E522	D516-E518 VanDerWaalsContact C-N 3.26Å; D516-E518 PolarHBondContact O-N 3.26Å; D516-E518 PolarHBondContact OD1-N 3.48Å; E518-L520 VanDerWaalsContact C-N 3.31Å; E518-L520 PolarHBondContact O-N 3.43Å; E518-F521 WeakPolarHBondContact O-CB 3.36Å; E518-F521 PolarHBondContact O-N 3.43Å; E518-F521 VanDerWaalsContact O-N 3.14Å; E518-E522 WeakPolarHBondContact O-CG 3.38Å; E518-E522 PolarHBondContact O-N 2.91Å
519	E	85.9	Confident	86.7	Confident	76 Å²	76	66.2 Å²	66.2	36%	0.355	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-40.9	173.6	-72.3	-172.2	168.4	0	0	111.4	M515 D516 E522 K523	M515-E519 HydrophobicContact CB-CB 4.27Å; M515-E519 HydrophobicContact CE-CB 3.75Å; D516-E519 VanDerWaalsContact OD1-CB 3.32Å; D516-E519 WeakPolarHBondContact OD1-CB 3.26Å; D516-E519 WeakPolarHBondContact OD1-CG 3.37Å; D516-E519 PolarHBondContact OD1-N 3.23Å; E519-E522 PolarHBondContact O-N 3.45Å; E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 PolarHBondContact O-N 2.88Å
520	L	88.3	Confident	86.4	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-41	173.9	-77.8	174.8	0	0	0	111.8	M515 D516 E518 K523 A524 F625 I885 V890	M515-L520 HydrophobicContact CB-CD2 4.01Å; M515-L520 HydrophobicContact CB-CG 3.86Å; M515-L520 HydrophobicContact CE-CD2 4.4Å; M515-L520 HydrophobicContact SD-CD2 4.17Å; D516-L520 WeakPolarHBondContact O-CB 3.32Å; D516-L520 VanDerWaalsContact O-CG 3.31Å; D516-L520 WeakPolarHBondContact O-CG 3.47Å; D516-L520 PolarHBondContact O-N 3.03Å; E518-L520 VanDerWaalsContact C-N 3.31Å; E518-L520 PolarHBondContact O-N 3.43Å; L520-K523 PolarHBondContact O-N 2.9Å; L520-A524 VanDerWaalsContact O-CB 3.31Å; L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.36Å; L520-F625 HydrophobicContact CD2-CE1 4.26Å; L520-F625 HydrophobicContact CD2-CZ 4.39Å; L520-F625 WeakPolarHBondContact O-CE1 3.29Å; L520-I885 HydrophobicContact CB-CG2 4.3Å; L520-I885 HydrophobicContact CD1-CG2 4.27Å; L520-V890 HydrophobicContact CD1-CB 4.38Å; L520-V890 HydrophobicContact CD1-CG1 4.2Å; L520-V890 HydrophobicContact CD1-CG2 3.58Å
521	F	90.2	Very high	86.3	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-45	175.6	-178.7	-95.1	0	0	0	111.4	R517 E518 K523 A524 R525 L628 L871 L874 V881 I885	R517-F521 WeakPolarHBondContact O-CB 3.46Å; R517-F521 PolarHBondContact O-N 3.43Å; E518-F521 WeakPolarHBondContact O-CB 3.36Å; E518-F521 PolarHBondContact O-N 3.43Å; E518-F521 VanDerWaalsContact O-N 3.14Å; F521-K523 PolarHBondContact O-N 2.97Å; F521-A524 CarbonylContact O-C 3.51Å; F521-A524 WeakPolarHBondContact O-CB 3.31Å; F521-A524 PolarHBondContact O-N 2.9Å; F521-R525 WeakPolarHBondContact O-CB 3.44Å; F521-R525 PolarHBondContact O-N 3.44Å; F521-L628 HydrophobicContact CD2-CD1 4.41Å; F521-L628 HydrophobicContact CD2-CD2 3.97Å; F521-L628 HydrophobicContact CE2-CD1 3.94Å; F521-L628 HydrophobicContact CE2-CD2 4.08Å; F521-L871 HydrophobicContact CZ-CD2 4.35Å; F521-L871 WeakPolarHBondContact CZ-O 3.45Å; F521-L874 HydrophobicContact CE2-CB 4.1Å; F521-L874 HydrophobicContact CZ-CB 4.07Å; F521-V881 HydrophobicContact CB-CG1 4.32Å; F521-V881 HydrophobicContact CD2-CG1 3.93Å; F521-V881 HydrophobicContact CD2-CG2 4.08Å; F521-V881 HydrophobicContact CE2-CG2 4.09Å; F521-V881 HydrophobicContact CG-CG1 4.34Å; F521-I885 HydrophobicContact CB-CD1 3.65Å; F521-I885 HydrophobicContact CD2-CD1 3.92Å; F521-I885 HydrophobicContact CG-CD1 4.29Å
522	E	88.2	Confident	86.2	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-41.8	177.4	-72.5	-69.5	127	0	0	112	E518 E519 R525 N526	E518-E522 WeakPolarHBondContact O-CG 3.38Å; E518-E522 PolarHBondContact O-N 2.91Å; E519-E522 PolarHBondContact O-N 3.45Å; E522-R525 VanDerWaalsContact CD-NH1 3.31Å; E522-R525 WeakPolarHBondContact O-CB 3.4Å; E522-R525 PolarHBondContact O-N 3.12Å; E522-R525 IonicContact OE1-CZ 2.69Å; E522-R525 IonicContact OE1-NH1 2.69Å; E522-R525 PolarHBondContact OE1-NH1 3.36Å; E522-R525 IonicContact OE1-NH2 2.97Å; E522-R525 IonicContact OE2-CZ 3.67Å; E522-R525 IonicContact OE2-NE 2.7Å; E522-R525 IonicContact OE2-NH1 3.87Å; E522-R525 PolarHBondContact OE2-NH1 2.8Å; E522-R525 VanDerWaalsContact OE2-NH1 3.12Å; E522-R525 IonicContact OE2-NH2 3.11Å; E522-R525 PolarHBondContact OE2-NH2 3.27Å; E522-N526 PolarHBondContact O-N 3.03Å; E522-N526 PolarHBondContact O-ND2 3.46Å
523	K	89.4	Confident	85.9	Confident	107 Å²	107	58.6 Å²	58.6	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-42.9	173.3	-176	176.7	177.2	-173.1	0	111.5	M515 E519 L520 F521 R525 N526 N527 F625	M515-K523 HydrophobicContact CE-CB 4.15Å; M515-K523 HydrophobicContact CE-CD 3.93Å; M515-K523 HydrophobicContact SD-CD 4.11Å; E519-K523 WeakPolarHBondContact O-CB 3.43Å; E519-K523 PolarHBondContact O-N 2.88Å; L520-K523 PolarHBondContact O-N 2.9Å; F521-K523 PolarHBondContact O-N 2.97Å; K523-R525 VanDerWaalsContact C-N 3.34Å; K523-N526 PolarHBondContact O-N 3.03Å; K523-N527 WeakPolarHBondContact O-CB 3.32Å; K523-N527 PolarHBondContact O-N 3.41Å; K523-F625 HydrophobicContact CB-CZ 4.44Å; K523-F625 HydrophobicContact CD-CZ 4.23Å; K523-F625 HydrophobicContact CG-CZ 4.19Å
524	A	89	Confident	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-40.8	176.2	0	0	0	0	0	111.5	L520 F521 N526 N527 I528 F625 L628	L520-A524 VanDerWaalsContact O-CB 3.31Å; L520-A524 WeakPolarHBondContact O-CB 3.46Å; L520-A524 PolarHBondContact O-N 3.36Å; F521-A524 CarbonylContact O-C 3.51Å; F521-A524 WeakPolarHBondContact O-CB 3.31Å; F521-A524 PolarHBondContact O-N 2.9Å; A524-N526 VanDerWaalsContact C-N 3.34Å; A524-N526 PolarHBondContact O-N 3.25Å; A524-N527 PolarHBondContact O-N 3.03Å; A524-I528 WeakPolarHBondContact O-CB 3.41Å; A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.42Å; A524-I528 PolarHBondContact O-N 3.17Å; A524-F625 HydrophobicContact CB-CB 4.42Å; A524-F625 HydrophobicContact CB-CD1 3.4Å; A524-F625 VanDerWaalsContact CB-CD1 3.4Å; A524-F625 HydrophobicContact CB-CD2 4.36Å; A524-F625 HydrophobicContact CB-CE1 3.63Å; A524-F625 HydrophobicContact CB-CG 3.81Å; A524-F625 HydrophobicContact CB-CZ 4.21Å; A524-L628 HydrophobicContact CB-CD2 3.55Å
525	R	89.5	Confident	85.1	Confident	65 Å²	65	49.2 Å²	49.2	25%	0.245	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-48.7	175.6	-169.4	-175	74.6	-156.4	-7.8	110.7	F521 E522 K523 I528 L529 L871	F521-R525 WeakPolarHBondContact O-CB 3.44Å; F521-R525 PolarHBondContact O-N 3.44Å; E522-R525 VanDerWaalsContact CD-NH1 3.31Å; E522-R525 WeakPolarHBondContact O-CB 3.4Å; E522-R525 PolarHBondContact O-N 3.12Å; E522-R525 IonicContact OE1-CZ 2.69Å; E522-R525 IonicContact OE1-NH1 2.69Å; E522-R525 PolarHBondContact OE1-NH1 3.36Å; E522-R525 IonicContact OE1-NH2 2.97Å; E522-R525 IonicContact OE2-CZ 3.67Å; E522-R525 IonicContact OE2-NE 2.7Å; E522-R525 IonicContact OE2-NH1 3.87Å; E522-R525 PolarHBondContact OE2-NH1 2.8Å; E522-R525 VanDerWaalsContact OE2-NH1 3.12Å; E522-R525 IonicContact OE2-NH2 3.11Å; E522-R525 PolarHBondContact OE2-NH2 3.27Å; K523-R525 VanDerWaalsContact C-N 3.34Å; R525-I528 PolarHBondContact O-N 3.08Å; R525-L529 HydrophobicContact CG-CD1 4.39Å; R525-L529 VanDerWaalsContact O-CG 3.29Å; R525-L529 WeakPolarHBondContact O-CG 3.42Å; R525-L529 PolarHBondContact O-N 3.18Å; R525-L529 VanDerWaalsContact O-N 3.08Å; R525-L871 HydrophobicContact CG-CB 4.2Å; R525-L871 HydrophobicContact CG-CD1 3.75Å; R525-L871 HydrophobicContact CG-CG 4.36Å
526	N	89	Confident	84.6	Confident	79 Å²	79	51.8 Å²	51.8	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-44.4	177.8	-65.3	-20.2	0	0	0	111.2	E522 K523 A524 I528 L529 D530	E522-N526 PolarHBondContact O-N 3.03Å; E522-N526 PolarHBondContact O-ND2 3.46Å; K523-N526 PolarHBondContact O-N 3.03Å; A524-N526 VanDerWaalsContact C-N 3.34Å; A524-N526 PolarHBondContact O-N 3.25Å; N526-I528 PolarHBondContact O-N 3.47Å; N526-L529 PolarHBondContact O-N 3.39Å; N526-D530 WeakPolarHBondContact O-CB 3.33Å; N526-D530 VanDerWaalsContact O-CG 3.22Å; N526-D530 PolarHBondContact O-N 3.05Å
527	N	87.3	Confident	84.5	Confident	54 Å²	54	52.4 Å²	52.4	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-41.9	177.6	-179	-111	0	0	0	113	K523 A524 L529 D530 D531 K629	K523-N527 WeakPolarHBondContact O-CB 3.32Å; K523-N527 PolarHBondContact O-N 3.41Å; A524-N527 PolarHBondContact O-N 3.03Å; N527-L529 VanDerWaalsContact C-N 3.34Å; N527-L529 PolarHBondContact O-N 3.46Å; N527-D530 PolarHBondContact O-N 2.8Å; N527-D531 WeakPolarHBondContact O-CB 3.4Å; N527-D531 VanDerWaalsContact O-CG 3.23Å; N527-D531 PolarHBondContact O-N 3.44Å; N527-K629 VanDerWaalsContact OD1-CE 3.25Å; N527-K629 WeakPolarHBondContact OD1-CE 3.25Å; N527-K629 PolarHBondContact OD1-NZ 2.64Å
528	I	87.5	Confident	84.4	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-40.3	176.8	-69.9	167.3	0	0	0	110.9	A524 R525 N526 D531 L532 L628 K629 V632 V867 L871	A524-I528 WeakPolarHBondContact O-CB 3.41Å; A524-I528 VanDerWaalsContact O-CG1 3.25Å; A524-I528 WeakPolarHBondContact O-CG1 3.42Å; A524-I528 PolarHBondContact O-N 3.17Å; R525-I528 PolarHBondContact O-N 3.08Å; N526-I528 PolarHBondContact O-N 3.47Å; I528-D531 PolarHBondContact O-N 3.25Å; I528-L532 WeakPolarHBondContact O-CG 3.35Å; I528-L532 PolarHBondContact O-N 2.96Å; I528-L628 HydrophobicContact CD1-CD2 4.23Å; I528-L628 HydrophobicContact CD1-CG 4.21Å; I528-K629 HydrophobicContact CD1-CG 4.07Å; I528-K629 HydrophobicContact CG1-CG 3.91Å; I528-V632 HydrophobicContact CD1-CG2 4.44Å; I528-V632 HydrophobicContact CG2-CG1 4.47Å; I528-V867 HydrophobicContact CG2-CG1 3.76Å; I528-L871 HydrophobicContact CB-CD1 4.43Å; I528-L871 HydrophobicContact CD1-CD2 4.1Å; I528-L871 HydrophobicContact CG2-CD1 4.14Å
529	L	86.9	Confident	84.5	Confident	29 Å²	29	48.5 Å²	48.5	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-39.4	176.8	-67.5	173.9	0	0	0	111.8	R525 N526 N527 L532 I533 V867 K868	R525-L529 HydrophobicContact CG-CD1 4.39Å; R525-L529 VanDerWaalsContact O-CG 3.29Å; R525-L529 WeakPolarHBondContact O-CG 3.42Å; R525-L529 PolarHBondContact O-N 3.18Å; R525-L529 VanDerWaalsContact O-N 3.08Å; N526-L529 PolarHBondContact O-N 3.39Å; N527-L529 VanDerWaalsContact C-N 3.34Å; N527-L529 PolarHBondContact O-N 3.46Å; L529-L532 HydrophobicContact CD2-CD1 4.49Å; L529-L532 WeakPolarHBondContact O-CB 3.35Å; L529-L532 PolarHBondContact O-N 3.39Å; L529-I533 WeakPolarHBondContact O-CG1 3.21Å; L529-I533 PolarHBondContact O-N 3.12Å; L529-V867 HydrophobicContact CD2-CG1 4.12Å; L529-K868 HydrophobicContact CD2-CG 3.79Å
530	D	84.2	Confident	84.5	Confident	97 Å²	97	47.3 Å²	47.3	52%	0.519	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175.1	-68.4	-25.9	0	0	0	111.7	N526 N527 L532 I533 S534	N526-D530 WeakPolarHBondContact O-CB 3.33Å; N526-D530 VanDerWaalsContact O-CG 3.22Å; N526-D530 PolarHBondContact O-N 3.05Å; N527-D530 PolarHBondContact O-N 2.8Å; D530-L532 VanDerWaalsContact C-N 3.26Å; D530-L532 PolarHBondContact O-N 2.71Å; D530-I533 PolarHBondContact O-N 2.84Å; D530-S534 PolarHBondContact O-N 3.41Å
531	D	81.1	Confident	84.5	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-38.1	174.7	-74.6	-14.5	0	0	0	111.2	N527 I528 S534 L612 K629	N527-D531 WeakPolarHBondContact O-CB 3.4Å; N527-D531 VanDerWaalsContact O-CG 3.23Å; N527-D531 PolarHBondContact O-N 3.44Å; I528-D531 PolarHBondContact O-N 3.25Å; D531-S534 WeakPolarHBondContact O-CB 3.18Å; D531-S534 PolarHBondContact O-N 3.46Å; D531-S534 PolarHBondContact O-OG 3.39Å; D531-L612 HydrophobicContact CB-CD2 4.42Å; D531-K629 IonicContact OD2-NZ 3.27Å; D531-K629 PolarHBondContact OD2-NZ 3Å
532	L	81.1	Confident	84.5	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-71.7	-40.6	175.6	-69.7	168.8	0	0	0	113	I528 L529 D530 S534 L535 L608 L863 V867	I528-L532 WeakPolarHBondContact O-CG 3.35Å; I528-L532 PolarHBondContact O-N 2.96Å; L529-L532 HydrophobicContact CD2-CD1 4.49Å; L529-L532 WeakPolarHBondContact O-CB 3.35Å; L529-L532 PolarHBondContact O-N 3.39Å; D530-L532 VanDerWaalsContact C-N 3.26Å; D530-L532 PolarHBondContact O-N 2.71Å; L532-S534 PolarHBondContact O-N 3.05Å; L532-L535 HydrophobicContact CD2-CD1 4.24Å; L532-L535 WeakPolarHBondContact O-CB 3.48Å; L532-L535 PolarHBondContact O-N 3.46Å; L532-L608 HydrophobicContact CD2-CD1 4.05Å; L532-L863 HydrophobicContact CD2-CD2 3.71Å; L532-L863 HydrophobicContact CD2-CG 4.15Å; L532-V867 HydrophobicContact CD1-CB 3.69Å; L532-V867 HydrophobicContact CD1-CG1 3.62Å; L532-V867 HydrophobicContact CD1-CG2 3.31Å; L532-V867 HydrophobicContact CD2-CG2 4.42Å; L532-V867 HydrophobicContact CG-CG2 4.47Å
533	I	78.9	Confident	84.5	Confident	96 Å²	96	51 Å²	51	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-34.4	173.8	-67.2	165.3	0	0	0	109.6	L529 D530 L535 N536	L529-I533 WeakPolarHBondContact O-CG1 3.21Å; L529-I533 PolarHBondContact O-N 3.12Å; D530-I533 PolarHBondContact O-N 2.84Å; I533-L535 PolarHBondContact O-N 3.27Å; I533-N536 WeakPolarHBondContact O-CB 3.3Å; I533-N536 PolarHBondContact O-N 3.33Å; I533-N536 VanDerWaalsContact O-N 3.14Å
534	S	78	Confident	84.6	Confident	31 Å²	31	49.2 Å²	49.2	22%	0.217	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-24.3	176.6	92.4	0	0	0	0	114.1	D530 D531 L532 N536 G537 K611	D530-S534 PolarHBondContact O-N 3.41Å; D531-S534 WeakPolarHBondContact O-CB 3.18Å; D531-S534 PolarHBondContact O-N 3.46Å; D531-S534 PolarHBondContact O-OG 3.39Å; L532-S534 PolarHBondContact O-N 3.05Å; S534-N536 VanDerWaalsContact C-N 3.35Å; S534-G537 PolarHBondContact O-N 3.43Å; S534-G537 VanDerWaalsContact O-N 3.16Å; S534-K611 WeakPolarHBondContact OG-CE 3.34Å
535	L	75	Confident	84.7	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-69.4	-32.1	174.4	-67.3	-178.6	0	0	0	112.9	L532 I533 G537 I538 L608 K611 L863	L532-L535 HydrophobicContact CD2-CD1 4.24Å; L532-L535 WeakPolarHBondContact O-CB 3.48Å; L532-L535 PolarHBondContact O-N 3.46Å; I533-L535 PolarHBondContact O-N 3.27Å; L535-G537 PolarHBondContact O-N 2.83Å; L535-I538 HydrophobicContact CD2-CD1 3.92Å; L535-I538 WeakPolarHBondContact O-CG1 3.43Å; L535-I538 PolarHBondContact O-N 3.25Å; L535-I538 VanDerWaalsContact O-N 3.14Å; L535-L608 HydrophobicContact CD1-CB 4.05Å; L535-L608 HydrophobicContact CD1-CD1 3.48Å; L535-L608 VanDerWaalsContact CD1-CD1 3.48Å; L535-L608 HydrophobicContact CD1-CG 4.31Å; L535-L608 HydrophobicContact CG-CD1 4.3Å; L535-K611 HydrophobicContact CD2-CB 3.7Å; L535-K611 HydrophobicContact CD2-CG 3.93Å; L535-L863 HydrophobicContact CD1-CD2 4.46Å
536	N	74.8	Confident	84.8	Confident	91 Å²	91	55.7 Å²	55.7	49%	0.487	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	173	-69.5	-24.1	0	0	0	112	I533 S534 I538 A860	I533-N536 WeakPolarHBondContact O-CB 3.3Å; I533-N536 PolarHBondContact O-N 3.33Å; I533-N536 VanDerWaalsContact O-N 3.14Å; S534-N536 VanDerWaalsContact C-N 3.35Å; N536-I538 VanDerWaalsContact C-N 3.29Å; N536-I538 PolarHBondContact O-N 2.93Å; N536-A860 WeakPolarHBondContact OD1-CB 3.35Å
537	G	80.2	Confident	85.1	Confident	68 Å²	68	51.9 Å²	51.9	70%	0.701	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.5	175.7	0	0	0	0	0	114.8	S534 L535 S539	S534-G537 PolarHBondContact O-N 3.43Å; S534-G537 VanDerWaalsContact O-N 3.16Å; L535-G537 PolarHBondContact O-N 2.83Å; G537-S539 PolarHBondContact O-N 3.42Å
538	I	83.6	Confident	85.4	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.128	29%	0.294	C	S	.	.	S	Bend	trans	-72.1	125	178.1	-60.3	171.5	0	0	0	109.3	L535 N536 V542 W543 Q607	L535-I538 HydrophobicContact CD2-CD1 3.92Å; L535-I538 WeakPolarHBondContact O-CG1 3.43Å; L535-I538 PolarHBondContact O-N 3.25Å; L535-I538 VanDerWaalsContact O-N 3.14Å; N536-I538 VanDerWaalsContact C-N 3.29Å; N536-I538 PolarHBondContact O-N 2.93Å; I538-V542 HydrophobicContact CG2-CB 4.12Å; I538-V542 HydrophobicContact CG2-CG1 4Å; I538-W543 HydrophobicContact CD1-CZ2 4.09Å; I538-W543 HydrophobicContact CG2-CG 4.38Å; I538-Q607 HydrophobicContact CD1-CB 4.1Å
539	S	87	Confident	85.6	Confident	57 Å²	57	57.5 Å²	57.5	40%	0.399	32%	0.317	S	S	.	.			trans	-59.7	146.3	-178.7	63.8	0	0	0	0	112.7	G537 T541 V542 W543	G537-S539 PolarHBondContact O-N 3.42Å; S539-T541 PolarHBondContact O-N 3.25Å; S539-T541 PolarHBondContact OG-OG1 3.16Å; S539-V542 PolarHBondContact O-N 3.14Å; S539-V542 WeakPolarHBondContact OG-CG2 3.39Å; S539-W543 PolarHBondContact O-N 2.75Å
540	S	86.3	Confident	85.9	Confident	50 Å²	50	59.1 Å²	59.1	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-56.5	-34.7	178.9	53.1	0	0	0	0	113.7	W543 E544 R852	S540-W543 PolarHBondContact O-N 3.15Å; S540-E544 PolarHBondContact O-N 3.39Å; S540-R852 WeakPolarHBondContact O-CD 3.26Å
541	T	88.6	Confident	86.4	Confident	90 Å²	90	54.5 Å²	54.5	55%	0.552	30%	0.299	S	S	*	.	H	α-helix	trans	-68.4	-37.3	-178.4	56.8	0	0	0	0	112.3	S539 K545	S539-T541 PolarHBondContact O-N 3.25Å; S539-T541 PolarHBondContact OG-OG1 3.16Å; T541-K545 WeakPolarHBondContact O-CB 3.29Å; T541-K545 PolarHBondContact O-N 3.01Å
542	V	88.4	Confident	87.1	Confident	56 Å²	56	55.6 Å²	55.6	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-67.2	-43.4	175.9	172.3	0	0	0	0	110.2	I538 S539 K545 N546	I538-V542 HydrophobicContact CG2-CB 4.12Å; I538-V542 HydrophobicContact CG2-CG1 4Å; S539-V542 PolarHBondContact O-N 3.14Å; S539-V542 WeakPolarHBondContact OG-CG2 3.39Å; V542-K545 PolarHBondContact O-N 3.08Å; V542-N546 WeakPolarHBondContact CG1-ND2 3.46Å; V542-N546 WeakPolarHBondContact O-CB 3.49Å; V542-N546 PolarHBondContact O-N 3.33Å; V542-N546 PolarHBondContact O-ND2 2.89Å
543	W	89.5	Confident	87.7	Confident	11 Å²	11	56.7 Å²	56.7	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-52.1	173.8	-81.2	112	0	0	0	112	I538 S539 S540 K545 N546 I547 Q607 R852 I855	I538-W543 HydrophobicContact CD1-CZ2 4.09Å; I538-W543 HydrophobicContact CG2-CG 4.38Å; S539-W543 PolarHBondContact O-N 2.75Å; S540-W543 PolarHBondContact O-N 3.15Å; W543-K545 VanDerWaalsContact C-N 3.29Å; W543-K545 PolarHBondContact O-N 2.98Å; W543-N546 PolarHBondContact O-N 3.39Å; W543-I547 HydrophobicContact CB-CD1 4.4Å; W543-I547 HydrophobicContact CE3-CD1 4.25Å; W543-I547 HydrophobicContact CE3-CG1 4.47Å; W543-I547 WeakPolarHBondContact O-CB 3.44Å; W543-I547 WeakPolarHBondContact O-CD1 3.39Å; W543-I547 WeakPolarHBondContact O-CG1 3.44Å; W543-I547 PolarHBondContact O-N 3.44Å; W543-Q607 HydrophobicContact CE3-CG 4.17Å; W543-Q607 HydrophobicContact CH2-CB 3.61Å; W543-Q607 HydrophobicContact CH2-CG 3.54Å; W543-Q607 HydrophobicContact CZ2-CB 4.12Å; W543-Q607 HydrophobicContact CZ2-CG 4.1Å; W543-Q607 HydrophobicContact CZ3-CB 4.14Å; W543-Q607 HydrophobicContact CZ3-CG 3.59Å; W543-R852 HydrophobicContact CB-CG 3.82Å; W543-R852 HydrophobicContact CG-CG 4.45Å; W543-I855 HydrophobicContact CE3-CD1 4.33Å; W543-I855 HydrophobicContact CE3-CG2 4.48Å; W543-I855 HydrophobicContact CH2-CG2 4.07Å; W543-I855 HydrophobicContact CZ2-CG2 4.17Å; W543-I855 HydrophobicContact CZ3-CD1 4.21Å; W543-I855 HydrophobicContact CZ3-CG2 4.23Å
544	E	89.8	Confident	88.4	Confident	68 Å²	68	56.8 Å²	56.8	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-42.3	-179.9	-90.3	162.7	-154.5	0	0	112.3	S540 H548 S848 R852	S540-E544 PolarHBondContact O-N 3.39Å; E544-H548 WeakPolarHBondContact O-CB 3.4Å; E544-H548 PolarHBondContact O-N 3.4Å; E544-S848 WeakPolarHBondContact CA-OG 3.4Å; E544-S848 PolarHBondContact O-OG 2.97Å; E544-R852 WeakPolarHBondContact OE1-CD 3.37Å; E544-R852 IonicContact OE1-CZ 3.56Å; E544-R852 IonicContact OE1-NE 3.23Å; E544-R852 PolarHBondContact OE1-NE 2.94Å; E544-R852 IonicContact OE1-NH2 3.26Å
545	K	91.6	Very high	89.1	Confident	157 Å²	157	55.5 Å²	55.5	68%	0.683	30%	0.295	S	S	*	.	H	α-helix	trans	-65.7	-46.1	178.1	-174.2	-179.7	178.4	-176.7	0	112.2	T541 V542 W543 H548 Y549	T541-K545 WeakPolarHBondContact O-CB 3.29Å; T541-K545 PolarHBondContact O-N 3.01Å; V542-K545 PolarHBondContact O-N 3.08Å; W543-K545 VanDerWaalsContact C-N 3.29Å; W543-K545 PolarHBondContact O-N 2.98Å; K545-H548 PolarHBondContact O-N 2.96Å; K545-Y549 WeakPolarHBondContact O-CB 3.25Å; K545-Y549 PolarHBondContact O-N 3.26Å
546	N	92.6	Very high	90	Very high	44 Å²	44	58.1 Å²	58.1	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-69.2	-42.2	-178.1	-67.8	-14.8	0	0	0	111.2	V542 W543 Y549 E550 Q607	V542-N546 WeakPolarHBondContact CG1-ND2 3.46Å; V542-N546 WeakPolarHBondContact O-CB 3.49Å; V542-N546 PolarHBondContact O-N 3.33Å; V542-N546 PolarHBondContact O-ND2 2.89Å; W543-N546 PolarHBondContact O-N 3.39Å; N546-Y549 PolarHBondContact O-N 3.4Å; N546-E550 WeakPolarHBondContact O-CG 3.46Å; N546-E550 PolarHBondContact O-N 2.98Å; N546-Q607 PolarHBondContact ND2-NE2 3.33Å
547	I	94.1	Very high	90.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-46	174.6	-64.7	164.7	0	0	0	110.1	W543 Y549 E550 L551 T603 L851 R852 I855	W543-I547 HydrophobicContact CB-CD1 4.4Å; W543-I547 HydrophobicContact CE3-CD1 4.25Å; W543-I547 HydrophobicContact CE3-CG1 4.47Å; W543-I547 WeakPolarHBondContact O-CB 3.44Å; W543-I547 WeakPolarHBondContact O-CD1 3.39Å; W543-I547 WeakPolarHBondContact O-CG1 3.44Å; W543-I547 PolarHBondContact O-N 3.44Å; I547-Y549 VanDerWaalsContact C-N 3.32Å; I547-Y549 PolarHBondContact O-N 2.77Å; I547-E550 PolarHBondContact O-N 3.19Å; I547-L551 WeakPolarHBondContact O-CB 3.44Å; I547-L551 PolarHBondContact O-N 3.22Å; I547-T603 HydrophobicContact CG1-CG2 4.17Å; I547-L851 HydrophobicContact CD1-CB 4.28Å; I547-L851 HydrophobicContact CG2-CB 4.26Å; I547-L851 HydrophobicContact CG2-CD1 3.84Å; I547-R852 HydrophobicContact CD1-CB 4.1Å; I547-I855 HydrophobicContact CD1-CD1 3.88Å
548	H	93.5	Very high	91.4	Very high	46 Å²	46	56.9 Å²	56.9	21%	0.213	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-43.1	178.3	-172.9	103.2	0	0	0	111.9	E544 K545 W552 N845	E544-H548 WeakPolarHBondContact O-CB 3.4Å; E544-H548 PolarHBondContact O-N 3.4Å; K545-H548 PolarHBondContact O-N 2.96Å; H548-W552 WeakPolarHBondContact O-CB 3.21Å; H548-W552 PolarHBondContact O-N 3Å; H548-N845 PolarHBondContact CE1-OD1 2.74Å; H548-N845 PolarHBondContact ND1-OD1 3.42Å
549	Y	93.2	Very high	91.9	Very high	138 Å²	138	55.7 Å²	55.7	54%	0.541	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-50	178	178.6	-100.8	0	0	0	112.8	K545 N546 I547 W552 N553	K545-Y549 WeakPolarHBondContact O-CB 3.25Å; K545-Y549 PolarHBondContact O-N 3.26Å; N546-Y549 PolarHBondContact O-N 3.4Å; I547-Y549 VanDerWaalsContact C-N 3.32Å; I547-Y549 PolarHBondContact O-N 2.77Å; Y549-W552 PolarHBondContact O-N 3.46Å; Y549-N553 WeakPolarHBondContact CE1-ND2 3.25Å; Y549-N553 WeakPolarHBondContact O-CB 3.4Å; Y549-N553 PolarHBondContact O-N 3.48Å; Y549-N553 PolarHBondContact O-ND2 3.4Å; Y549-N553 PolarHBondContact OH-ND2 3.1Å
550	E	93.1	Very high	92.1	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-39.1	179.5	-69.1	-62	165.2	0	0	112	N546 I547 N553 K554 T603	N546-E550 WeakPolarHBondContact O-CG 3.46Å; N546-E550 PolarHBondContact O-N 2.98Å; I547-E550 PolarHBondContact O-N 3.19Å; E550-N553 PolarHBondContact O-N 2.94Å; E550-K554 WeakPolarHBondContact O-CB 3.29Å; E550-K554 PolarHBondContact O-N 3.36Å; E550-T603 HydrophobicContact CB-CG2 3.57Å; E550-T603 HydrophobicContact CG-CG2 3.5Å
551	L	94.8	Very high	92.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-50.4	174.8	-172.3	69.8	0	0	0	110.5	I547 N553 K554 L555 T599 M844 T847	I547-L551 WeakPolarHBondContact O-CB 3.44Å; I547-L551 PolarHBondContact O-N 3.22Å; L551-N553 VanDerWaalsContact C-N 3.32Å; L551-N553 PolarHBondContact O-N 2.91Å; L551-K554 PolarHBondContact O-N 2.85Å; L551-L555 HydrophobicContact CD1-CD1 3.68Å; L551-L555 HydrophobicContact CD1-CG 4.12Å; L551-L555 HydrophobicContact CD2-CD1 4.38Å; L551-L555 HydrophobicContact CG-CD1 3.66Å; L551-L555 HydrophobicContact CG-CG 4.29Å; L551-L555 WeakPolarHBondContact O-CB 3.47Å; L551-L555 WeakPolarHBondContact O-CG 3.43Å; L551-L555 PolarHBondContact O-N 3.22Å; L551-T599 HydrophobicContact CD1-CG2 4.39Å; L551-T599 WeakPolarHBondContact CD1-OG1 3.17Å; L551-M844 HydrophobicContact CD2-CB 4.29Å; L551-M844 HydrophobicContact CD2-CG 4.14Å; L551-T847 HydrophobicContact CD1-CG2 4.5Å; L551-T847 HydrophobicContact CD2-CG2 3.88Å
552	W	94.8	Very high	92.3	Very high	39 Å²	39	54.2 Å²	54.2	15%	0.148	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-44.9	176.2	176.4	-107.2	0	0	0	112	H548 Y549 K554 L555 K556 I559 L675 A679 F837 M844	H548-W552 WeakPolarHBondContact O-CB 3.21Å; H548-W552 PolarHBondContact O-N 3Å; Y549-W552 PolarHBondContact O-N 3.46Å; W552-K554 VanDerWaalsContact C-N 3.31Å; W552-K554 PolarHBondContact O-N 3.45Å; W552-L555 PolarHBondContact O-N 3.39Å; W552-K556 HydrophobicContact CD2-CB 4.29Å; W552-K556 HydrophobicContact CZ2-CB 4.02Å; W552-K556 VanDerWaalsContact O-CB 3.24Å; W552-K556 WeakPolarHBondContact O-CB 3.38Å; W552-K556 WeakPolarHBondContact O-CG 2.81Å; W552-K556 PolarHBondContact O-N 3.27Å; W552-I559 HydrophobicContact CE3-CD1 4.3Å; W552-I559 HydrophobicContact CZ3-CD1 3.79Å; W552-L675 HydrophobicContact CE3-CD2 4.46Å; W552-L675 HydrophobicContact CH2-CD2 3.93Å; W552-L675 HydrophobicContact CZ3-CD2 3.86Å; W552-A679 HydrophobicContact CH2-CB 3.65Å; W552-A679 HydrophobicContact CZ2-CB 3.35Å; W552-F837 AromaticContact CH2-CE1 3.98Å; W552-F837 HydrophobicContact CH2-CE1 3.98Å; W552-M844 HydrophobicContact CB-SD 4.36Å; W552-M844 HydrophobicContact CD2-SD 4.49Å; W552-M844 HydrophobicContact CE3-CE 3.89Å; W552-M844 HydrophobicContact CE3-SD 3.58Å; W552-M844 VanDerWaalsContact CE3-SD 3.58Å; W552-M844 HydrophobicContact CZ3-CE 4.22Å; W552-M844 HydrophobicContact CZ3-SD 4.31Å
553	N	93.6	Very high	92.5	Very high	45 Å²	45	51.5 Å²	51.5	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-36.8	179.6	-82.5	-30	0	0	0	113.5	Y549 E550 L551 K556	Y549-N553 WeakPolarHBondContact CE1-ND2 3.25Å; Y549-N553 WeakPolarHBondContact O-CB 3.4Å; Y549-N553 PolarHBondContact O-N 3.48Å; Y549-N553 PolarHBondContact O-ND2 3.4Å; Y549-N553 PolarHBondContact OH-ND2 3.1Å; E550-N553 PolarHBondContact O-N 2.94Å; L551-N553 VanDerWaalsContact C-N 3.32Å; L551-N553 PolarHBondContact O-N 2.91Å; N553-K556 PolarHBondContact OD1-NZ 3.12Å
554	K	93.1	Very high	92.5	Very high	98 Å²	98	51.1 Å²	51.1	43%	0.426	23%	0.233	S	C	.	.	H	α-helix	trans	-73.1	-37.5	175.9	-171.4	75.3	171.3	-162.8	0	112.1	E550 L551 W552 E598 T599	E550-K554 WeakPolarHBondContact O-CB 3.29Å; E550-K554 PolarHBondContact O-N 3.36Å; L551-K554 PolarHBondContact O-N 2.85Å; W552-K554 VanDerWaalsContact C-N 3.31Å; W552-K554 PolarHBondContact O-N 3.45Å; K554-E598 VanDerWaalsContact CE-OE2 3.26Å; K554-E598 WeakPolarHBondContact CE-OE2 3.4Å; K554-E598 IonicContact NZ-OE1 3.07Å; K554-E598 PolarHBondContact NZ-OE1 3.04Å; K554-E598 IonicContact NZ-OE2 3.23Å; K554-E598 PolarHBondContact NZ-OE2 2.97Å; K554-T599 HydrophobicContact CB-CG2 3.51Å; K554-T599 HydrophobicContact CD-CG2 4.48Å; K554-T599 HydrophobicContact CG-CG2 3.72Å
555	L	93.6	Very high	92.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-91	-25.6	-171.8	-59.8	-178	0	0	0	114.2	L551 W552 D557 Y558 I559 W587 L592 A595 M843	L551-L555 HydrophobicContact CD1-CD1 3.68Å; L551-L555 HydrophobicContact CD1-CG 4.12Å; L551-L555 HydrophobicContact CD2-CD1 4.38Å; L551-L555 HydrophobicContact CG-CD1 3.66Å; L551-L555 HydrophobicContact CG-CG 4.29Å; L551-L555 WeakPolarHBondContact O-CB 3.47Å; L551-L555 WeakPolarHBondContact O-CG 3.43Å; L551-L555 PolarHBondContact O-N 3.22Å; W552-L555 PolarHBondContact O-N 3.39Å; L555-D557 VanDerWaalsContact C-N 3.28Å; L555-D557 PolarHBondContact O-N 3.15Å; L555-Y558 WeakPolarHBondContact O-CB 3.48Å; L555-Y558 PolarHBondContact O-N 2.88Å; L555-Y558 VanDerWaalsContact O-N 3.09Å; L555-I559 HydrophobicContact CB-CD1 4.06Å; L555-I559 WeakPolarHBondContact O-CG1 3.04Å; L555-I559 PolarHBondContact O-N 3.21Å; L555-W587 HydrophobicContact CB-CH2 4.3Å; L555-W587 HydrophobicContact CB-CZ2 4Å; L555-W587 HydrophobicContact CD1-CH2 3.96Å; L555-W587 HydrophobicContact CD1-CZ2 3.97Å; L555-W587 HydrophobicContact CD2-CZ2 3.78Å; L555-W587 HydrophobicContact CG-CZ2 4.11Å; L555-L592 HydrophobicContact CD1-CD1 3.43Å; L555-L592 VanDerWaalsContact CD1-CD1 3.43Å; L555-L592 HydrophobicContact CD2-CD1 3.86Å; L555-L592 HydrophobicContact CG-CD1 4.3Å; L555-A595 HydrophobicContact CD2-CB 3.92Å; L555-M843 HydrophobicContact CD1-CE 4.34Å
556	K	92.9	Very high	92.1	Very high	71 Å²	71	43.8 Å²	43.8	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-53.3	-41.9	-172.5	65.5	-172.6	178.4	-171.5	0	113.2	W552 N553 Y558 I559 F560	W552-K556 HydrophobicContact CD2-CB 4.29Å; W552-K556 HydrophobicContact CZ2-CB 4.02Å; W552-K556 VanDerWaalsContact O-CB 3.24Å; W552-K556 WeakPolarHBondContact O-CB 3.38Å; W552-K556 WeakPolarHBondContact O-CG 2.81Å; W552-K556 PolarHBondContact O-N 3.27Å; N553-K556 PolarHBondContact OD1-NZ 3.12Å; K556-Y558 PolarHBondContact O-N 3.28Å; K556-I559 PolarHBondContact O-N 3.25Å; K556-F560 VanDerWaalsContact O-CD2 3.3Å; K556-F560 WeakPolarHBondContact O-CD2 3.38Å; K556-F560 PolarHBondContact O-N 3.41Å
557	D	91.7	Very high	91.8	Very high	89 Å²	89	41.7 Å²	41.7	48%	0.476	19%	0.194	S	C	.	.	H	α-helix	trans	-66.8	-39.5	-177.6	-172.2	62.3	0	0	0	112.1	L555 T561 R683	L555-D557 VanDerWaalsContact C-N 3.28Å; L555-D557 PolarHBondContact O-N 3.15Å; D557-T561 WeakPolarHBondContact O-CB 3.44Å; D557-T561 PolarHBondContact O-N 3.17Å; D557-T561 PolarHBondContact O-OG1 3.09Å; D557-R683 IonicContact OD1-NH1 3.26Å; D557-R683 PolarHBondContact OD1-NH1 3.28Å; D557-R683 VanDerWaalsContact OD1-NH1 3.17Å
558	Y	93.4	Very high	91.3	Very high	43 Å²	43	42.1 Å²	42.1	17%	0.169	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-46.5	173.4	-175.1	-85	0	0	0	111.4	L555 K556 F560 T561 K562 I563 W587 K591	L555-Y558 WeakPolarHBondContact O-CB 3.48Å; L555-Y558 PolarHBondContact O-N 2.88Å; L555-Y558 VanDerWaalsContact O-N 3.09Å; K556-Y558 PolarHBondContact O-N 3.28Å; Y558-F560 VanDerWaalsContact C-N 3.33Å; Y558-F560 PolarHBondContact O-N 3.41Å; Y558-T561 PolarHBondContact O-N 3.05Å; Y558-K562 HydrophobicContact CD1-CB 4.3Å; Y558-K562 HydrophobicContact CD2-CB 4.38Å; Y558-K562 HydrophobicContact CD2-CG 3.93Å; Y558-K562 HydrophobicContact CE1-CB 4.02Å; Y558-K562 HydrophobicContact CE2-CB 4.14Å; Y558-K562 HydrophobicContact CE2-CG 3.79Å; Y558-K562 HydrophobicContact CG-CB 4.47Å; Y558-K562 HydrophobicContact CG-CG 4.4Å; Y558-K562 VanDerWaalsContact O-CB 3.31Å; Y558-K562 WeakPolarHBondContact O-CB 3.17Å; Y558-K562 PolarHBondContact O-N 3.36Å; Y558-I563 HydrophobicContact CD1-CD1 4.43Å; Y558-I563 HydrophobicContact CE1-CD1 4.23Å; Y558-I563 HydrophobicContact CE1-CG1 4.35Å; Y558-W587 AromaticContact CD1-CD1 3.57Å; Y558-W587 AromaticContact CD1-CD2 3.96Å; Y558-W587 HydrophobicContact CD1-CD2 3.96Å; Y558-W587 AromaticContact CD1-CE2 3.49Å; Y558-W587 VanDerWaalsContact CD1-CE2 3.49Å; Y558-W587 AromaticContact CD1-CG 3.96Å; Y558-W587 HydrophobicContact CD1-CG 3.96Å; Y558-W587 AromaticContact CD1-CZ2 3.97Å; Y558-W587 HydrophobicContact CD1-CZ2 3.97Å; Y558-W587 AromaticContact CD1-NE1 3.28Å; Y558-W587 VanDerWaalsContact CD1-NE1 3.28Å; Y558-W587 HydrophobicContact CE1-CB 3.82Å; Y558-W587 AromaticContact CE1-CD1 3.08Å; Y558-W587 AromaticContact CE1-CD2 3.74Å; Y558-W587 HydrophobicContact CE1-CD2 3.74Å; Y558-W587 AromaticContact CE1-CE2 3.73Å; Y558-W587 AromaticContact CE1-CG 3.3Å; Y558-W587 HydrophobicContact CE1-CG 3.3Å; Y558-W587 AromaticContact CE1-NE1 3.37Å; Y558-W587 AromaticContact CG-NE1 3.78Å; Y558-W587 AromaticContact CZ-CD1 3.33Å; Y558-W587 AromaticContact CZ-CG 3.84Å; Y558-W587 AromaticContact CZ-NE1 3.89Å; Y558-K591 HydrophobicContact CD2-CD 4.49Å; Y558-K591 HydrophobicContact CE2-CD 3.8Å
559	I	93.3	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-58.2	-47	-179.6	-65.9	166.7	0	0	0	110	W552 L555 K556 I563 I564 W587 L840	W552-I559 HydrophobicContact CE3-CD1 4.3Å; W552-I559 HydrophobicContact CZ3-CD1 3.79Å; L555-I559 HydrophobicContact CB-CD1 4.06Å; L555-I559 WeakPolarHBondContact O-CG1 3.04Å; L555-I559 PolarHBondContact O-N 3.21Å; K556-I559 PolarHBondContact O-N 3.25Å; I559-I563 WeakPolarHBondContact O-CA 3.07Å; I559-I563 VanDerWaalsContact O-CB 3.26Å; I559-I563 WeakPolarHBondContact O-CB 3.15Å; I559-I563 PolarHBondContact O-N 3.24Å; I559-I563 VanDerWaalsContact O-N 3.12Å; I559-I564 HydrophobicContact CG2-CD1 3.69Å; I559-I564 HydrophobicContact CG2-CG1 4.06Å; I559-I564 PolarHBondContact O-N 3.14Å; I559-W587 HydrophobicContact CD1-CH2 3.93Å; I559-W587 HydrophobicContact CG1-CH2 3.67Å; I559-W587 HydrophobicContact CG1-CZ2 4.11Å; I559-W587 HydrophobicContact CG1-CZ3 4.36Å; I559-L840 HydrophobicContact CD1-CD1 4.39Å; I559-L840 HydrophobicContact CD1-CD2 4.38Å; I559-L840 HydrophobicContact CG2-CD1 3.8Å
560	F	92	Very high	90.3	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.022	18%	0.181	C	C	.	.	I	π-helix	trans	-67.6	-55.1	178.4	-83.5	-79.2	0	0	0	112.1	K556 Y558 K562 I564 E565 A679 V680 R683 L774	K556-F560 VanDerWaalsContact O-CD2 3.3Å; K556-F560 WeakPolarHBondContact O-CD2 3.38Å; K556-F560 PolarHBondContact O-N 3.41Å; Y558-F560 VanDerWaalsContact C-N 3.33Å; Y558-F560 PolarHBondContact O-N 3.41Å; F560-K562 PolarHBondContact O-N 3.07Å; F560-I564 HydrophobicContact CD1-CB 4.17Å; F560-I564 HydrophobicContact CD1-CD1 3.69Å; F560-I564 HydrophobicContact CD1-CG2 4.24Å; F560-I564 HydrophobicContact CD2-CD1 4.36Å; F560-I564 HydrophobicContact CE1-CD1 3.62Å; F560-I564 HydrophobicContact CE1-CG2 4.38Å; F560-I564 HydrophobicContact CE2-CD1 4.29Å; F560-I564 HydrophobicContact CG-CD1 4.07Å; F560-I564 HydrophobicContact CZ-CD1 3.93Å; F560-I564 PolarHBondContact O-N 3.37Å; F560-E565 WeakPolarHBondContact O-CB 3.22Å; F560-E565 VanDerWaalsContact O-CG 3.3Å; F560-E565 WeakPolarHBondContact O-CG 3.33Å; F560-E565 PolarHBondContact O-N 3.22Å; F560-A679 HydrophobicContact CE2-CB 4.01Å; F560-A679 HydrophobicContact CZ-CB 3.86Å; F560-V680 HydrophobicContact CE1-CG2 4.47Å; F560-V680 HydrophobicContact CZ-CG2 4.48Å; F560-R683 HydrophobicContact CD1-CB 4.24Å; F560-R683 HydrophobicContact CD1-CG 3.85Å; F560-R683 HydrophobicContact CD2-CB 4.36Å; F560-R683 HydrophobicContact CD2-CG 4.37Å; F560-R683 HydrophobicContact CE1-CB 3.95Å; F560-R683 HydrophobicContact CE1-CG 4.05Å; F560-R683 HydrophobicContact CE2-CB 4.1Å; F560-R683 HydrophobicContact CG-CB 4.44Å; F560-R683 HydrophobicContact CG-CG 4.03Å; F560-R683 HydrophobicContact CZ-CB 3.89Å; F560-R683 HydrophobicContact CZ-CG 4.41Å; F560-L774 HydrophobicContact CD1-CD2 4.33Å; F560-L774 HydrophobicContact CE1-CD2 3.87Å
561	T	89.8	Confident	89.3	Confident	47 Å²	47	40 Å²	40	29%	0.288	20%	0.195	S	C	.	.	I	π-helix	trans	-70.5	-31.9	-170.4	-51	0	0	0	0	113.4	D557 Y558	D557-T561 WeakPolarHBondContact O-CB 3.44Å; D557-T561 PolarHBondContact O-N 3.17Å; D557-T561 PolarHBondContact O-OG1 3.09Å; Y558-T561 PolarHBondContact O-N 3.05Å
562	K	90.5	Very high	88.5	Confident	114 Å²	114	44.3 Å²	44.3	50%	0.496	22%	0.218	S	C	.	.	I	π-helix	trans	-108.7	-19.3	-173.9	-60.5	-59.1	-176.6	-172.9	0	114.7	Y558 F560	Y558-K562 HydrophobicContact CD1-CB 4.3Å; Y558-K562 HydrophobicContact CD2-CB 4.38Å; Y558-K562 HydrophobicContact CD2-CG 3.93Å; Y558-K562 HydrophobicContact CE1-CB 4.02Å; Y558-K562 HydrophobicContact CE2-CB 4.14Å; Y558-K562 HydrophobicContact CE2-CG 3.79Å; Y558-K562 HydrophobicContact CG-CB 4.47Å; Y558-K562 HydrophobicContact CG-CG 4.4Å; Y558-K562 VanDerWaalsContact O-CB 3.31Å; Y558-K562 WeakPolarHBondContact O-CB 3.17Å; Y558-K562 PolarHBondContact O-N 3.36Å; F560-K562 PolarHBondContact O-N 3.07Å
563	I	91.1	Very high	87.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-116.6	-63.4	-177.6	-50.4	176.2	0	0	0	109.8	Y558 I559 S567 W583 L584 W587 L836	Y558-I563 HydrophobicContact CD1-CD1 4.43Å; Y558-I563 HydrophobicContact CE1-CD1 4.23Å; Y558-I563 HydrophobicContact CE1-CG1 4.35Å; I559-I563 WeakPolarHBondContact O-CA 3.07Å; I559-I563 VanDerWaalsContact O-CB 3.26Å; I559-I563 WeakPolarHBondContact O-CB 3.15Å; I559-I563 PolarHBondContact O-N 3.24Å; I559-I563 VanDerWaalsContact O-N 3.12Å; I563-S567 WeakPolarHBondContact O-CB 3.48Å; I563-S567 PolarHBondContact O-N 3.49Å; I563-S567 PolarHBondContact O-OG 3.38Å; I563-W583 HydrophobicContact CG2-CE3 4.34Å; I563-L584 HydrophobicContact CD1-CD2 3.76Å; I563-W587 HydrophobicContact CD1-CE3 4.23Å; I563-W587 HydrophobicContact CD1-CZ3 4.5Å; I563-L836 HydrophobicContact CG2-CD2 3.94Å
564	I	89.7	Confident	86.9	Confident	2 Å²	2	43 Å²	43	1%	0.01	22%	0.217	C	C	.	.	I	π-helix	trans	-68.2	-55	-170.6	-60.4	170.2	0	0	0	111.7	I559 F560 S567 Q568 F837	I559-I564 HydrophobicContact CG2-CD1 3.69Å; I559-I564 HydrophobicContact CG2-CG1 4.06Å; I559-I564 PolarHBondContact O-N 3.14Å; F560-I564 HydrophobicContact CD1-CB 4.17Å; F560-I564 HydrophobicContact CD1-CD1 3.69Å; F560-I564 HydrophobicContact CD1-CG2 4.24Å; F560-I564 HydrophobicContact CD2-CD1 4.36Å; F560-I564 HydrophobicContact CE1-CD1 3.62Å; F560-I564 HydrophobicContact CE1-CG2 4.38Å; F560-I564 HydrophobicContact CE2-CD1 4.29Å; F560-I564 HydrophobicContact CG-CD1 4.07Å; F560-I564 HydrophobicContact CZ-CD1 3.93Å; F560-I564 PolarHBondContact O-N 3.37Å; I564-S567 WeakPolarHBondContact CA-OG 3.3Å; I564-S567 WeakPolarHBondContact O-CA 3.39Å; I564-S567 WeakPolarHBondContact O-CB 3.34Å; I564-S567 PolarHBondContact O-N 2.92Å; I564-S567 PolarHBondContact O-OG 3.45Å; I564-Q568 HydrophobicContact CG2-CG 4.41Å; I564-Q568 WeakPolarHBondContact O-CG 3.5Å; I564-Q568 PolarHBondContact O-N 3.42Å; I564-F837 HydrophobicContact CD1-CE2 3.43Å; I564-F837 VanDerWaalsContact CD1-CE2 3.43Å; I564-F837 HydrophobicContact CD1-CZ 3.47Å; I564-F837 VanDerWaalsContact CD1-CZ 3.47Å; I564-F837 HydrophobicContact CG1-CE2 4.15Å
565	E	87.2	Confident	86.4	Confident	24 Å²	24	41.4 Å²	41.4	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-44	-175.5	-68.3	167.5	-170.4	0	0	111.8	F560 S567 H569 R683	F560-E565 WeakPolarHBondContact O-CB 3.22Å; F560-E565 VanDerWaalsContact O-CG 3.3Å; F560-E565 WeakPolarHBondContact O-CG 3.33Å; F560-E565 PolarHBondContact O-N 3.22Å; E565-S567 PolarHBondContact O-N 3Å; E565-H569 PolarHBondContact O-CE1 3.49Å; E565-H569 PolarHBondContact O-ND1 2.9Å; E565-R683 IonicContact OE1-CZ 3.46Å; E565-R683 IonicContact OE1-NE 2.96Å; E565-R683 PolarHBondContact OE1-NE 3.02Å; E565-R683 IonicContact OE1-NH2 3.54Å; E565-R683 PolarHBondContact OE1-NH2 3.26Å
566	P	87	Confident	86	Confident	47 Å²	47	41.6 Å²	41.6	31%	0.305	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-38.3	170.6	-25.2	36.6	0	0	0	113.4	Q568 H569 W583	P566-Q568 VanDerWaalsContact C-N 3.28Å; P566-Q568 PolarHBondContact O-N 3.47Å; P566-H569 PolarHBondContact O-N 2.84Å; P566-W583 HydrophobicContact CB-CH2 3.75Å; P566-W583 HydrophobicContact CB-CZ2 4.06Å; P566-W583 HydrophobicContact CB-CZ3 4.32Å
567	S	86.4	Confident	85.7	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-27.2	-177.6	79.6	0	0	0	0	114.1	I563 I564 E565 H569 I570 F576	I563-S567 WeakPolarHBondContact O-CB 3.48Å; I563-S567 PolarHBondContact O-N 3.49Å; I563-S567 PolarHBondContact O-OG 3.38Å; I564-S567 WeakPolarHBondContact CA-OG 3.3Å; I564-S567 WeakPolarHBondContact O-CA 3.39Å; I564-S567 WeakPolarHBondContact O-CB 3.34Å; I564-S567 PolarHBondContact O-N 2.92Å; I564-S567 PolarHBondContact O-OG 3.45Å; E565-S567 PolarHBondContact O-N 3Å; S567-H569 PolarHBondContact O-N 3.14Å; S567-H569 VanDerWaalsContact O-N 3.16Å; S567-I570 PolarHBondContact O-N 3.5Å; S567-I570 VanDerWaalsContact O-N 3.12Å; S567-F576 VanDerWaalsContact CB-CE2 3.42Å
568	Q	83	Confident	85.6	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.037	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.5	179.9	-75.6	170.9	-20.3	0	0	113.1	I564 P566 Y773	I564-Q568 HydrophobicContact CG2-CG 4.41Å; I564-Q568 WeakPolarHBondContact O-CG 3.5Å; I564-Q568 PolarHBondContact O-N 3.42Å; P566-Q568 VanDerWaalsContact C-N 3.28Å; P566-Q568 PolarHBondContact O-N 3.47Å; Q568-Y773 HydrophobicContact CB-CD1 4.06Å; Q568-Y773 HydrophobicContact CB-CE1 4.33Å; Q568-Y773 HydrophobicContact CB-CG 4.2Å; Q568-Y773 HydrophobicContact CG-CD1 4.45Å; Q568-Y773 VanDerWaalsContact OE1-CB 3.26Å
569	H	82.5	Confident	85.4	Confident	70 Å²	70	40.8 Å²	40.8	32%	0.324	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.5	179.9	-56.9	93.8	0	0	0	113.8	E565 P566 S567 A735 Y773	E565-H569 PolarHBondContact O-CE1 3.49Å; E565-H569 PolarHBondContact O-ND1 2.9Å; P566-H569 PolarHBondContact O-N 2.84Å; S567-H569 PolarHBondContact O-N 3.14Å; S567-H569 VanDerWaalsContact O-N 3.16Å; H569-A735 WeakPolarHBondContact NE2-CA 3.39Å; H569-A735 WeakPolarHBondContact NE2-CB 3.04Å; H569-A735 PolarHBondContact NE2-N 2.93Å; H569-Y773 AromaticContact NE2-CE2 3.68Å
570	I	83	Confident	85.3	Confident	22 Å²	22	40.9 Å²	40.9	11%	0.113	22%	0.22	C	C	.	.			trans	-92.8	126.5	-179	-57.6	167.4	0	0	0	110.4	S567 T575 F576 N579 W583 R832	S567-I570 PolarHBondContact O-N 3.5Å; S567-I570 VanDerWaalsContact O-N 3.12Å; I570-T575 VanDerWaalsContact CG2-OG1 3.24Å; I570-T575 WeakPolarHBondContact CG2-OG1 3.35Å; I570-F576 HydrophobicContact CB-CB 4.32Å; I570-F576 HydrophobicContact CB-CD2 4.42Å; I570-F576 HydrophobicContact CG2-CB 3.89Å; I570-N579 HydrophobicContact CD1-CB 3.66Å; I570-N579 WeakPolarHBondContact CD1-ND2 3.42Å; I570-W583 HydrophobicContact CD1-CH2 3.6Å; I570-W583 HydrophobicContact CD1-CZ2 4.47Å; I570-W583 HydrophobicContact CD1-CZ3 4.13Å; I570-R832 PolarHBondContact O-NH1 3.38Å
571	D	71.7	Confident	85.2	Confident	112 Å²	112	42.3 Å²	42.3	60%	0.599	23%	0.228	S	C	*	.			trans	-84.9	-51.6	-176.3	-70.3	-30.4	0	0	0	113.6	K732	D571-K732 WeakPolarHBondContact OD1-CD 3.44Å; D571-K732 WeakPolarHBondContact OD1-CE 3.39Å; D571-K732 IonicContact OD1-NZ 3.31Å; D571-K732 PolarHBondContact OD1-NZ 3.24Å
572	D	78.9	Confident	85.4	Confident	90 Å²	90	44.4 Å²	44.4	48%	0.481	24%	0.236	S	C	.	.			trans	-77.9	137.8	-175.3	166.7	58.8	0	0	0	111.8	G574 T575 F576	D572-G574 VanDerWaalsContact C-N 3.33Å; D572-G574 PolarHBondContact O-N 2.86Å; D572-G574 PolarHBondContact OD1-N 3.5Å; D572-G574 WeakPolarHBondContact OD2-CA 3.49Å; D572-G574 PolarHBondContact OD2-N 3.2Å; D572-T575 HydrophobicContact CB-CG2 4.41Å; D572-T575 VanDerWaalsContact CB-OG1 3.29Å; D572-T575 WeakPolarHBondContact CB-OG1 3.29Å; D572-T575 PolarHBondContact O-OG1 3.35Å; D572-T575 WeakPolarHBondContact OD2-CG2 3.38Å; D572-T575 PolarHBondContact OD2-N 2.85Å; D572-T575 PolarHBondContact OD2-OG1 3Å; D572-F576 VanDerWaalsContact O-CB 3.27Å; D572-F576 WeakPolarHBondContact O-CB 3.45Å; D572-F576 PolarHBondContact O-N 3.21Å
573	I	76.1	Confident	85.5	Confident	43 Å²	43	42.1 Å²	42.1	22%	0.221	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-38.8	-177	-63.9	166.2	0	0	0	110.2	F576 Q577 S799	I573-F576 PolarHBondContact O-N 2.96Å; I573-Q577 WeakPolarHBondContact O-CG 3.4Å; I573-Q577 PolarHBondContact O-N 3.21Å; I573-S799 WeakPolarHBondContact CD1-OG 3.31Å
574	G	77.2	Confident	85.6	Confident	14 Å²	14	42.3 Å²	42.3	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-48.5	179.3	0	0	0	0	0	112.5	D572 F576 Q577 T578	D572-G574 VanDerWaalsContact C-N 3.33Å; D572-G574 PolarHBondContact O-N 2.86Å; D572-G574 PolarHBondContact OD1-N 3.5Å; D572-G574 WeakPolarHBondContact OD2-CA 3.49Å; D572-G574 PolarHBondContact OD2-N 3.2Å; G574-F576 VanDerWaalsContact C-N 3.34Å; G574-F576 PolarHBondContact O-N 3.38Å; G574-Q577 PolarHBondContact O-N 3.06Å; G574-T578 WeakPolarHBondContact O-CB 3.48Å; G574-T578 PolarHBondContact O-N 2.88Å; G574-T578 PolarHBondContact O-OG1 3.4Å
575	T	83.7	Confident	85.8	Confident	64 Å²	64	48.4 Å²	48.4	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-36.8	174.5	54.2	0	0	0	0	112.3	I570 D572 T578 N579	I570-T575 VanDerWaalsContact CG2-OG1 3.24Å; I570-T575 WeakPolarHBondContact CG2-OG1 3.35Å; D572-T575 HydrophobicContact CB-CG2 4.41Å; D572-T575 VanDerWaalsContact CB-OG1 3.29Å; D572-T575 WeakPolarHBondContact CB-OG1 3.29Å; D572-T575 PolarHBondContact O-OG1 3.35Å; D572-T575 WeakPolarHBondContact OD2-CG2 3.38Å; D572-T575 PolarHBondContact OD2-N 2.85Å; D572-T575 PolarHBondContact OD2-OG1 3Å; T575-T578 PolarHBondContact O-N 2.96Å; T575-N579 VanDerWaalsContact O-CB 3.3Å; T575-N579 WeakPolarHBondContact O-CB 3.43Å; T575-N579 VanDerWaalsContact O-CG 3.3Å; T575-N579 PolarHBondContact O-N 3.39Å; T575-N579 PolarHBondContact O-ND2 3.43Å
576	F	85.6	Confident	86.1	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-52.1	174	172.9	-87.2	0	0	0	110.8	S567 I570 D572 I573 G574 T578 N579 V580 R832	S567-F576 VanDerWaalsContact CB-CE2 3.42Å; I570-F576 HydrophobicContact CB-CB 4.32Å; I570-F576 HydrophobicContact CB-CD2 4.42Å; I570-F576 HydrophobicContact CG2-CB 3.89Å; D572-F576 VanDerWaalsContact O-CB 3.27Å; D572-F576 WeakPolarHBondContact O-CB 3.45Å; D572-F576 PolarHBondContact O-N 3.21Å; I573-F576 PolarHBondContact O-N 2.96Å; G574-F576 VanDerWaalsContact C-N 3.34Å; G574-F576 PolarHBondContact O-N 3.38Å; F576-T578 VanDerWaalsContact C-N 3.33Å; F576-T578 PolarHBondContact O-N 3.07Å; F576-N579 PolarHBondContact O-N 2.89Å; F576-V580 HydrophobicContact CD1-CG2 4.28Å; F576-V580 HydrophobicContact CD2-CG2 4.39Å; F576-V580 HydrophobicContact CE1-CG2 3.95Å; F576-V580 HydrophobicContact CE2-CG2 4.12Å; F576-V580 HydrophobicContact CG-CG2 4.48Å; F576-V580 HydrophobicContact CZ-CG2 3.86Å; F576-V580 WeakPolarHBondContact O-CB 3.45Å; F576-V580 VanDerWaalsContact O-CG2 3.25Å; F576-V580 WeakPolarHBondContact O-CG2 3.5Å; F576-V580 PolarHBondContact O-N 2.79Å; F576-R832 HydrophobicContact CD1-CB 4.1Å; F576-R832 HydrophobicContact CD1-CG 4.19Å; F576-R832 HydrophobicContact CE1-CB 3.67Å; F576-R832 HydrophobicContact CE1-CG 3.72Å; F576-R832 HydrophobicContact CE2-CG 4.1Å; F576-R832 HydrophobicContact CZ-CB 4.12Å; F576-R832 HydrophobicContact CZ-CG 3.66Å
577	Q	85.9	Confident	86.5	Confident	51 Å²	51	48.8 Å²	48.8	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-44.8	179.9	-73.3	177.6	-8.6	0	0	111.2	I573 G574 V580 D581	I573-Q577 WeakPolarHBondContact O-CG 3.4Å; I573-Q577 PolarHBondContact O-N 3.21Å; G574-Q577 PolarHBondContact O-N 3.06Å; Q577-V580 PolarHBondContact O-N 3.25Å; Q577-D581 WeakPolarHBondContact O-CB 3.46Å; Q577-D581 PolarHBondContact O-N 3.34Å
578	T	88.7	Confident	86.9	Confident	79 Å²	79	48.9 Å²	48.9	49%	0.485	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-45.4	-179.5	-57.4	0	0	0	0	111.8	G574 T575 F576 D581 I582	G574-T578 WeakPolarHBondContact O-CB 3.48Å; G574-T578 PolarHBondContact O-N 2.88Å; G574-T578 PolarHBondContact O-OG1 3.4Å; T575-T578 PolarHBondContact O-N 2.96Å; F576-T578 VanDerWaalsContact C-N 3.33Å; F576-T578 PolarHBondContact O-N 3.07Å; T578-D581 PolarHBondContact O-N 3.21Å; T578-I582 HydrophobicContact CG2-CD1 4.04Å; T578-I582 VanDerWaalsContact O-CG1 3.27Å; T578-I582 WeakPolarHBondContact O-CG1 3.39Å; T578-I582 PolarHBondContact O-N 3.05Å
579	N	90.3	Very high	87.3	Confident	56 Å²	56	53.2 Å²	53.2	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-42.9	178.5	-75.6	-22.7	0	0	0	111.8	I570 T575 F576 D581 I582 W583	I570-N579 HydrophobicContact CD1-CB 3.66Å; I570-N579 WeakPolarHBondContact CD1-ND2 3.42Å; T575-N579 VanDerWaalsContact O-CB 3.3Å; T575-N579 WeakPolarHBondContact O-CB 3.43Å; T575-N579 VanDerWaalsContact O-CG 3.3Å; T575-N579 PolarHBondContact O-N 3.39Å; T575-N579 PolarHBondContact O-ND2 3.43Å; F576-N579 PolarHBondContact O-N 2.89Å; N579-D581 VanDerWaalsContact C-N 3.31Å; N579-D581 PolarHBondContact O-N 2.85Å; N579-I582 PolarHBondContact O-N 3.42Å; N579-W583 HydrophobicContact CB-CE3 4.46Å; N579-W583 HydrophobicContact CB-CH2 3.94Å; N579-W583 HydrophobicContact CB-CZ2 3.99Å; N579-W583 HydrophobicContact CB-CZ3 4.15Å; N579-W583 PolarHBondContact O-N 3.25Å
580	V	90.2	Very high	87.7	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-61.2	-41	174.9	168.8	0	0	0	0	111.1	F576 Q577 W583 L584 L836	F576-V580 HydrophobicContact CD1-CG2 4.28Å; F576-V580 HydrophobicContact CD2-CG2 4.39Å; F576-V580 HydrophobicContact CE1-CG2 3.95Å; F576-V580 HydrophobicContact CE2-CG2 4.12Å; F576-V580 HydrophobicContact CG-CG2 4.48Å; F576-V580 HydrophobicContact CZ-CG2 3.86Å; F576-V580 WeakPolarHBondContact O-CB 3.45Å; F576-V580 VanDerWaalsContact O-CG2 3.25Å; F576-V580 WeakPolarHBondContact O-CG2 3.5Å; F576-V580 PolarHBondContact O-N 2.79Å; Q577-V580 PolarHBondContact O-N 3.25Å; V580-W583 HydrophobicContact CG2-CE3 4.1Å; V580-W583 HydrophobicContact CG2-CZ3 4.09Å; V580-W583 PolarHBondContact O-N 2.88Å; V580-L584 HydrophobicContact CG1-CD1 3.74Å; V580-L584 HydrophobicContact CG1-CG 4.23Å; V580-L584 WeakPolarHBondContact O-CB 3.48Å; V580-L584 VanDerWaalsContact O-CG 3.23Å; V580-L584 WeakPolarHBondContact O-CG 3.35Å; V580-L584 PolarHBondContact O-N 3.2Å; V580-L836 HydrophobicContact CG1-CD1 3.67Å; V580-L836 HydrophobicContact CG1-CD2 4.31Å; V580-L836 HydrophobicContact CG1-CG 4.47Å
581	D	91.4	Very high	88.2	Confident	35 Å²	35	58.1 Å²	58.1	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-40.3	177.1	-70.9	-14.9	0	0	0	112.2	Q577 T578 N579 R585 H661 R839	Q577-D581 WeakPolarHBondContact O-CB 3.46Å; Q577-D581 PolarHBondContact O-N 3.34Å; T578-D581 PolarHBondContact O-N 3.21Å; N579-D581 VanDerWaalsContact C-N 3.31Å; N579-D581 PolarHBondContact O-N 2.85Å; D581-R585 VanDerWaalsContact O-CB 3.26Å; D581-R585 WeakPolarHBondContact O-CB 3.35Å; D581-R585 PolarHBondContact O-N 3.08Å; D581-H661 IonicContact OD1-NE2 2.76Å; D581-H661 PolarHBondContact OD1-NE2 3Å; D581-H661 VanDerWaalsContact OD1-NE2 3.1Å; D581-H661 IonicContact OD2-CE1 3.55Å; D581-H661 IonicContact OD2-NE2 3.17Å; D581-H661 PolarHBondContact OD2-NE2 3.43Å; D581-R839 IonicContact OD1-CZ 3.25Å; D581-R839 IonicContact OD1-NH1 2.66Å; D581-R839 PolarHBondContact OD1-NH1 3.36Å; D581-R839 IonicContact OD1-NH2 3.18Å; D581-R839 PolarHBondContact OD1-NH2 3.01Å
582	I	92.4	Very high	89.2	Confident	91 Å²	91	52.8 Å²	52.8	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-48.1	173.7	-67.9	164.5	0	0	0	110.4	T578 N579 L584 R585 D586	T578-I582 HydrophobicContact CG2-CD1 4.04Å; T578-I582 VanDerWaalsContact O-CG1 3.27Å; T578-I582 WeakPolarHBondContact O-CG1 3.39Å; T578-I582 PolarHBondContact O-N 3.05Å; N579-I582 PolarHBondContact O-N 3.42Å; I582-L584 PolarHBondContact O-N 2.83Å; I582-R585 PolarHBondContact O-N 3.39Å; I582-D586 PolarHBondContact O-N 3.26Å
583	W	93.6	Very high	89.9	Confident	67 Å²	67	48.5 Å²	48.5	25%	0.254	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-39.5	-179.6	-62	-31.8	0	0	0	112.7	I563 P566 I570 N579 V580 W587	I563-W583 HydrophobicContact CG2-CE3 4.34Å; P566-W583 HydrophobicContact CB-CH2 3.75Å; P566-W583 HydrophobicContact CB-CZ2 4.06Å; P566-W583 HydrophobicContact CB-CZ3 4.32Å; I570-W583 HydrophobicContact CD1-CH2 3.6Å; I570-W583 HydrophobicContact CD1-CZ2 4.47Å; I570-W583 HydrophobicContact CD1-CZ3 4.13Å; N579-W583 HydrophobicContact CB-CE3 4.46Å; N579-W583 HydrophobicContact CB-CH2 3.94Å; N579-W583 HydrophobicContact CB-CZ2 3.99Å; N579-W583 HydrophobicContact CB-CZ3 4.15Å; N579-W583 PolarHBondContact O-N 3.25Å; V580-W583 HydrophobicContact CG2-CE3 4.1Å; V580-W583 HydrophobicContact CG2-CZ3 4.09Å; V580-W583 PolarHBondContact O-N 2.88Å; W583-W587 VanDerWaalsContact O-CB 3.27Å; W583-W587 WeakPolarHBondContact O-CB 3.34Å; W583-W587 PolarHBondContact O-N 3.45Å
584	L	93.7	Very high	90.7	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-41.2	175.7	-73.9	173.6	0	0	0	111.4	I563 V580 I582 W587 V588 L658 L836 R839 L840	I563-L584 HydrophobicContact CD1-CD2 3.76Å; V580-L584 HydrophobicContact CG1-CD1 3.74Å; V580-L584 HydrophobicContact CG1-CG 4.23Å; V580-L584 WeakPolarHBondContact O-CB 3.48Å; V580-L584 VanDerWaalsContact O-CG 3.23Å; V580-L584 WeakPolarHBondContact O-CG 3.35Å; V580-L584 PolarHBondContact O-N 3.2Å; I582-L584 PolarHBondContact O-N 2.83Å; L584-W587 HydrophobicContact CD2-CE3 4.01Å; L584-W587 HydrophobicContact CD2-CZ3 4.29Å; L584-W587 PolarHBondContact O-N 3.04Å; L584-V588 WeakPolarHBondContact O-CB 3.21Å; L584-V588 WeakPolarHBondContact O-CG2 3.49Å; L584-V588 PolarHBondContact O-N 3.33Å; L584-L658 HydrophobicContact CD1-CD2 4.29Å; L584-L658 HydrophobicContact CD2-CD1 4.3Å; L584-L658 HydrophobicContact CD2-CD2 4.09Å; L584-L836 HydrophobicContact CD1-CD1 3.82Å; L584-L836 HydrophobicContact CD2-CD1 4.42Å; L584-L836 HydrophobicContact CG-CD1 4.49Å; L584-R839 VanDerWaalsContact CD1-CZ 3.47Å; L584-R839 VanDerWaalsContact CD1-NH2 3.34Å; L584-L840 HydrophobicContact CD2-CD2 4.08Å
585	R	93.5	Very high	91.5	Very high	130 Å²	130	52.3 Å²	52.3	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-49.5	176.8	-173.2	177.1	-61.7	150.7	5.7	111.7	D581 I582 W587 V588 E589	D581-R585 VanDerWaalsContact O-CB 3.26Å; D581-R585 WeakPolarHBondContact O-CB 3.35Å; D581-R585 PolarHBondContact O-N 3.08Å; I582-R585 PolarHBondContact O-N 3.39Å; R585-W587 PolarHBondContact O-N 3.43Å; R585-V588 PolarHBondContact O-N 3.16Å; R585-E589 HydrophobicContact CG-CG 4.48Å; R585-E589 WeakPolarHBondContact CG-OE1 3.22Å; R585-E589 WeakPolarHBondContact O-CB 3.23Å; R585-E589 WeakPolarHBondContact O-CG 3.29Å; R585-E589 PolarHBondContact O-N 2.62Å
586	D	93.7	Very high	92	Very high	74 Å²	74	49.3 Å²	49.3	40%	0.396	24%	0.237	S	C	.	.	H	α-helix	trans	-56.3	-42	175	174.6	63.9	0	0	0	111.5	I582 E589 N590	I582-D586 PolarHBondContact O-N 3.26Å; D586-E589 PolarHBondContact O-N 3.06Å; D586-N590 WeakPolarHBondContact O-CB 3.26Å; D586-N590 PolarHBondContact O-N 3.31Å; D586-N590 VanDerWaalsContact O-N 3.11Å; D586-N590 PolarHBondContact O-ND2 3.49Å; D586-N590 PolarHBondContact OD1-ND2 2.96Å
587	W	94.7	Very high	92.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-45.9	179.2	-175.4	44.4	0	0	0	113	L555 Y558 I559 I563 W583 L584 R585 K591 L592 L840 M843	L555-W587 HydrophobicContact CB-CH2 4.3Å; L555-W587 HydrophobicContact CB-CZ2 4Å; L555-W587 HydrophobicContact CD1-CH2 3.96Å; L555-W587 HydrophobicContact CD1-CZ2 3.97Å; L555-W587 HydrophobicContact CD2-CZ2 3.78Å; L555-W587 HydrophobicContact CG-CZ2 4.11Å; Y558-W587 AromaticContact CD1-CD1 3.57Å; Y558-W587 AromaticContact CD1-CD2 3.96Å; Y558-W587 HydrophobicContact CD1-CD2 3.96Å; Y558-W587 AromaticContact CD1-CE2 3.49Å; Y558-W587 VanDerWaalsContact CD1-CE2 3.49Å; Y558-W587 AromaticContact CD1-CG 3.96Å; Y558-W587 HydrophobicContact CD1-CG 3.96Å; Y558-W587 AromaticContact CD1-CZ2 3.97Å; Y558-W587 HydrophobicContact CD1-CZ2 3.97Å; Y558-W587 AromaticContact CD1-NE1 3.28Å; Y558-W587 VanDerWaalsContact CD1-NE1 3.28Å; Y558-W587 HydrophobicContact CE1-CB 3.82Å; Y558-W587 AromaticContact CE1-CD1 3.08Å; Y558-W587 AromaticContact CE1-CD2 3.74Å; Y558-W587 HydrophobicContact CE1-CD2 3.74Å; Y558-W587 AromaticContact CE1-CE2 3.73Å; Y558-W587 AromaticContact CE1-CG 3.3Å; Y558-W587 HydrophobicContact CE1-CG 3.3Å; Y558-W587 AromaticContact CE1-NE1 3.37Å; Y558-W587 AromaticContact CG-NE1 3.78Å; Y558-W587 AromaticContact CZ-CD1 3.33Å; Y558-W587 AromaticContact CZ-CG 3.84Å; Y558-W587 AromaticContact CZ-NE1 3.89Å; I559-W587 HydrophobicContact CD1-CH2 3.93Å; I559-W587 HydrophobicContact CG1-CH2 3.67Å; I559-W587 HydrophobicContact CG1-CZ2 4.11Å; I559-W587 HydrophobicContact CG1-CZ3 4.36Å; I563-W587 HydrophobicContact CD1-CE3 4.23Å; I563-W587 HydrophobicContact CD1-CZ3 4.5Å; W583-W587 VanDerWaalsContact O-CB 3.27Å; W583-W587 WeakPolarHBondContact O-CB 3.34Å; W583-W587 PolarHBondContact O-N 3.45Å; L584-W587 HydrophobicContact CD2-CE3 4.01Å; L584-W587 HydrophobicContact CD2-CZ3 4.29Å; L584-W587 PolarHBondContact O-N 3.04Å; R585-W587 PolarHBondContact O-N 3.43Å; W587-K591 PolarHBondContact O-N 2.93Å; W587-L592 HydrophobicContact CD2-CB 3.86Å; W587-L592 HydrophobicContact CD2-CD1 4.39Å; W587-L592 HydrophobicContact CD2-CD2 4.28Å; W587-L592 HydrophobicContact CD2-CG 4.4Å; W587-L592 HydrophobicContact CE3-CB 4.44Å; W587-L592 HydrophobicContact CE3-CD2 4.02Å; W587-L592 HydrophobicContact CG-CB 4.05Å; W587-L592 HydrophobicContact CH2-CD1 3.79Å; W587-L592 HydrophobicContact CZ2-CB 4.45Å; W587-L592 HydrophobicContact CZ2-CD1 3.64Å; W587-L592 HydrophobicContact CZ2-CG 4.49Å; W587-L592 HydrophobicContact CZ3-CD1 4.22Å; W587-L592 HydrophobicContact CZ3-CD2 4.12Å; W587-L592 WeakPolarHBondContact O-CB 3.4Å; W587-L592 PolarHBondContact O-N 3.35Å; W587-L840 HydrophobicContact CH2-CD2 4.38Å; W587-L840 HydrophobicContact CZ3-CD2 3.79Å; W587-M843 HydrophobicContact CH2-CE 3.84Å; W587-M843 HydrophobicContact CZ3-CE 3.75Å
588	V	94.6	Very high	92.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	25%	0.25	C	C	.	.	H	α-helix	trans	-64.3	-39.2	177.6	172.8	0	0	0	0	111.7	L584 R585 L592 P593 R651 Q654 L658	L584-V588 WeakPolarHBondContact O-CB 3.21Å; L584-V588 WeakPolarHBondContact O-CG2 3.49Å; L584-V588 PolarHBondContact O-N 3.33Å; R585-V588 PolarHBondContact O-N 3.16Å; V588-L592 HydrophobicContact CG2-CD2 3.85Å; V588-P593 WeakPolarHBondContact O-CD 3.5Å; V588-P593 WeakPolarHBondContact O-CG 3.35Å; V588-R651 HydrophobicContact CG1-CG 3.91Å; V588-Q654 HydrophobicContact CG1-CB 4.13Å; V588-Q654 HydrophobicContact CG2-CB 4.41Å; V588-L658 HydrophobicContact CG2-CD1 3.16Å; V588-L658 HydrophobicContact CG2-CG 4.49Å
589	E	92.5	Very high	92.7	Very high	98 Å²	98	48.3 Å²	48.3	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-40.6	-178.9	-74.2	176.9	-178.4	0	0	111.5	R585 D586 R651	R585-E589 HydrophobicContact CG-CG 4.48Å; R585-E589 WeakPolarHBondContact CG-OE1 3.22Å; R585-E589 WeakPolarHBondContact O-CB 3.23Å; R585-E589 WeakPolarHBondContact O-CG 3.29Å; R585-E589 PolarHBondContact O-N 2.62Å; D586-E589 PolarHBondContact O-N 3.06Å; E589-R651 PolarHBondContact O-NE 3.35Å; E589-R651 PolarHBondContact O-NH2 3Å
590	N	90.9	Very high	92.8	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	21%	0.214	S	C	.	.	H	α-helix	trans	-106.9	-48.9	-164.2	-67.3	-44.9	0	0	0	115.6	D586	D586-N590 WeakPolarHBondContact O-CB 3.26Å; D586-N590 PolarHBondContact O-N 3.31Å; D586-N590 VanDerWaalsContact O-N 3.11Å; D586-N590 PolarHBondContact O-ND2 3.49Å; D586-N590 PolarHBondContact OD1-ND2 2.96Å
591	K	91.9	Very high	92.7	Very high	113 Å²	113	47.5 Å²	47.5	49%	0.491	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-40.3	-164.5	-67.2	179.5	-178.8	173.5	0	114	Y558 W587 K594 A595	Y558-K591 HydrophobicContact CD2-CD 4.49Å; Y558-K591 HydrophobicContact CE2-CD 3.8Å; W587-K591 PolarHBondContact O-N 2.93Å; K591-K594 PolarHBondContact O-N 3.44Å; K591-A595 WeakPolarHBondContact O-CB 3.46Å; K591-A595 PolarHBondContact O-N 2.88Å
592	L	94.3	Very high	92.7	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-46.6	-172.2	173.7	67.6	0	0	0	113.1	L555 W587 V588 K594 A595 S596 Q654 L658 M843	L555-L592 HydrophobicContact CD1-CD1 3.43Å; L555-L592 VanDerWaalsContact CD1-CD1 3.43Å; L555-L592 HydrophobicContact CD2-CD1 3.86Å; L555-L592 HydrophobicContact CG-CD1 4.3Å; W587-L592 HydrophobicContact CD2-CB 3.86Å; W587-L592 HydrophobicContact CD2-CD1 4.39Å; W587-L592 HydrophobicContact CD2-CD2 4.28Å; W587-L592 HydrophobicContact CD2-CG 4.4Å; W587-L592 HydrophobicContact CE3-CB 4.44Å; W587-L592 HydrophobicContact CE3-CD2 4.02Å; W587-L592 HydrophobicContact CG-CB 4.05Å; W587-L592 HydrophobicContact CH2-CD1 3.79Å; W587-L592 HydrophobicContact CZ2-CB 4.45Å; W587-L592 HydrophobicContact CZ2-CD1 3.64Å; W587-L592 HydrophobicContact CZ2-CG 4.49Å; W587-L592 HydrophobicContact CZ3-CD1 4.22Å; W587-L592 HydrophobicContact CZ3-CD2 4.12Å; W587-L592 WeakPolarHBondContact O-CB 3.4Å; W587-L592 PolarHBondContact O-N 3.35Å; V588-L592 HydrophobicContact CG2-CD2 3.85Å; L592-K594 PolarHBondContact O-N 2.86Å; L592-A595 PolarHBondContact O-N 2.8Å; L592-S596 WeakPolarHBondContact O-CB 3.31Å; L592-S596 PolarHBondContact O-N 2.74Å; L592-S596 PolarHBondContact O-OG 2.97Å; L592-Q654 HydrophobicContact CD2-CB 4.01Å; L592-Q654 HydrophobicContact CD2-CG 4.04Å; L592-L658 HydrophobicContact CD2-CD1 4.29Å; L592-M843 HydrophobicContact CD1-CE 4.05Å; L592-M843 HydrophobicContact CD1-SD 4.12Å; L592-M843 HydrophobicContact CD2-CE 4.01Å; L592-M843 HydrophobicContact CD2-CG 4.15Å; L592-M843 HydrophobicContact CD2-SD 3.78Å; L592-M843 HydrophobicContact CG-SD 4.46Å
593	P	93.9	Very high	92.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-43.5	179.9	-25.7	34.7	0	0	0	112.7	V588 S596 I597 E647 L650 R651	V588-P593 WeakPolarHBondContact O-CD 3.5Å; V588-P593 WeakPolarHBondContact O-CG 3.35Å; P593-S596 WeakPolarHBondContact O-CB 3.34Å; P593-S596 PolarHBondContact O-N 2.77Å; P593-I597 WeakPolarHBondContact O-CG1 3.44Å; P593-I597 PolarHBondContact O-N 2.76Å; P593-E647 HydrophobicContact CB-CG 3.59Å; P593-L650 HydrophobicContact CB-CB 4.41Å; P593-R651 HydrophobicContact CG-CB 4.01Å; P593-R651 HydrophobicContact CG-CG 4.39Å
594	K	92.4	Very high	92.3	Very high	119 Å²	119	42.9 Å²	42.9	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-65.5	-46.2	179.5	-66.3	-178.8	-178.6	176.1	0	111.8	K591 L592 S596 I597 E598 E647	K591-K594 PolarHBondContact O-N 3.44Å; L592-K594 PolarHBondContact O-N 2.86Å; K594-S596 VanDerWaalsContact C-N 3.25Å; K594-S596 PolarHBondContact O-N 3.34Å; K594-I597 PolarHBondContact O-N 3.04Å; K594-E598 PolarHBondContact O-N 2.79Å; K594-E647 VanDerWaalsContact CE-CD 3.45Å; K594-E647 WeakPolarHBondContact CE-OE1 3.34Å; K594-E647 WeakPolarHBondContact CE-OE2 3.25Å; K594-E647 HydrophobicContact CG-CG 4.19Å
595	A	93.6	Very high	92	Very high	18 Å²	18	43.1 Å²	43.1	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-37.5	175.3	0	0	0	0	0	111.6	L555 K591 L592 E598 T599	L555-A595 HydrophobicContact CD2-CB 3.92Å; K591-A595 WeakPolarHBondContact O-CB 3.46Å; K591-A595 PolarHBondContact O-N 2.88Å; L592-A595 PolarHBondContact O-N 2.8Å; A595-E598 PolarHBondContact O-N 3.03Å; A595-T599 WeakPolarHBondContact O-CG2 3.34Å; A595-T599 PolarHBondContact O-N 2.71Å; A595-T599 PolarHBondContact O-OG1 3.16Å
596	S	94	Very high	91.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-44	177.6	-56.3	0	0	0	0	111.8	L592 P593 K594 T599 G600 Q654 L851	L592-S596 WeakPolarHBondContact O-CB 3.31Å; L592-S596 PolarHBondContact O-N 2.74Å; L592-S596 PolarHBondContact O-OG 2.97Å; P593-S596 WeakPolarHBondContact O-CB 3.34Å; P593-S596 PolarHBondContact O-N 2.77Å; K594-S596 VanDerWaalsContact C-N 3.25Å; K594-S596 PolarHBondContact O-N 3.34Å; S596-T599 WeakPolarHBondContact CA-OG1 3.43Å; S596-T599 PolarHBondContact O-N 2.81Å; S596-T599 PolarHBondContact O-OG1 3.49Å; S596-G600 PolarHBondContact O-N 3.44Å; S596-Q654 PolarHBondContact OG-NE2 3.38Å; S596-L851 WeakPolarHBondContact O-CD1 3.36Å
597	I	92.6	Very high	91.4	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.128	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-44.3	175.2	-67.9	168.2	0	0	0	110.7	P593 K594 T599 G600 L601 W642 A646 E647 L650	P593-I597 WeakPolarHBondContact O-CG1 3.44Å; P593-I597 PolarHBondContact O-N 2.76Å; K594-I597 PolarHBondContact O-N 3.04Å; I597-T599 VanDerWaalsContact C-N 3.3Å; I597-T599 PolarHBondContact O-N 2.95Å; I597-G600 PolarHBondContact O-N 3.11Å; I597-G600 VanDerWaalsContact O-N 3.1Å; I597-L601 PolarHBondContact O-N 2.75Å; I597-W642 HydrophobicContact CG2-CB 3.68Å; I597-W642 HydrophobicContact CG2-CD2 3.87Å; I597-W642 HydrophobicContact CG2-CE3 4.4Å; I597-W642 HydrophobicContact CG2-CG 3.53Å; I597-A646 HydrophobicContact CD1-CB 4.01Å; I597-A646 HydrophobicContact CG1-CB 4.46Å; I597-E647 HydrophobicContact CD1-CB 3.88Å; I597-E647 HydrophobicContact CD1-CG 4.4Å; I597-L650 HydrophobicContact CD1-CD1 4.23Å; I597-L650 HydrophobicContact CG1-CD1 3.62Å
598	E	91.1	Very high	90.9	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-57.5	-44.4	175.8	-166.4	-167.8	161.5	0	0	110.9	K554 K594 A595 G600 L601 Q602	K554-E598 VanDerWaalsContact CE-OE2 3.26Å; K554-E598 WeakPolarHBondContact CE-OE2 3.4Å; K554-E598 IonicContact NZ-OE1 3.07Å; K554-E598 PolarHBondContact NZ-OE1 3.04Å; K554-E598 IonicContact NZ-OE2 3.23Å; K554-E598 PolarHBondContact NZ-OE2 2.97Å; K594-E598 PolarHBondContact O-N 2.79Å; A595-E598 PolarHBondContact O-N 3.03Å; E598-G600 PolarHBondContact O-N 2.95Å; E598-L601 PolarHBondContact O-N 3.36Å; E598-Q602 VanDerWaalsContact O-CG 3.31Å; E598-Q602 WeakPolarHBondContact O-CG 3.49Å; E598-Q602 PolarHBondContact O-N 2.72Å
599	T	92.1	Very high	90.4	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-35.5	175.5	57.7	0	0	0	0	113.1	L551 K554 A595 S596 I597 L601 Q602 T603	L551-T599 HydrophobicContact CD1-CG2 4.39Å; L551-T599 WeakPolarHBondContact CD1-OG1 3.17Å; K554-T599 HydrophobicContact CB-CG2 3.51Å; K554-T599 HydrophobicContact CD-CG2 4.48Å; K554-T599 HydrophobicContact CG-CG2 3.72Å; A595-T599 WeakPolarHBondContact O-CG2 3.34Å; A595-T599 PolarHBondContact O-N 2.71Å; A595-T599 PolarHBondContact O-OG1 3.16Å; S596-T599 WeakPolarHBondContact CA-OG1 3.43Å; S596-T599 PolarHBondContact O-N 2.81Å; S596-T599 PolarHBondContact O-OG1 3.49Å; I597-T599 VanDerWaalsContact C-N 3.3Å; I597-T599 PolarHBondContact O-N 2.95Å; T599-L601 VanDerWaalsContact C-N 3.33Å; T599-Q602 PolarHBondContact O-N 2.93Å; T599-T603 WeakPolarHBondContact O-CB 3.5Å; T599-T603 WeakPolarHBondContact O-CG2 3.48Å; T599-T603 PolarHBondContact O-N 3.06Å; T599-T603 PolarHBondContact O-OG1 2.99Å
600	G	91	Very high	90.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-41.4	173	0	0	0	0	0	111.7	S596 I597 E598 T603 L604	S596-G600 PolarHBondContact O-N 3.44Å; I597-G600 PolarHBondContact O-N 3.11Å; I597-G600 VanDerWaalsContact O-N 3.1Å; E598-G600 PolarHBondContact O-N 2.95Å; G600-T603 WeakPolarHBondContact CA-OG1 3.41Å; G600-T603 PolarHBondContact O-OG1 3.07Å; G600-L604 WeakPolarHBondContact O-CB 3.44Å; G600-L604 PolarHBondContact O-N 3Å; G600-L604 VanDerWaalsContact O-N 3.07Å
601	L	89.6	Confident	89.6	Confident	40 Å²	40	37.7 Å²	37.7	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-46.9	176.7	-174.2	145	0	0	0	111.6	I597 E598 T599 T603 L604 Y605 W642	I597-L601 PolarHBondContact O-N 2.75Å; E598-L601 PolarHBondContact O-N 3.36Å; T599-L601 VanDerWaalsContact C-N 3.33Å; L601-T603 PolarHBondContact O-N 3.45Å; L601-L604 WeakPolarHBondContact O-CB 3.33Å; L601-L604 PolarHBondContact O-N 2.82Å; L601-Y605 HydrophobicContact CD1-CE2 4.31Å; L601-Y605 HydrophobicContact CD2-CD2 3.6Å; L601-Y605 HydrophobicContact CD2-CE2 3.6Å; L601-Y605 HydrophobicContact CG-CD2 3.94Å; L601-Y605 HydrophobicContact CG-CE2 3.69Å; L601-Y605 WeakPolarHBondContact O-CD2 3.31Å; L601-Y605 PolarHBondContact O-N 2.97Å; L601-Y605 VanDerWaalsContact O-N 3.08Å; L601-W642 HydrophobicContact CB-CE3 4.25Å; L601-W642 HydrophobicContact CB-CZ3 4.23Å
602	Q	89.7	Confident	89	Confident	87 Å²	87	34.5 Å²	34.5	41%	0.407	18%	0.175	S	C	.	.	H	α-helix	trans	-62.2	-42	177.8	-67.2	-57.3	-30.4	0	0	112.1	E598 T599 L604 Y605 N606	E598-Q602 VanDerWaalsContact O-CG 3.31Å; E598-Q602 WeakPolarHBondContact O-CG 3.49Å; E598-Q602 PolarHBondContact O-N 2.72Å; T599-Q602 PolarHBondContact O-N 2.93Å; Q602-L604 VanDerWaalsContact C-N 3.33Å; Q602-L604 PolarHBondContact O-N 3.23Å; Q602-Y605 PolarHBondContact O-N 3.29Å; Q602-N606 VanDerWaalsContact O-CB 3.29Å; Q602-N606 WeakPolarHBondContact O-CB 3.33Å; Q602-N606 PolarHBondContact O-N 3.42Å; Q602-N606 PolarHBondContact O-ND2 3.09Å
603	T	90.4	Very high	88.4	Confident	2 Å²	2	41 Å²	41	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-40.1	177.4	52.7	0	0	0	0	111.4	I547 E550 T599 G600 L601 N606 Q607	I547-T603 HydrophobicContact CG1-CG2 4.17Å; E550-T603 HydrophobicContact CB-CG2 3.57Å; E550-T603 HydrophobicContact CG-CG2 3.5Å; T599-T603 WeakPolarHBondContact O-CB 3.5Å; T599-T603 WeakPolarHBondContact O-CG2 3.48Å; T599-T603 PolarHBondContact O-N 3.06Å; T599-T603 PolarHBondContact O-OG1 2.99Å; G600-T603 WeakPolarHBondContact CA-OG1 3.41Å; G600-T603 PolarHBondContact O-OG1 3.07Å; L601-T603 PolarHBondContact O-N 3.45Å; T603-N606 PolarHBondContact O-N 2.97Å; T603-Q607 WeakPolarHBondContact O-CG 3.46Å; T603-Q607 PolarHBondContact O-N 2.81Å
604	L	88.2	Confident	87.8	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-50.1	175.1	179.5	143	0	0	0	112	G600 L601 Q602 Q607 L608 I855 E859 L863	G600-L604 WeakPolarHBondContact O-CB 3.44Å; G600-L604 PolarHBondContact O-N 3Å; G600-L604 VanDerWaalsContact O-N 3.07Å; L601-L604 WeakPolarHBondContact O-CB 3.33Å; L601-L604 PolarHBondContact O-N 2.82Å; Q602-L604 VanDerWaalsContact C-N 3.33Å; Q602-L604 PolarHBondContact O-N 3.23Å; L604-Q607 PolarHBondContact O-N 3.46Å; L604-L608 PolarHBondContact O-N 2.99Å; L604-I855 HydrophobicContact CD1-CG1 4.44Å; L604-I855 HydrophobicContact CD1-CG2 4.07Å; L604-E859 HydrophobicContact CD1-CB 4.16Å; L604-L863 HydrophobicContact CD2-CD2 4.47Å
605	Y	87.9	Confident	87.1	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-36.8	178.5	-74.9	-68.7	0	0	0	112.8	L601 Q602 Q607 L608 D609 H633 I636 R637 H640	L601-Y605 HydrophobicContact CD1-CE2 4.31Å; L601-Y605 HydrophobicContact CD2-CD2 3.6Å; L601-Y605 HydrophobicContact CD2-CE2 3.6Å; L601-Y605 HydrophobicContact CG-CD2 3.94Å; L601-Y605 HydrophobicContact CG-CE2 3.69Å; L601-Y605 WeakPolarHBondContact O-CD2 3.31Å; L601-Y605 PolarHBondContact O-N 2.97Å; L601-Y605 VanDerWaalsContact O-N 3.08Å; Q602-Y605 PolarHBondContact O-N 3.29Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 3.09Å; Y605-L608 HydrophobicContact CD1-CD2 4.15Å; Y605-L608 HydrophobicContact CE1-CD2 4.47Å; Y605-L608 PolarHBondContact O-N 3.41Å; Y605-D609 WeakPolarHBondContact O-CB 3.35Å; Y605-D609 VanDerWaalsContact O-CG 3.28Å; Y605-D609 PolarHBondContact O-N 3.07Å; Y605-H633 AromaticContact CD1-NE2 3.87Å; Y605-I636 HydrophobicContact CE1-CG2 4.38Å; Y605-R637 HydrophobicContact CD1-CG 4.18Å; Y605-R637 HydrophobicContact CE1-CG 3.68Å; Y605-H640 AromaticContact CE2-ND1 3.85Å; Y605-H640 AromaticContact CZ-ND1 3.93Å; Y605-H640 WeakPolarHBondContact OH-CB 3.28Å; Y605-H640 PolarHBondContact OH-ND1 3.28Å
606	N	89.1	Confident	86.3	Confident	66 Å²	66	44.4 Å²	44.4	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-38.8	175.2	-72.6	-14.7	0	0	0	111.7	Q602 T603 S610	Q602-N606 VanDerWaalsContact O-CB 3.29Å; Q602-N606 WeakPolarHBondContact O-CB 3.33Å; Q602-N606 PolarHBondContact O-N 3.42Å; Q602-N606 PolarHBondContact O-ND2 3.09Å; T603-N606 PolarHBondContact O-N 2.97Å; N606-S610 WeakPolarHBondContact O-CB 3.47Å; N606-S610 PolarHBondContact O-N 3.43Å
607	Q	85.7	Confident	85.7	Confident	33 Å²	33	51.2 Å²	51.2	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-41.3	174.2	-68.8	-48.4	-66.1	0	0	111.9	I538 W543 N546 T603 L604 Y605 S610 K611	I538-Q607 HydrophobicContact CD1-CB 4.1Å; W543-Q607 HydrophobicContact CE3-CG 4.17Å; W543-Q607 HydrophobicContact CH2-CB 3.61Å; W543-Q607 HydrophobicContact CH2-CG 3.54Å; W543-Q607 HydrophobicContact CZ2-CB 4.12Å; W543-Q607 HydrophobicContact CZ2-CG 4.1Å; W543-Q607 HydrophobicContact CZ3-CB 4.14Å; W543-Q607 HydrophobicContact CZ3-CG 3.59Å; N546-Q607 PolarHBondContact ND2-NE2 3.33Å; T603-Q607 WeakPolarHBondContact O-CG 3.46Å; T603-Q607 PolarHBondContact O-N 2.81Å; L604-Q607 PolarHBondContact O-N 3.46Å; Y605-Q607 VanDerWaalsContact C-N 3.31Å; Y605-Q607 PolarHBondContact O-N 3.09Å; Q607-S610 PolarHBondContact O-N 2.86Å; Q607-K611 VanDerWaalsContact O-CB 3.29Å; Q607-K611 WeakPolarHBondContact O-CB 3.3Å; Q607-K611 PolarHBondContact O-N 3.01Å
608	L	82.7	Confident	85	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-52.6	173.5	176.9	66.9	0	0	0	110.9	L532 L535 L604 Y605 S610 K611 L612	L532-L608 HydrophobicContact CD2-CD1 4.05Å; L535-L608 HydrophobicContact CD1-CB 4.05Å; L535-L608 HydrophobicContact CD1-CD1 3.48Å; L535-L608 VanDerWaalsContact CD1-CD1 3.48Å; L535-L608 HydrophobicContact CD1-CG 4.31Å; L535-L608 HydrophobicContact CG-CD1 4.3Å; L604-L608 PolarHBondContact O-N 2.99Å; Y605-L608 HydrophobicContact CD1-CD2 4.15Å; Y605-L608 HydrophobicContact CE1-CD2 4.47Å; Y605-L608 PolarHBondContact O-N 3.41Å; L608-S610 VanDerWaalsContact C-N 3.35Å; L608-S610 PolarHBondContact O-N 3.21Å; L608-K611 PolarHBondContact O-N 3.44Å; L608-K611 VanDerWaalsContact O-N 3.14Å; L608-L612 HydrophobicContact CD1-CD1 4.03Å; L608-L612 HydrophobicContact CD1-CG 4.18Å; L608-L612 HydrophobicContact CG-CD1 3.91Å; L608-L612 HydrophobicContact CG-CG 4.43Å; L608-L612 WeakPolarHBondContact O-CB 3.35Å; L608-L612 VanDerWaalsContact O-CG 3.29Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 2.68Å
609	D	84.9	Confident	84.1	Confident	42 Å²	42	55.4 Å²	55.4	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-41.8	-179.9	-72.2	-12.7	0	0	0	111.6	Y605 K611 L612 K613 H633 R637	Y605-D609 WeakPolarHBondContact O-CB 3.35Å; Y605-D609 VanDerWaalsContact O-CG 3.28Å; Y605-D609 PolarHBondContact O-N 3.07Å; D609-K611 VanDerWaalsContact C-N 3.33Å; D609-K611 PolarHBondContact O-N 3.39Å; D609-L612 PolarHBondContact O-N 2.71Å; D609-K613 VanDerWaalsContact O-CG 3.31Å; D609-K613 WeakPolarHBondContact O-CG 3.4Å; D609-K613 PolarHBondContact O-N 2.82Å; D609-H633 IonicContact OD1-CE1 3.54Å; D609-H633 PolarHBondContact OD1-CE1 3.27Å; D609-H633 IonicContact OD1-NE2 2.77Å; D609-H633 PolarHBondContact OD1-NE2 2.96Å; D609-R637 IonicContact OD1-NH2 3.07Å; D609-R637 PolarHBondContact OD1-NH2 2.9Å; D609-R637 IonicContact OD2-NH2 3.37Å; D609-R637 PolarHBondContact OD2-NH2 2.98Å
610	S	86	Confident	83.2	Confident	63 Å²	63	58.9 Å²	58.9	44%	0.441	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-42.7	175.2	-174.3	0	0	0	0	111.3	N606 Q607 L608 K613 T614	N606-S610 WeakPolarHBondContact O-CB 3.47Å; N606-S610 PolarHBondContact O-N 3.43Å; Q607-S610 PolarHBondContact O-N 2.86Å; L608-S610 VanDerWaalsContact C-N 3.35Å; L608-S610 PolarHBondContact O-N 3.21Å; S610-K613 PolarHBondContact O-N 2.82Å; S610-T614 WeakPolarHBondContact O-CG2 3.2Å; S610-T614 PolarHBondContact O-N 2.89Å; S610-T614 VanDerWaalsContact O-N 3.09Å
611	K	81.2	Confident	82.7	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.287	34%	0.343	S	S	.	.	H	α-helix	trans	-68.4	-44.3	-179.7	-166.7	64.3	167.7	170.4	0	110.9	S534 L535 Q607 L608 D609 K613 T614 M615	S534-K611 WeakPolarHBondContact OG-CE 3.34Å; L535-K611 HydrophobicContact CD2-CB 3.7Å; L535-K611 HydrophobicContact CD2-CG 3.93Å; Q607-K611 VanDerWaalsContact O-CB 3.29Å; Q607-K611 WeakPolarHBondContact O-CB 3.3Å; Q607-K611 PolarHBondContact O-N 3.01Å; L608-K611 PolarHBondContact O-N 3.44Å; L608-K611 VanDerWaalsContact O-N 3.14Å; D609-K611 VanDerWaalsContact C-N 3.33Å; D609-K611 PolarHBondContact O-N 3.39Å; K611-K613 VanDerWaalsContact C-N 3.3Å; K611-K613 PolarHBondContact O-N 2.83Å; K611-T614 WeakPolarHBondContact CA-OG1 3.29Å; K611-T614 PolarHBondContact O-N 2.63Å; K611-T614 VanDerWaalsContact O-N 3.14Å; K611-T614 PolarHBondContact O-OG1 3.35Å; K611-M615 HydrophobicContact CD-CE 4.21Å; K611-M615 HydrophobicContact CG-CE 4.35Å; K611-M615 WeakPolarHBondContact O-CG 3.36Å; K611-M615 PolarHBondContact O-N 2.96Å
612	L	78.5	Confident	82.4	Confident	46 Å²	46	61 Å²	61	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-43.4	175.5	-72.4	172	0	0	0	111.4	D531 L608 D609 M615 Q616	D531-L612 HydrophobicContact CB-CD2 4.42Å; L608-L612 HydrophobicContact CD1-CD1 4.03Å; L608-L612 HydrophobicContact CD1-CG 4.18Å; L608-L612 HydrophobicContact CG-CD1 3.91Å; L608-L612 HydrophobicContact CG-CG 4.43Å; L608-L612 WeakPolarHBondContact O-CB 3.35Å; L608-L612 VanDerWaalsContact O-CG 3.29Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 2.68Å; D609-L612 PolarHBondContact O-N 2.71Å; L612-M615 WeakPolarHBondContact O-CB 3.46Å; L612-M615 PolarHBondContact O-N 3.2Å; L612-M615 VanDerWaalsContact O-N 3.17Å; L612-Q616 WeakPolarHBondContact O-CG 3.38Å; L612-Q616 PolarHBondContact O-N 3.05Å
613	K	81.4	Confident	82.1	Confident	138 Å²	138	60.8 Å²	60.8	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-61	-45.3	174.3	-74.2	174	-176.1	177.4	0	112.6	D609 S610 K611 M615 Q616	D609-K613 VanDerWaalsContact O-CG 3.31Å; D609-K613 WeakPolarHBondContact O-CG 3.4Å; D609-K613 PolarHBondContact O-N 2.82Å; S610-K613 PolarHBondContact O-N 2.82Å; K611-K613 VanDerWaalsContact C-N 3.3Å; K611-K613 PolarHBondContact O-N 2.83Å; K613-M615 PolarHBondContact O-N 3.34Å; K613-Q616 WeakPolarHBondContact O-CB 3.36Å; K613-Q616 PolarHBondContact O-N 3.23Å; K613-Q616 VanDerWaalsContact O-N 3.07Å
614	T	81.6	Confident	81.8	Confident	68 Å²	68	61.7 Å²	61.7	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-24.6	177.1	58.3	0	0	0	0	113.4	S610 K611	S610-T614 WeakPolarHBondContact O-CG2 3.2Å; S610-T614 PolarHBondContact O-N 2.89Å; S610-T614 VanDerWaalsContact O-N 3.09Å; K611-T614 WeakPolarHBondContact CA-OG1 3.29Å; K611-T614 PolarHBondContact O-N 2.63Å; K611-T614 VanDerWaalsContact O-N 3.14Å; K611-T614 PolarHBondContact O-OG1 3.35Å
615	M	78.3	Confident	81.8	Confident	43 Å²	43	61.7 Å²	61.7	21%	0.212	35%	0.351	C	S	.	.	H	α-helix	trans	-77.2	-20.7	176.2	-66.9	-62.1	172.1	0	0	112.9	K611 L612 K613 D617 V618 Y621	K611-M615 HydrophobicContact CD-CE 4.21Å; K611-M615 HydrophobicContact CG-CE 4.35Å; K611-M615 WeakPolarHBondContact O-CG 3.36Å; K611-M615 PolarHBondContact O-N 2.96Å; L612-M615 WeakPolarHBondContact O-CB 3.46Å; L612-M615 PolarHBondContact O-N 3.2Å; L612-M615 VanDerWaalsContact O-N 3.17Å; K613-M615 PolarHBondContact O-N 3.34Å; M615-D617 PolarHBondContact O-N 3.47Å; M615-V618 WeakPolarHBondContact O-CB 3.3Å; M615-V618 PolarHBondContact O-N 3.22Å; M615-V618 HydrophobicContact SD-CG2 4.05Å; M615-Y621 WeakPolarHBondContact O-CD2 3.37Å
616	Q	77.4	Confident	81.8	Confident	97 Å²	97	63.8 Å²	63.8	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-25.9	175.8	-55.3	-169	-50.5	0	0	112.1	L612 K613 V618 Y621	L612-Q616 WeakPolarHBondContact O-CG 3.38Å; L612-Q616 PolarHBondContact O-N 3.05Å; K613-Q616 WeakPolarHBondContact O-CB 3.36Å; K613-Q616 PolarHBondContact O-N 3.23Å; K613-Q616 VanDerWaalsContact O-N 3.07Å; Q616-V618 VanDerWaalsContact C-N 3.35Å; Q616-Y621 HydrophobicContact CB-CE1 4.45Å; Q616-Y621 HydrophobicContact CB-CE2 4.25Å; Q616-Y621 HydrophobicContact CG-CE1 4.41Å; Q616-Y621 HydrophobicContact CG-CE2 3.84Å; Q616-Y621 PolarHBondContact NE2-OH 2.89Å
617	D	80	Confident	81.8	Confident	143 Å²	143	63.3 Å²	63.3	77%	0.765	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.9	179.1	-61.5	-32.8	0	0	0	113	M615	M615-D617 PolarHBondContact O-N 3.47Å
618	V	78.2	Confident	82	Confident	69 Å²	69	61.7 Å²	61.7	42%	0.418	36%	0.355	S	S	.	.	S	Bend	trans	-77.5	133	-176.8	178.2	0	0	0	0	110.4	M615 Q616 G620 Y621	M615-V618 WeakPolarHBondContact O-CB 3.3Å; M615-V618 PolarHBondContact O-N 3.22Å; M615-V618 HydrophobicContact SD-CG2 4.05Å; Q616-V618 VanDerWaalsContact C-N 3.35Å; V618-G620 PolarHBondContact O-N 2.79Å; V618-Y621 WeakPolarHBondContact O-CB 2.96Å; V618-Y621 PolarHBondContact O-N 3.3Å; V618-Y621 VanDerWaalsContact O-N 3.12Å
619	P	72.5	Confident	82.2	Confident	129 Å²	129	62.6 Å²	62.6	84%	0.838	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	122.5	174.9	24.6	-33.7	0	0	0	110.6
620	G	73.8	Confident	82.4	Confident	79 Å²	79	65 Å²	65	81%	0.814	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	0.1	-174.6	0	0	0	0	0	114.6	V618	V618-G620 PolarHBondContact O-N 2.79Å
621	Y	79.6	Confident	82.5	Confident	63 Å²	63	62.6 Å²	62.6	25%	0.247	35%	0.353	C	S	.	.			trans	-57.3	134.7	168.7	-176.2	-99.6	0	0	0	111.6	M615 Q616 V618 P623 D626	M615-Y621 WeakPolarHBondContact O-CD2 3.37Å; Q616-Y621 HydrophobicContact CB-CE1 4.45Å; Q616-Y621 HydrophobicContact CB-CE2 4.25Å; Q616-Y621 HydrophobicContact CG-CE1 4.41Å; Q616-Y621 HydrophobicContact CG-CE2 3.84Å; Q616-Y621 PolarHBondContact NE2-OH 2.89Å; V618-Y621 WeakPolarHBondContact O-CB 2.96Å; V618-Y621 PolarHBondContact O-N 3.3Å; V618-Y621 VanDerWaalsContact O-N 3.12Å; Y621-P623 HydrophobicContact CE1-CB 4.28Å; Y621-D626 PolarHBondContact OH-OD1 2.95Å; Y621-D626 PolarHBondContact OH-OD2 3.37Å
622	D	82.4	Confident	82.9	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.118	34%	0.34	C	S	.	.			trans	-116.5	107.9	-179.8	-167.2	-14.8	0	0	0	110.4	V624 F625 R889	D622-V624 PolarHBondContact O-N 3.35Å; D622-V624 VanDerWaalsContact O-N 3.1Å; D622-V624 VanDerWaalsContact OD1-CB 3.32Å; D622-V624 WeakPolarHBondContact OD1-CB 3.45Å; D622-V624 WeakPolarHBondContact OD1-CG2 3.49Å; D622-V624 PolarHBondContact OD1-N 2.72Å; D622-V624 VanDerWaalsContact OD1-N 3.15Å; D622-F625 HydrophobicContact CB-CD2 3.8Å; D622-F625 HydrophobicContact CB-CE2 3.68Å; D622-F625 HydrophobicContact CB-CZ 4.34Å; D622-F625 PolarHBondContact O-N 2.91Å; D622-R889 VanDerWaalsContact CG-NH1 3.33Å; D622-R889 IonicContact OD1-CZ 3.8Å; D622-R889 IonicContact OD1-NH1 3.2Å; D622-R889 PolarHBondContact OD1-NH1 3.28Å; D622-R889 IonicContact OD1-NH2 3.57Å; D622-R889 PolarHBondContact OD1-NH2 3.48Å; D622-R889 IonicContact OD2-CZ 2.92Å; D622-R889 IonicContact OD2-NH1 3Å; D622-R889 PolarHBondContact OD2-NH1 3.32Å; D622-R889 IonicContact OD2-NH2 2.63Å; D622-R889 PolarHBondContact OD2-NH2 3.02Å
623	P	84.2	Confident	83.3	Confident	82 Å²	82	58.2 Å²	58.2	53%	0.532	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.7	-12.7	-177.5	28.4	-35.5	0	0	0	113.1	Y621 F625 D626	Y621-P623 HydrophobicContact CE1-CB 4.28Å; P623-F625 PolarHBondContact O-N 3.21Å; P623-D626 WeakPolarHBondContact O-CB 3.34Å; P623-D626 VanDerWaalsContact O-CG 3.28Å; P623-D626 PolarHBondContact O-N 3.37Å
624	V	85.3	Confident	83.7	Confident	22 Å²	22	56 Å²	56	13%	0.133	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-63.1	-22.5	175.4	176.9	0	0	0	0	111.7	D622 I885 V890	D622-V624 PolarHBondContact O-N 3.35Å; D622-V624 VanDerWaalsContact O-N 3.1Å; D622-V624 VanDerWaalsContact OD1-CB 3.32Å; D622-V624 WeakPolarHBondContact OD1-CB 3.45Å; D622-V624 WeakPolarHBondContact OD1-CG2 3.49Å; D622-V624 PolarHBondContact OD1-N 2.72Å; D622-V624 VanDerWaalsContact OD1-N 3.15Å; V624-I885 HydrophobicContact CG1-CG2 3.98Å; V624-V890 HydrophobicContact CG1-CG2 4.09Å
625	F	87.8	Confident	84	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.031	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-85.6	-10.5	179.1	-54.6	-34.6	0	0	0	113.8	L520 K523 A524 D622 P623 L628 K629	L520-F625 HydrophobicContact CD2-CE1 4.26Å; L520-F625 HydrophobicContact CD2-CZ 4.39Å; L520-F625 WeakPolarHBondContact O-CE1 3.29Å; K523-F625 HydrophobicContact CB-CZ 4.44Å; K523-F625 HydrophobicContact CD-CZ 4.23Å; K523-F625 HydrophobicContact CG-CZ 4.19Å; A524-F625 HydrophobicContact CB-CB 4.42Å; A524-F625 HydrophobicContact CB-CD1 3.4Å; A524-F625 VanDerWaalsContact CB-CD1 3.4Å; A524-F625 HydrophobicContact CB-CD2 4.36Å; A524-F625 HydrophobicContact CB-CE1 3.63Å; A524-F625 HydrophobicContact CB-CG 3.81Å; A524-F625 HydrophobicContact CB-CZ 4.21Å; D622-F625 HydrophobicContact CB-CD2 3.8Å; D622-F625 HydrophobicContact CB-CE2 3.68Å; D622-F625 HydrophobicContact CB-CZ 4.34Å; D622-F625 PolarHBondContact O-N 2.91Å; P623-F625 PolarHBondContact O-N 3.21Å; F625-L628 WeakPolarHBondContact O-CB 3.46Å; F625-L628 PolarHBondContact O-N 3.02Å; F625-L628 VanDerWaalsContact O-N 3.15Å; F625-K629 WeakPolarHBondContact O-CG 3.33Å; F625-K629 PolarHBondContact O-N 3.26Å
626	D	87.2	Confident	84.4	Confident	53 Å²	53	52.6 Å²	52.6	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-46.3	-173.8	-60.7	-2.8	0	0	0	113.5	Y621 P623 L628 K629 E630	Y621-D626 PolarHBondContact OH-OD1 2.95Å; Y621-D626 PolarHBondContact OH-OD2 3.37Å; P623-D626 WeakPolarHBondContact O-CB 3.34Å; P623-D626 VanDerWaalsContact O-CG 3.28Å; P623-D626 PolarHBondContact O-N 3.37Å; D626-L628 VanDerWaalsContact C-N 3.26Å; D626-L628 PolarHBondContact O-N 3.26Å; D626-K629 PolarHBondContact O-N 3.14Å; D626-E630 WeakPolarHBondContact O-CB 3.42Å; D626-E630 PolarHBondContact O-N 3.32Å
627	P	89	Confident	84.9	Confident	55 Å²	55	53.6 Å²	53.6	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-34.8	178.8	-18.4	32.3	0	0	0	111.8	A631 L884	P627-A631 VanDerWaalsContact O-CB 3.29Å; P627-A631 WeakPolarHBondContact O-CB 3.41Å; P627-A631 PolarHBondContact O-N 2.96Å; P627-L884 WeakPolarHBondContact CB-O 3.44Å
628	L	89.2	Confident	85.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-45.6	175.4	-179.8	65.2	0	0	0	111.2	F521 A524 I528 F625 D626 E630 A631 V632 L874 L884 I885	F521-L628 HydrophobicContact CD2-CD1 4.41Å; F521-L628 HydrophobicContact CD2-CD2 3.97Å; F521-L628 HydrophobicContact CE2-CD1 3.94Å; F521-L628 HydrophobicContact CE2-CD2 4.08Å; A524-L628 HydrophobicContact CB-CD2 3.55Å; I528-L628 HydrophobicContact CD1-CD2 4.23Å; I528-L628 HydrophobicContact CD1-CG 4.21Å; F625-L628 WeakPolarHBondContact O-CB 3.46Å; F625-L628 PolarHBondContact O-N 3.02Å; F625-L628 VanDerWaalsContact O-N 3.15Å; D626-L628 VanDerWaalsContact C-N 3.26Å; D626-L628 PolarHBondContact O-N 3.26Å; L628-E630 VanDerWaalsContact C-N 3.33Å; L628-E630 PolarHBondContact O-N 3.35Å; L628-A631 PolarHBondContact O-N 3.21Å; L628-V632 HydrophobicContact CD1-CG2 4.27Å; L628-V632 HydrophobicContact CG-CG2 4.49Å; L628-V632 WeakPolarHBondContact O-CB 3.41Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.44Å; L628-V632 PolarHBondContact O-N 2.8Å; L628-L874 HydrophobicContact CD1-CD1 3.81Å; L628-L884 HydrophobicContact CD1-CB 4.49Å; L628-L884 HydrophobicContact CD1-CD1 3.87Å; L628-I885 HydrophobicContact CD2-CD1 4.38Å
629	K	88.8	Confident	85.5	Confident	28 Å²	28	53.5 Å²	53.5	12%	0.122	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-46.5	176.3	-74.4	-172.4	-179.2	-162.5	0	111	N527 I528 D531 F625 D626 V632 H633	N527-K629 VanDerWaalsContact OD1-CE 3.25Å; N527-K629 WeakPolarHBondContact OD1-CE 3.25Å; N527-K629 PolarHBondContact OD1-NZ 2.64Å; I528-K629 HydrophobicContact CD1-CG 4.07Å; I528-K629 HydrophobicContact CG1-CG 3.91Å; D531-K629 IonicContact OD2-NZ 3.27Å; D531-K629 PolarHBondContact OD2-NZ 3Å; F625-K629 WeakPolarHBondContact O-CG 3.33Å; F625-K629 PolarHBondContact O-N 3.26Å; D626-K629 PolarHBondContact O-N 3.14Å; K629-V632 PolarHBondContact O-N 2.91Å; K629-H633 WeakPolarHBondContact O-CB 3.45Å; K629-H633 PolarHBondContact O-N 3.37Å
630	E	88.5	Confident	86	Confident	92 Å²	92	47.8 Å²	47.8	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-65.3	-43.1	178.3	-178.1	55.3	-152	0	0	111.8	D626 L628 V632 H633 Q634	D626-E630 WeakPolarHBondContact O-CB 3.42Å; D626-E630 PolarHBondContact O-N 3.32Å; L628-E630 VanDerWaalsContact C-N 3.33Å; L628-E630 PolarHBondContact O-N 3.35Å; E630-V632 PolarHBondContact O-N 3.24Å; E630-H633 PolarHBondContact O-N 3.13Å; E630-H633 IonicContact OE2-ND1 3.8Å; E630-Q634 WeakPolarHBondContact O-CG 3.42Å; E630-Q634 PolarHBondContact O-N 3.49Å; E630-Q634 WeakPolarHBondContact OE1-CG 3.49Å; E630-Q634 PolarHBondContact OE1-NE2 2.85Å
631	A	88.2	Confident	86.5	Confident	13 Å²	13	49.9 Å²	49.9	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-44	176.5	0	0	0	0	0	112.1	P627 L628 Q634 E635 L884	P627-A631 VanDerWaalsContact O-CB 3.29Å; P627-A631 WeakPolarHBondContact O-CB 3.41Å; P627-A631 PolarHBondContact O-N 2.96Å; L628-A631 PolarHBondContact O-N 3.21Å; A631-Q634 PolarHBondContact O-N 3.15Å; A631-E635 WeakPolarHBondContact O-CG 3.38Å; A631-E635 PolarHBondContact O-N 2.9Å; A631-L884 HydrophobicContact CB-CD1 4.01Å; A631-L884 HydrophobicContact CB-CD2 3.7Å
632	V	89.7	Confident	86.8	Confident	3 Å²	3	48 Å²	48	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-44.5	175.7	169.2	0	0	0	0	110.3	I528 L628 K629 E630 Q634 E635 I636 V867 L871 L874	I528-V632 HydrophobicContact CD1-CG2 4.44Å; I528-V632 HydrophobicContact CG2-CG1 4.47Å; L628-V632 HydrophobicContact CD1-CG2 4.27Å; L628-V632 HydrophobicContact CG-CG2 4.49Å; L628-V632 WeakPolarHBondContact O-CB 3.41Å; L628-V632 VanDerWaalsContact O-CG2 3.25Å; L628-V632 WeakPolarHBondContact O-CG2 3.44Å; L628-V632 PolarHBondContact O-N 2.8Å; K629-V632 PolarHBondContact O-N 2.91Å; E630-V632 PolarHBondContact O-N 3.24Å; V632-Q634 PolarHBondContact O-N 2.92Å; V632-E635 PolarHBondContact O-N 2.91Å; V632-I636 HydrophobicContact CG1-CD1 3.53Å; V632-I636 HydrophobicContact CG1-CG1 4.35Å; V632-I636 WeakPolarHBondContact O-CB 3.29Å; V632-I636 VanDerWaalsContact O-CD1 3.3Å; V632-I636 WeakPolarHBondContact O-CD1 3.41Å; V632-I636 WeakPolarHBondContact O-CG1 3.13Å; V632-I636 PolarHBondContact O-N 3Å; V632-V867 HydrophobicContact CG1-CG1 4.18Å; V632-L871 HydrophobicContact CG2-CD2 3.66Å; V632-L871 HydrophobicContact CG2-CG 4.24Å; V632-L874 HydrophobicContact CG2-CD1 3.7Å
633	H	87.3	Confident	86.9	Confident	16 Å²	16	48.5 Å²	48.5	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-40.2	178.6	-174.1	-134.7	0	0	0	112.8	Y605 D609 K629 E630 I636 R637	Y605-H633 AromaticContact CD1-NE2 3.87Å; D609-H633 IonicContact OD1-CE1 3.54Å; D609-H633 PolarHBondContact OD1-CE1 3.27Å; D609-H633 IonicContact OD1-NE2 2.77Å; D609-H633 PolarHBondContact OD1-NE2 2.96Å; K629-H633 WeakPolarHBondContact O-CB 3.45Å; K629-H633 PolarHBondContact O-N 3.37Å; E630-H633 PolarHBondContact O-N 3.13Å; E630-H633 IonicContact OE2-ND1 3.8Å; H633-I636 PolarHBondContact O-N 3.48Å; H633-R637 PolarHBondContact CE1-NE 3.41Å; H633-R637 PolarHBondContact CE1-NH2 3.39Å; H633-R637 PolarHBondContact NE2-NE 2.82Å; H633-R637 VanDerWaalsContact NE2-NE 3.16Å; H633-R637 PolarHBondContact NE2-NH2 3.41Å; H633-R637 WeakPolarHBondContact O-CG 3.38Å; H633-R637 PolarHBondContact O-N 3.47Å
634	Q	88.5	Confident	86.8	Confident	93 Å²	93	49.7 Å²	49.7	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-40.9	174.2	-71.1	178.5	13.5	0	0	112.9	E630 A631 V632 I636 R637 K638	E630-Q634 WeakPolarHBondContact O-CG 3.42Å; E630-Q634 PolarHBondContact O-N 3.49Å; E630-Q634 WeakPolarHBondContact OE1-CG 3.49Å; E630-Q634 PolarHBondContact OE1-NE2 2.85Å; A631-Q634 PolarHBondContact O-N 3.15Å; V632-Q634 PolarHBondContact O-N 2.92Å; Q634-I636 VanDerWaalsContact C-N 3.34Å; Q634-R637 PolarHBondContact O-N 3.47Å; Q634-K638 WeakPolarHBondContact O-CG 3.39Å; Q634-K638 PolarHBondContact O-N 3.07Å
635	E	87.6	Confident	87	Confident	32 Å²	32	55 Å²	55	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.8	-74.8	-72.3	166.6	0	0	111.2	A631 V632 K638 R639 A870 R880	A631-E635 WeakPolarHBondContact O-CG 3.38Å; A631-E635 PolarHBondContact O-N 2.9Å; V632-E635 PolarHBondContact O-N 2.91Å; E635-K638 PolarHBondContact O-N 3.31Å; E635-R639 WeakPolarHBondContact O-CB 3.48Å; E635-R639 VanDerWaalsContact O-CG 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.44Å; E635-R639 PolarHBondContact O-N 3.23Å; E635-R639 VanDerWaalsContact O-N 3.12Å; E635-R639 IonicContact OE2-CZ 2.93Å; E635-R639 IonicContact OE2-NE 3.73Å; E635-R639 PolarHBondContact OE2-NE 3.49Å; E635-R639 IonicContact OE2-NH2 3.67Å; E635-R639 PolarHBondContact OE2-NH2 3.48Å; E635-A870 HydrophobicContact CB-CB 4.2Å; E635-R880 IonicContact OE1-CZ 2.9Å; E635-R880 IonicContact OE1-NH1 2.88Å; E635-R880 PolarHBondContact OE1-NH1 2.64Å; E635-R880 IonicContact OE1-NH2 3.38Å; E635-R880 PolarHBondContact OE1-NH2 3.43Å
636	I	87.6	Confident	87	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-49	177.2	-68.7	159	0	0	0	110.7	Y605 V632 H633 Q634 K638 R639 H640 L863 V867	Y605-I636 HydrophobicContact CE1-CG2 4.38Å; V632-I636 HydrophobicContact CG1-CD1 3.53Å; V632-I636 HydrophobicContact CG1-CG1 4.35Å; V632-I636 WeakPolarHBondContact O-CB 3.29Å; V632-I636 VanDerWaalsContact O-CD1 3.3Å; V632-I636 WeakPolarHBondContact O-CD1 3.41Å; V632-I636 WeakPolarHBondContact O-CG1 3.13Å; V632-I636 PolarHBondContact O-N 3Å; H633-I636 PolarHBondContact O-N 3.48Å; Q634-I636 VanDerWaalsContact C-N 3.34Å; I636-K638 PolarHBondContact O-N 2.96Å; I636-R639 PolarHBondContact O-N 2.85Å; I636-H640 HydrophobicContact CG2-CB 4.42Å; I636-H640 WeakPolarHBondContact O-CB 3.45Å; I636-H640 PolarHBondContact O-N 3.31Å; I636-L863 HydrophobicContact CG2-CD1 3.37Å; I636-V867 HydrophobicContact CD1-CB 4.19Å; I636-V867 HydrophobicContact CD1-CG2 3.21Å; I636-V867 HydrophobicContact CG1-CG2 3.95Å
637	R	86.6	Confident	87.2	Confident	118 Å²	118	54.6 Å²	54.6	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-57.9	-32.8	179.9	-77.3	-179.6	-177.9	-153.2	-4	112.9	Y605 D609 H633 Q634	Y605-R637 HydrophobicContact CD1-CG 4.18Å; Y605-R637 HydrophobicContact CE1-CG 3.68Å; D609-R637 IonicContact OD1-NH2 3.07Å; D609-R637 PolarHBondContact OD1-NH2 2.9Å; D609-R637 IonicContact OD2-NH2 3.37Å; D609-R637 PolarHBondContact OD2-NH2 2.98Å; H633-R637 PolarHBondContact CE1-NE 3.41Å; H633-R637 PolarHBondContact CE1-NH2 3.39Å; H633-R637 PolarHBondContact NE2-NE 2.82Å; H633-R637 VanDerWaalsContact NE2-NE 3.16Å; H633-R637 PolarHBondContact NE2-NH2 3.41Å; H633-R637 WeakPolarHBondContact O-CG 3.38Å; H633-R637 PolarHBondContact O-N 3.47Å; Q634-R637 PolarHBondContact O-N 3.47Å
638	K	86.8	Confident	87.4	Confident	149 Å²	149	54.7 Å²	54.7	65%	0.648	26%	0.261	S	S	*	.	H	α-helix	trans	-75.8	-33.2	176.5	-69.4	173.4	-175.1	175.8	0	113.2	Q634 E635 I636	Q634-K638 WeakPolarHBondContact O-CG 3.39Å; Q634-K638 PolarHBondContact O-N 3.07Å; E635-K638 PolarHBondContact O-N 3.31Å; I636-K638 PolarHBondContact O-N 2.96Å
639	R	84.8	Confident	87.5	Confident	60 Å²	60	60.2 Å²	60.2	23%	0.226	28%	0.282	C	S	.	.	H	α-helix	trans	-95	-21	-174.6	-66.6	176.2	-167.2	-141.3	3	113.7	E635 I636 H641 Y866 E873	E635-R639 WeakPolarHBondContact O-CB 3.48Å; E635-R639 VanDerWaalsContact O-CG 3.29Å; E635-R639 WeakPolarHBondContact O-CG 3.44Å; E635-R639 PolarHBondContact O-N 3.23Å; E635-R639 VanDerWaalsContact O-N 3.12Å; E635-R639 IonicContact OE2-CZ 2.93Å; E635-R639 IonicContact OE2-NE 3.73Å; E635-R639 PolarHBondContact OE2-NE 3.49Å; E635-R639 IonicContact OE2-NH2 3.67Å; E635-R639 PolarHBondContact OE2-NH2 3.48Å; I636-R639 PolarHBondContact O-N 2.85Å; R639-H641 PolarHBondContact O-CE1 3.37Å; R639-H641 PolarHBondContact O-N 3.17Å; R639-H641 PolarHBondContact O-ND1 2.96Å; R639-Y866 HydrophobicContact CB-CD1 4.5Å; R639-E873 IonicContact CZ-OE1 2.65Å; R639-E873 IonicContact CZ-OE2 2.78Å; R639-E873 VanDerWaalsContact CZ-OE2 3.25Å; R639-E873 VanDerWaalsContact NH1-CD 3.26Å; R639-E873 IonicContact NH1-OE1 3.66Å; R639-E873 PolarHBondContact NH1-OE1 3.39Å; R639-E873 IonicContact NH1-OE2 2.82Å; R639-E873 PolarHBondContact NH1-OE2 3.41Å; R639-E873 IonicContact NH2-OE1 2.69Å; R639-E873 IonicContact NH2-OE2 2.63Å; R639-E873 PolarHBondContact NH2-OE2 3.25Å
640	H	83.3	Confident	87.8	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.046	28%	0.276	C	S	.	.			trans	-73.3	115.9	-175.2	-177.4	-109.8	0	0	0	110	Y605 I636 E859	Y605-H640 AromaticContact CE2-ND1 3.85Å; Y605-H640 AromaticContact CZ-ND1 3.93Å; Y605-H640 WeakPolarHBondContact OH-CB 3.28Å; Y605-H640 PolarHBondContact OH-ND1 3.28Å; I636-H640 HydrophobicContact CG2-CB 4.42Å; I636-H640 WeakPolarHBondContact O-CB 3.45Å; I636-H640 PolarHBondContact O-N 3.31Å; H640-E859 IonicContact CD2-OE2 3.28Å; H640-E859 IonicContact CE1-OE2 3.92Å; H640-E859 IonicContact NE2-OE2 2.65Å; H640-E859 PolarHBondContact NE2-OE2 3.38Å
641	H	84.1	Confident	88	Confident	122 Å²	122	58.1 Å²	58.1	57%	0.565	27%	0.269	S	S	*	.			trans	-124.3	135.8	174	-60.2	80.1	0	0	0	107.4	R639 R862	R639-H641 PolarHBondContact O-CE1 3.37Å; R639-H641 PolarHBondContact O-N 3.17Å; R639-H641 PolarHBondContact O-ND1 2.96Å; H641-R862 PolarHBondContact O-NH1 3.25Å
642	W	85	Confident	88.4	Confident	23 Å²	23	61.7 Å²	61.7	9%	0.087	29%	0.29	C	S	.	.			trans	-68.3	158.6	175.4	-154	-86.5	0	0	0	111.1	I597 L601 P644 L851 Q854 I855 E859	I597-W642 HydrophobicContact CG2-CB 3.68Å; I597-W642 HydrophobicContact CG2-CD2 3.87Å; I597-W642 HydrophobicContact CG2-CE3 4.4Å; I597-W642 HydrophobicContact CG2-CG 3.53Å; L601-W642 HydrophobicContact CB-CE3 4.25Å; L601-W642 HydrophobicContact CB-CZ3 4.23Å; W642-P644 WeakPolarHBondContact O-CD 3.33Å; W642-P644 VanDerWaalsContact O-N 3.14Å; W642-L851 HydrophobicContact CZ2-CD2 4.06Å; W642-Q854 HydrophobicContact CZ2-CB 4.11Å; W642-I855 HydrophobicContact CH2-CD1 4.07Å; W642-I855 HydrophobicContact CH2-CG1 3.49Å; W642-I855 VanDerWaalsContact CH2-CG1 3.49Å; W642-I855 HydrophobicContact CZ2-CG1 4.19Å; W642-I855 HydrophobicContact CZ3-CG1 4.41Å; W642-E859 HydrophobicContact CD2-CG 4.15Å; W642-E859 HydrophobicContact CE3-CG 4.06Å; W642-E859 HydrophobicContact CH2-CG 3.96Å; W642-E859 HydrophobicContact CZ2-CG 3.99Å; W642-E859 HydrophobicContact CZ3-CG 3.96Å
643	D	85	Confident	88.5	Confident	33 Å²	33	64.5 Å²	64.5	18%	0.176	30%	0.304	C	S	.	.			trans	-54.7	119.3	171.2	179.5	11.3	0	0	0	110.5	K645 A646 R649 E859	D643-K645 PolarHBondContact O-N 2.67Å; D643-K645 VanDerWaalsContact O-N 3.13Å; D643-K645 PolarHBondContact OD1-N 3.33Å; D643-A646 HydrophobicContact CB-CB 4.35Å; D643-A646 WeakPolarHBondContact O-CB 3.33Å; D643-A646 PolarHBondContact O-N 3.38Å; D643-R649 IonicContact OD2-CZ 2.73Å; D643-R649 IonicContact OD2-NH1 3.97Å; D643-R649 IonicContact OD2-NH2 3.11Å; D643-E859 PolarHBondContact N-OE1 2.87Å
644	P	83.3	Confident	88.9	Confident	108 Å²	108	63.7 Å²	63.7	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	177.4	24.7	-35.5	0	0	0	113	W642 A646	W642-P644 WeakPolarHBondContact O-CD 3.33Å; W642-P644 VanDerWaalsContact O-N 3.14Å; P644-A646 VanDerWaalsContact C-N 3.26Å; P644-A646 PolarHBondContact O-N 2.89Å
645	K	89.2	Confident	89.2	Confident	134 Å²	134	61 Å²	61	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-77.2	-10.9	174.8	-61.5	179.7	-179.7	177.8	0	113	D643 E647 S648 R649	D643-K645 PolarHBondContact O-N 2.67Å; D643-K645 VanDerWaalsContact O-N 3.13Å; D643-K645 PolarHBondContact OD1-N 3.33Å; K645-E647 VanDerWaalsContact C-N 3.27Å; K645-E647 PolarHBondContact O-N 2.88Å; K645-S648 PolarHBondContact O-N 3.47Å; K645-S648 PolarHBondContact O-OG 3.27Å; K645-R649 WeakPolarHBondContact O-CG 3.19Å; K645-R649 PolarHBondContact O-N 2.97Å; K645-R649 VanDerWaalsContact O-N 3.12Å
646	A	88.1	Confident	89.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-35.4	178.1	0	0	0	0	0	111.8	I597 D643 P644 S648 R649 L650	I597-A646 HydrophobicContact CD1-CB 4.01Å; I597-A646 HydrophobicContact CG1-CB 4.46Å; D643-A646 HydrophobicContact CB-CB 4.35Å; D643-A646 WeakPolarHBondContact O-CB 3.33Å; D643-A646 PolarHBondContact O-N 3.38Å; P644-A646 VanDerWaalsContact C-N 3.26Å; P644-A646 PolarHBondContact O-N 2.89Å; A646-S648 VanDerWaalsContact C-N 3.34Å; A646-S648 PolarHBondContact O-N 3.25Å; A646-R649 PolarHBondContact O-N 3.48Å; A646-L650 WeakPolarHBondContact O-CB 3.2Å; A646-L650 VanDerWaalsContact O-CG 3.3Å; A646-L650 WeakPolarHBondContact O-CG 3.26Å; A646-L650 PolarHBondContact O-N 2.95Å
647	E	91.1	Very high	89.7	Confident	51 Å²	51	64.9 Å²	64.9	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-44.3	-179.5	-163.9	-171.6	136.3	0	0	111	P593 K594 I597 K645 R651	P593-E647 HydrophobicContact CB-CG 3.59Å; K594-E647 VanDerWaalsContact CE-CD 3.45Å; K594-E647 WeakPolarHBondContact CE-OE1 3.34Å; K594-E647 WeakPolarHBondContact CE-OE2 3.25Å; K594-E647 HydrophobicContact CG-CG 4.19Å; I597-E647 HydrophobicContact CD1-CB 3.88Å; I597-E647 HydrophobicContact CD1-CG 4.4Å; K645-E647 VanDerWaalsContact C-N 3.27Å; K645-E647 PolarHBondContact O-N 2.88Å; E647-R651 WeakPolarHBondContact O-CB 3.46Å; E647-R651 PolarHBondContact O-N 3.43Å; E647-R651 IonicContact OE1-NH2 2.66Å; E647-R651 PolarHBondContact OE1-NH2 3.43Å
648	S	92	Very high	90	Very high	57 Å²	57	59.3 Å²	59.3	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-70.6	-38.9	177.9	60.1	0	0	0	0	112.6	K645 A646 R651 V652	K645-S648 PolarHBondContact O-N 3.47Å; K645-S648 PolarHBondContact O-OG 3.27Å; A646-S648 VanDerWaalsContact C-N 3.34Å; A646-S648 PolarHBondContact O-N 3.25Å; S648-R651 PolarHBondContact O-N 3.04Å; S648-V652 PolarHBondContact O-N 3.1Å
649	R	92.1	Very high	90.2	Very high	116 Å²	116	55.5 Å²	55.5	44%	0.438	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-45.4	175	-69.3	177	-167.6	166.4	9.6	111.8	D643 K645 A646 R651 V652 I653	D643-R649 IonicContact OD2-CZ 2.73Å; D643-R649 IonicContact OD2-NH1 3.97Å; D643-R649 IonicContact OD2-NH2 3.11Å; K645-R649 WeakPolarHBondContact O-CG 3.19Å; K645-R649 PolarHBondContact O-N 2.97Å; K645-R649 VanDerWaalsContact O-N 3.12Å; A646-R649 PolarHBondContact O-N 3.48Å; R649-R651 VanDerWaalsContact C-N 3.35Å; R649-V652 PolarHBondContact O-N 2.88Å; R649-I653 WeakPolarHBondContact O-CG1 3.39Å; R649-I653 PolarHBondContact O-N 3.05Å
650	L	94.1	Very high	90.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-41	177.8	-74.1	174.1	0	0	0	111.2	P593 I597 A646 V652 I653 Q654 T847 A850 L851	P593-L650 HydrophobicContact CB-CB 4.41Å; I597-L650 HydrophobicContact CD1-CD1 4.23Å; I597-L650 HydrophobicContact CG1-CD1 3.62Å; A646-L650 WeakPolarHBondContact O-CB 3.2Å; A646-L650 VanDerWaalsContact O-CG 3.3Å; A646-L650 WeakPolarHBondContact O-CG 3.26Å; A646-L650 PolarHBondContact O-N 2.95Å; L650-V652 VanDerWaalsContact C-N 3.3Å; L650-V652 PolarHBondContact O-N 3.29Å; L650-I653 PolarHBondContact O-N 3.46Å; L650-Q654 VanDerWaalsContact O-CB 3.24Å; L650-Q654 WeakPolarHBondContact O-CB 3.38Å; L650-Q654 WeakPolarHBondContact O-CG 3.29Å; L650-Q654 PolarHBondContact O-N 2.81Å; L650-T847 HydrophobicContact CD2-CG2 4.36Å; L650-A850 HydrophobicContact CD2-CB 3.85Å; L650-L851 HydrophobicContact CD1-CD2 3.88Å; L650-L851 HydrophobicContact CD2-CD2 4.45Å; L650-L851 HydrophobicContact CD2-CG 4.47Å
651	R	94.6	Very high	90.4	Very high	75 Å²	75	57.8 Å²	57.8	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-45.2	176.3	-169.9	-179.1	-63.1	109.2	3.4	112.1	V588 E589 P593 E647 S648 R649 Q654 S655	V588-R651 HydrophobicContact CG1-CG 3.91Å; E589-R651 PolarHBondContact O-NE 3.35Å; E589-R651 PolarHBondContact O-NH2 3Å; P593-R651 HydrophobicContact CG-CB 4.01Å; P593-R651 HydrophobicContact CG-CG 4.39Å; E647-R651 WeakPolarHBondContact O-CB 3.46Å; E647-R651 PolarHBondContact O-N 3.43Å; E647-R651 IonicContact OE1-NH2 2.66Å; E647-R651 PolarHBondContact OE1-NH2 3.43Å; S648-R651 PolarHBondContact O-N 3.04Å; R649-R651 VanDerWaalsContact C-N 3.35Å; R651-Q654 PolarHBondContact O-N 3.41Å; R651-S655 VanDerWaalsContact O-CB 3.31Å; R651-S655 WeakPolarHBondContact O-CB 3.36Å; R651-S655 PolarHBondContact O-N 3.27Å
652	V	94.7	Very high	90.5	Very high	88 Å²	88	54.8 Å²	54.8	53%	0.533	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-46.2	177.9	176.3	0	0	0	0	111.4	S648 R649 L650 Q654 N656	S648-V652 PolarHBondContact O-N 3.1Å; R649-V652 PolarHBondContact O-N 2.88Å; L650-V652 VanDerWaalsContact C-N 3.3Å; L650-V652 PolarHBondContact O-N 3.29Å; V652-Q654 VanDerWaalsContact C-N 3.34Å; V652-Q654 PolarHBondContact O-N 2.98Å; V652-N656 WeakPolarHBondContact O-CB 3.47Å; V652-N656 PolarHBondContact O-N 2.98Å; V652-N656 PolarHBondContact O-ND2 3.3Å
653	I	93.4	Very high	90.6	Very high	62 Å²	62	54 Å²	54	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-43.6	179.3	-66.4	169.2	0	0	0	110.9	R649 L650 A657 A846 A850	R649-I653 WeakPolarHBondContact O-CG1 3.39Å; R649-I653 PolarHBondContact O-N 3.05Å; L650-I653 PolarHBondContact O-N 3.46Å; I653-A657 WeakPolarHBondContact O-CB 3.43Å; I653-A657 PolarHBondContact O-N 3.02Å; I653-A846 HydrophobicContact CG2-CB 3.76Å; I653-A850 HydrophobicContact CD1-CB 3.77Å
654	Q	95.4	Very high	90.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.9	-42.2	-178.5	-72	170.6	-17.3	0	0	111.9	V588 L592 S596 L650 R651 V652 A657 L658 M843 T847	V588-Q654 HydrophobicContact CG1-CB 4.13Å; V588-Q654 HydrophobicContact CG2-CB 4.41Å; L592-Q654 HydrophobicContact CD2-CB 4.01Å; L592-Q654 HydrophobicContact CD2-CG 4.04Å; S596-Q654 PolarHBondContact OG-NE2 3.38Å; L650-Q654 VanDerWaalsContact O-CB 3.24Å; L650-Q654 WeakPolarHBondContact O-CB 3.38Å; L650-Q654 WeakPolarHBondContact O-CG 3.29Å; L650-Q654 PolarHBondContact O-N 2.81Å; R651-Q654 PolarHBondContact O-N 3.41Å; V652-Q654 VanDerWaalsContact C-N 3.34Å; V652-Q654 PolarHBondContact O-N 2.98Å; Q654-A657 PolarHBondContact O-N 3.3Å; Q654-L658 WeakPolarHBondContact O-CB 3.32Å; Q654-L658 WeakPolarHBondContact O-CG 3.5Å; Q654-L658 PolarHBondContact O-N 2.98Å; Q654-M843 HydrophobicContact CB-CG 4.18Å; Q654-M843 HydrophobicContact CG-CG 4.07Å; Q654-M843 HydrophobicContact CG-SD 4.28Å; Q654-T847 VanDerWaalsContact CG-OG1 3.3Å; Q654-T847 WeakPolarHBondContact CG-OG1 3.24Å; Q654-T847 VanDerWaalsContact NE2-CG2 3.34Å; Q654-T847 PolarHBondContact NE2-OG1 2.89Å
655	S	94.5	Very high	91	Very high	35 Å²	35	56.2 Å²	56.2	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-54.3	174.4	-163.8	0	0	0	0	110	R651 A657 L658 D659	R651-S655 VanDerWaalsContact O-CB 3.31Å; R651-S655 WeakPolarHBondContact O-CB 3.36Å; R651-S655 PolarHBondContact O-N 3.27Å; S655-A657 VanDerWaalsContact C-N 3.26Å; S655-A657 PolarHBondContact O-N 3.41Å; S655-L658 CarbonylContact O-C 3.56Å; S655-L658 PolarHBondContact O-N 3.25Å; S655-D659 WeakPolarHBondContact O-CB 3.2Å; S655-D659 PolarHBondContact O-N 3.41Å; S655-D659 PolarHBondContact OG-OD2 3.4Å
656	N	93.8	Very high	91	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	29%	0.288	S	S	*	.	H	α-helix	trans	-58.4	-37.8	-179	-68.8	-13.8	0	0	0	112.7	V652	V652-N656 WeakPolarHBondContact O-CB 3.47Å; V652-N656 PolarHBondContact O-N 2.98Å; V652-N656 PolarHBondContact O-ND2 3.3Å
657	A	92.5	Very high	91.2	Very high	14 Å²	14	60.7 Å²	60.7	12%	0.116	32%	0.319	C	S	.	.	H	α-helix	trans	-72.2	-30.3	178.3	0	0	0	0	0	113.4	I653 Q654 S655 M843 A846	I653-A657 WeakPolarHBondContact O-CB 3.43Å; I653-A657 PolarHBondContact O-N 3.02Å; Q654-A657 PolarHBondContact O-N 3.3Å; S655-A657 VanDerWaalsContact C-N 3.26Å; S655-A657 PolarHBondContact O-N 3.41Å; A657-M843 HydrophobicContact CB-CB 4.09Å; A657-A846 HydrophobicContact CB-CB 4.25Å
658	L	93	Very high	91.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-86.3	-29.4	177.7	-72.3	169.5	0	0	0	112.6	L584 V588 L592 Q654 S655 D660 R839 L840 M843	L584-L658 HydrophobicContact CD1-CD2 4.29Å; L584-L658 HydrophobicContact CD2-CD1 4.3Å; L584-L658 HydrophobicContact CD2-CD2 4.09Å; V588-L658 HydrophobicContact CG2-CD1 3.16Å; V588-L658 HydrophobicContact CG2-CG 4.49Å; L592-L658 HydrophobicContact CD2-CD1 4.29Å; Q654-L658 WeakPolarHBondContact O-CB 3.32Å; Q654-L658 WeakPolarHBondContact O-CG 3.5Å; Q654-L658 PolarHBondContact O-N 2.98Å; S655-L658 CarbonylContact O-C 3.56Å; S655-L658 PolarHBondContact O-N 3.25Å; L658-D660 VanDerWaalsContact C-N 3.25Å; L658-D660 PolarHBondContact O-N 3Å; L658-R839 HydrophobicContact CD2-CB 4.13Å; L658-R839 PolarHBondContact O-NE 3.29Å; L658-R839 PolarHBondContact O-NH2 3.39Å; L658-L840 HydrophobicContact CD2-CD2 4.21Å; L658-M843 HydrophobicContact CD1-CB 4.42Å; L658-M843 HydrophobicContact CD1-CG 3.93Å; L658-M843 HydrophobicContact CD2-CB 3.76Å; L658-M843 HydrophobicContact CD2-CG 4.16Å; L658-M843 HydrophobicContact CG-CB 3.8Å; L658-M843 HydrophobicContact CG-CG 3.84Å
659	D	90.2	Very high	91.2	Very high	69 Å²	69	58.9 Å²	58.9	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-74.1	-15.8	-179.5	-69.3	-37.7	0	0	0	112.9	S655 H661	S655-D659 WeakPolarHBondContact O-CB 3.2Å; S655-D659 PolarHBondContact O-N 3.41Å; S655-D659 PolarHBondContact OG-OD2 3.4Å; D659-H661 PolarHBondContact O-CE1 2.9Å; D659-H661 VanDerWaalsContact O-CE1 3.3Å; D659-H661 PolarHBondContact O-N 2.99Å; D659-H661 PolarHBondContact O-ND1 3.41Å
660	D	87.6	Confident	91.1	Very high	52 Å²	52	55 Å²	55	28%	0.278	29%	0.294	S	S	.	.			trans	-81.8	109.3	174.5	178.6	6.1	0	0	0	111.2	L658 T662 R839 R842	L658-D660 VanDerWaalsContact C-N 3.25Å; L658-D660 PolarHBondContact O-N 3Å; D660-T662 WeakPolarHBondContact OD1-CB 3.43Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 PolarHBondContact OD1-OG1 3.13Å; D660-R839 VanDerWaalsContact O-CG 3.31Å; D660-R839 WeakPolarHBondContact O-CG 3.31Å; D660-R842 PolarHBondContact O-NH2 3.14Å; D660-R842 IonicContact OD1-CZ 3.12Å; D660-R842 IonicContact OD1-NH1 3.92Å; D660-R842 IonicContact OD1-NH2 3Å; D660-R842 IonicContact OD2-CZ 2.73Å; D660-R842 VanDerWaalsContact OD2-CZ 3.26Å; D660-R842 IonicContact OD2-NE 3.63Å; D660-R842 IonicContact OD2-NH1 3.35Å; D660-R842 PolarHBondContact OD2-NH1 2.85Å; D660-R842 IonicContact OD2-NH2 2.59Å
661	H	85.5	Confident	91	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.306	31%	0.308	S	S	.	.			trans	-87	-3.4	177.4	-54.7	74.8	0	0	0	114.2	D581 D659 Y791	D581-H661 IonicContact OD1-NE2 2.76Å; D581-H661 PolarHBondContact OD1-NE2 3Å; D581-H661 VanDerWaalsContact OD1-NE2 3.1Å; D581-H661 IonicContact OD2-CE1 3.55Å; D581-H661 IonicContact OD2-NE2 3.17Å; D581-H661 PolarHBondContact OD2-NE2 3.43Å; D659-H661 PolarHBondContact O-CE1 2.9Å; D659-H661 VanDerWaalsContact O-CE1 3.3Å; D659-H661 PolarHBondContact O-N 2.99Å; D659-H661 PolarHBondContact O-ND1 3.41Å; H661-Y791 PolarHBondContact O-OH 3.09Å
662	T	85.2	Confident	91	Very high	58 Å²	58	53.2 Å²	53.2	36%	0.356	30%	0.295	S	S	.	.			trans	-87.9	144.8	-170.1	67.5	0	0	0	0	112.1	D660 H664 Y791 R842	D660-T662 WeakPolarHBondContact OD1-CB 3.43Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 PolarHBondContact OD1-OG1 3.13Å; T662-H664 PolarHBondContact OG1-CE1 2.96Å; T662-H664 PolarHBondContact OG1-NE2 3.33Å; T662-Y791 VanDerWaalsContact CA-OH 3.31Å; T662-Y791 WeakPolarHBondContact CA-OH 3.43Å; T662-R842 PolarHBondContact O-NH1 3.4Å; T662-R842 PolarHBondContact O-NH2 2.89Å
663	V	87.5	Confident	90.9	Very high	7 Å²	7	49 Å²	49	4%	0.042	27%	0.269	C	S	.	.			trans	-121.4	103.6	173.1	-172.8	0	0	0	0	108.7	Q668 W669 Y791 S838	V663-Q668 HydrophobicContact CG1-CB 3.85Å; V663-W669 HydrophobicContact CB-CE3 4.15Å; V663-W669 HydrophobicContact CG1-CB 3.99Å; V663-W669 HydrophobicContact CG1-CE3 4.08Å; V663-W669 HydrophobicContact CG2-CE3 4.24Å; V663-Y791 HydrophobicContact CB-CD1 4.42Å; V663-Y791 HydrophobicContact CB-CE1 3.72Å; V663-Y791 HydrophobicContact CG2-CE1 4.33Å; V663-Y791 PolarHBondContact N-OH 3.26Å; V663-Y791 WeakPolarHBondContact O-CE1 3.4Å; V663-S838 WeakPolarHBondContact CG2-OG 3.49Å
664	H	85.8	Confident	90.9	Very high	127 Å²	127	48.2 Å²	48.2	59%	0.588	27%	0.266	S	S	*	.			trans	-80.3	-32.5	-168.6	-58	-60.7	0	0	0	113.6	T662	T662-H664 PolarHBondContact OG1-CE1 2.96Å; T662-H664 PolarHBondContact OG1-NE2 3.33Å
665	T	90.1	Very high	90.8	Very high	61 Å²	61	49.3 Å²	49.3	37%	0.374	27%	0.271	S	S	.	.			trans	-122.2	146.9	-171.1	66.1	0	0	0	0	112.2	S667 Q668 W669	T665-S667 PolarHBondContact O-N 2.83Å; T665-Q668 PolarHBondContact O-N 2.81Å; T665-Q668 VanDerWaalsContact O-N 3.17Å; T665-Q668 WeakPolarHBondContact OG1-CB 3.37Å; T665-Q668 VanDerWaalsContact OG1-CD 3.27Å; T665-Q668 WeakPolarHBondContact OG1-CG 3.43Å; T665-Q668 PolarHBondContact OG1-N 3.37Å; T665-Q668 PolarHBondContact OG1-OE1 3.11Å; T665-W669 PolarHBondContact O-N 3.21Å; T665-W669 VanDerWaalsContact O-N 3.09Å
666	K	90.2	Very high	90.7	Very high	136 Å²	136	47.8 Å²	47.8	59%	0.591	26%	0.261	S	S	*	.	H	α-helix	trans	-58.2	-31	173.2	-172.5	177	178.2	-179.1	0	112.2	W669 T670 F788	K666-W669 PolarHBondContact O-N 3.17Å; K666-T670 WeakPolarHBondContact O-CB 3.19Å; K666-T670 PolarHBondContact O-N 3.36Å; K666-T670 PolarHBondContact O-OG1 2.78Å; K666-F788 HydrophobicContact CB-CD1 3.68Å; K666-F788 HydrophobicContact CB-CE1 3.76Å; K666-F788 HydrophobicContact CB-CG 4.18Å; K666-F788 HydrophobicContact CB-CZ 4.3Å; K666-F788 HydrophobicContact CD-CD1 4.46Å; K666-F788 HydrophobicContact CG-CB 4.46Å; K666-F788 HydrophobicContact CG-CD1 3.94Å; K666-F788 HydrophobicContact CG-CG 4.22Å; K666-F788 VanDerWaalsContact N-CZ 3.34Å
667	S	91.2	Very high	90.7	Very high	92 Å²	92	44.1 Å²	44.1	64%	0.643	24%	0.24	S	C	*	.	H	α-helix	trans	-64.2	-49.2	176	-176	0	0	0	0	111.6	T665 W669 T670 A671	T665-S667 PolarHBondContact O-N 2.83Å; S667-W669 VanDerWaalsContact C-N 3.32Å; S667-W669 PolarHBondContact O-N 3.41Å; S667-T670 PolarHBondContact O-N 3.37Å; S667-A671 WeakPolarHBondContact O-CB 3.14Å; S667-A671 PolarHBondContact O-N 3.26Å
668	Q	90.1	Very high	90.8	Very high	69 Å²	69	50 Å²	50	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-42.8	175.3	-73.6	164.5	-9.5	0	0	111.8	V663 T665 A671 A672	V663-Q668 HydrophobicContact CG1-CB 3.85Å; T665-Q668 PolarHBondContact O-N 2.81Å; T665-Q668 VanDerWaalsContact O-N 3.17Å; T665-Q668 WeakPolarHBondContact OG1-CB 3.37Å; T665-Q668 VanDerWaalsContact OG1-CD 3.27Å; T665-Q668 WeakPolarHBondContact OG1-CG 3.43Å; T665-Q668 PolarHBondContact OG1-N 3.37Å; T665-Q668 PolarHBondContact OG1-OE1 3.11Å; Q668-A671 PolarHBondContact O-N 2.81Å; Q668-A672 WeakPolarHBondContact O-CB 3.48Å; Q668-A672 PolarHBondContact O-N 3.26Å
669	W	92.9	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-48.4	175.8	-175.2	-86.7	0	0	0	112	V663 T665 K666 S667 A671 A672 V673 C784 F788 Y791 L796 C831 V834 I835	V663-W669 HydrophobicContact CB-CE3 4.15Å; V663-W669 HydrophobicContact CG1-CB 3.99Å; V663-W669 HydrophobicContact CG1-CE3 4.08Å; V663-W669 HydrophobicContact CG2-CE3 4.24Å; T665-W669 PolarHBondContact O-N 3.21Å; T665-W669 VanDerWaalsContact O-N 3.09Å; K666-W669 PolarHBondContact O-N 3.17Å; S667-W669 VanDerWaalsContact C-N 3.32Å; S667-W669 PolarHBondContact O-N 3.41Å; W669-A671 PolarHBondContact O-N 3.2Å; W669-A672 PolarHBondContact O-N 3.46Å; W669-V673 WeakPolarHBondContact O-CG2 3.42Å; W669-V673 PolarHBondContact O-N 3.06Å; W669-C784 PolarHBondContact NE1-O 3.49Å; W669-F788 HydrophobicContact CB-CB 4.34Å; W669-F788 HydrophobicContact CB-CD2 3.5Å; W669-F788 VanDerWaalsContact CB-CD2 3.5Å; W669-F788 HydrophobicContact CB-CE2 4.17Å; W669-F788 HydrophobicContact CB-CG 4.2Å; W669-F788 HydrophobicContact CD2-CB 4.25Å; W669-F788 AromaticContact CD2-CD2 3.94Å; W669-F788 HydrophobicContact CD2-CD2 3.94Å; W669-F788 HydrophobicContact CE3-CD2 4.14Å; W669-F788 HydrophobicContact CG-CB 3.86Å; W669-F788 AromaticContact CG-CD2 3.67Å; W669-F788 HydrophobicContact CG-CD2 3.67Å; W669-F788 HydrophobicContact CG-CG 4.18Å; W669-Y791 HydrophobicContact CE3-CD1 4.24Å; W669-Y791 HydrophobicContact CE3-CD2 4.5Å; W669-Y791 HydrophobicContact CE3-CG 4.09Å; W669-Y791 HydrophobicContact CH2-CD2 4.04Å; W669-Y791 HydrophobicContact CH2-CG 4.06Å; W669-Y791 HydrophobicContact CZ3-CD1 4.04Å; W669-Y791 AromaticContact CZ3-CD2 3.55Å; W669-Y791 HydrophobicContact CZ3-CD2 3.55Å; W669-Y791 HydrophobicContact CZ3-CE2 4.12Å; W669-Y791 AromaticContact CZ3-CG 3.48Å; W669-Y791 HydrophobicContact CZ3-CG 3.48Å; W669-Y791 VanDerWaalsContact CZ3-CG 3.48Å; W669-L796 HydrophobicContact CH2-CD1 3.9Å; W669-C831 HydrophobicContact CH2-CB 3.82Å; W669-C831 HydrophobicContact CZ2-CB 3.82Å; W669-V834 HydrophobicContact CD2-CG1 3.95Å; W669-V834 HydrophobicContact CE3-CG1 4.14Å; W669-V834 HydrophobicContact CH2-CB 4.25Å; W669-V834 HydrophobicContact CH2-CG1 4.06Å; W669-V834 HydrophobicContact CZ2-CB 4.22Å; W669-V834 HydrophobicContact CZ2-CG1 3.87Å; W669-V834 HydrophobicContact CZ3-CG1 4.18Å; W669-I835 HydrophobicContact CZ3-CG1 4.27Å
670	T	92	Very high	91	Very high	36 Å²	36	46.9 Å²	46.9	22%	0.221	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-41.8	-179.8	-51.1	0	0	0	0	110.9	K666 S667 A672 V673 D674	K666-T670 WeakPolarHBondContact O-CB 3.19Å; K666-T670 PolarHBondContact O-N 3.36Å; K666-T670 PolarHBondContact O-OG1 2.78Å; S667-T670 PolarHBondContact O-N 3.37Å; T670-A672 VanDerWaalsContact C-N 3.32Å; T670-A672 PolarHBondContact O-N 3.47Å; T670-V673 PolarHBondContact O-N 3.18Å; T670-D674 WeakPolarHBondContact O-CB 3.47Å; T670-D674 PolarHBondContact O-N 3.44Å
671	A	91.7	Very high	91.3	Very high	37 Å²	37	49.3 Å²	49.3	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-37.9	175.4	0	0	0	0	0	112.4	S667 Q668 W669 D674 L675	S667-A671 WeakPolarHBondContact O-CB 3.14Å; S667-A671 PolarHBondContact O-N 3.26Å; Q668-A671 PolarHBondContact O-N 2.81Å; W669-A671 PolarHBondContact O-N 3.2Å; A671-D674 PolarHBondContact O-N 2.81Å; A671-L675 WeakPolarHBondContact O-CB 3.37Å; A671-L675 PolarHBondContact O-N 2.92Å
672	A	93.2	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-42.8	174.8	0	0	0	0	0	112.1	Q668 W669 T670 L675 L676 V834	Q668-A672 WeakPolarHBondContact O-CB 3.48Å; Q668-A672 PolarHBondContact O-N 3.26Å; W669-A672 PolarHBondContact O-N 3.46Å; T670-A672 VanDerWaalsContact C-N 3.32Å; T670-A672 PolarHBondContact O-N 3.47Å; A672-L675 PolarHBondContact O-N 3.46Å; A672-L676 WeakPolarHBondContact O-CB 3.49Å; A672-L676 PolarHBondContact O-N 3.01Å; A672-V834 HydrophobicContact CB-CG1 4.02Å
673	V	93.5	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.2	174.5	0	0	0	0	110.8	W669 T670 L675 L676 E677 C781 R785 V834	W669-V673 WeakPolarHBondContact O-CG2 3.42Å; W669-V673 PolarHBondContact O-N 3.06Å; T670-V673 PolarHBondContact O-N 3.18Å; V673-L675 VanDerWaalsContact C-N 3.33Å; V673-L675 PolarHBondContact O-N 3.08Å; V673-L676 PolarHBondContact O-N 3.35Å; V673-E677 VanDerWaalsContact O-CB 3.3Å; V673-E677 WeakPolarHBondContact O-CB 3.43Å; V673-E677 PolarHBondContact O-N 3.16Å; V673-C781 HydrophobicContact CG1-CB 4.28Å; V673-C781 WeakPolarHBondContact CG1-O 3.42Å; V673-R785 HydrophobicContact CG1-CB 4.22Å; V673-R785 HydrophobicContact CG1-CG 4.4Å; V673-V834 HydrophobicContact CG2-CB 4.41Å; V673-V834 HydrophobicContact CG2-CG1 3.59Å; V673-V834 HydrophobicContact CG2-CG2 3.86Å
674	D	93.4	Very high	92.3	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-39	179.2	-72.4	-33.2	0	0	0	111.2	T670 A671 Q678 R785	T670-D674 WeakPolarHBondContact O-CB 3.47Å; T670-D674 PolarHBondContact O-N 3.44Å; A671-D674 PolarHBondContact O-N 2.81Å; D674-Q678 WeakPolarHBondContact O-CB 3.15Å; D674-Q678 WeakPolarHBondContact O-CG 3.39Å; D674-Q678 PolarHBondContact O-N 3.11Å; D674-R785 IonicContact OD1-CZ 3.74Å; D674-R785 VanDerWaalsContact OD1-CZ 3.26Å; D674-R785 IonicContact OD1-NH1 3.9Å; D674-R785 PolarHBondContact OD1-NH1 3.37Å; D674-R785 VanDerWaalsContact OD1-NH1 3.17Å; D674-R785 IonicContact OD1-NH2 2.71Å; D674-R785 PolarHBondContact OD1-NH2 3.44Å; D674-R785 IonicContact OD2-NH2 2.8Å
675	L	92.2	Very high	92.7	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.12	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-43.7	176.3	-162	147	0	0	0	111.5	W552 A671 A672 V673 Q678 A679 F837 N841 M844	W552-L675 HydrophobicContact CE3-CD2 4.46Å; W552-L675 HydrophobicContact CH2-CD2 3.93Å; W552-L675 HydrophobicContact CZ3-CD2 3.86Å; A671-L675 WeakPolarHBondContact O-CB 3.37Å; A671-L675 PolarHBondContact O-N 2.92Å; A672-L675 PolarHBondContact O-N 3.46Å; V673-L675 VanDerWaalsContact C-N 3.33Å; V673-L675 PolarHBondContact O-N 3.08Å; L675-Q678 PolarHBondContact O-N 3.36Å; L675-A679 WeakPolarHBondContact O-CB 3.2Å; L675-A679 PolarHBondContact O-N 3.16Å; L675-F837 HydrophobicContact CB-CD1 4.45Å; L675-F837 HydrophobicContact CD2-CD1 3.32Å; L675-F837 HydrophobicContact CD2-CE1 3.6Å; L675-F837 HydrophobicContact CG-CD1 4.46Å; L675-N841 HydrophobicContact CD1-CB 4.13Å; L675-M844 HydrophobicContact CD1-CE 3.56Å; L675-M844 HydrophobicContact CD2-CE 4.14Å
676	L	93.8	Very high	92.7	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-48.7	174.4	176.5	63.7	0	0	0	111.3	A672 V673 Q678 A679 V680 C781 E833 V834 F837	A672-L676 WeakPolarHBondContact O-CB 3.49Å; A672-L676 PolarHBondContact O-N 3.01Å; V673-L676 PolarHBondContact O-N 3.35Å; L676-Q678 VanDerWaalsContact C-N 3.34Å; L676-Q678 PolarHBondContact O-N 3.21Å; L676-A679 PolarHBondContact O-N 3.39Å; L676-V680 HydrophobicContact CD1-CG2 3.73Å; L676-V680 HydrophobicContact CG-CG2 4.3Å; L676-V680 WeakPolarHBondContact O-CB 3.32Å; L676-V680 VanDerWaalsContact O-CG2 3.26Å; L676-V680 WeakPolarHBondContact O-CG2 3.27Å; L676-V680 PolarHBondContact O-N 3Å; L676-C781 VanDerWaalsContact CD2-SG 3.52Å; L676-C781 VanDerWaalsContact CG-SG 3.53Å; L676-E833 HydrophobicContact CD1-CB 4.33Å; L676-E833 HydrophobicContact CD2-CB 3.81Å; L676-V834 HydrophobicContact CD2-CG2 4.09Å; L676-F837 VanDerWaalsContact CA-CD1 3.42Å; L676-F837 HydrophobicContact CB-CB 4.21Å; L676-F837 HydrophobicContact CB-CD1 3.68Å; L676-F837 HydrophobicContact CB-CD2 4.33Å; L676-F837 HydrophobicContact CB-CE1 4.13Å; L676-F837 HydrophobicContact CB-CG 3.81Å; L676-F837 HydrophobicContact CD1-CD1 4.1Å; L676-F837 HydrophobicContact CD1-CD2 3.6Å; L676-F837 HydrophobicContact CD1-CE1 3.93Å; L676-F837 HydrophobicContact CD1-CE2 3.35Å; L676-F837 HydrophobicContact CD1-CG 3.96Å; L676-F837 HydrophobicContact CD1-CZ 3.53Å; L676-F837 HydrophobicContact CG-CD1 4.49Å; L676-F837 HydrophobicContact CG-CD2 4.43Å; L676-F837 HydrophobicContact CG-CG 4.39Å
677	E	94.3	Very high	92.7	Very high	30 Å²	30	44 Å²	44	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-45.4	179.7	-175.7	179.1	172.9	0	0	111.2	V673 K681 L778 C781 R785	V673-E677 VanDerWaalsContact O-CB 3.3Å; V673-E677 WeakPolarHBondContact O-CB 3.43Å; V673-E677 PolarHBondContact O-N 3.16Å; E677-K681 HydrophobicContact CG-CD 4.26Å; E677-K681 WeakPolarHBondContact O-CB 3.12Å; E677-K681 VanDerWaalsContact O-CG 3.24Å; E677-K681 WeakPolarHBondContact O-CG 3.34Å; E677-K681 PolarHBondContact O-N 3.42Å; E677-K681 VanDerWaalsContact OE1-CE 3.22Å; E677-K681 WeakPolarHBondContact OE1-CE 3.5Å; E677-K681 IonicContact OE1-NZ 3.02Å; E677-K681 PolarHBondContact OE1-NZ 3.36Å; E677-L778 HydrophobicContact CG-CD1 3.83Å; E677-C781 HydrophobicContact CB-CB 4.29Å; E677-R785 IonicContact OE2-NH1 3.79Å
678	Q	93.7	Very high	92.7	Very high	136 Å²	136	42.2 Å²	42.2	64%	0.636	22%	0.217	S	C	*	.	H	α-helix	trans	-65.2	-44.2	177.1	-72.4	173.2	39.2	0	0	112	D674 L675 L676 K681 A682	D674-Q678 WeakPolarHBondContact O-CB 3.15Å; D674-Q678 WeakPolarHBondContact O-CG 3.39Å; D674-Q678 PolarHBondContact O-N 3.11Å; L675-Q678 PolarHBondContact O-N 3.36Å; L676-Q678 VanDerWaalsContact C-N 3.34Å; L676-Q678 PolarHBondContact O-N 3.21Å; Q678-K681 PolarHBondContact O-N 2.98Å; Q678-A682 WeakPolarHBondContact O-CB 3.44Å; Q678-A682 PolarHBondContact O-N 3.47Å
679	A	93.8	Very high	92.6	Very high	4 Å²	4	45 Å²	45	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-48.4	178.5	0	0	0	0	0	111.9	W552 F560 L675 L676 A682 R683 F837	W552-A679 HydrophobicContact CH2-CB 3.65Å; W552-A679 HydrophobicContact CZ2-CB 3.35Å; F560-A679 HydrophobicContact CE2-CB 4.01Å; F560-A679 HydrophobicContact CZ-CB 3.86Å; L675-A679 WeakPolarHBondContact O-CB 3.2Å; L675-A679 PolarHBondContact O-N 3.16Å; L676-A679 PolarHBondContact O-N 3.39Å; A679-A682 PolarHBondContact O-N 3.14Å; A679-R683 PolarHBondContact O-N 2.92Å; A679-F837 HydrophobicContact CB-CE1 3.66Å; A679-F837 HydrophobicContact CB-CZ 4.11Å
680	V	93.2	Very high	92.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-43.3	179.4	171.3	0	0	0	0	110.5	F560 L676 A682 R683 L684 L774 L778	F560-V680 HydrophobicContact CE1-CG2 4.47Å; F560-V680 HydrophobicContact CZ-CG2 4.48Å; L676-V680 HydrophobicContact CD1-CG2 3.73Å; L676-V680 HydrophobicContact CG-CG2 4.3Å; L676-V680 WeakPolarHBondContact O-CB 3.32Å; L676-V680 VanDerWaalsContact O-CG2 3.26Å; L676-V680 WeakPolarHBondContact O-CG2 3.27Å; L676-V680 PolarHBondContact O-N 3Å; V680-A682 VanDerWaalsContact C-N 3.32Å; V680-A682 PolarHBondContact O-N 3.42Å; V680-R683 PolarHBondContact O-N 3.16Å; V680-L684 WeakPolarHBondContact O-CB 3.47Å; V680-L684 PolarHBondContact O-N 3.4Å; V680-L774 HydrophobicContact CG1-CB 4.15Å; V680-L774 HydrophobicContact CG1-CD2 4.09Å; V680-L774 WeakPolarHBondContact CG1-O 3.36Å; V680-L774 HydrophobicContact CG2-CD2 4.48Å; V680-L778 HydrophobicContact CG1-CB 3.98Å
681	K	94.5	Very high	92	Very high	104 Å²	104	46.9 Å²	46.9	45%	0.452	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-42.1	174.6	-77.8	177.6	-174.2	173.2	0	112.3	E677 Q678 K685 L778	E677-K681 HydrophobicContact CG-CD 4.26Å; E677-K681 WeakPolarHBondContact O-CB 3.12Å; E677-K681 VanDerWaalsContact O-CG 3.24Å; E677-K681 WeakPolarHBondContact O-CG 3.34Å; E677-K681 PolarHBondContact O-N 3.42Å; E677-K681 VanDerWaalsContact OE1-CE 3.22Å; E677-K681 WeakPolarHBondContact OE1-CE 3.5Å; E677-K681 IonicContact OE1-NZ 3.02Å; E677-K681 PolarHBondContact OE1-NZ 3.36Å; Q678-K681 PolarHBondContact O-N 2.98Å; K681-K685 WeakPolarHBondContact O-CB 3.45Å; K681-K685 PolarHBondContact O-N 3.43Å; K681-L778 HydrophobicContact CD-CD1 4.43Å; K681-L778 HydrophobicContact CG-CD1 3.82Å; K681-L778 HydrophobicContact CG-CD2 4.38Å
682	A	93.2	Very high	91.7	Very high	47 Å²	47	48.1 Å²	48.1	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-64.4	-50.2	177.5	0	0	0	0	0	111.2	Q678 A679 V680 L684 K685 D686	Q678-A682 WeakPolarHBondContact O-CB 3.44Å; Q678-A682 PolarHBondContact O-N 3.47Å; A679-A682 PolarHBondContact O-N 3.14Å; V680-A682 VanDerWaalsContact C-N 3.32Å; V680-A682 PolarHBondContact O-N 3.42Å; A682-L684 VanDerWaalsContact C-N 3.34Å; A682-L684 PolarHBondContact O-N 3.19Å; A682-K685 WeakPolarHBondContact O-CB 3.43Å; A682-K685 PolarHBondContact O-N 3.07Å; A682-K685 VanDerWaalsContact O-N 3.16Å; A682-D686 PolarHBondContact O-N 3.27Å; A682-D686 VanDerWaalsContact O-N 3.1Å
683	R	93.6	Very high	91.2	Very high	45 Å²	45	52.1 Å²	52.1	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-39.5	177.8	-173.9	61.4	169.6	-165.4	-7.9	112.2	D557 F560 E565 A679 V680 K685 D686 V687 L774	D557-R683 IonicContact OD1-NH1 3.26Å; D557-R683 PolarHBondContact OD1-NH1 3.28Å; D557-R683 VanDerWaalsContact OD1-NH1 3.17Å; F560-R683 HydrophobicContact CD1-CB 4.24Å; F560-R683 HydrophobicContact CD1-CG 3.85Å; F560-R683 HydrophobicContact CD2-CB 4.36Å; F560-R683 HydrophobicContact CD2-CG 4.37Å; F560-R683 HydrophobicContact CE1-CB 3.95Å; F560-R683 HydrophobicContact CE1-CG 4.05Å; F560-R683 HydrophobicContact CE2-CB 4.1Å; F560-R683 HydrophobicContact CG-CB 4.44Å; F560-R683 HydrophobicContact CG-CG 4.03Å; F560-R683 HydrophobicContact CZ-CB 3.89Å; F560-R683 HydrophobicContact CZ-CG 4.41Å; E565-R683 IonicContact OE1-CZ 3.46Å; E565-R683 IonicContact OE1-NE 2.96Å; E565-R683 PolarHBondContact OE1-NE 3.02Å; E565-R683 IonicContact OE1-NH2 3.54Å; E565-R683 PolarHBondContact OE1-NH2 3.26Å; A679-R683 PolarHBondContact O-N 2.92Å; V680-R683 PolarHBondContact O-N 3.16Å; R683-K685 VanDerWaalsContact C-N 3.29Å; R683-K685 PolarHBondContact O-N 3.44Å; R683-D686 PolarHBondContact O-N 2.69Å; R683-V687 HydrophobicContact CG-CG2 4.43Å; R683-V687 WeakPolarHBondContact O-CG2 3.35Å; R683-V687 PolarHBondContact O-N 2.87Å; R683-L774 HydrophobicContact CB-CD1 4.39Å; R683-L774 HydrophobicContact CB-CD2 4.37Å; R683-L774 HydrophobicContact CG-CD1 3.87Å; R683-L774 HydrophobicContact CG-CD2 4.19Å
684	L	92.8	Very high	90.6	Very high	20 Å²	20	54.2 Å²	54.2	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-37.1	175.7	-177.6	64.8	0	0	0	111.5	V680 A682 N688 R771 L774 E775 L778	V680-L684 WeakPolarHBondContact O-CB 3.47Å; V680-L684 PolarHBondContact O-N 3.4Å; A682-L684 VanDerWaalsContact C-N 3.34Å; A682-L684 PolarHBondContact O-N 3.19Å; L684-N688 WeakPolarHBondContact O-CB 3.47Å; L684-N688 PolarHBondContact O-N 2.87Å; L684-N688 PolarHBondContact O-ND2 3.18Å; L684-N688 VanDerWaalsContact O-ND2 3.07Å; L684-R771 HydrophobicContact CD1-CB 4.49Å; L684-R771 HydrophobicContact CD1-CG 3.82Å; L684-L774 HydrophobicContact CB-CB 4.44Å; L684-L774 HydrophobicContact CB-CD1 4.44Å; L684-L774 HydrophobicContact CD1-CB 4.05Å; L684-L774 HydrophobicContact CD1-CD1 4.47Å; L684-E775 HydrophobicContact CD1-CG 4.12Å; L684-E775 HydrophobicContact CD2-CG 4.21Å; L684-L778 HydrophobicContact CD2-CD2 4.35Å
685	K	93	Very high	90.1	Very high	147 Å²	147	52.6 Å²	52.6	64%	0.639	28%	0.28	S	S	*	.	H	α-helix	trans	-63.3	-44.9	173.1	-175.8	-175.3	174.8	-173	0	111.3	K681 A682 R683 N688 Q689	K681-K685 WeakPolarHBondContact O-CB 3.45Å; K681-K685 PolarHBondContact O-N 3.43Å; A682-K685 WeakPolarHBondContact O-CB 3.43Å; A682-K685 PolarHBondContact O-N 3.07Å; A682-K685 VanDerWaalsContact O-N 3.16Å; R683-K685 VanDerWaalsContact C-N 3.29Å; R683-K685 PolarHBondContact O-N 3.44Å; K685-N688 PolarHBondContact O-N 2.8Å; K685-Q689 WeakPolarHBondContact O-CB 3.09Å; K685-Q689 PolarHBondContact O-N 3.1Å
686	D	91	Very high	89.5	Confident	76 Å²	76	51.9 Å²	51.9	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-44.6	178.7	-62.9	-19.6	0	0	0	111.4	A682 R683 Q689 S690	A682-D686 PolarHBondContact O-N 3.27Å; A682-D686 VanDerWaalsContact O-N 3.1Å; R683-D686 PolarHBondContact O-N 2.69Å; D686-Q689 WeakPolarHBondContact O-CB 3.44Å; D686-Q689 PolarHBondContact O-N 3.43Å; D686-S690 PolarHBondContact O-N 3.44Å
687	V	90	Very high	88.6	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-44.9	175.3	172.2	0	0	0	0	110.8	R683 Q689 S690 I691 R771 L774	R683-V687 HydrophobicContact CG-CG2 4.43Å; R683-V687 WeakPolarHBondContact O-CG2 3.35Å; R683-V687 PolarHBondContact O-N 2.87Å; V687-Q689 VanDerWaalsContact C-N 3.28Å; V687-Q689 PolarHBondContact O-N 3.03Å; V687-S690 WeakPolarHBondContact O-CB 3.39Å; V687-S690 PolarHBondContact O-N 3Å; V687-S690 VanDerWaalsContact O-N 3.15Å; V687-I691 HydrophobicContact CG1-CD1 3.83Å; V687-I691 HydrophobicContact CG1-CG1 4.39Å; V687-I691 VanDerWaalsContact O-CG1 3.29Å; V687-I691 WeakPolarHBondContact O-CG1 3.22Å; V687-I691 PolarHBondContact O-N 3.38Å; V687-R771 HydrophobicContact CG1-CB 4.11Å; V687-L774 HydrophobicContact CB-CD1 4.48Å; V687-L774 HydrophobicContact CG2-CD1 3.94Å
688	N	90.6	Very high	87.6	Confident	54 Å²	54	52.6 Å²	52.6	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-33.3	175.8	-79.4	-34.8	0	0	0	112.7	L684 K685 T692 R771	L684-N688 WeakPolarHBondContact O-CB 3.47Å; L684-N688 PolarHBondContact O-N 2.87Å; L684-N688 PolarHBondContact O-ND2 3.18Å; L684-N688 VanDerWaalsContact O-ND2 3.07Å; K685-N688 PolarHBondContact O-N 2.8Å; N688-T692 WeakPolarHBondContact O-CB 3.27Å; N688-T692 PolarHBondContact O-N 3.43Å; N688-T692 PolarHBondContact O-OG1 2.97Å; N688-R771 WeakPolarHBondContact OD1-CD 3.36Å
689	Q	87.8	Confident	86.5	Confident	128 Å²	128	54.8 Å²	54.8	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-69	-40.4	173.4	-174.8	173.1	-7	0	0	111.5	K685 D686 V687 I691 T692 S693	K685-Q689 WeakPolarHBondContact O-CB 3.09Å; K685-Q689 PolarHBondContact O-N 3.1Å; D686-Q689 WeakPolarHBondContact O-CB 3.44Å; D686-Q689 PolarHBondContact O-N 3.43Å; V687-Q689 VanDerWaalsContact C-N 3.28Å; V687-Q689 PolarHBondContact O-N 3.03Å; Q689-I691 VanDerWaalsContact C-N 3.35Å; Q689-T692 PolarHBondContact O-N 3.43Å; Q689-S693 PolarHBondContact O-N 3.4Å; Q689-S693 PolarHBondContact O-OG 2.83Å
690	S	86.8	Confident	85.4	Confident	58 Å²	58	59 Å²	59	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-38.5	173.1	-174.1	0	0	0	0	112.5	D686 V687 S693 S694	D686-S690 PolarHBondContact O-N 3.44Å; V687-S690 WeakPolarHBondContact O-CB 3.39Å; V687-S690 PolarHBondContact O-N 3Å; V687-S690 VanDerWaalsContact O-N 3.15Å; S690-S693 PolarHBondContact O-OG 2.85Å; S690-S694 WeakPolarHBondContact O-CB 3.34Å; S690-S694 PolarHBondContact O-N 3.37Å; S690-S694 PolarHBondContact O-OG 2.79Å
691	I	86.4	Confident	84.3	Confident	17 Å²	17	61.9 Å²	61.9	9%	0.087	33%	0.332	C	S	.	.	H	α-helix	trans	-66	-46.2	170.9	-67.9	168	0	0	0	109.4	V687 Q689 S693 S694 F695 P767 L768 R771	V687-I691 HydrophobicContact CG1-CD1 3.83Å; V687-I691 HydrophobicContact CG1-CG1 4.39Å; V687-I691 VanDerWaalsContact O-CG1 3.29Å; V687-I691 WeakPolarHBondContact O-CG1 3.22Å; V687-I691 PolarHBondContact O-N 3.38Å; Q689-I691 VanDerWaalsContact C-N 3.35Å; I691-S693 VanDerWaalsContact C-N 3.3Å; I691-S693 PolarHBondContact O-N 3.32Å; I691-S694 PolarHBondContact O-N 3.01Å; I691-F695 HydrophobicContact CB-CD2 4.1Å; I691-F695 HydrophobicContact CB-CE2 4.05Å; I691-F695 HydrophobicContact CG1-CE2 4.07Å; I691-F695 HydrophobicContact CG2-CD2 3.58Å; I691-F695 HydrophobicContact CG2-CE2 3.69Å; I691-F695 HydrophobicContact CG2-CG 4.06Å; I691-F695 HydrophobicContact CG2-CZ 4.32Å; I691-F695 VanDerWaalsContact O-CB 3.3Å; I691-F695 WeakPolarHBondContact O-CB 3.42Å; I691-F695 WeakPolarHBondContact O-CD2 3.44Å; I691-F695 PolarHBondContact O-N 2.94Å; I691-P767 HydrophobicContact CD1-CB 4.38Å; I691-P767 HydrophobicContact CG1-CB 3.94Å; I691-L768 HydrophobicContact CD1-CD2 4.29Å; I691-R771 HydrophobicContact CD1-CB 4.13Å
692	T	84.1	Confident	83.2	Confident	63 Å²	63	59.4 Å²	59.4	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-38.1	-179.2	-55.8	0	0	0	0	111.9	N688 Q689 G696	N688-T692 WeakPolarHBondContact O-CB 3.27Å; N688-T692 PolarHBondContact O-N 3.43Å; N688-T692 PolarHBondContact O-OG1 2.97Å; Q689-T692 PolarHBondContact O-N 3.43Å; T692-G696 CarbonylContact O-C 3.55Å; T692-G696 WeakPolarHBondContact O-CA 3.34Å; T692-G696 PolarHBondContact O-N 3.29Å; T692-G696 VanDerWaalsContact O-N 3.07Å
693	S	83.4	Confident	81.8	Confident	83 Å²	83	65 Å²	65	58%	0.58	33%	0.333	S	S	*	.	H	α-helix	trans	-68.1	-39.1	175.9	62.8	0	0	0	0	112.6	Q689 S690 I691	Q689-S693 PolarHBondContact O-N 3.4Å; Q689-S693 PolarHBondContact O-OG 2.83Å; S690-S693 PolarHBondContact O-OG 2.85Å; I691-S693 VanDerWaalsContact C-N 3.3Å; I691-S693 PolarHBondContact O-N 3.32Å
694	S	82.1	Confident	80.6	Confident	44 Å²	44	66.5 Å²	66.5	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-80.3	-31.6	-175.7	-55.4	0	0	0	0	113.7	S690 I691 R716	S690-S694 WeakPolarHBondContact O-CB 3.34Å; S690-S694 PolarHBondContact O-N 3.37Å; S690-S694 PolarHBondContact O-OG 2.79Å; I691-S694 PolarHBondContact O-N 3.01Å; S694-R716 VanDerWaalsContact O-CD 3.29Å; S694-R716 WeakPolarHBondContact O-CD 3.22Å; S694-R716 PolarHBondContact O-NH1 3.49Å
695	F	82.4	Confident	79.6	Confident	11 Å²	11	72.7 Å²	72.7	5%	0.048	37%	0.37	C	S	.	.	H	α-helix	trans	-100.4	-9.2	-175.2	-61.6	-113	0	0	0	112.3	I691 Q713 R716 A720 T764 L768	I691-F695 HydrophobicContact CB-CD2 4.1Å; I691-F695 HydrophobicContact CB-CE2 4.05Å; I691-F695 HydrophobicContact CG1-CE2 4.07Å; I691-F695 HydrophobicContact CG2-CD2 3.58Å; I691-F695 HydrophobicContact CG2-CE2 3.69Å; I691-F695 HydrophobicContact CG2-CG 4.06Å; I691-F695 HydrophobicContact CG2-CZ 4.32Å; I691-F695 VanDerWaalsContact O-CB 3.3Å; I691-F695 WeakPolarHBondContact O-CB 3.42Å; I691-F695 WeakPolarHBondContact O-CD2 3.44Å; I691-F695 PolarHBondContact O-N 2.94Å; F695-Q713 WeakPolarHBondContact O-CB 3.37Å; F695-R716 HydrophobicContact CD1-CB 3.91Å; F695-R716 WeakPolarHBondContact CD1-O 3.35Å; F695-R716 HydrophobicContact CE1-CB 4.33Å; F695-R716 WeakPolarHBondContact CE1-O 3.38Å; F695-R716 HydrophobicContact CG-CB 4.37Å; F695-A720 HydrophobicContact CD1-CB 3.76Å; F695-A720 HydrophobicContact CE1-CB 3.38Å; F695-A720 HydrophobicContact CZ-CB 4.41Å; F695-T764 HydrophobicContact CE1-CG2 3.69Å; F695-T764 HydrophobicContact CZ-CG2 3.75Å; F695-L768 HydrophobicContact CZ-CD1 4.39Å; F695-L768 HydrophobicContact CZ-CD2 4.46Å; F695-L768 HydrophobicContact CZ-CG 4.33Å
696	G	78.5	Confident	78.6	Confident	9 Å²	9	77 Å²	77	9%	0.093	38%	0.382	C	S	.	.			trans	89.4	173.9	174.5	0	0	0	0	0	114.8	T692 Q713	T692-G696 CarbonylContact O-C 3.55Å; T692-G696 WeakPolarHBondContact O-CA 3.34Å; T692-G696 PolarHBondContact O-N 3.29Å; T692-G696 VanDerWaalsContact O-N 3.07Å; G696-Q713 VanDerWaalsContact CA-CD 3.49Å
697	P	76.3	Confident	77.8	Confident	17 Å²	17	81 Å²	81	11%	0.11	39%	0.391	C	S	.	.			trans	-61.9	138.7	-169.6	23.4	-33.8	0	0	0	112.5	E701 Q702 R707 R709	P697-E701 WeakPolarHBondContact CA-OE2 3.49Å; P697-E701 HydrophobicContact CB-CB 3.78Å; P697-Q702 HydrophobicContact CB-CG 4.1Å; P697-Q702 HydrophobicContact CG-CG 3.96Å; P697-R707 HydrophobicContact CG-CB 4.15Å; P697-R709 HydrophobicContact CG-CG 4.2Å; P697-R709 VanDerWaalsContact O-CZ 3.24Å; P697-R709 PolarHBondContact O-NE 3.3Å; P697-R709 PolarHBondContact O-NH2 2.83Å
698	G	72.6	Confident	77.2	Confident	31 Å²	31	90 Å²	90	32%	0.32	43%	0.43	S	S	.	.			trans	-64.6	166.1	172.2	0	0	0	0	0	112.3	V700 E701 Q702	G698-V700 PolarHBondContact O-N 2.91Å; G698-E701 PolarHBondContact O-N 3.3Å; G698-Q702 WeakPolarHBondContact O-CG 3.38Å; G698-Q702 PolarHBondContact O-N 3.14Å
699	W	70.8	Confident	76.7	Confident	182 Å²	182	90.6 Å²	90.6	69%	0.689	43%	0.428	S	S	*	.	H	α-helix	trans	-54.7	-40.5	179.7	174.9	79.2	0	0	0	112.7	Q702 W703	W699-Q702 PolarHBondContact O-N 2.96Å; W699-W703 WeakPolarHBondContact O-CB 3.04Å; W699-W703 PolarHBondContact O-N 3.44Å
700	V	69.9	Low	76.6	Confident	91 Å²	91	88 Å²	88	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-64.7	-40.9	176.6	-179.4	0	0	0	0	111.5	G698 W703 T704	G698-V700 PolarHBondContact O-N 2.91Å; V700-W703 PolarHBondContact O-N 2.97Å; V700-T704 HydrophobicContact CG1-CG2 4.11Å; V700-T704 WeakPolarHBondContact O-CB 3.48Å; V700-T704 VanDerWaalsContact O-CG2 3.3Å; V700-T704 WeakPolarHBondContact O-CG2 3.2Å; V700-T704 PolarHBondContact O-N 3.48Å; V700-T704 PolarHBondContact O-OG1 3.17Å
701	E	71.4	Confident	76.3	Confident	64 Å²	64	89.5 Å²	89.5	30%	0.299	44%	0.437	S	S	.	.	H	α-helix	trans	-71.3	-37.3	177.9	-69.3	-167.3	135.2	0	0	112.5	P697 G698 W703 T704 R705	P697-E701 WeakPolarHBondContact CA-OE2 3.49Å; P697-E701 HydrophobicContact CB-CB 3.78Å; G698-E701 PolarHBondContact O-N 3.3Å; E701-W703 VanDerWaalsContact C-N 3.26Å; E701-W703 PolarHBondContact O-N 3.29Å; E701-T704 WeakPolarHBondContact CA-OG1 3.35Å; E701-R705 WeakPolarHBondContact O-CA 3.37Å; E701-R705 WeakPolarHBondContact O-CB 3.48Å; E701-R705 PolarHBondContact O-N 2.82Å; E701-R705 IonicContact OE1-NH1 3.27Å; E701-R705 PolarHBondContact OE1-NH1 2.93Å
702	Q	70.5	Confident	76.1	Confident	51 Å²	51	93.3 Å²	93.3	24%	0.238	45%	0.454	C	S	.	.	H	α-helix	trans	-59.6	-41.6	172.3	-68.7	-179.6	-22	0	0	111	P697 G698 W699 W706 R707 R709	P697-Q702 HydrophobicContact CB-CG 4.1Å; P697-Q702 HydrophobicContact CG-CG 3.96Å; G698-Q702 WeakPolarHBondContact O-CG 3.38Å; G698-Q702 PolarHBondContact O-N 3.14Å; W699-Q702 PolarHBondContact O-N 2.96Å; Q702-W706 WeakPolarHBondContact O-CA 3.34Å; Q702-W706 PolarHBondContact O-N 2.92Å; Q702-W706 VanDerWaalsContact O-N 3.12Å; Q702-R707 WeakPolarHBondContact CA-O 3.34Å; Q702-R707 WeakPolarHBondContact CB-O 3.45Å; Q702-R707 WeakPolarHBondContact CG-O 3.3Å; Q702-R707 PolarHBondContact O-N 2.87Å; Q702-R709 VanDerWaalsContact NE2-CD 3.34Å; Q702-R709 VanDerWaalsContact NE2-CG 3.32Å; Q702-R709 VanDerWaalsContact NE2-CZ 3.29Å
703	W	62.9	Low	76.2	Confident	165 Å²	165	92.2 Å²	92.2	63%	0.625	45%	0.445	S	S	*	.	H	α-helix	trans	-75.7	-43	-179.4	-168.7	76.5	0	0	0	113	W699 V700 E701	W699-W703 WeakPolarHBondContact O-CB 3.04Å; W699-W703 PolarHBondContact O-N 3.44Å; V700-W703 PolarHBondContact O-N 2.97Å; E701-W703 VanDerWaalsContact C-N 3.26Å; E701-W703 PolarHBondContact O-N 3.29Å
704	T	69.7	Low	76.2	Confident	77 Å²	77	91.4 Å²	91.4	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-78.5	-38.5	-177.8	52.8	0	0	0	0	113.3	V700 E701	V700-T704 HydrophobicContact CG1-CG2 4.11Å; V700-T704 WeakPolarHBondContact O-CB 3.48Å; V700-T704 VanDerWaalsContact O-CG2 3.3Å; V700-T704 WeakPolarHBondContact O-CG2 3.2Å; V700-T704 PolarHBondContact O-N 3.48Å; V700-T704 PolarHBondContact O-OG1 3.17Å; E701-T704 WeakPolarHBondContact CA-OG1 3.35Å
705	R	70.6	Confident	76.3	Confident	150 Å²	150	89.5 Å²	89.5	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-103.3	5.7	-177.7	-63.3	-179.8	169.6	162.7	-5	113.9	E701 R707	E701-R705 WeakPolarHBondContact O-CA 3.37Å; E701-R705 WeakPolarHBondContact O-CB 3.48Å; E701-R705 PolarHBondContact O-N 2.82Å; E701-R705 IonicContact OE1-NH1 3.27Å; E701-R705 PolarHBondContact OE1-NH1 2.93Å; R705-R707 HydrophobicContact CB-CG 4.15Å; R705-R707 PolarHBondContact O-N 3.25Å; R705-R707 VanDerWaalsContact O-N 3.15Å
706	W	73	Confident	76.5	Confident	236 Å²	236	90.8 Å²	90.8	89%	0.894	43%	0.426	S	S	*	.			trans	52.8	33.5	-179.4	-58.7	87.6	0	0	0	114.3	Q702	Q702-W706 WeakPolarHBondContact O-CA 3.34Å; Q702-W706 PolarHBondContact O-N 2.92Å; Q702-W706 VanDerWaalsContact O-N 3.12Å
707	R	74.2	Confident	76.9	Confident	160 Å²	160	92.5 Å²	92.5	60%	0.604	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-93.7	136.1	180	-67.2	-172.1	177.2	-160.8	-1.8	111.1	P697 Q702 R705	P697-R707 HydrophobicContact CG-CB 4.15Å; Q702-R707 WeakPolarHBondContact CA-O 3.34Å; Q702-R707 WeakPolarHBondContact CB-O 3.45Å; Q702-R707 WeakPolarHBondContact CG-O 3.3Å; Q702-R707 PolarHBondContact O-N 2.87Å; R705-R707 HydrophobicContact CB-CG 4.15Å; R705-R707 PolarHBondContact O-N 3.25Å; R705-R707 VanDerWaalsContact O-N 3.15Å
708	K	76.4	Confident	77.3	Confident	198 Å²	198	94.5 Å²	94.5	86%	0.861	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-95.2	146.3	169	-67.9	-175	178.3	-179.5	0	110.1
709	R	81.3	Confident	78	Confident	67 Å²	67	93 Å²	93	25%	0.253	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-73.9	148.2	170.3	-82.4	172.4	-157.8	149.6	1.8	110.5	P697 Q702 Q713	P697-R709 HydrophobicContact CG-CG 4.2Å; P697-R709 VanDerWaalsContact O-CZ 3.24Å; P697-R709 PolarHBondContact O-NE 3.3Å; P697-R709 PolarHBondContact O-NH2 2.83Å; Q702-R709 VanDerWaalsContact NE2-CD 3.34Å; Q702-R709 VanDerWaalsContact NE2-CG 3.32Å; Q702-R709 VanDerWaalsContact NE2-CZ 3.29Å; R709-Q713 HydrophobicContact CB-CB 4.24Å; R709-Q713 HydrophobicContact CG-CB 4.33Å
710	T	84.4	Confident	78.8	Confident	75 Å²	75	84.5 Å²	84.5	46%	0.46	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.3	161.5	167.7	63.9	0	0	0	0	110.6	E712 Q713 D714	T710-E712 VanDerWaalsContact C-N 3.28Å; T710-E712 PolarHBondContact O-N 2.95Å; T710-Q713 PolarHBondContact O-N 3.49Å; T710-Q713 WeakPolarHBondContact OG1-CB 3.48Å; T710-Q713 WeakPolarHBondContact OG1-CG 3.24Å; T710-Q713 PolarHBondContact OG1-N 3.25Å; T710-Q713 PolarHBondContact OG1-OE1 2.99Å; T710-D714 PolarHBondContact O-N 3.28Å
711	A	81.2	Confident	79.6	Confident	89 Å²	89	84.8 Å²	84.8	74%	0.736	39%	0.389	S	S	*	.	H	α-helix	trans	-60.1	-38.6	177.4	0	0	0	0	0	112.3	D714 A715	A711-D714 PolarHBondContact O-N 2.89Å; A711-A715 WeakPolarHBondContact O-CB 3.19Å; A711-A715 PolarHBondContact O-N 3.07Å
712	E	82.9	Confident	80.3	Confident	96 Å²	96	82.4 Å²	82.4	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-40.9	175.2	-172.9	-174.7	166.7	0	0	112.2	T710 A715 R716	T710-E712 VanDerWaalsContact C-N 3.28Å; T710-E712 PolarHBondContact O-N 2.95Å; E712-A715 PolarHBondContact O-N 2.87Å; E712-R716 PolarHBondContact O-N 3.41Å; E712-R716 IonicContact OE1-CZ 3.1Å; E712-R716 IonicContact OE1-NH1 3.86Å; E712-R716 PolarHBondContact OE1-NH1 3.41Å; E712-R716 IonicContact OE1-NH2 2.98Å; E712-R716 PolarHBondContact OE1-NH2 2.94Å
713	Q	85.2	Confident	81.1	Confident	41 Å²	41	80 Å²	80	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-64.5	-41.5	176.3	-79.3	172.7	-13.9	0	0	112	F695 G696 R709 T710 R716 L717	F695-Q713 WeakPolarHBondContact O-CB 3.37Å; G696-Q713 VanDerWaalsContact CA-CD 3.49Å; R709-Q713 HydrophobicContact CB-CB 4.24Å; R709-Q713 HydrophobicContact CG-CB 4.33Å; T710-Q713 PolarHBondContact O-N 3.49Å; T710-Q713 WeakPolarHBondContact OG1-CB 3.48Å; T710-Q713 WeakPolarHBondContact OG1-CG 3.24Å; T710-Q713 PolarHBondContact OG1-N 3.25Å; T710-Q713 PolarHBondContact OG1-OE1 2.99Å; Q713-R716 PolarHBondContact O-N 2.99Å; Q713-L717 PolarHBondContact O-N 3Å
714	D	84.1	Confident	82.3	Confident	65 Å²	65	74.9 Å²	74.9	35%	0.348	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-42.7	176	-162.2	66.7	0	0	0	111.5	T710 A711 R716 L717 Q718	T710-D714 PolarHBondContact O-N 3.28Å; A711-D714 PolarHBondContact O-N 2.89Å; D714-R716 PolarHBondContact O-N 3Å; D714-L717 PolarHBondContact O-N 3.17Å; D714-Q718 WeakPolarHBondContact O-CG 3.3Å; D714-Q718 PolarHBondContact O-N 3.43Å; D714-Q718 PolarHBondContact OD2-NE2 3.47Å
715	A	84.8	Confident	83	Confident	4 Å²	4	75.8 Å²	75.8	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-58	-47.5	172.8	0	0	0	0	0	111.6	A711 E712 L717 Q718 T719 V754 V756	A711-A715 WeakPolarHBondContact O-CB 3.19Å; A711-A715 PolarHBondContact O-N 3.07Å; E712-A715 PolarHBondContact O-N 2.87Å; A715-L717 VanDerWaalsContact C-N 3.34Å; A715-L717 PolarHBondContact O-N 2.88Å; A715-Q718 PolarHBondContact O-N 3.01Å; A715-T719 PolarHBondContact O-N 3.09Å; A715-T719 PolarHBondContact O-OG1 3.4Å; A715-V754 HydrophobicContact CB-CG1 4.09Å; A715-V756 HydrophobicContact CB-CG2 4.44Å
716	R	86.8	Confident	83.7	Confident	38 Å²	38	70.1 Å²	70.1	14%	0.143	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-41.7	175.5	-81.4	-172.6	178	132.5	9.9	112.7	S694 F695 E712 Q713 D714 T719 A720 I760 E763 T764	S694-R716 VanDerWaalsContact O-CD 3.29Å; S694-R716 WeakPolarHBondContact O-CD 3.22Å; S694-R716 PolarHBondContact O-NH1 3.49Å; F695-R716 HydrophobicContact CD1-CB 3.91Å; F695-R716 WeakPolarHBondContact CD1-O 3.35Å; F695-R716 HydrophobicContact CE1-CB 4.33Å; F695-R716 WeakPolarHBondContact CE1-O 3.38Å; F695-R716 HydrophobicContact CG-CB 4.37Å; E712-R716 PolarHBondContact O-N 3.41Å; E712-R716 IonicContact OE1-CZ 3.1Å; E712-R716 IonicContact OE1-NH1 3.86Å; E712-R716 PolarHBondContact OE1-NH1 3.41Å; E712-R716 IonicContact OE1-NH2 2.98Å; E712-R716 PolarHBondContact OE1-NH2 2.94Å; Q713-R716 PolarHBondContact O-N 2.99Å; D714-R716 PolarHBondContact O-N 3Å; R716-T719 WeakPolarHBondContact O-CB 3.25Å; R716-T719 PolarHBondContact O-N 3Å; R716-A720 WeakPolarHBondContact O-CB 3.42Å; R716-A720 PolarHBondContact O-N 3.05Å; R716-I760 HydrophobicContact CG-CG2 3.59Å; R716-E763 IonicContact NH2-OE2 3.25Å; R716-E763 PolarHBondContact NH2-OE2 3.42Å; R716-E763 VanDerWaalsContact NH2-OE2 3.15Å; R716-T764 HydrophobicContact CB-CG2 4.04Å; R716-T764 HydrophobicContact CG-CG2 3.73Å
717	L	85.7	Confident	84.2	Confident	46 Å²	46	59.1 Å²	59.1	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-42.5	178.3	-178.3	67.1	0	0	0	112	Q713 D714 A715 A720 Q721	Q713-L717 PolarHBondContact O-N 3Å; D714-L717 PolarHBondContact O-N 3.17Å; A715-L717 VanDerWaalsContact C-N 3.34Å; A715-L717 PolarHBondContact O-N 2.88Å; L717-A720 VanDerWaalsContact O-CB 3.27Å; L717-A720 WeakPolarHBondContact O-CB 3.35Å; L717-A720 PolarHBondContact O-N 2.68Å; L717-Q721 WeakPolarHBondContact O-CG 3.34Å; L717-Q721 PolarHBondContact O-N 3.46Å
718	Q	85.5	Confident	84.6	Confident	58 Å²	58	57.8 Å²	57.8	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-40	176.6	-65.4	-174.5	46.4	0	0	111.3	D714 A715 A720 Q721 E722 V754	D714-Q718 WeakPolarHBondContact O-CG 3.3Å; D714-Q718 PolarHBondContact O-N 3.43Å; D714-Q718 PolarHBondContact OD2-NE2 3.47Å; A715-Q718 PolarHBondContact O-N 3.01Å; Q718-A720 VanDerWaalsContact C-N 3.32Å; Q718-A720 PolarHBondContact O-N 3.4Å; Q718-Q721 PolarHBondContact O-N 2.97Å; Q718-E722 PolarHBondContact O-N 3.37Å; Q718-V754 HydrophobicContact CB-CG1 4.25Å; Q718-V754 HydrophobicContact CB-CG2 4.4Å
719	T	86.8	Confident	84.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-42.3	169.6	-55.8	0	0	0	0	111.5	A715 R716 Q721 E722 I723 I745 L749 V761 T764	A715-T719 PolarHBondContact O-N 3.09Å; A715-T719 PolarHBondContact O-OG1 3.4Å; R716-T719 WeakPolarHBondContact O-CB 3.25Å; R716-T719 PolarHBondContact O-N 3Å; T719-Q721 PolarHBondContact O-N 3.28Å; T719-E722 PolarHBondContact O-N 2.67Å; T719-I723 HydrophobicContact CG2-CD1 3.74Å; T719-I723 HydrophobicContact CG2-CG1 4.34Å; T719-I723 WeakPolarHBondContact O-CG1 3.32Å; T719-I723 PolarHBondContact O-N 3.44Å; T719-I745 HydrophobicContact CG2-CG2 4.4Å; T719-L749 HydrophobicContact CG2-CD1 3.89Å; T719-L749 WeakPolarHBondContact OG1-CD1 3.37Å; T719-V761 HydrophobicContact CG2-CG2 4.19Å; T719-T764 WeakPolarHBondContact CG2-OG1 3.31Å
720	A	87.3	Confident	84.6	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-47.1	178.3	0	0	0	0	0	112.4	F695 R716 L717 Q718 E722 I723 E724 L768	F695-A720 HydrophobicContact CD1-CB 3.76Å; F695-A720 HydrophobicContact CE1-CB 3.38Å; F695-A720 HydrophobicContact CZ-CB 4.41Å; R716-A720 WeakPolarHBondContact O-CB 3.42Å; R716-A720 PolarHBondContact O-N 3.05Å; L717-A720 VanDerWaalsContact O-CB 3.27Å; L717-A720 WeakPolarHBondContact O-CB 3.35Å; L717-A720 PolarHBondContact O-N 2.68Å; Q718-A720 VanDerWaalsContact C-N 3.32Å; Q718-A720 PolarHBondContact O-N 3.4Å; A720-E722 VanDerWaalsContact C-N 3.29Å; A720-E722 PolarHBondContact O-N 3.42Å; A720-I723 PolarHBondContact O-N 2.92Å; A720-E724 WeakPolarHBondContact O-CB 3.48Å; A720-E724 WeakPolarHBondContact O-CG 3.39Å; A720-E724 PolarHBondContact O-N 2.75Å; A720-L768 HydrophobicContact CB-CD1 3.92Å
721	Q	85.9	Confident	84	Confident	96 Å²	96	53.6 Å²	53.6	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-39.3	-179.7	-71.1	173.7	-6.6	0	0	111.7	L717 Q718 T719 N725	L717-Q721 WeakPolarHBondContact O-CG 3.34Å; L717-Q721 PolarHBondContact O-N 3.46Å; Q718-Q721 PolarHBondContact O-N 2.97Å; T719-Q721 PolarHBondContact O-N 3.28Å; Q721-N725 PolarHBondContact O-N 3.3Å; Q721-N725 VanDerWaalsContact O-N 3.11Å; Q721-N725 PolarHBondContact O-ND2 3.42Å; Q721-N725 VanDerWaalsContact O-ND2 3.13Å
722	E	86.6	Confident	83.5	Confident	14 Å²	14	53 Å²	53	7%	0.065	28%	0.278	C	S	.	.	H	α-helix	trans	-70.2	-41.1	177.6	-163.2	62.2	-158.7	0	0	111.7	Q718 T719 A720 N725 L726 N748 L749 R752	Q718-E722 PolarHBondContact O-N 3.37Å; T719-E722 PolarHBondContact O-N 2.67Å; A720-E722 VanDerWaalsContact C-N 3.29Å; A720-E722 PolarHBondContact O-N 3.42Å; E722-N725 PolarHBondContact O-N 2.88Å; E722-L726 WeakPolarHBondContact O-CG 3.44Å; E722-L726 PolarHBondContact O-N 2.85Å; E722-L726 VanDerWaalsContact O-N 3.13Å; E722-N748 HydrophobicContact CG-CB 4.06Å; E722-N748 WeakPolarHBondContact OE1-CB 3.32Å; E722-N748 PolarHBondContact OE1-ND2 3.33Å; E722-L749 HydrophobicContact CB-CD2 4.3Å; E722-R752 IonicContact OE2-CZ 3.73Å; E722-R752 VanDerWaalsContact OE2-CZ 3.29Å; E722-R752 IonicContact OE2-NH1 3.6Å; E722-R752 PolarHBondContact OE2-NH1 2.96Å; E722-R752 IonicContact OE2-NH2 2.64Å; E722-R752 PolarHBondContact OE2-NH2 3.46Å
723	I	88	Confident	83.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-49.2	173.9	-68.9	170.9	0	0	0	110.4	T719 A720 N725 L726 L727 I745 T764 W765 L768	T719-I723 HydrophobicContact CG2-CD1 3.74Å; T719-I723 HydrophobicContact CG2-CG1 4.34Å; T719-I723 WeakPolarHBondContact O-CG1 3.32Å; T719-I723 PolarHBondContact O-N 3.44Å; A720-I723 PolarHBondContact O-N 2.92Å; I723-N725 VanDerWaalsContact C-N 3.28Å; I723-N725 PolarHBondContact O-N 2.99Å; I723-L726 WeakPolarHBondContact O-CB 3.35Å; I723-L726 PolarHBondContact O-N 3.32Å; I723-L727 HydrophobicContact CG2-CD1 3.79Å; I723-L727 HydrophobicContact CG2-CG 3.97Å; I723-L727 VanDerWaalsContact O-CG 3.3Å; I723-L727 WeakPolarHBondContact O-CG 3.33Å; I723-L727 PolarHBondContact O-N 3.12Å; I723-I745 HydrophobicContact CG1-CD1 3.78Å; I723-I745 HydrophobicContact CG1-CG1 4.43Å; I723-I745 HydrophobicContact CG1-CG2 4.48Å; I723-T764 WeakPolarHBondContact CD1-OG1 3.37Å; I723-W765 HydrophobicContact CD1-CE3 4.28Å; I723-W765 HydrophobicContact CG1-CE3 4.16Å; I723-W765 HydrophobicContact CG2-CE3 3.7Å; I723-W765 HydrophobicContact CG2-CZ3 3.93Å; I723-L768 HydrophobicContact CB-CD1 3.77Å; I723-L768 HydrophobicContact CD1-CD1 4.01Å; I723-L768 HydrophobicContact CG1-CD1 4.5Å; I723-L768 HydrophobicContact CG2-CB 4.07Å; I723-L768 HydrophobicContact CG2-CD1 3.64Å
724	E	87	Confident	83.1	Confident	59 Å²	59	48.4 Å²	48.4	28%	0.276	26%	0.26	S	S	.	.	H	α-helix	trans	-56.5	-41.9	178.6	-76.5	-178.4	171.5	0	0	112	A720 L726 L727 I728 L768 R771	A720-E724 WeakPolarHBondContact O-CB 3.48Å; A720-E724 WeakPolarHBondContact O-CG 3.39Å; A720-E724 PolarHBondContact O-N 2.75Å; E724-L726 VanDerWaalsContact C-N 3.34Å; E724-L726 PolarHBondContact O-N 3.43Å; E724-L727 PolarHBondContact O-N 3.43Å; E724-I728 WeakPolarHBondContact O-CG1 3.36Å; E724-I728 PolarHBondContact O-N 3.23Å; E724-I728 VanDerWaalsContact O-N 3.11Å; E724-L768 HydrophobicContact CG-CD2 4.35Å; E724-R771 IonicContact OE1-CZ 3.26Å; E724-R771 IonicContact OE1-NH1 2.78Å; E724-R771 PolarHBondContact OE1-NH1 2.89Å; E724-R771 IonicContact OE1-NH2 3.89Å; E724-R771 PolarHBondContact OE1-NH2 3.26Å
725	N	85.2	Confident	82.8	Confident	95 Å²	95	46.9 Å²	46.9	51%	0.508	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-41	175.4	-70.8	-24.9	0	0	0	112.2	Q721 E722 I723	Q721-N725 PolarHBondContact O-N 3.3Å; Q721-N725 VanDerWaalsContact O-N 3.11Å; Q721-N725 PolarHBondContact O-ND2 3.42Å; Q721-N725 VanDerWaalsContact O-ND2 3.13Å; E722-N725 PolarHBondContact O-N 2.88Å; I723-N725 VanDerWaalsContact C-N 3.28Å; I723-N725 PolarHBondContact O-N 2.99Å
726	L	84.8	Confident	82.7	Confident	32 Å²	32	53.8 Å²	53.8	17%	0.168	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-42.5	175.6	-70.1	173.6	0	0	0	111.8	E722 I723 E724 I728 S729 L730 I745	E722-L726 WeakPolarHBondContact O-CG 3.44Å; E722-L726 PolarHBondContact O-N 2.85Å; E722-L726 VanDerWaalsContact O-N 3.13Å; I723-L726 WeakPolarHBondContact O-CB 3.35Å; I723-L726 PolarHBondContact O-N 3.32Å; E724-L726 VanDerWaalsContact C-N 3.34Å; E724-L726 PolarHBondContact O-N 3.43Å; L726-I728 VanDerWaalsContact C-N 3.27Å; L726-I728 PolarHBondContact O-N 3.31Å; L726-S729 PolarHBondContact O-N 3.3Å; L726-S729 PolarHBondContact O-OG 3.46Å; L726-L730 WeakPolarHBondContact O-CG 3.48Å; L726-L730 PolarHBondContact O-N 2.94Å; L726-L730 VanDerWaalsContact O-N 3.13Å; L726-I745 HydrophobicContact CD1-CD1 3.72Å; L726-I745 HydrophobicContact CD1-CG1 3.2Å
727	L	84.5	Confident	82.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-36	178.8	-66.8	176.9	0	0	0	112.3	I723 E724 S729 L730 P733 W765 L768 V769 F772	I723-L727 HydrophobicContact CG2-CD1 3.79Å; I723-L727 HydrophobicContact CG2-CG 3.97Å; I723-L727 VanDerWaalsContact O-CG 3.3Å; I723-L727 WeakPolarHBondContact O-CG 3.33Å; I723-L727 PolarHBondContact O-N 3.12Å; E724-L727 PolarHBondContact O-N 3.43Å; L727-S729 VanDerWaalsContact C-N 3.25Å; L727-S729 PolarHBondContact O-N 2.96Å; L727-L730 PolarHBondContact O-N 3.03Å; L727-P733 HydrophobicContact CD2-CB 3.42Å; L727-P733 VanDerWaalsContact CD2-CB 3.42Å; L727-P733 HydrophobicContact CD2-CG 3.8Å; L727-W765 HydrophobicContact CD2-CH2 3.89Å; L727-W765 HydrophobicContact CD2-CZ2 4.26Å; L727-W765 HydrophobicContact CD2-CZ3 4.26Å; L727-L768 HydrophobicContact CD1-CB 4.09Å; L727-V769 HydrophobicContact CD1-CG2 4.48Å; L727-V769 HydrophobicContact CD2-CG2 3.86Å; L727-F772 HydrophobicContact CB-CD2 4.06Å; L727-F772 HydrophobicContact CB-CE2 4.36Å; L727-F772 HydrophobicContact CB-CG 4.45Å; L727-F772 HydrophobicContact CD1-CB 4.17Å
728	I	81.9	Confident	82.5	Confident	132 Å²	132	55 Å²	55	68%	0.677	30%	0.298	S	S	*	.	H	α-helix	trans	-63.7	-32.7	175.3	-67.2	163.6	0	0	0	111.7	E724 L726	E724-I728 WeakPolarHBondContact O-CG1 3.36Å; E724-I728 PolarHBondContact O-N 3.23Å; E724-I728 VanDerWaalsContact O-N 3.11Å; L726-I728 VanDerWaalsContact C-N 3.27Å; L726-I728 PolarHBondContact O-N 3.31Å
729	S	80.9	Confident	82.5	Confident	87 Å²	87	57.9 Å²	57.9	61%	0.608	31%	0.311	S	S	*	.	H	α-helix	trans	-82	-20.7	179.7	72.9	0	0	0	0	113.7	L726 L727	L726-S729 PolarHBondContact O-N 3.3Å; L726-S729 PolarHBondContact O-OG 3.46Å; L727-S729 VanDerWaalsContact C-N 3.25Å; L727-S729 PolarHBondContact O-N 2.96Å
730	L	78.1	Confident	82.4	Confident	49 Å²	49	63.7 Å²	63.7	26%	0.257	34%	0.342	S	S	.	.			trans	-87.9	126.9	-177.8	-68.9	171.9	0	0	0	110.6	L726 L727 K732 P733 W765	L726-L730 WeakPolarHBondContact O-CG 3.48Å; L726-L730 PolarHBondContact O-N 2.94Å; L726-L730 VanDerWaalsContact O-N 3.13Å; L727-L730 PolarHBondContact O-N 3.03Å; L730-K732 VanDerWaalsContact C-N 3.34Å; L730-K732 PolarHBondContact O-N 2.93Å; L730-P733 HydrophobicContact CD1-CB 4.4Å; L730-W765 HydrophobicContact CD1-CH2 4.28Å
731	P	71.1	Confident	82.3	Confident	117 Å²	117	65 Å²	65	76%	0.76	35%	0.349	S	S	*	.	S	Bend	trans	-65.6	-35.4	177.8	24.1	-31.9	0	0	0	112.8
732	K	70.6	Confident	82.4	Confident	77 Å²	77	60.5 Å²	60.5	34%	0.335	33%	0.328	S	S	.	.	S	Bend	trans	-148.8	110.7	171.6	-72.7	-170.5	-175.8	-179	0	110.8	D571 L730	D571-K732 WeakPolarHBondContact OD1-CD 3.44Å; D571-K732 WeakPolarHBondContact OD1-CE 3.39Å; D571-K732 IonicContact OD1-NZ 3.31Å; D571-K732 PolarHBondContact OD1-NZ 3.24Å; L730-K732 VanDerWaalsContact C-N 3.34Å; L730-K732 PolarHBondContact O-N 2.93Å
733	P	78.4	Confident	82.3	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.019	34%	0.342	C	S	.	.			trans	-76.2	139.7	177.6	27	-31.3	0	0	0	112.4	L727 L730 W765 V769 F772 Y773	L727-P733 HydrophobicContact CD2-CB 3.42Å; L727-P733 VanDerWaalsContact CD2-CB 3.42Å; L727-P733 HydrophobicContact CD2-CG 3.8Å; L730-P733 HydrophobicContact CD1-CB 4.4Å; P733-W765 HydrophobicContact CB-CZ2 4.35Å; P733-V769 HydrophobicContact CB-CG2 4.22Å; P733-V769 HydrophobicContact CG-CG1 4.34Å; P733-F772 HydrophobicContact CG-CD1 3.63Å; P733-F772 HydrophobicContact CG-CE1 3.72Å; P733-Y773 WeakPolarHBondContact CD-OH 3.27Å; P733-Y773 HydrophobicContact CG-CE2 3.92Å; P733-Y773 WeakPolarHBondContact O-CE2 3.3Å; P733-Y773 PolarHBondContact O-OH 2.87Å
734	S	80.8	Confident	82.3	Confident	36 Å²	36	65.5 Å²	65.5	25%	0.252	36%	0.359	S	S	.	.			trans	-71.8	147.1	174.7	48.6	0	0	0	0	111.7	H736 N738 W765	S734-H736 WeakPolarHBondContact CB-O 3.07Å; S734-H736 PolarHBondContact O-N 3.42Å; S734-H736 PolarHBondContact OG-O 3Å; S734-N738 PolarHBondContact OG-ND2 2.93Å; S734-N738 PolarHBondContact OG-OD1 3.27Å; S734-W765 PolarHBondContact O-NE1 2.83Å
735	A	77.8	Confident	82.3	Confident	34 Å²	34	62.7 Å²	62.7	28%	0.281	35%	0.346	S	S	.	.	S	Bend	trans	-51.1	-44.4	175.9	0	0	0	0	0	111.7	H569 W765	H569-A735 WeakPolarHBondContact NE2-CA 3.39Å; H569-A735 WeakPolarHBondContact NE2-CB 3.04Å; H569-A735 PolarHBondContact NE2-N 2.93Å; A735-W765 PolarHBondContact O-NE1 3.11Å
736	H	82.7	Confident	82.3	Confident	149 Å²	149	60.9 Å²	60.9	69%	0.69	33%	0.332	S	S	*	.	S	Bend	trans	-103.7	140.4	176.9	-57.9	88.9	0	0	0	109.5	S734 N738	S734-H736 WeakPolarHBondContact CB-O 3.07Å; S734-H736 PolarHBondContact O-N 3.42Å; S734-H736 PolarHBondContact OG-O 3Å; H736-N738 PolarHBondContact O-N 3.32Å
737	I	83.4	Confident	82.4	Confident	26 Å²	26	68.4 Å²	68.4	13%	0.133	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-62.6	127.9	178.8	-166.9	172.1	0	0	0	110.3	D741 L742 I745 V761 R762 W765	I737-D741 HydrophobicContact CG1-CB 4.05Å; I737-L742 HydrophobicContact CD1-CB 3.73Å; I737-L742 HydrophobicContact CD1-CD1 4.38Å; I737-L742 HydrophobicContact CD1-CG 4.23Å; I737-L742 HydrophobicContact CG1-CB 4.01Å; I737-L742 HydrophobicContact CG2-CB 4.47Å; I737-L742 HydrophobicContact CG2-CD1 3.9Å; I737-I745 HydrophobicContact CD1-CD1 3.76Å; I737-V761 HydrophobicContact CD1-CG1 3.6Å; I737-R762 HydrophobicContact CG2-CG 3.87Å; I737-W765 HydrophobicContact CB-CB 4.36Å; I737-W765 HydrophobicContact CB-CD2 3.78Å; I737-W765 HydrophobicContact CB-CE3 4.36Å; I737-W765 HydrophobicContact CB-CG 3.76Å; I737-W765 HydrophobicContact CD1-CD2 4.11Å; I737-W765 HydrophobicContact CD1-CE3 3.86Å; I737-W765 HydrophobicContact CD1-CG 4.45Å; I737-W765 HydrophobicContact CD1-CZ3 4.42Å; I737-W765 HydrophobicContact CG1-CD2 3.89Å; I737-W765 HydrophobicContact CG1-CE3 3.96Å; I737-W765 HydrophobicContact CG1-CG 4.32Å; I737-W765 HydrophobicContact CG1-CZ3 4.31Å
738	N	85.6	Confident	82.5	Confident	84 Å²	84	70.9 Å²	70.9	45%	0.449	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-70.2	153.8	172.8	-63.5	-37	0	0	0	109.9	S734 H736 D740 D741 L742	S734-N738 PolarHBondContact OG-ND2 2.93Å; S734-N738 PolarHBondContact OG-OD1 3.27Å; H736-N738 PolarHBondContact O-N 3.32Å; N738-D740 PolarHBondContact O-N 3.12Å; N738-D741 WeakPolarHBondContact CB-OD2 3.3Å; N738-D741 PolarHBondContact ND2-OD2 3.04Å; N738-D741 PolarHBondContact O-N 2.88Å; N738-L742 WeakPolarHBondContact O-CB 3.33Å; N738-L742 PolarHBondContact O-N 3.39Å
739	Q	84.7	Confident	82.8	Confident	117 Å²	117	64.6 Å²	64.6	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-36.9	-178.9	-170.5	64.4	11.7	0	0	111.7	L742 T743	Q739-L742 PolarHBondContact O-N 3.28Å; Q739-T743 WeakPolarHBondContact O-CG2 3.36Å; Q739-T743 PolarHBondContact O-N 3.06Å
740	D	84.5	Confident	83.1	Confident	123 Å²	123	66.1 Å²	66.1	66%	0.658	34%	0.337	S	S	*	.	H	α-helix	trans	-66	-44.3	178.6	-62.9	-23.8	0	0	0	111.9	N738 L742 T743 T744	N738-D740 PolarHBondContact O-N 3.12Å; D740-L742 VanDerWaalsContact C-N 3.34Å; D740-L742 PolarHBondContact O-N 2.76Å; D740-T743 PolarHBondContact O-N 3.12Å; D740-T743 PolarHBondContact O-OG1 2.75Å; D740-T744 PolarHBondContact O-N 3.38Å; D740-T744 PolarHBondContact O-OG1 3.2Å
741	D	85.7	Confident	83.5	Confident	32 Å²	32	67.7 Å²	67.7	17%	0.171	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-41.8	176.2	-62.4	-35.4	0	0	0	111.1	I737 N738 T743 T744 I745	I737-D741 HydrophobicContact CG1-CB 4.05Å; N738-D741 WeakPolarHBondContact CB-OD2 3.3Å; N738-D741 PolarHBondContact ND2-OD2 3.04Å; N738-D741 PolarHBondContact O-N 2.88Å; D741-T743 VanDerWaalsContact C-N 3.33Å; D741-T743 PolarHBondContact O-N 2.68Å; D741-T744 PolarHBondContact O-N 3.4Å; D741-I745 WeakPolarHBondContact O-CG1 3.49Å; D741-I745 PolarHBondContact O-N 2.88Å
742	L	87.7	Confident	84	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-61	-42	176.4	-173.5	148.7	0	0	0	111.5	I737 N738 Q739 D740 R746 R762	I737-L742 HydrophobicContact CD1-CB 3.73Å; I737-L742 HydrophobicContact CD1-CD1 4.38Å; I737-L742 HydrophobicContact CD1-CG 4.23Å; I737-L742 HydrophobicContact CG1-CB 4.01Å; I737-L742 HydrophobicContact CG2-CB 4.47Å; I737-L742 HydrophobicContact CG2-CD1 3.9Å; N738-L742 WeakPolarHBondContact O-CB 3.33Å; N738-L742 PolarHBondContact O-N 3.39Å; Q739-L742 PolarHBondContact O-N 3.28Å; D740-L742 VanDerWaalsContact C-N 3.34Å; D740-L742 PolarHBondContact O-N 2.76Å; L742-R746 VanDerWaalsContact O-CB 3.29Å; L742-R746 WeakPolarHBondContact O-CB 3.36Å; L742-R746 PolarHBondContact O-N 3.44Å; L742-R762 HydrophobicContact CD1-CG 4.04Å
743	T	85.8	Confident	84.6	Confident	59 Å²	59	71.9 Å²	71.9	36%	0.362	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-37.8	175.2	63.5	0	0	0	0	112.6	Q739 D740 D741 R747	Q739-T743 WeakPolarHBondContact O-CG2 3.36Å; Q739-T743 PolarHBondContact O-N 3.06Å; D740-T743 PolarHBondContact O-N 3.12Å; D740-T743 PolarHBondContact O-OG1 2.75Å; D741-T743 VanDerWaalsContact C-N 3.33Å; D741-T743 PolarHBondContact O-N 2.68Å; T743-R747 WeakPolarHBondContact O-CB 3.38Å; T743-R747 PolarHBondContact O-N 3.25Å
744	T	86.6	Confident	84.7	Confident	59 Å²	59	72.2 Å²	72.2	36%	0.362	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-48.9	179.2	-57.3	0	0	0	0	111.3	D740 D741 R746 R747 N748	D740-T744 PolarHBondContact O-N 3.38Å; D740-T744 PolarHBondContact O-OG1 3.2Å; D741-T744 PolarHBondContact O-N 3.4Å; T744-R746 PolarHBondContact O-N 2.8Å; T744-R747 PolarHBondContact O-N 2.95Å; T744-N748 VanDerWaalsContact O-CG 3.3Å; T744-N748 PolarHBondContact O-N 3.38Å
745	I	86.8	Confident	84.5	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-46.9	177.1	-68.9	160.2	0	0	0	110.4	T719 I723 L726 I737 D741 R747 N748 L749 V761 W765	T719-I745 HydrophobicContact CG2-CG2 4.4Å; I723-I745 HydrophobicContact CG1-CD1 3.78Å; I723-I745 HydrophobicContact CG1-CG1 4.43Å; I723-I745 HydrophobicContact CG1-CG2 4.48Å; L726-I745 HydrophobicContact CD1-CD1 3.72Å; L726-I745 HydrophobicContact CD1-CG1 3.2Å; I737-I745 HydrophobicContact CD1-CD1 3.76Å; D741-I745 WeakPolarHBondContact O-CG1 3.49Å; D741-I745 PolarHBondContact O-N 2.88Å; I745-R747 VanDerWaalsContact C-N 3.33Å; I745-R747 PolarHBondContact O-N 3.5Å; I745-N748 PolarHBondContact O-N 2.75Å; I745-L749 HydrophobicContact CG2-CD1 3.52Å; I745-L749 HydrophobicContact CG2-CG 4.32Å; I745-L749 WeakPolarHBondContact O-CB 3.42Å; I745-L749 VanDerWaalsContact O-CG 3.28Å; I745-L749 WeakPolarHBondContact O-CG 3.26Å; I745-L749 PolarHBondContact O-N 3.4Å; I745-V761 HydrophobicContact CB-CG1 4.33Å; I745-V761 HydrophobicContact CD1-CG1 4.26Å; I745-V761 HydrophobicContact CG2-CG1 3.84Å; I745-V761 HydrophobicContact CG2-CG2 4.27Å; I745-W765 HydrophobicContact CD1-CE3 4.09Å; I745-W765 HydrophobicContact CD1-CZ3 3.92Å
746	R	86.4	Confident	84.5	Confident	58 Å²	58	75.3 Å²	75.3	22%	0.219	39%	0.385	C	S	.	.	H	α-helix	trans	-58.7	-46.3	179	-167.9	-166.2	-61.1	122.2	-15.9	111.2	L742 T744 L749 Q750 D758	L742-R746 VanDerWaalsContact O-CB 3.29Å; L742-R746 WeakPolarHBondContact O-CB 3.36Å; L742-R746 PolarHBondContact O-N 3.44Å; T744-R746 PolarHBondContact O-N 2.8Å; R746-L749 PolarHBondContact O-N 3.19Å; R746-Q750 HydrophobicContact CG-CG 4.47Å; R746-Q750 WeakPolarHBondContact O-CB 3.38Å; R746-Q750 VanDerWaalsContact O-CG 3.26Å; R746-Q750 WeakPolarHBondContact O-CG 3.43Å; R746-Q750 PolarHBondContact O-N 3.03Å; R746-D758 IonicContact CZ-OD1 2.62Å; R746-D758 IonicContact CZ-OD2 3.12Å; R746-D758 IonicContact NE-OD1 2.75Å; R746-D758 PolarHBondContact NE-OD1 3.4Å; R746-D758 IonicContact NH2-OD1 3.1Å; R746-D758 PolarHBondContact NH2-OD1 3.27Å; R746-D758 IonicContact NH2-OD2 2.99Å; R746-D758 PolarHBondContact NH2-OD2 3.07Å
747	R	86.4	Confident	84.5	Confident	190 Å²	190	72.6 Å²	72.6	72%	0.717	38%	0.379	S	S	*	.	H	α-helix	trans	-63.3	-42.6	-179.7	-172.3	176.7	-177.2	163.2	1.1	112	T743 T744 I745 Q750 A751	T743-R747 WeakPolarHBondContact O-CB 3.38Å; T743-R747 PolarHBondContact O-N 3.25Å; T744-R747 PolarHBondContact O-N 2.95Å; I745-R747 VanDerWaalsContact C-N 3.33Å; I745-R747 PolarHBondContact O-N 3.5Å; R747-Q750 PolarHBondContact O-N 3.37Å; R747-A751 WeakPolarHBondContact O-CB 3.43Å; R747-A751 PolarHBondContact O-N 3.21Å
748	N	87	Confident	84.6	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.294	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-38.2	179.2	-69.2	-5.8	0	0	0	112.1	E722 T744 I745 A751 R752	E722-N748 HydrophobicContact CG-CB 4.06Å; E722-N748 WeakPolarHBondContact OE1-CB 3.32Å; E722-N748 PolarHBondContact OE1-ND2 3.33Å; T744-N748 VanDerWaalsContact O-CG 3.3Å; T744-N748 PolarHBondContact O-N 3.38Å; I745-N748 PolarHBondContact O-N 2.75Å; N748-A751 PolarHBondContact O-N 3.13Å; N748-R752 PolarHBondContact O-N 2.93Å
749	L	87.6	Confident	84.6	Confident	1 Å²	1	76 Å²	76	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-72.9	-38	177	-68.5	168.6	0	0	0	112.5	T719 E722 I745 R746 A751 R752 N753 V754 V756	T719-L749 HydrophobicContact CG2-CD1 3.89Å; T719-L749 WeakPolarHBondContact OG1-CD1 3.37Å; E722-L749 HydrophobicContact CB-CD2 4.3Å; I745-L749 HydrophobicContact CG2-CD1 3.52Å; I745-L749 HydrophobicContact CG2-CG 4.32Å; I745-L749 WeakPolarHBondContact O-CB 3.42Å; I745-L749 VanDerWaalsContact O-CG 3.28Å; I745-L749 WeakPolarHBondContact O-CG 3.26Å; I745-L749 PolarHBondContact O-N 3.4Å; R746-L749 PolarHBondContact O-N 3.19Å; L749-A751 VanDerWaalsContact C-N 3.32Å; L749-A751 PolarHBondContact O-N 3.11Å; L749-R752 CarbonylContact O-C 3.56Å; L749-R752 PolarHBondContact O-N 2.82Å; L749-R752 VanDerWaalsContact O-N 3.13Å; L749-N753 PolarHBondContact O-N 3.38Å; L749-V754 HydrophobicContact CB-CB 4.36Å; L749-V754 HydrophobicContact CD2-CB 4.47Å; L749-V754 HydrophobicContact CD2-CG2 4.29Å; L749-V754 PolarHBondContact O-N 2.92Å; L749-V756 HydrophobicContact CB-CG2 4.34Å; L749-V756 HydrophobicContact CD1-CB 4.37Å; L749-V756 HydrophobicContact CD1-CG1 4.29Å; L749-V756 HydrophobicContact CD1-CG2 4.07Å
750	Q	87.2	Confident	84.6	Confident	118 Å²	118	71.4 Å²	71.4	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-61.4	-40.9	171.9	-77.2	176.3	-17.1	0	0	111.6	R746 R747 R752 N753	R746-Q750 HydrophobicContact CG-CG 4.47Å; R746-Q750 WeakPolarHBondContact O-CB 3.38Å; R746-Q750 VanDerWaalsContact O-CG 3.26Å; R746-Q750 WeakPolarHBondContact O-CG 3.43Å; R746-Q750 PolarHBondContact O-N 3.03Å; R747-Q750 PolarHBondContact O-N 3.37Å; Q750-R752 PolarHBondContact O-N 2.79Å; Q750-N753 PolarHBondContact O-N 3.42Å
751	A	85.8	Confident	84.6	Confident	83 Å²	83	65.6 Å²	65.6	69%	0.686	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-25.5	175.7	0	0	0	0	0	113.2	R747 N748 L749	R747-A751 WeakPolarHBondContact O-CB 3.43Å; R747-A751 PolarHBondContact O-N 3.21Å; N748-A751 PolarHBondContact O-N 3.13Å; L749-A751 VanDerWaalsContact C-N 3.32Å; L749-A751 PolarHBondContact O-N 3.11Å
752	R	83.2	Confident	84.7	Confident	131 Å²	131	70.2 Å²	70.2	49%	0.494	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	9.2	174.5	-66.7	-173.8	-173.2	151	15.7	113.7	E722 N748 L749 Q750 V754	E722-R752 IonicContact OE2-CZ 3.73Å; E722-R752 VanDerWaalsContact OE2-CZ 3.29Å; E722-R752 IonicContact OE2-NH1 3.6Å; E722-R752 PolarHBondContact OE2-NH1 2.96Å; E722-R752 IonicContact OE2-NH2 2.64Å; E722-R752 PolarHBondContact OE2-NH2 3.46Å; N748-R752 PolarHBondContact O-N 2.93Å; L749-R752 CarbonylContact O-C 3.56Å; L749-R752 PolarHBondContact O-N 2.82Å; L749-R752 VanDerWaalsContact O-N 3.13Å; Q750-R752 PolarHBondContact O-N 2.79Å; R752-V754 VanDerWaalsContact C-N 3.31Å; R752-V754 HydrophobicContact CB-CG2 3.93Å; R752-V754 PolarHBondContact O-N 3.32Å
753	N	83.3	Confident	84.7	Confident	151 Å²	151	74.3 Å²	74.3	81%	0.807	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	35.4	-177.3	-63.8	-42.9	0	0	0	114.3	L749 Q750	L749-N753 PolarHBondContact O-N 3.38Å; Q750-N753 PolarHBondContact O-N 3.42Å
754	V	79.1	Confident	84.7	Confident	10 Å²	10	71.6 Å²	71.6	6%	0.061	36%	0.356	C	S	.	.			trans	-93	123.6	177.8	-164.6	0	0	0	0	109.9	A715 Q718 L749 R752 V756	A715-V754 HydrophobicContact CB-CG1 4.09Å; Q718-V754 HydrophobicContact CB-CG1 4.25Å; Q718-V754 HydrophobicContact CB-CG2 4.4Å; L749-V754 HydrophobicContact CB-CB 4.36Å; L749-V754 HydrophobicContact CD2-CB 4.47Å; L749-V754 HydrophobicContact CD2-CG2 4.29Å; L749-V754 PolarHBondContact O-N 2.92Å; R752-V754 VanDerWaalsContact C-N 3.31Å; R752-V754 HydrophobicContact CB-CG2 3.93Å; R752-V754 PolarHBondContact O-N 3.32Å; V754-V756 HydrophobicContact CB-CG2 3.93Å; V754-V756 HydrophobicContact CG1-CG2 3.49Å; V754-V756 VanDerWaalsContact CG1-CG2 3.49Å; V754-V756 PolarHBondContact O-N 2.96Å
755	P	77.3	Confident	84.9	Confident	109 Å²	109	68.9 Å²	68.9	71%	0.708	34%	0.339	S	S	*	.			trans	-76.2	95.7	178.5	30.4	-33.2	0	0	0	110.2
756	V	77.6	Confident	85	Confident	26 Å²	26	73.9 Å²	73.9	16%	0.158	36%	0.362	C	S	.	.			trans	-125.1	128	-176.6	-169.3	0	0	0	0	111.2	A715 L749 V754 I760 V761	A715-V756 HydrophobicContact CB-CG2 4.44Å; L749-V756 HydrophobicContact CB-CG2 4.34Å; L749-V756 HydrophobicContact CD1-CB 4.37Å; L749-V756 HydrophobicContact CD1-CG1 4.29Å; L749-V756 HydrophobicContact CD1-CG2 4.07Å; V754-V756 HydrophobicContact CB-CG2 3.93Å; V754-V756 HydrophobicContact CG1-CG2 3.49Å; V754-V756 VanDerWaalsContact CG1-CG2 3.49Å; V754-V756 PolarHBondContact O-N 2.96Å; V756-I760 HydrophobicContact CG1-CB 3.94Å; V756-I760 HydrophobicContact CG1-CG2 4.06Å; V756-V761 HydrophobicContact CG1-CG2 3.6Å
757	T	83.4	Confident	85.1	Confident	92 Å²	92	72.3 Å²	72.3	56%	0.564	36%	0.36	S	S	*	.			trans	-90.1	148.4	172.1	-49.6	0	0	0	0	109.9	K759 I760 V761	T757-K759 HydrophobicContact CG2-CB 4.2Å; T757-K759 PolarHBondContact O-N 2.89Å; T757-I760 WeakPolarHBondContact O-CB 3.41Å; T757-I760 PolarHBondContact O-N 2.96Å; T757-V761 PolarHBondContact O-N 2.98Å
758	D	84.6	Confident	85.2	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-49.6	-35.4	174.8	-68.4	4.9	0	0	0	113.7	R746 I760 V761 R762	R746-D758 IonicContact CZ-OD1 2.62Å; R746-D758 IonicContact CZ-OD2 3.12Å; R746-D758 IonicContact NE-OD1 2.75Å; R746-D758 PolarHBondContact NE-OD1 3.4Å; R746-D758 IonicContact NH2-OD1 3.1Å; R746-D758 PolarHBondContact NH2-OD1 3.27Å; R746-D758 IonicContact NH2-OD2 2.99Å; R746-D758 PolarHBondContact NH2-OD2 3.07Å; D758-I760 VanDerWaalsContact C-N 3.35Å; D758-V761 PolarHBondContact O-N 3.34Å; D758-R762 WeakPolarHBondContact O-CG 3.2Å; D758-R762 PolarHBondContact O-N 2.85Å
759	K	85.5	Confident	85.2	Confident	134 Å²	134	61 Å²	61	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-58.5	-45.8	175.5	-177.5	176	172.9	180	0	111.7	T757 V761 R762 E763	T757-K759 HydrophobicContact CG2-CB 4.2Å; T757-K759 PolarHBondContact O-N 2.89Å; K759-V761 PolarHBondContact O-N 2.78Å; K759-R762 PolarHBondContact O-N 2.95Å; K759-E763 WeakPolarHBondContact CE-OE1 3.24Å; K759-E763 HydrophobicContact CG-CG 4.46Å; K759-E763 WeakPolarHBondContact CG-OE1 3.49Å; K759-E763 IonicContact NZ-OE1 2.68Å; K759-E763 WeakPolarHBondContact O-CB 3.42Å; K759-E763 WeakPolarHBondContact O-CG 3.45Å; K759-E763 PolarHBondContact O-N 3.13Å
760	I	84.7	Confident	85.3	Confident	20 Å²	20	62.9 Å²	62.9	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-45.3	179.6	-61.3	176.1	0	0	0	109.7	R716 V756 T757 D758 R762 E763 T764	R716-I760 HydrophobicContact CG-CG2 3.59Å; V756-I760 HydrophobicContact CG1-CB 3.94Å; V756-I760 HydrophobicContact CG1-CG2 4.06Å; T757-I760 WeakPolarHBondContact O-CB 3.41Å; T757-I760 PolarHBondContact O-N 2.96Å; D758-I760 VanDerWaalsContact C-N 3.35Å; I760-R762 PolarHBondContact O-N 3.44Å; I760-E763 PolarHBondContact O-N 2.9Å; I760-T764 HydrophobicContact CG2-CG2 4.34Å; I760-T764 WeakPolarHBondContact O-CB 3.49Å; I760-T764 WeakPolarHBondContact O-CG2 3.47Å; I760-T764 PolarHBondContact O-N 2.92Å; I760-T764 PolarHBondContact O-OG1 3.32Å
761	V	85.8	Confident	85.5	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-58.7	-48	178.5	-176.8	0	0	0	0	111	T719 I737 I745 V756 T757 D758 K759 T764 W765	T719-V761 HydrophobicContact CG2-CG2 4.19Å; I737-V761 HydrophobicContact CD1-CG1 3.6Å; I745-V761 HydrophobicContact CB-CG1 4.33Å; I745-V761 HydrophobicContact CD1-CG1 4.26Å; I745-V761 HydrophobicContact CG2-CG1 3.84Å; I745-V761 HydrophobicContact CG2-CG2 4.27Å; V756-V761 HydrophobicContact CG1-CG2 3.6Å; T757-V761 PolarHBondContact O-N 2.98Å; D758-V761 PolarHBondContact O-N 3.34Å; K759-V761 PolarHBondContact O-N 2.78Å; V761-T764 WeakPolarHBondContact CA-OG1 3.47Å; V761-T764 PolarHBondContact O-N 3.46Å; V761-T764 PolarHBondContact O-OG1 3.43Å; V761-W765 WeakPolarHBondContact O-CB 3.37Å; V761-W765 PolarHBondContact O-N 3.3Å
762	R	87.3	Confident	85.6	Confident	129 Å²	129	58 Å²	58	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-46.5	178.2	-70.9	-179.5	-169.4	141.9	4.1	112.5	I737 L742 D758 K759 I760 T764 W765	I737-R762 HydrophobicContact CG2-CG 3.87Å; L742-R762 HydrophobicContact CD1-CG 4.04Å; D758-R762 WeakPolarHBondContact O-CG 3.2Å; D758-R762 PolarHBondContact O-N 2.85Å; K759-R762 PolarHBondContact O-N 2.95Å; I760-R762 PolarHBondContact O-N 3.44Å; R762-T764 VanDerWaalsContact C-N 3.27Å; R762-T764 PolarHBondContact O-N 3.03Å; R762-W765 PolarHBondContact O-N 3.33Å
763	E	86.8	Confident	85.9	Confident	87 Å²	87	52 Å²	52	41%	0.407	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-31	178.3	-73.6	175.1	179.6	0	0	112.7	R716 K759 I760 P767	R716-E763 IonicContact NH2-OE2 3.25Å; R716-E763 PolarHBondContact NH2-OE2 3.42Å; R716-E763 VanDerWaalsContact NH2-OE2 3.15Å; K759-E763 WeakPolarHBondContact CE-OE1 3.24Å; K759-E763 HydrophobicContact CG-CG 4.46Å; K759-E763 WeakPolarHBondContact CG-OE1 3.49Å; K759-E763 IonicContact NZ-OE1 2.68Å; K759-E763 WeakPolarHBondContact O-CB 3.42Å; K759-E763 WeakPolarHBondContact O-CG 3.45Å; K759-E763 PolarHBondContact O-N 3.13Å; I760-E763 PolarHBondContact O-N 2.9Å; E763-P767 WeakPolarHBondContact O-CD 3.39Å
764	T	87.1	Confident	86.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-81.4	-25.1	175.5	53.9	0	0	0	0	113.8	F695 R716 T719 I723 I760 V761 R762 L768	F695-T764 HydrophobicContact CE1-CG2 3.69Å; F695-T764 HydrophobicContact CZ-CG2 3.75Å; R716-T764 HydrophobicContact CB-CG2 4.04Å; R716-T764 HydrophobicContact CG-CG2 3.73Å; T719-T764 WeakPolarHBondContact CG2-OG1 3.31Å; I723-T764 WeakPolarHBondContact CD1-OG1 3.37Å; I760-T764 HydrophobicContact CG2-CG2 4.34Å; I760-T764 WeakPolarHBondContact O-CB 3.49Å; I760-T764 WeakPolarHBondContact O-CG2 3.47Å; I760-T764 PolarHBondContact O-N 2.92Å; I760-T764 PolarHBondContact O-OG1 3.32Å; V761-T764 WeakPolarHBondContact CA-OG1 3.47Å; V761-T764 PolarHBondContact O-N 3.46Å; V761-T764 PolarHBondContact O-OG1 3.43Å; R762-T764 VanDerWaalsContact C-N 3.27Å; R762-T764 PolarHBondContact O-N 3.03Å; T764-L768 VanDerWaalsContact O-CD1 3.25Å; T764-L768 WeakPolarHBondContact O-CD1 3.33Å; T764-L768 WeakPolarHBondContact O-CG 3.19Å
765	W	90	Very high	86.7	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.011	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-54.5	-174.9	177.7	-93.7	0	0	0	112.4	I723 L727 L730 P733 S734 A735 I737 I745 V761 R762 L768 V769	I723-W765 HydrophobicContact CD1-CE3 4.28Å; I723-W765 HydrophobicContact CG1-CE3 4.16Å; I723-W765 HydrophobicContact CG2-CE3 3.7Å; I723-W765 HydrophobicContact CG2-CZ3 3.93Å; L727-W765 HydrophobicContact CD2-CH2 3.89Å; L727-W765 HydrophobicContact CD2-CZ2 4.26Å; L727-W765 HydrophobicContact CD2-CZ3 4.26Å; L730-W765 HydrophobicContact CD1-CH2 4.28Å; P733-W765 HydrophobicContact CB-CZ2 4.35Å; S734-W765 PolarHBondContact O-NE1 2.83Å; A735-W765 PolarHBondContact O-NE1 3.11Å; I737-W765 HydrophobicContact CB-CB 4.36Å; I737-W765 HydrophobicContact CB-CD2 3.78Å; I737-W765 HydrophobicContact CB-CE3 4.36Å; I737-W765 HydrophobicContact CB-CG 3.76Å; I737-W765 HydrophobicContact CD1-CD2 4.11Å; I737-W765 HydrophobicContact CD1-CE3 3.86Å; I737-W765 HydrophobicContact CD1-CG 4.45Å; I737-W765 HydrophobicContact CD1-CZ3 4.42Å; I737-W765 HydrophobicContact CG1-CD2 3.89Å; I737-W765 HydrophobicContact CG1-CE3 3.96Å; I737-W765 HydrophobicContact CG1-CG 4.32Å; I737-W765 HydrophobicContact CG1-CZ3 4.31Å; I745-W765 HydrophobicContact CD1-CE3 4.09Å; I745-W765 HydrophobicContact CD1-CZ3 3.92Å; V761-W765 WeakPolarHBondContact O-CB 3.37Å; V761-W765 PolarHBondContact O-N 3.3Å; R762-W765 PolarHBondContact O-N 3.33Å; W765-L768 PolarHBondContact O-N 3.45Å; W765-L768 VanDerWaalsContact O-N 3.14Å; W765-V769 HydrophobicContact CD2-CG2 4Å; W765-V769 HydrophobicContact CG-CG2 4.22Å; W765-V769 HydrophobicContact CZ2-CG2 3.89Å; W765-V769 WeakPolarHBondContact O-CG2 3.11Å; W765-V769 PolarHBondContact O-N 3.4Å
766	E	88.5	Confident	87.2	Confident	104 Å²	104	46.8 Å²	46.8	49%	0.486	22%	0.217	S	C	.	.	H	α-helix	trans	-59.5	-48	-172.5	178.3	-179	-172.1	0	0	113	L768 V769 Q770	E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.96Å; E766-V769 PolarHBondContact O-N 3.3Å; E766-Q770 WeakPolarHBondContact O-CG 3.38Å; E766-Q770 PolarHBondContact O-N 3.25Å
767	P	88.3	Confident	87.7	Confident	25 Å²	25	45.7 Å²	45.7	16%	0.162	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-33.4	176.7	-23	34.3	0	0	0	113.7	I691 E763 R771	I691-P767 HydrophobicContact CD1-CB 4.38Å; I691-P767 HydrophobicContact CG1-CB 3.94Å; E763-P767 WeakPolarHBondContact O-CD 3.39Å; P767-R771 WeakPolarHBondContact O-CB 3.32Å; P767-R771 PolarHBondContact O-N 2.87Å
768	L	88.4	Confident	88	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-74.3	-38.3	178.7	-67.4	173.2	0	0	0	111.8	I691 F695 A720 I723 E724 L727 T764 W765 E766 R771 F772	I691-L768 HydrophobicContact CD1-CD2 4.29Å; F695-L768 HydrophobicContact CZ-CD1 4.39Å; F695-L768 HydrophobicContact CZ-CD2 4.46Å; F695-L768 HydrophobicContact CZ-CG 4.33Å; A720-L768 HydrophobicContact CB-CD1 3.92Å; I723-L768 HydrophobicContact CB-CD1 3.77Å; I723-L768 HydrophobicContact CD1-CD1 4.01Å; I723-L768 HydrophobicContact CG1-CD1 4.5Å; I723-L768 HydrophobicContact CG2-CB 4.07Å; I723-L768 HydrophobicContact CG2-CD1 3.64Å; E724-L768 HydrophobicContact CG-CD2 4.35Å; L727-L768 HydrophobicContact CD1-CB 4.09Å; T764-L768 VanDerWaalsContact O-CD1 3.25Å; T764-L768 WeakPolarHBondContact O-CD1 3.33Å; T764-L768 WeakPolarHBondContact O-CG 3.19Å; W765-L768 PolarHBondContact O-N 3.45Å; W765-L768 VanDerWaalsContact O-N 3.14Å; E766-L768 VanDerWaalsContact C-N 3.28Å; E766-L768 PolarHBondContact O-N 2.96Å; L768-R771 PolarHBondContact O-N 3.47Å; L768-F772 WeakPolarHBondContact O-CB 3.46Å; L768-F772 PolarHBondContact O-N 3.49Å
769	V	88.7	Confident	88.1	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-45.1	172.4	170.4	0	0	0	0	110.8	L727 P733 W765 E766 R771 F772 Y773	L727-V769 HydrophobicContact CD1-CG2 4.48Å; L727-V769 HydrophobicContact CD2-CG2 3.86Å; P733-V769 HydrophobicContact CB-CG2 4.22Å; P733-V769 HydrophobicContact CG-CG1 4.34Å; W765-V769 HydrophobicContact CD2-CG2 4Å; W765-V769 HydrophobicContact CG-CG2 4.22Å; W765-V769 HydrophobicContact CZ2-CG2 3.89Å; W765-V769 WeakPolarHBondContact O-CG2 3.11Å; W765-V769 PolarHBondContact O-N 3.4Å; E766-V769 PolarHBondContact O-N 3.3Å; V769-R771 PolarHBondContact O-N 2.97Å; V769-F772 WeakPolarHBondContact O-CB 3.45Å; V769-F772 PolarHBondContact O-N 2.81Å; V769-Y773 HydrophobicContact CG1-CD2 3.59Å; V769-Y773 HydrophobicContact CG1-CE2 3.48Å; V769-Y773 VanDerWaalsContact CG1-CE2 3.48Å; V769-Y773 VanDerWaalsContact O-CD2 3.28Å; V769-Y773 WeakPolarHBondContact O-CD2 3.11Å; V769-Y773 PolarHBondContact O-N 3.46Å
770	Q	89.5	Confident	88.1	Confident	40 Å²	40	41.6 Å²	41.6	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-48.5	174	-73.6	176.3	-1	0	0	111.3	E766 F772 Y773 L774	E766-Q770 WeakPolarHBondContact O-CG 3.38Å; E766-Q770 PolarHBondContact O-N 3.25Å; Q770-F772 PolarHBondContact O-N 3.27Å; Q770-Y773 PolarHBondContact O-N 2.99Å; Q770-L774 WeakPolarHBondContact O-CB 3.33Å; Q770-L774 VanDerWaalsContact O-CG 3.24Å; Q770-L774 WeakPolarHBondContact O-CG 3.4Å; Q770-L774 PolarHBondContact O-N 3.5Å
771	R	90	Very high	88.2	Confident	55 Å²	55	40.7 Å²	40.7	21%	0.208	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-47.2	175.8	178	-178.2	148.6	-153.6	-26	111.6	L684 V687 N688 I691 E724 P767 L768 V769 Y773 L774 E775	L684-R771 HydrophobicContact CD1-CB 4.49Å; L684-R771 HydrophobicContact CD1-CG 3.82Å; V687-R771 HydrophobicContact CG1-CB 4.11Å; N688-R771 WeakPolarHBondContact OD1-CD 3.36Å; I691-R771 HydrophobicContact CD1-CB 4.13Å; E724-R771 IonicContact OE1-CZ 3.26Å; E724-R771 IonicContact OE1-NH1 2.78Å; E724-R771 PolarHBondContact OE1-NH1 2.89Å; E724-R771 IonicContact OE1-NH2 3.89Å; E724-R771 PolarHBondContact OE1-NH2 3.26Å; P767-R771 WeakPolarHBondContact O-CB 3.32Å; P767-R771 PolarHBondContact O-N 2.87Å; L768-R771 PolarHBondContact O-N 3.47Å; V769-R771 PolarHBondContact O-N 2.97Å; R771-Y773 PolarHBondContact O-N 3.49Å; R771-L774 PolarHBondContact O-N 2.97Å; R771-E775 HydrophobicContact CG-CG 4.4Å; R771-E775 WeakPolarHBondContact CG-OE1 3.36Å; R771-E775 IonicContact CZ-OE1 3.91Å; R771-E775 IonicContact NE-OE1 2.64Å; R771-E775 PolarHBondContact NE-OE1 3.01Å; R771-E775 IonicContact NH2-OE1 3.57Å; R771-E775 WeakPolarHBondContact O-CB 3.47Å; R771-E775 WeakPolarHBondContact O-CG 3.49Å; R771-E775 PolarHBondContact O-N 3.35Å
772	F	89.3	Confident	88.3	Confident	44 Å²	44	45.8 Å²	45.8	19%	0.193	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-47.2	179.1	174.1	-93.9	0	0	0	112	L727 P733 L768 V769 Q770 E775 R776	L727-F772 HydrophobicContact CB-CD2 4.06Å; L727-F772 HydrophobicContact CB-CE2 4.36Å; L727-F772 HydrophobicContact CB-CG 4.45Å; L727-F772 HydrophobicContact CD1-CB 4.17Å; P733-F772 HydrophobicContact CG-CD1 3.63Å; P733-F772 HydrophobicContact CG-CE1 3.72Å; L768-F772 WeakPolarHBondContact O-CB 3.46Å; L768-F772 PolarHBondContact O-N 3.49Å; V769-F772 WeakPolarHBondContact O-CB 3.45Å; V769-F772 PolarHBondContact O-N 2.81Å; Q770-F772 PolarHBondContact O-N 3.27Å; F772-E775 PolarHBondContact O-N 3.42Å; F772-R776 PolarHBondContact O-N 2.88Å
773	Y	88.3	Confident	88.2	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-40.4	178.1	-80.9	-62.2	0	0	0	112.8	Q568 H569 P733 V769 Q770 R771 R776 S777	Q568-Y773 HydrophobicContact CB-CD1 4.06Å; Q568-Y773 HydrophobicContact CB-CE1 4.33Å; Q568-Y773 HydrophobicContact CB-CG 4.2Å; Q568-Y773 HydrophobicContact CG-CD1 4.45Å; Q568-Y773 VanDerWaalsContact OE1-CB 3.26Å; H569-Y773 AromaticContact NE2-CE2 3.68Å; P733-Y773 WeakPolarHBondContact CD-OH 3.27Å; P733-Y773 HydrophobicContact CG-CE2 3.92Å; P733-Y773 WeakPolarHBondContact O-CE2 3.3Å; P733-Y773 PolarHBondContact O-OH 2.87Å; V769-Y773 HydrophobicContact CG1-CD2 3.59Å; V769-Y773 HydrophobicContact CG1-CE2 3.48Å; V769-Y773 VanDerWaalsContact CG1-CE2 3.48Å; V769-Y773 VanDerWaalsContact O-CD2 3.28Å; V769-Y773 WeakPolarHBondContact O-CD2 3.11Å; V769-Y773 PolarHBondContact O-N 3.46Å; Q770-Y773 PolarHBondContact O-N 2.99Å; R771-Y773 PolarHBondContact O-N 3.49Å; Y773-R776 WeakPolarHBondContact O-CB 3.28Å; Y773-R776 PolarHBondContact O-N 3.12Å; Y773-S777 PolarHBondContact O-N 3.45Å; Y773-S777 PolarHBondContact O-OG 3.5Å
774	L	90.5	Very high	88.2	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-41.2	175.5	-69.9	169.1	0	0	0	112.1	F560 V680 R683 L684 V687 Q770 R771 R776 S777 L778	F560-L774 HydrophobicContact CD1-CD2 4.33Å; F560-L774 HydrophobicContact CE1-CD2 3.87Å; V680-L774 HydrophobicContact CG1-CB 4.15Å; V680-L774 HydrophobicContact CG1-CD2 4.09Å; V680-L774 WeakPolarHBondContact CG1-O 3.36Å; V680-L774 HydrophobicContact CG2-CD2 4.48Å; R683-L774 HydrophobicContact CB-CD1 4.39Å; R683-L774 HydrophobicContact CB-CD2 4.37Å; R683-L774 HydrophobicContact CG-CD1 3.87Å; R683-L774 HydrophobicContact CG-CD2 4.19Å; L684-L774 HydrophobicContact CB-CB 4.44Å; L684-L774 HydrophobicContact CB-CD1 4.44Å; L684-L774 HydrophobicContact CD1-CB 4.05Å; L684-L774 HydrophobicContact CD1-CD1 4.47Å; V687-L774 HydrophobicContact CB-CD1 4.48Å; V687-L774 HydrophobicContact CG2-CD1 3.94Å; Q770-L774 WeakPolarHBondContact O-CB 3.33Å; Q770-L774 VanDerWaalsContact O-CG 3.24Å; Q770-L774 WeakPolarHBondContact O-CG 3.4Å; Q770-L774 PolarHBondContact O-N 3.5Å; R771-L774 PolarHBondContact O-N 2.97Å; L774-R776 VanDerWaalsContact C-N 3.3Å; L774-R776 PolarHBondContact O-N 2.74Å; L774-S777 PolarHBondContact O-N 2.85Å; L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 PolarHBondContact O-N 3.32Å
775	E	89.6	Confident	88.2	Confident	81 Å²	81	45 Å²	45	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-62.4	-39	174	-74.8	176.5	-175.7	0	0	111.4	L684 R771 F772 L778 F779	L684-E775 HydrophobicContact CD1-CG 4.12Å; L684-E775 HydrophobicContact CD2-CG 4.21Å; R771-E775 HydrophobicContact CG-CG 4.4Å; R771-E775 WeakPolarHBondContact CG-OE1 3.36Å; R771-E775 IonicContact CZ-OE1 3.91Å; R771-E775 IonicContact NE-OE1 2.64Å; R771-E775 PolarHBondContact NE-OE1 3.01Å; R771-E775 IonicContact NH2-OE1 3.57Å; R771-E775 WeakPolarHBondContact O-CB 3.47Å; R771-E775 WeakPolarHBondContact O-CG 3.49Å; R771-E775 PolarHBondContact O-N 3.35Å; F772-E775 PolarHBondContact O-N 3.42Å; E775-L778 PolarHBondContact O-N 3.03Å; E775-F779 PolarHBondContact O-N 2.69Å
776	R	86.6	Confident	87.9	Confident	77 Å²	77	52.7 Å²	52.7	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-46.2	174.8	-166.5	179.3	78.3	176.5	0.1	112.2	F772 Y773 L774 L778 F779 A780	F772-R776 PolarHBondContact O-N 2.88Å; Y773-R776 WeakPolarHBondContact O-CB 3.28Å; Y773-R776 PolarHBondContact O-N 3.12Å; L774-R776 VanDerWaalsContact C-N 3.3Å; L774-R776 PolarHBondContact O-N 2.74Å; R776-L778 VanDerWaalsContact C-N 3.27Å; R776-L778 PolarHBondContact O-N 2.82Å; R776-F779 PolarHBondContact O-N 2.92Å; R776-A780 WeakPolarHBondContact O-CB 3.46Å; R776-A780 PolarHBondContact O-N 3.17Å
777	S	88	Confident	87.5	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-38.9	174.7	-67.1	0	0	0	0	111.2	Y773 L774 A780 C781 E833	Y773-S777 PolarHBondContact O-N 3.45Å; Y773-S777 PolarHBondContact O-OG 3.5Å; L774-S777 PolarHBondContact O-N 2.85Å; S777-A780 PolarHBondContact O-N 2.9Å; S777-C781 PolarHBondContact O-N 3.16Å; S777-C781 PolarHBondContact O-SG 3.27Å; S777-E833 WeakPolarHBondContact CB-OE2 3.24Å; S777-E833 PolarHBondContact OG-OE1 3.44Å; S777-E833 PolarHBondContact OG-OE2 2.82Å
778	L	90.1	Very high	87.3	Confident	33 Å²	33	47.7 Å²	47.7	17%	0.173	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-41	176.5	-175.1	63.3	0	0	0	112.4	E677 V680 K681 L684 L774 E775 R776 C781	E677-L778 HydrophobicContact CG-CD1 3.83Å; V680-L778 HydrophobicContact CG1-CB 3.98Å; K681-L778 HydrophobicContact CD-CD1 4.43Å; K681-L778 HydrophobicContact CG-CD1 3.82Å; K681-L778 HydrophobicContact CG-CD2 4.38Å; L684-L778 HydrophobicContact CD2-CD2 4.35Å; L774-L778 WeakPolarHBondContact O-CB 3.31Å; L774-L778 PolarHBondContact O-N 3.32Å; E775-L778 PolarHBondContact O-N 3.03Å; R776-L778 VanDerWaalsContact C-N 3.27Å; R776-L778 PolarHBondContact O-N 2.82Å; L778-C781 WeakPolarHBondContact O-CB 3.3Å; L778-C781 PolarHBondContact O-N 3.26Å
779	F	87.2	Confident	86.9	Confident	126 Å²	126	54 Å²	54	55%	0.553	24%	0.239	S	C	*	.	H	α-helix	trans	-64.4	-44.3	172.7	-178.4	-99	0	0	0	111.2	E775 R776 C781 Q782 E783	E775-F779 PolarHBondContact O-N 2.69Å; R776-F779 PolarHBondContact O-N 2.92Å; F779-C781 VanDerWaalsContact C-N 3.26Å; F779-C781 PolarHBondContact O-N 3.38Å; F779-Q782 WeakPolarHBondContact O-CB 3.49Å; F779-Q782 PolarHBondContact O-N 2.57Å; F779-Q782 VanDerWaalsContact O-N 3.07Å; F779-E783 HydrophobicContact CE1-CG 4.27Å
780	A	85	Confident	86.5	Confident	27 Å²	27	58.2 Å²	58.2	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-34.4	177	0	0	0	0	0	112.5	R776 S777 Q782 E783 C784	R776-A780 WeakPolarHBondContact O-CB 3.46Å; R776-A780 PolarHBondContact O-N 3.17Å; S777-A780 PolarHBondContact O-N 2.9Å; A780-Q782 VanDerWaalsContact C-N 3.28Å; A780-Q782 PolarHBondContact O-N 3.48Å; A780-E783 PolarHBondContact O-N 3.02Å; A780-C784 VanDerWaalsContact O-CB 3.26Å; A780-C784 WeakPolarHBondContact O-CB 3.17Å; A780-C784 PolarHBondContact O-N 3Å; A780-C784 PolarHBondContact O-SG 3.17Å
781	C	88.1	Confident	86.1	Confident	1 Å²	1	58 Å²	58	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-40.7	174.5	-67.8	0	0	0	0	112.7	V673 L676 E677 S777 L778 F779 C784 R785	V673-C781 HydrophobicContact CG1-CB 4.28Å; V673-C781 WeakPolarHBondContact CG1-O 3.42Å; L676-C781 VanDerWaalsContact CD2-SG 3.52Å; L676-C781 VanDerWaalsContact CG-SG 3.53Å; E677-C781 HydrophobicContact CB-CB 4.29Å; S777-C781 PolarHBondContact O-N 3.16Å; S777-C781 PolarHBondContact O-SG 3.27Å; L778-C781 WeakPolarHBondContact O-CB 3.3Å; L778-C781 PolarHBondContact O-N 3.26Å; F779-C781 VanDerWaalsContact C-N 3.26Å; F779-C781 PolarHBondContact O-N 3.38Å; C781-C784 PolarHBondContact O-N 3.33Å; C781-R785 PolarHBondContact O-N 3.34Å
782	Q	86.4	Confident	85.5	Confident	110 Å²	110	62 Å²	62	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-40.6	-177.9	-62	-178.3	-7.7	0	0	111.4	F779 A780	F779-Q782 WeakPolarHBondContact O-CB 3.49Å; F779-Q782 PolarHBondContact O-N 2.57Å; F779-Q782 VanDerWaalsContact O-N 3.07Å; A780-Q782 VanDerWaalsContact C-N 3.28Å; A780-Q782 PolarHBondContact O-N 3.48Å
783	E	84.9	Confident	85	Confident	88 Å²	88	64.7 Å²	64.7	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-71.8	-45.8	176.1	-64.5	-55	131.5	0	0	111.4	F779 A780 R785 K786 P829	F779-E783 HydrophobicContact CE1-CG 4.27Å; A780-E783 PolarHBondContact O-N 3.02Å; E783-R785 PolarHBondContact O-N 3.32Å; E783-K786 PolarHBondContact O-N 3.39Å; E783-K786 VanDerWaalsContact O-N 3.12Å; E783-P829 HydrophobicContact CB-CB 3.78Å; E783-P829 HydrophobicContact CB-CG 4.4Å
784	C	87.2	Confident	84.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-21.2	179.9	-71.7	0	0	0	0	113.9	W669 A780 C781 K786 G787 C831 V834	W669-C784 PolarHBondContact NE1-O 3.49Å; A780-C784 VanDerWaalsContact O-CB 3.26Å; A780-C784 WeakPolarHBondContact O-CB 3.17Å; A780-C784 PolarHBondContact O-N 3Å; A780-C784 PolarHBondContact O-SG 3.17Å; C781-C784 PolarHBondContact O-N 3.33Å; C784-K786 PolarHBondContact O-N 3.47Å; C784-G787 WeakPolarHBondContact O-CA 3.37Å; C784-G787 PolarHBondContact O-N 2.8Å; C784-C831 WeakPolarHBondContact CA-SG 3.29Å; C784-C831 HydrophobicContact CB-CB 3.94Å; C784-C831 WeakPolarHBondContact CB-SG 3.42Å; C784-C831 WeakPolarHBondContact SG-CA 3.47Å; C784-C831 WeakPolarHBondContact SG-CB 3.5Å; C784-C831 CovalentContact SG-SG 2.04Å; C784-C831 PolarHBondContact SG-SG 3.19Å; C784-V834 HydrophobicContact CB-CG2 3.74Å
785	R	87.8	Confident	82.6	Confident	110 Å²	110	69.3 Å²	69.3	42%	0.415	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.3	173.3	-158.8	175	-167.5	122.8	14	112.7	V673 D674 E677 C781 E783	V673-R785 HydrophobicContact CG1-CB 4.22Å; V673-R785 HydrophobicContact CG1-CG 4.4Å; D674-R785 IonicContact OD1-CZ 3.74Å; D674-R785 VanDerWaalsContact OD1-CZ 3.26Å; D674-R785 IonicContact OD1-NH1 3.9Å; D674-R785 PolarHBondContact OD1-NH1 3.37Å; D674-R785 VanDerWaalsContact OD1-NH1 3.17Å; D674-R785 IonicContact OD1-NH2 2.71Å; D674-R785 PolarHBondContact OD1-NH2 3.44Å; D674-R785 IonicContact OD2-NH2 2.8Å; E677-R785 IonicContact OE2-NH1 3.79Å; C781-R785 PolarHBondContact O-N 3.34Å; E783-R785 PolarHBondContact O-N 3.32Å
786	K	82.6	Confident	81	Confident	165 Å²	165	66.6 Å²	66.6	72%	0.717	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.4	174.4	-60.9	173.8	-172.5	166.5	0	112.5	E783 C784 F788	E783-K786 PolarHBondContact O-N 3.39Å; E783-K786 VanDerWaalsContact O-N 3.12Å; C784-K786 PolarHBondContact O-N 3.47Å; K786-F788 VanDerWaalsContact C-N 3.35Å; K786-F788 PolarHBondContact O-N 3.29Å
787	G	81.6	Confident	79.2	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-12.9	-170.9	0	0	0	0	0	116.7	C784 Y789 Y790 Y791	C784-G787 WeakPolarHBondContact O-CA 3.37Å; C784-G787 PolarHBondContact O-N 2.8Å; G787-Y789 VanDerWaalsContact C-N 3.27Å; G787-Y789 PolarHBondContact O-N 2.92Å; G787-Y790 PolarHBondContact O-N 2.92Å; G787-Y791 PolarHBondContact O-N 2.84Å
788	F	84	Confident	77	Confident	23 Å²	23	69.9 Å²	69.9	10%	0.101	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-37.9	-174.7	-178.2	-107.6	0	0	0	113.3	K666 W669 K786 Y790 Y791 Q792	K666-F788 HydrophobicContact CB-CD1 3.68Å; K666-F788 HydrophobicContact CB-CE1 3.76Å; K666-F788 HydrophobicContact CB-CG 4.18Å; K666-F788 HydrophobicContact CB-CZ 4.3Å; K666-F788 HydrophobicContact CD-CD1 4.46Å; K666-F788 HydrophobicContact CG-CB 4.46Å; K666-F788 HydrophobicContact CG-CD1 3.94Å; K666-F788 HydrophobicContact CG-CG 4.22Å; K666-F788 VanDerWaalsContact N-CZ 3.34Å; W669-F788 HydrophobicContact CB-CB 4.34Å; W669-F788 HydrophobicContact CB-CD2 3.5Å; W669-F788 VanDerWaalsContact CB-CD2 3.5Å; W669-F788 HydrophobicContact CB-CE2 4.17Å; W669-F788 HydrophobicContact CB-CG 4.2Å; W669-F788 HydrophobicContact CD2-CB 4.25Å; W669-F788 AromaticContact CD2-CD2 3.94Å; W669-F788 HydrophobicContact CD2-CD2 3.94Å; W669-F788 HydrophobicContact CE3-CD2 4.14Å; W669-F788 HydrophobicContact CG-CB 3.86Å; W669-F788 AromaticContact CG-CD2 3.67Å; W669-F788 HydrophobicContact CG-CD2 3.67Å; W669-F788 HydrophobicContact CG-CG 4.18Å; K786-F788 VanDerWaalsContact C-N 3.35Å; K786-F788 PolarHBondContact O-N 3.29Å; F788-Y790 PolarHBondContact O-N 3.33Å; F788-Y791 HydrophobicContact CE2-CD1 4.47Å; F788-Y791 WeakPolarHBondContact O-CB 3.26Å; F788-Y791 PolarHBondContact O-N 2.87Å; F788-Q792 PolarHBondContact O-N 3.08Å
789	Y	79.6	Confident	74.6	Confident	138 Å²	138	71.7 Å²	71.7	54%	0.541	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-45.9	175.8	177	-97.7	0	0	0	111.6	G787 Y791 Q792 H793	G787-Y789 VanDerWaalsContact C-N 3.27Å; G787-Y789 PolarHBondContact O-N 2.92Å; Y789-Y791 VanDerWaalsContact C-N 3.33Å; Y789-Y791 PolarHBondContact O-N 3.38Å; Y789-Q792 PolarHBondContact O-N 3.26Å; Y789-H793 AromaticContact CD2-CD2 3.72Å; Y789-H793 AromaticContact CD2-NE2 3.73Å; Y789-H793 AromaticContact CE1-CD2 3.69Å; Y789-H793 AromaticContact CE2-CD2 3.35Å; Y789-H793 WeakPolarHBondContact CE2-CD2 3.3Å; Y789-H793 AromaticContact CE2-NE2 3.03Å; Y789-H793 WeakPolarHBondContact CE2-NE2 3.45Å; Y789-H793 AromaticContact CZ-CD2 3.31Å; Y789-H793 AromaticContact CZ-NE2 3.27Å; Y789-H793 VanDerWaalsContact CZ-NE2 3.27Å; Y789-H793 PolarHBondContact O-CD2 3.1Å; Y789-H793 VanDerWaalsContact O-CD2 3.23Å; Y789-H793 PolarHBondContact O-N 3.5Å; Y789-H793 PolarHBondContact OH-NE2 2.85Å
790	Y	80.3	Confident	72.3	Confident	91 Å²	91	71 Å²	71	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-34.5	179.1	-57.6	-64.8	0	0	0	112.5	G787 F788 G794 F795 F828	G787-Y790 PolarHBondContact O-N 2.92Å; F788-Y790 PolarHBondContact O-N 3.33Å; Y790-G794 PolarHBondContact O-N 3.36Å; Y790-F795 HydrophobicContact CD1-CD2 4.36Å; Y790-F795 PolarHBondContact O-N 2.95Å; Y790-F828 HydrophobicContact CD1-CD1 4.04Å; Y790-F828 AromaticContact CD1-CE1 3.85Å; Y790-F828 HydrophobicContact CD1-CE1 3.85Å; Y790-F828 HydrophobicContact CE1-CD1 4.43Å; Y790-F828 HydrophobicContact CE1-CE1 4.1Å; Y790-F828 HydrophobicContact CG-CD1 4.28Å
791	Y	81.1	Confident	69.7	Low	36 Å²	36	75.3 Å²	75.3	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-50.8	173.2	178.7	-100.1	0	0	0	111.8	H661 T662 V663 W669 G787 F788 Y789 H793 G794 L796 I835	H661-Y791 PolarHBondContact O-OH 3.09Å; T662-Y791 VanDerWaalsContact CA-OH 3.31Å; T662-Y791 WeakPolarHBondContact CA-OH 3.43Å; V663-Y791 HydrophobicContact CB-CD1 4.42Å; V663-Y791 HydrophobicContact CB-CE1 3.72Å; V663-Y791 HydrophobicContact CG2-CE1 4.33Å; V663-Y791 PolarHBondContact N-OH 3.26Å; V663-Y791 WeakPolarHBondContact O-CE1 3.4Å; W669-Y791 HydrophobicContact CE3-CD1 4.24Å; W669-Y791 HydrophobicContact CE3-CD2 4.5Å; W669-Y791 HydrophobicContact CE3-CG 4.09Å; W669-Y791 HydrophobicContact CH2-CD2 4.04Å; W669-Y791 HydrophobicContact CH2-CG 4.06Å; W669-Y791 HydrophobicContact CZ3-CD1 4.04Å; W669-Y791 AromaticContact CZ3-CD2 3.55Å; W669-Y791 HydrophobicContact CZ3-CD2 3.55Å; W669-Y791 HydrophobicContact CZ3-CE2 4.12Å; W669-Y791 AromaticContact CZ3-CG 3.48Å; W669-Y791 HydrophobicContact CZ3-CG 3.48Å; W669-Y791 VanDerWaalsContact CZ3-CG 3.48Å; G787-Y791 PolarHBondContact O-N 2.84Å; F788-Y791 HydrophobicContact CE2-CD1 4.47Å; F788-Y791 WeakPolarHBondContact O-CB 3.26Å; F788-Y791 PolarHBondContact O-N 2.87Å; Y789-Y791 VanDerWaalsContact C-N 3.33Å; Y789-Y791 PolarHBondContact O-N 3.38Å; Y791-H793 VanDerWaalsContact C-N 3.3Å; Y791-H793 PolarHBondContact O-N 3.05Å; Y791-G794 PolarHBondContact O-N 3.15Å; Y791-L796 HydrophobicContact CD2-CD1 3.94Å; Y791-L796 HydrophobicContact CG-CD1 4.32Å; Y791-I835 HydrophobicContact CD2-CD1 4.18Å; Y791-I835 HydrophobicContact CD2-CG1 4.48Å; Y791-I835 HydrophobicContact CE2-CD1 3.73Å; Y791-I835 HydrophobicContact CE2-CG1 4.03Å
792	Q	78.4	Confident	67.1	Low	138 Å²	138	82.9 Å²	82.9	65%	0.645	39%	0.391	S	S	*	.	H	α-helix	trans	-64.2	-33.6	-176.1	-170.7	179.5	-8.2	0	0	112.9	F788 Y789 G794	F788-Q792 PolarHBondContact O-N 3.08Å; Y789-Q792 PolarHBondContact O-N 3.26Å; Q792-G794 PolarHBondContact O-N 2.74Å
793	H	77.7	Confident	64.7	Low	101 Å²	101	81.9 Å²	81.9	47%	0.468	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.1	175.3	-73.4	-66.5	0	0	0	114	Y789 Y791 F795	Y789-H793 AromaticContact CD2-CD2 3.72Å; Y789-H793 AromaticContact CD2-NE2 3.73Å; Y789-H793 AromaticContact CE1-CD2 3.69Å; Y789-H793 AromaticContact CE2-CD2 3.35Å; Y789-H793 WeakPolarHBondContact CE2-CD2 3.3Å; Y789-H793 AromaticContact CE2-NE2 3.03Å; Y789-H793 WeakPolarHBondContact CE2-NE2 3.45Å; Y789-H793 AromaticContact CZ-CD2 3.31Å; Y789-H793 AromaticContact CZ-NE2 3.27Å; Y789-H793 VanDerWaalsContact CZ-NE2 3.27Å; Y789-H793 PolarHBondContact O-CD2 3.1Å; Y789-H793 VanDerWaalsContact O-CD2 3.23Å; Y789-H793 PolarHBondContact O-N 3.5Å; Y789-H793 PolarHBondContact OH-NE2 2.85Å; Y791-H793 VanDerWaalsContact C-N 3.3Å; Y791-H793 PolarHBondContact O-N 3.05Å; H793-F795 HydrophobicContact CB-CD2 3.49Å; H793-F795 VanDerWaalsContact CB-CD2 3.49Å; H793-F795 HydrophobicContact CB-CE2 3.46Å; H793-F795 VanDerWaalsContact CB-CE2 3.46Å; H793-F795 PolarHBondContact O-N 2.98Å
794	G	69.7	Low	62.1	Low	22 Å²	22	81 Å²	81	23%	0.227	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	3.7	176.7	0	0	0	0	0	114.8	Y790 Y791 Q792 L796 N797 T798	Y790-G794 PolarHBondContact O-N 3.36Å; Y791-G794 PolarHBondContact O-N 3.15Å; Q792-G794 PolarHBondContact O-N 2.74Å; G794-L796 PolarHBondContact O-N 2.99Å; G794-N797 PolarHBondContact O-N 3.25Å; G794-T798 VanDerWaalsContact O-CG2 3.23Å; G794-T798 WeakPolarHBondContact O-CG2 3.22Å; G794-T798 PolarHBondContact O-N 2.91Å
795	F	59.2	Low	59.3	Low	83 Å²	83	87.5 Å²	87.5	36%	0.364	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.3	-178	-71.4	-69.5	0	0	0	112.8	Y790 H793 N797 T798 F828	Y790-F795 HydrophobicContact CD1-CD2 4.36Å; Y790-F795 PolarHBondContact O-N 2.95Å; H793-F795 HydrophobicContact CB-CD2 3.49Å; H793-F795 VanDerWaalsContact CB-CD2 3.49Å; H793-F795 HydrophobicContact CB-CE2 3.46Å; H793-F795 VanDerWaalsContact CB-CE2 3.46Å; H793-F795 PolarHBondContact O-N 2.98Å; F795-N797 VanDerWaalsContact C-N 3.33Å; F795-N797 PolarHBondContact O-N 2.95Å; F795-T798 WeakPolarHBondContact CA-OG1 3.27Å; F795-T798 PolarHBondContact O-N 2.89Å; F795-T798 PolarHBondContact O-OG1 3.4Å; F795-F828 HydrophobicContact CB-CD1 4.38Å; F795-F828 HydrophobicContact CB-CE1 4.14Å; F795-F828 HydrophobicContact CB-CZ 4.43Å; F795-F828 HydrophobicContact CD1-CE1 4.47Å; F795-F828 HydrophobicContact CD1-CZ 4.13Å; F795-F828 HydrophobicContact CG-CE1 4.26Å; F795-F828 HydrophobicContact CG-CZ 4.38Å
796	L	55.3	Low	56.7	Low	24 Å²	24	85.3 Å²	85.3	13%	0.126	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.3	174.9	-64.3	178.6	0	0	0	113.6	W669 Y791 G794 P829 C831	W669-L796 HydrophobicContact CH2-CD1 3.9Å; Y791-L796 HydrophobicContact CD2-CD1 3.94Å; Y791-L796 HydrophobicContact CG-CD1 4.32Å; G794-L796 PolarHBondContact O-N 2.99Å; L796-P829 WeakPolarHBondContact CD2-O 3.23Å; L796-C831 HydrophobicContact CD1-CB 4.07Å
797	N	48.3	Very low	54.3	Low	80 Å²	80	83.8 Å²	83.8	43%	0.428	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-19.8	175.1	-73.5	-8	0	0	0	112.5	G794 F795 S799 F800	G794-N797 PolarHBondContact O-N 3.25Å; F795-N797 VanDerWaalsContact C-N 3.33Å; F795-N797 PolarHBondContact O-N 2.95Å; N797-S799 PolarHBondContact O-N 2.8Å; N797-F800 WeakPolarHBondContact O-CB 3.09Å; N797-F800 PolarHBondContact O-N 3.31Å
798	T	42.8	Very low	51.9	Low	69 Å²	69	92.4 Å²	92.4	42%	0.423	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-66.4	-3.6	-172.9	54.8	0	0	0	0	115.9	G794 F795 F800 N801	G794-T798 VanDerWaalsContact O-CG2 3.23Å; G794-T798 WeakPolarHBondContact O-CG2 3.22Å; G794-T798 PolarHBondContact O-N 2.91Å; F795-T798 WeakPolarHBondContact CA-OG1 3.27Å; F795-T798 PolarHBondContact O-N 2.89Å; F795-T798 PolarHBondContact O-OG1 3.4Å; T798-F800 PolarHBondContact O-N 3.48Å; T798-N801 PolarHBondContact O-N 2.78Å
799	S	40.6	Very low	49.2	Very low	72 Å²	72	100.2 Å²	100.2	50%	0.503	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-61.5	-18.9	163.5	-50	0	0	0	0	112.9	I573 N797	I573-S799 WeakPolarHBondContact CD1-OG 3.31Å; N797-S799 PolarHBondContact O-N 2.8Å
800	F	37.6	Very low	46.8	Very low	112 Å²	112	100.6 Å²	100.6	49%	0.491	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-71.2	-28.8	177.2	-98.6	-91.2	0	0	0	115	N797 T798	N797-F800 WeakPolarHBondContact O-CB 3.09Å; N797-F800 PolarHBondContact O-N 3.31Å; T798-F800 PolarHBondContact O-N 3.48Å
801	N	30	Very low	44.5	Very low	117 Å²	117	101 Å²	101	63%	0.626	54%	0.542	S	S	*	.	S	Bend	trans	-102.2	-2.6	-166.9	-88.3	-3.6	0	0	0	115.4	T798	T798-N801 PolarHBondContact O-N 2.78Å
802	K	35	Very low	42	Very low	159 Å²	159	107 Å²	107	69%	0.691	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-14.7	176	-77.3	-172.6	178.8	176.6	0	114.2
803	S	34.5	Very low	39.6	Very low	90 Å²	90	104.6 Å²	104.6	63%	0.629	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-22.3	178	41.5	0	0	0	0	113.8
804	S	30.7	Very low	37.5	Very low	70 Å²	70	104.3 Å²	104.3	49%	0.49	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-36.3	-179.2	36.3	0	0	0	0	114
805	N	28.1	Very low	35.7	Very low	136 Å²	136	112 Å²	112	73%	0.727	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-94.2	3.4	-178.7	-78	0.8	0	0	0	115	N807	N805-N807 VanDerWaalsContact C-N 3.29Å; N805-N807 PolarHBondContact O-N 2.63Å
806	A	33.2	Very low	34.3	Very low	64 Å²	64	117.3 Å²	117.3	53%	0.529	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-79.5	-8.3	178.6	0	0	0	0	0	114
807	N	32.5	Very low	33.1	Very low	133 Å²	133	120.1 Å²	120.1	71%	0.711	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-87.4	-6	-177.2	-77.4	-13	0	0	0	114.9	N805	N805-N807 VanDerWaalsContact C-N 3.29Å; N805-N807 PolarHBondContact O-N 2.63Å
808	E	31.2	Very low	32.2	Very low	183 Å²	183	128.5 Å²	128.5	86%	0.855	70%	0.699	S	S	*	*	S	Bend	trans	-107.2	1.6	-175.7	-93.4	-173.8	167.9	0	0	116.4
809	Q	27.3	Very low	31.4	Very low	187 Å²	187	133 Å²	133	87%	0.874	72%	0.72	S	S	*	*			trans	-128.2	62	173.3	-70.1	-173.4	-10.3	0	0	111.7
810	I	29.4	Very low	30.7	Very low	146 Å²	146	139.6 Å²	139.6	75%	0.749	73%	0.733	S	S	*	*			trans	-95.9	87	162.4	-57.7	175.2	0	0	0	107.4
811	S	31.1	Very low	30.2	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	75%	0.749	S	S	*	*	S	Bend	trans	-171.3	129.7	147.9	41.1	0	0	0	0	109.5
812	N	29.3	Very low	30.1	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	76%	0.758	S	S	*	*	S	Bend	trans	80.7	65	165	-50.4	-18.9	0	0	0	118.1
813	A	29	Very low	29.9	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	75%	0.745	S	S	*	*			trans	-168.8	61.2	145.5	0	0	0	0	0	110.9	E815	A813-E815 PolarHBondContact O-N 3Å
814	A	33.1	Very low	29.7	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	75%	0.745	S	S	*	*			trans	-81	110.3	163.3	0	0	0	0	0	107.5
815	E	32.3	Very low	30.2	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	76%	0.757	S	S	*	*	S	Bend	trans	158.7	-5.5	143	-85.7	176.4	171.7	0	0	115.4	A813	A813-E815 PolarHBondContact O-N 3Å
816	H	28.5	Very low	31.2	Very low	195 Å²	195	140.9 Å²	140.9	90%	0.903	75%	0.75	S	S	*	*	S	Bend	trans	-124.5	11.7	177.6	-91.1	-62.4	0	0	0	117.8
817	S	29.9	Very low	32	Very low	84 Å²	84	143.8 Å²	143.8	59%	0.587	76%	0.757	S	S	*	*			trans	-109.3	7.7	-175	54.4	0	0	0	0	116.6	L819	S817-L819 PolarHBondContact O-N 3.38Å
818	R	30.2	Very low	33.4	Very low	255 Å²	255	141.6 Å²	141.6	96%	0.962	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-0.3	179	-76.4	-172.2	178.3	172.7	1.3	115.7
819	L	25.9	Very low	35.1	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	4.4	-173.6	-95	160.2	0	0	0	116.9	S817	S817-L819 PolarHBondContact O-N 3.38Å
820	R	25.7	Very low	37.4	Very low	209 Å²	209	129.2 Å²	129.2	79%	0.789	69%	0.689	S	S	*	*			trans	-150.9	59	176.5	-73.5	-167.1	179.8	175.7	-0.9	114.6
821	K	27.4	Very low	40.1	Very low	188 Å²	188	122.4 Å²	122.4	82%	0.817	65%	0.654	S	S	*	*	S	Bend	trans	-97	-21.6	162.2	-87.7	-172.8	175.4	-176.8	0	113.8
822	D	28.4	Very low	42.7	Very low	153 Å²	153	119.2 Å²	119.2	82%	0.818	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	2.1	-173.7	-66.4	-19.7	0	0	0	115.5
823	S	30.8	Very low	45.5	Very low	60 Å²	60	112.6 Å²	112.6	42%	0.42	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	12.5	-174.2	69.8	0	0	0	0	115.3
824	L	30.6	Very low	48.4	Very low	121 Å²	121	108.5 Å²	108.5	63%	0.634	56%	0.557	S	S	*	*	S	Bend	trans	-111.7	-0.6	176.8	-124.8	90.7	0	0	0	114.2
825	S	41.2	Very low	51	Low	105 Å²	105	104.8 Å²	104.8	73%	0.734	52%	0.523	S	S	*	.	S	Bend	trans	-92.7	-5.4	176.3	55	0	0	0	0	113.7
826	S	47.6	Very low	53.9	Low	85 Å²	85	96.2 Å²	96.2	59%	0.594	48%	0.484	S	S	*	.	S	Bend	trans	-100.2	-6.8	-169.9	62.3	0	0	0	0	116.3	F828	S826-F828 PolarHBondContact O-N 3.41Å
827	D	51.4	Low	57	Low	124 Å²	124	87 Å²	87	66%	0.663	44%	0.441	S	S	*	.	S	Bend	trans	-83.1	-11.7	-170.4	-75.7	-6.8	0	0	0	114.2
828	F	61.4	Low	59.9	Low	88 Å²	88	83.1 Å²	83.1	39%	0.386	41%	0.414	S	S	.	.	S	Bend	trans	-114.2	129	-178.3	-59.3	-73.3	0	0	0	111.5	Y790 F795 S826 D830	Y790-F828 HydrophobicContact CD1-CD1 4.04Å; Y790-F828 AromaticContact CD1-CE1 3.85Å; Y790-F828 HydrophobicContact CD1-CE1 3.85Å; Y790-F828 HydrophobicContact CE1-CD1 4.43Å; Y790-F828 HydrophobicContact CE1-CE1 4.1Å; Y790-F828 HydrophobicContact CG-CD1 4.28Å; F795-F828 HydrophobicContact CB-CD1 4.38Å; F795-F828 HydrophobicContact CB-CE1 4.14Å; F795-F828 HydrophobicContact CB-CZ 4.43Å; F795-F828 HydrophobicContact CD1-CE1 4.47Å; F795-F828 HydrophobicContact CD1-CZ 4.13Å; F795-F828 HydrophobicContact CG-CE1 4.26Å; F795-F828 HydrophobicContact CG-CZ 4.38Å; S826-F828 PolarHBondContact O-N 3.41Å; F828-D830 PolarHBondContact O-N 3.48Å
829	P	67.4	Low	63	Low	32 Å²	32	71.3 Å²	71.3	21%	0.208	37%	0.369	C	S	.	.			trans	-65	133.5	176.4	26.5	-32.7	0	0	0	110.5	E783 L796 C831	E783-P829 HydrophobicContact CB-CB 3.78Å; E783-P829 HydrophobicContact CB-CG 4.4Å; L796-P829 WeakPolarHBondContact CD2-O 3.23Å; P829-C831 PolarHBondContact O-N 2.98Å; P829-C831 VanDerWaalsContact O-N 3.08Å; P829-C831 PolarHBondContact O-SG 2.93Å; P829-C831 VanDerWaalsContact O-SG 3.34Å
830	D	75.8	Confident	66.2	Low	78 Å²	78	63.4 Å²	63.4	42%	0.417	33%	0.328	S	S	.	.			trans	-72.5	98.3	176.1	179.9	9	0	0	0	110.4	F828 R832	F828-D830 PolarHBondContact O-N 3.48Å; D830-R832 VanDerWaalsContact CG-NE 3.3Å; D830-R832 WeakPolarHBondContact OD1-CD 3.17Å; D830-R832 VanDerWaalsContact OD1-CG 3.23Å; D830-R832 WeakPolarHBondContact OD1-CG 3.19Å; D830-R832 PolarHBondContact OD1-N 3.42Å; D830-R832 IonicContact OD1-NE 3.96Å; D830-R832 PolarHBondContact OD1-NE 3.46Å; D830-R832 VanDerWaalsContact OD1-NE 3.11Å; D830-R832 IonicContact OD2-CZ 2.76Å; D830-R832 IonicContact OD2-NE 3.22Å; D830-R832 PolarHBondContact OD2-NE 2.98Å; D830-R832 IonicContact OD2-NH2 2.7Å; D830-R832 PolarHBondContact OD2-NH2 3.3Å
831	C	84.8	Confident	69.5	Low	3 Å²	3	54.6 Å²	54.6	2%	0.02	30%	0.297	C	S	.	.			trans	-104.4	24.7	-175.8	-56.6	0	0	0	0	113.8	W669 C784 L796 P829 E833 V834 I835	W669-C831 HydrophobicContact CH2-CB 3.82Å; W669-C831 HydrophobicContact CZ2-CB 3.82Å; C784-C831 WeakPolarHBondContact CA-SG 3.29Å; C784-C831 HydrophobicContact CB-CB 3.94Å; C784-C831 WeakPolarHBondContact CB-SG 3.42Å; C784-C831 WeakPolarHBondContact SG-CA 3.47Å; C784-C831 WeakPolarHBondContact SG-CB 3.5Å; C784-C831 CovalentContact SG-SG 2.04Å; C784-C831 PolarHBondContact SG-SG 3.19Å; L796-C831 HydrophobicContact CD1-CB 4.07Å; P829-C831 PolarHBondContact O-N 2.98Å; P829-C831 VanDerWaalsContact O-N 3.08Å; P829-C831 PolarHBondContact O-SG 2.93Å; P829-C831 VanDerWaalsContact O-SG 3.34Å; C831-E833 VanDerWaalsContact C-N 3.31Å; C831-E833 PolarHBondContact O-N 3.31Å; C831-V834 HydrophobicContact CB-CB 4.36Å; C831-V834 HydrophobicContact CB-CG2 4.17Å; C831-V834 WeakPolarHBondContact O-CB 3.36Å; C831-V834 PolarHBondContact O-N 2.87Å; C831-V834 VanDerWaalsContact O-N 3.12Å; C831-I835 PolarHBondContact O-N 2.83Å
832	R	86.3	Confident	72.6	Confident	30 Å²	30	47.8 Å²	47.8	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-36.7	179.6	66.8	-175	136.7	171.9	-9.7	113.7	I570 F576 D830 V834 I835 L836	I570-R832 PolarHBondContact O-NH1 3.38Å; F576-R832 HydrophobicContact CD1-CB 4.1Å; F576-R832 HydrophobicContact CD1-CG 4.19Å; F576-R832 HydrophobicContact CE1-CB 3.67Å; F576-R832 HydrophobicContact CE1-CG 3.72Å; F576-R832 HydrophobicContact CE2-CG 4.1Å; F576-R832 HydrophobicContact CZ-CB 4.12Å; F576-R832 HydrophobicContact CZ-CG 3.66Å; D830-R832 VanDerWaalsContact CG-NE 3.3Å; D830-R832 WeakPolarHBondContact OD1-CD 3.17Å; D830-R832 VanDerWaalsContact OD1-CG 3.23Å; D830-R832 WeakPolarHBondContact OD1-CG 3.19Å; D830-R832 PolarHBondContact OD1-N 3.42Å; D830-R832 IonicContact OD1-NE 3.96Å; D830-R832 PolarHBondContact OD1-NE 3.46Å; D830-R832 VanDerWaalsContact OD1-NE 3.11Å; D830-R832 IonicContact OD2-CZ 2.76Å; D830-R832 IonicContact OD2-NE 3.22Å; D830-R832 PolarHBondContact OD2-NE 2.98Å; D830-R832 IonicContact OD2-NH2 2.7Å; D830-R832 PolarHBondContact OD2-NH2 3.3Å; R832-V834 VanDerWaalsContact C-N 3.25Å; R832-V834 PolarHBondContact O-N 3.47Å; R832-I835 PolarHBondContact O-N 3.24Å; R832-L836 PolarHBondContact O-N 3.4Å; R832-L836 VanDerWaalsContact O-N 3.15Å
833	E	88.2	Confident	75.8	Confident	23 Å²	23	40.5 Å²	40.5	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-32.5	176.2	-66.3	-179.7	177.9	0	0	111.4	L676 S777 C831 L836 F837	L676-E833 HydrophobicContact CD1-CB 4.33Å; L676-E833 HydrophobicContact CD2-CB 3.81Å; S777-E833 WeakPolarHBondContact CB-OE2 3.24Å; S777-E833 PolarHBondContact OG-OE1 3.44Å; S777-E833 PolarHBondContact OG-OE2 2.82Å; C831-E833 VanDerWaalsContact C-N 3.31Å; C831-E833 PolarHBondContact O-N 3.31Å; E833-L836 PolarHBondContact O-N 3.38Å; E833-F837 WeakPolarHBondContact O-CB 3.4Å; E833-F837 VanDerWaalsContact O-CD2 3.3Å; E833-F837 WeakPolarHBondContact O-CD2 3.25Å; E833-F837 PolarHBondContact O-N 2.87Å
834	V	89.6	Confident	78.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-39	176.9	-177.3	0	0	0	0	111.3	W669 A672 V673 L676 C784 C831 R832 F837 S838	W669-V834 HydrophobicContact CD2-CG1 3.95Å; W669-V834 HydrophobicContact CE3-CG1 4.14Å; W669-V834 HydrophobicContact CH2-CB 4.25Å; W669-V834 HydrophobicContact CH2-CG1 4.06Å; W669-V834 HydrophobicContact CZ2-CB 4.22Å; W669-V834 HydrophobicContact CZ2-CG1 3.87Å; W669-V834 HydrophobicContact CZ3-CG1 4.18Å; A672-V834 HydrophobicContact CB-CG1 4.02Å; V673-V834 HydrophobicContact CG2-CB 4.41Å; V673-V834 HydrophobicContact CG2-CG1 3.59Å; V673-V834 HydrophobicContact CG2-CG2 3.86Å; L676-V834 HydrophobicContact CD2-CG2 4.09Å; C784-V834 HydrophobicContact CB-CG2 3.74Å; C831-V834 HydrophobicContact CB-CB 4.36Å; C831-V834 HydrophobicContact CB-CG2 4.17Å; C831-V834 WeakPolarHBondContact O-CB 3.36Å; C831-V834 PolarHBondContact O-N 2.87Å; C831-V834 VanDerWaalsContact O-N 3.12Å; R832-V834 VanDerWaalsContact C-N 3.25Å; R832-V834 PolarHBondContact O-N 3.47Å; V834-F837 PolarHBondContact O-N 2.98Å; V834-S838 WeakPolarHBondContact O-CB 3.3Å; V834-S838 PolarHBondContact O-N 3.44Å
835	I	88.9	Confident	81.8	Confident	17 Å²	17	35.6 Å²	35.6	9%	0.087	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-45.1	176	-60	170.9	0	0	0	110.1	W669 Y791 C831 R832 F837 S838 R839	W669-I835 HydrophobicContact CZ3-CG1 4.27Å; Y791-I835 HydrophobicContact CD2-CD1 4.18Å; Y791-I835 HydrophobicContact CD2-CG1 4.48Å; Y791-I835 HydrophobicContact CE2-CD1 3.73Å; Y791-I835 HydrophobicContact CE2-CG1 4.03Å; C831-I835 PolarHBondContact O-N 2.83Å; R832-I835 PolarHBondContact O-N 3.24Å; I835-F837 PolarHBondContact O-N 2.93Å; I835-S838 WeakPolarHBondContact O-CB 3.32Å; I835-S838 PolarHBondContact O-N 3.03Å; I835-R839 WeakPolarHBondContact O-CG 3.4Å; I835-R839 PolarHBondContact O-N 2.99Å
836	L	91.5	Very high	84.3	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-47.9	173.8	172.5	57.3	0	0	0	111.5	I563 V580 L584 R832 E833 S838 R839 L840	I563-L836 HydrophobicContact CG2-CD2 3.94Å; V580-L836 HydrophobicContact CG1-CD1 3.67Å; V580-L836 HydrophobicContact CG1-CD2 4.31Å; V580-L836 HydrophobicContact CG1-CG 4.47Å; L584-L836 HydrophobicContact CD1-CD1 3.82Å; L584-L836 HydrophobicContact CD2-CD1 4.42Å; L584-L836 HydrophobicContact CG-CD1 4.49Å; R832-L836 PolarHBondContact O-N 3.4Å; R832-L836 VanDerWaalsContact O-N 3.15Å; E833-L836 PolarHBondContact O-N 3.38Å; L836-S838 VanDerWaalsContact C-N 3.3Å; L836-S838 PolarHBondContact O-N 2.89Å; L836-R839 WeakPolarHBondContact O-CB 3.24Å; L836-R839 PolarHBondContact O-N 3.27Å; L836-R839 VanDerWaalsContact O-N 3.14Å; L836-L840 HydrophobicContact CD1-CD1 4.15Å; L836-L840 HydrophobicContact CD1-CG 4.13Å; L836-L840 HydrophobicContact CG-CD1 4.08Å; L836-L840 HydrophobicContact CG-CG 4.49Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 3.41Å
837	F	93.8	Very high	86.6	Confident	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-29.1	179.4	-90	-110.3	0	0	0	113.1	W552 I564 L675 L676 A679 E833 V834 I835 L840 N841	W552-F837 AromaticContact CH2-CE1 3.98Å; W552-F837 HydrophobicContact CH2-CE1 3.98Å; I564-F837 HydrophobicContact CD1-CE2 3.43Å; I564-F837 VanDerWaalsContact CD1-CE2 3.43Å; I564-F837 HydrophobicContact CD1-CZ 3.47Å; I564-F837 VanDerWaalsContact CD1-CZ 3.47Å; I564-F837 HydrophobicContact CG1-CE2 4.15Å; L675-F837 HydrophobicContact CB-CD1 4.45Å; L675-F837 HydrophobicContact CD2-CD1 3.32Å; L675-F837 HydrophobicContact CD2-CE1 3.6Å; L675-F837 HydrophobicContact CG-CD1 4.46Å; L676-F837 VanDerWaalsContact CA-CD1 3.42Å; L676-F837 HydrophobicContact CB-CB 4.21Å; L676-F837 HydrophobicContact CB-CD1 3.68Å; L676-F837 HydrophobicContact CB-CD2 4.33Å; L676-F837 HydrophobicContact CB-CE1 4.13Å; L676-F837 HydrophobicContact CB-CG 3.81Å; L676-F837 HydrophobicContact CD1-CD1 4.1Å; L676-F837 HydrophobicContact CD1-CD2 3.6Å; L676-F837 HydrophobicContact CD1-CE1 3.93Å; L676-F837 HydrophobicContact CD1-CE2 3.35Å; L676-F837 HydrophobicContact CD1-CG 3.96Å; L676-F837 HydrophobicContact CD1-CZ 3.53Å; L676-F837 HydrophobicContact CG-CD1 4.49Å; L676-F837 HydrophobicContact CG-CD2 4.43Å; L676-F837 HydrophobicContact CG-CG 4.39Å; A679-F837 HydrophobicContact CB-CE1 3.66Å; A679-F837 HydrophobicContact CB-CZ 4.11Å; E833-F837 WeakPolarHBondContact O-CB 3.4Å; E833-F837 VanDerWaalsContact O-CD2 3.3Å; E833-F837 WeakPolarHBondContact O-CD2 3.25Å; E833-F837 PolarHBondContact O-N 2.87Å; V834-F837 PolarHBondContact O-N 2.98Å; I835-F837 PolarHBondContact O-N 2.93Å; F837-L840 HydrophobicContact CD2-CD1 4.3Å; F837-L840 HydrophobicContact CE2-CD1 4.41Å; F837-N841 WeakPolarHBondContact O-CB 3.27Å; F837-N841 PolarHBondContact O-N 3.12Å
838	S	92.5	Very high	88.6	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-43.9	169.7	-178.2	0	0	0	0	111.3	V663 V834 I835 L836 N841 R842	V663-S838 WeakPolarHBondContact CG2-OG 3.49Å; V834-S838 WeakPolarHBondContact O-CB 3.3Å; V834-S838 PolarHBondContact O-N 3.44Å; I835-S838 WeakPolarHBondContact O-CB 3.32Å; I835-S838 PolarHBondContact O-N 3.03Å; L836-S838 VanDerWaalsContact C-N 3.3Å; L836-S838 PolarHBondContact O-N 2.89Å; S838-N841 PolarHBondContact O-N 2.68Å; S838-R842 WeakPolarHBondContact O-CG 3.26Å; S838-R842 PolarHBondContact O-N 3.47Å
839	R	94.1	Very high	90.1	Very high	6 Å²	6	21 Å²	21	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-62	-47.7	175.1	-66.1	164.7	65.9	-173.5	6.4	111.4	D581 L584 L658 D660 I835 L836 N841 R842 M843	D581-R839 IonicContact OD1-CZ 3.25Å; D581-R839 IonicContact OD1-NH1 2.66Å; D581-R839 PolarHBondContact OD1-NH1 3.36Å; D581-R839 IonicContact OD1-NH2 3.18Å; D581-R839 PolarHBondContact OD1-NH2 3.01Å; L584-R839 VanDerWaalsContact CD1-CZ 3.47Å; L584-R839 VanDerWaalsContact CD1-NH2 3.34Å; L658-R839 HydrophobicContact CD2-CB 4.13Å; L658-R839 PolarHBondContact O-NE 3.29Å; L658-R839 PolarHBondContact O-NH2 3.39Å; D660-R839 VanDerWaalsContact O-CG 3.31Å; D660-R839 WeakPolarHBondContact O-CG 3.31Å; I835-R839 WeakPolarHBondContact O-CG 3.4Å; I835-R839 PolarHBondContact O-N 2.99Å; L836-R839 WeakPolarHBondContact O-CB 3.24Å; L836-R839 PolarHBondContact O-N 3.27Å; L836-R839 VanDerWaalsContact O-N 3.14Å; R839-N841 PolarHBondContact O-N 3.13Å; R839-R842 PolarHBondContact O-N 3.4Å; R839-M843 WeakPolarHBondContact O-CB 3.31Å; R839-M843 PolarHBondContact O-N 2.94Å
840	L	94.1	Very high	91.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-44.5	176.3	-68.7	172.5	0	0	0	111.7	I559 L584 W587 L658 L836 F837 M843 M844	I559-L840 HydrophobicContact CD1-CD1 4.39Å; I559-L840 HydrophobicContact CD1-CD2 4.38Å; I559-L840 HydrophobicContact CG2-CD1 3.8Å; L584-L840 HydrophobicContact CD2-CD2 4.08Å; W587-L840 HydrophobicContact CH2-CD2 4.38Å; W587-L840 HydrophobicContact CZ3-CD2 3.79Å; L658-L840 HydrophobicContact CD2-CD2 4.21Å; L836-L840 HydrophobicContact CD1-CD1 4.15Å; L836-L840 HydrophobicContact CD1-CG 4.13Å; L836-L840 HydrophobicContact CG-CD1 4.08Å; L836-L840 HydrophobicContact CG-CG 4.49Å; L836-L840 WeakPolarHBondContact O-CG 3.45Å; L836-L840 PolarHBondContact O-N 3.41Å; F837-L840 HydrophobicContact CD2-CD1 4.3Å; F837-L840 HydrophobicContact CE2-CD1 4.41Å; L840-M843 HydrophobicContact CD2-CE 4.31Å; L840-M843 PolarHBondContact O-N 2.86Å; L840-M844 WeakPolarHBondContact O-CB 3.49Å; L840-M844 VanDerWaalsContact O-CG 3.31Å; L840-M844 WeakPolarHBondContact O-CG 3.42Å; L840-M844 PolarHBondContact O-N 3.48Å
841	N	93.6	Very high	92.1	Very high	24 Å²	24	16.1 Å²	16.1	13%	0.128	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-43.8	178	-172	31.8	0	0	0	111.6	L675 F837 S838 R839 M844 N845	L675-N841 HydrophobicContact CD1-CB 4.13Å; F837-N841 WeakPolarHBondContact O-CB 3.27Å; F837-N841 PolarHBondContact O-N 3.12Å; S838-N841 PolarHBondContact O-N 2.68Å; R839-N841 PolarHBondContact O-N 3.13Å; N841-M844 PolarHBondContact O-N 3.44Å; N841-N845 WeakPolarHBondContact O-CB 3.21Å; N841-N845 PolarHBondContact O-N 2.85Å; N841-N845 PolarHBondContact O-ND2 2.7Å; N841-N845 PolarHBondContact OD1-ND2 2.83Å; N841-N845 VanDerWaalsContact OD1-ND2 3.12Å
842	R	93.8	Very high	92.4	Very high	44 Å²	44	17.9 Å²	17.9	17%	0.166	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-48.4	172.7	-80.7	-166.6	-72.4	-133.4	-15.2	112	D660 T662 S838 R839 M844 N845 A846	D660-R842 PolarHBondContact O-NH2 3.14Å; D660-R842 IonicContact OD1-CZ 3.12Å; D660-R842 IonicContact OD1-NH1 3.92Å; D660-R842 IonicContact OD1-NH2 3Å; D660-R842 IonicContact OD2-CZ 2.73Å; D660-R842 VanDerWaalsContact OD2-CZ 3.26Å; D660-R842 IonicContact OD2-NE 3.63Å; D660-R842 IonicContact OD2-NH1 3.35Å; D660-R842 PolarHBondContact OD2-NH1 2.85Å; D660-R842 IonicContact OD2-NH2 2.59Å; T662-R842 PolarHBondContact O-NH1 3.4Å; T662-R842 PolarHBondContact O-NH2 2.89Å; S838-R842 WeakPolarHBondContact O-CG 3.26Å; S838-R842 PolarHBondContact O-N 3.47Å; R839-R842 PolarHBondContact O-N 3.4Å; R842-M844 VanDerWaalsContact C-N 3.34Å; R842-M844 PolarHBondContact O-N 3.41Å; R842-N845 PolarHBondContact O-N 3.12Å; R842-A846 VanDerWaalsContact O-CB 3.31Å; R842-A846 WeakPolarHBondContact O-CB 3.4Å; R842-A846 PolarHBondContact O-N 2.71Å
843	M	94.8	Very high	92.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-45.1	178.1	178.2	-77.9	-69.5	0	0	111.6	L555 W587 L592 Q654 A657 L658 R839 L840 A846 T847	L555-M843 HydrophobicContact CD1-CE 4.34Å; W587-M843 HydrophobicContact CH2-CE 3.84Å; W587-M843 HydrophobicContact CZ3-CE 3.75Å; L592-M843 HydrophobicContact CD1-CE 4.05Å; L592-M843 HydrophobicContact CD1-SD 4.12Å; L592-M843 HydrophobicContact CD2-CE 4.01Å; L592-M843 HydrophobicContact CD2-CG 4.15Å; L592-M843 HydrophobicContact CD2-SD 3.78Å; L592-M843 HydrophobicContact CG-SD 4.46Å; Q654-M843 HydrophobicContact CB-CG 4.18Å; Q654-M843 HydrophobicContact CG-CG 4.07Å; Q654-M843 HydrophobicContact CG-SD 4.28Å; A657-M843 HydrophobicContact CB-CB 4.09Å; L658-M843 HydrophobicContact CD1-CB 4.42Å; L658-M843 HydrophobicContact CD1-CG 3.93Å; L658-M843 HydrophobicContact CD2-CB 3.76Å; L658-M843 HydrophobicContact CD2-CG 4.16Å; L658-M843 HydrophobicContact CG-CB 3.8Å; L658-M843 HydrophobicContact CG-CG 3.84Å; R839-M843 WeakPolarHBondContact O-CB 3.31Å; R839-M843 PolarHBondContact O-N 2.94Å; L840-M843 HydrophobicContact CD2-CE 4.31Å; L840-M843 PolarHBondContact O-N 2.86Å; M843-A846 PolarHBondContact O-N 3.33Å; M843-T847 VanDerWaalsContact O-CB 3.22Å; M843-T847 WeakPolarHBondContact O-CB 3.22Å; M843-T847 PolarHBondContact O-N 2.95Å; M843-T847 PolarHBondContact O-OG1 3.39Å
844	M	93.9	Very high	92.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-41.3	178.3	-72.8	-171.5	-63.3	0	0	112.1	L551 W552 L675 L840 N841 R842 T847 S848	L551-M844 HydrophobicContact CD2-CB 4.29Å; L551-M844 HydrophobicContact CD2-CG 4.14Å; W552-M844 HydrophobicContact CB-SD 4.36Å; W552-M844 HydrophobicContact CD2-SD 4.49Å; W552-M844 HydrophobicContact CE3-CE 3.89Å; W552-M844 HydrophobicContact CE3-SD 3.58Å; W552-M844 VanDerWaalsContact CE3-SD 3.58Å; W552-M844 HydrophobicContact CZ3-CE 4.22Å; W552-M844 HydrophobicContact CZ3-SD 4.31Å; L675-M844 HydrophobicContact CD1-CE 3.56Å; L675-M844 HydrophobicContact CD2-CE 4.14Å; L840-M844 WeakPolarHBondContact O-CB 3.49Å; L840-M844 VanDerWaalsContact O-CG 3.31Å; L840-M844 WeakPolarHBondContact O-CG 3.42Å; L840-M844 PolarHBondContact O-N 3.48Å; N841-M844 PolarHBondContact O-N 3.44Å; R842-M844 VanDerWaalsContact C-N 3.34Å; R842-M844 PolarHBondContact O-N 3.41Å; M844-T847 PolarHBondContact O-N 3.28Å; M844-S848 WeakPolarHBondContact O-CB 3.28Å; M844-S848 PolarHBondContact O-N 2.92Å
845	N	93.8	Very high	92.4	Very high	78 Å²	78	20.5 Å²	20.5	42%	0.417	11%	0.106	S	C	.	.	H	α-helix	trans	-68	-42	177.8	-67.4	-29.9	0	0	0	111.7	H548 N841 R842 S848 N849	H548-N845 PolarHBondContact CE1-OD1 2.74Å; H548-N845 PolarHBondContact ND1-OD1 3.42Å; N841-N845 WeakPolarHBondContact O-CB 3.21Å; N841-N845 PolarHBondContact O-N 2.85Å; N841-N845 PolarHBondContact O-ND2 2.7Å; N841-N845 PolarHBondContact OD1-ND2 2.83Å; N841-N845 VanDerWaalsContact OD1-ND2 3.12Å; R842-N845 PolarHBondContact O-N 3.12Å; N845-S848 PolarHBondContact O-N 2.75Å; N845-N849 WeakPolarHBondContact O-CB 3.38Å; N845-N849 PolarHBondContact O-N 3.19Å
846	A	93.8	Very high	92.2	Very high	32 Å²	32	22.7 Å²	22.7	26%	0.264	12%	0.116	S	C	.	.	H	α-helix	trans	-64.3	-43.8	175.4	0	0	0	0	0	111.6	I653 A657 R842 M843 A850	I653-A846 HydrophobicContact CG2-CB 3.76Å; A657-A846 HydrophobicContact CB-CB 4.25Å; R842-A846 VanDerWaalsContact O-CB 3.31Å; R842-A846 WeakPolarHBondContact O-CB 3.4Å; R842-A846 PolarHBondContact O-N 2.71Å; M843-A846 PolarHBondContact O-N 3.33Å; A846-A850 VanDerWaalsContact O-CB 3.27Å; A846-A850 WeakPolarHBondContact O-CB 3.49Å; A846-A850 PolarHBondContact O-N 2.9Å
847	T	94.6	Very high	91.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-45.6	176.6	-58.5	0	0	0	0	111.3	L551 L650 Q654 M843 M844 N849 A850 L851	L551-T847 HydrophobicContact CD1-CG2 4.5Å; L551-T847 HydrophobicContact CD2-CG2 3.88Å; L650-T847 HydrophobicContact CD2-CG2 4.36Å; Q654-T847 VanDerWaalsContact CG-OG1 3.3Å; Q654-T847 WeakPolarHBondContact CG-OG1 3.24Å; Q654-T847 VanDerWaalsContact NE2-CG2 3.34Å; Q654-T847 PolarHBondContact NE2-OG1 2.89Å; M843-T847 VanDerWaalsContact O-CB 3.22Å; M843-T847 WeakPolarHBondContact O-CB 3.22Å; M843-T847 PolarHBondContact O-N 2.95Å; M843-T847 PolarHBondContact O-OG1 3.39Å; M844-T847 PolarHBondContact O-N 3.28Å; T847-N849 PolarHBondContact O-N 3.46Å; T847-A850 PolarHBondContact O-N 3.49Å; T847-L851 HydrophobicContact CG2-CD1 3.9Å; T847-L851 HydrophobicContact CG2-CG 4.24Å; T847-L851 WeakPolarHBondContact O-CB 3.36Å; T847-L851 WeakPolarHBondContact O-CG 3.16Å; T847-L851 PolarHBondContact O-N 3.36Å
848	S	94.5	Very high	91.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-44.8	179.1	-178.8	0	0	0	0	111.6	E544 M844 N845 L851 R852	E544-S848 WeakPolarHBondContact CA-OG 3.4Å; E544-S848 PolarHBondContact O-OG 2.97Å; M844-S848 WeakPolarHBondContact O-CB 3.28Å; M844-S848 PolarHBondContact O-N 2.92Å; N845-S848 PolarHBondContact O-N 2.75Å; S848-L851 PolarHBondContact O-N 3.01Å; S848-R852 VanDerWaalsContact O-CB 3.3Å; S848-R852 WeakPolarHBondContact O-CB 3.19Å; S848-R852 PolarHBondContact O-N 3.07Å
849	N	93.1	Very high	90.8	Very high	59 Å²	59	30.4 Å²	30.4	32%	0.316	16%	0.157	S	C	.	.	H	α-helix	trans	-64.9	-42	175.2	-171.8	12.8	0	0	0	111.9	N845 T847 R852 Q853	N845-N849 WeakPolarHBondContact O-CB 3.38Å; N845-N849 PolarHBondContact O-N 3.19Å; T847-N849 PolarHBondContact O-N 3.46Å; N849-R852 PolarHBondContact O-N 3.45Å; N849-R852 PolarHBondContact OD1-NH2 3.37Å; N849-Q853 VanDerWaalsContact O-CG 3.29Å; N849-Q853 WeakPolarHBondContact O-CG 3.15Å; N849-Q853 PolarHBondContact O-N 3.02Å; N849-Q853 PolarHBondContact OD1-NE2 2.69Å
850	A	92.5	Very high	90.1	Very high	9 Å²	9	31 Å²	31	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-46.1	177.2	0	0	0	0	0	112.3	L650 I653 A846 T847 Q853 Q854	L650-A850 HydrophobicContact CD2-CB 3.85Å; I653-A850 HydrophobicContact CD1-CB 3.77Å; A846-A850 VanDerWaalsContact O-CB 3.27Å; A846-A850 WeakPolarHBondContact O-CB 3.49Å; A846-A850 PolarHBondContact O-N 2.9Å; T847-A850 PolarHBondContact O-N 3.49Å; A850-Q853 PolarHBondContact O-N 3.41Å; A850-Q854 WeakPolarHBondContact O-CG 3.48Å; A850-Q854 PolarHBondContact O-N 2.97Å
851	L	93	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-43.3	175.7	-73.9	175.5	0	0	0	111.2	I547 S596 W642 L650 T847 S848 Q853 Q854 I855	I547-L851 HydrophobicContact CD1-CB 4.28Å; I547-L851 HydrophobicContact CG2-CB 4.26Å; I547-L851 HydrophobicContact CG2-CD1 3.84Å; S596-L851 WeakPolarHBondContact O-CD1 3.36Å; W642-L851 HydrophobicContact CZ2-CD2 4.06Å; L650-L851 HydrophobicContact CD1-CD2 3.88Å; L650-L851 HydrophobicContact CD2-CD2 4.45Å; L650-L851 HydrophobicContact CD2-CG 4.47Å; T847-L851 HydrophobicContact CG2-CD1 3.9Å; T847-L851 HydrophobicContact CG2-CG 4.24Å; T847-L851 WeakPolarHBondContact O-CB 3.36Å; T847-L851 WeakPolarHBondContact O-CG 3.16Å; T847-L851 PolarHBondContact O-N 3.36Å; S848-L851 PolarHBondContact O-N 3.01Å; L851-Q853 VanDerWaalsContact C-N 3.33Å; L851-Q853 PolarHBondContact O-N 2.89Å; L851-Q854 PolarHBondContact O-N 3.1Å; L851-I855 WeakPolarHBondContact O-CB 3.21Å; L851-I855 VanDerWaalsContact O-CG1 3.25Å; L851-I855 WeakPolarHBondContact O-CG1 3.37Å; L851-I855 PolarHBondContact O-N 2.78Å
852	R	91.1	Very high	89.2	Confident	39 Å²	39	42.5 Å²	42.5	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-56.6	-47.7	174.4	-178.3	-166.9	60.2	72.4	4.3	111.3	S540 W543 E544 I547 S848 N849 Q854 I855 M856	S540-R852 WeakPolarHBondContact O-CD 3.26Å; W543-R852 HydrophobicContact CB-CG 3.82Å; W543-R852 HydrophobicContact CG-CG 4.45Å; E544-R852 WeakPolarHBondContact OE1-CD 3.37Å; E544-R852 IonicContact OE1-CZ 3.56Å; E544-R852 IonicContact OE1-NE 3.23Å; E544-R852 PolarHBondContact OE1-NE 2.94Å; E544-R852 IonicContact OE1-NH2 3.26Å; I547-R852 HydrophobicContact CD1-CB 4.1Å; S848-R852 VanDerWaalsContact O-CB 3.3Å; S848-R852 WeakPolarHBondContact O-CB 3.19Å; S848-R852 PolarHBondContact O-N 3.07Å; N849-R852 PolarHBondContact O-N 3.45Å; N849-R852 PolarHBondContact OD1-NH2 3.37Å; R852-Q854 VanDerWaalsContact C-N 3.34Å; R852-Q854 PolarHBondContact O-N 3.31Å; R852-I855 PolarHBondContact O-N 3.29Å; R852-M856 HydrophobicContact CG-CG 4.35Å; R852-M856 HydrophobicContact CG-SD 3.87Å; R852-M856 PolarHBondContact NH1-SD 2.87Å; R852-M856 WeakPolarHBondContact O-CG 3.19Å; R852-M856 PolarHBondContact O-N 3.42Å
853	Q	89.3	Confident	88.8	Confident	87 Å²	87	40.7 Å²	40.7	41%	0.407	20%	0.198	S	C	.	.	H	α-helix	trans	-62.3	-42.1	179.3	-72.1	175.1	19.4	0	0	111.8	N849 A850 L851 N857	N849-Q853 VanDerWaalsContact O-CG 3.29Å; N849-Q853 WeakPolarHBondContact O-CG 3.15Å; N849-Q853 PolarHBondContact O-N 3.02Å; N849-Q853 PolarHBondContact OD1-NE2 2.69Å; A850-Q853 PolarHBondContact O-N 3.41Å; L851-Q853 VanDerWaalsContact C-N 3.33Å; L851-Q853 PolarHBondContact O-N 2.89Å; Q853-N857 WeakPolarHBondContact O-CB 3.43Å; Q853-N857 VanDerWaalsContact O-CG 3.25Å; Q853-N857 PolarHBondContact O-N 2.92Å; Q853-N857 PolarHBondContact O-ND2 3.43Å
854	Q	88.2	Confident	88.4	Confident	19 Å²	19	43.6 Å²	43.6	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-44.2	175	-71.6	176.6	13.2	0	0	111.7	W642 A850 L851 R852 D858 E859	W642-Q854 HydrophobicContact CZ2-CB 4.11Å; A850-Q854 WeakPolarHBondContact O-CG 3.48Å; A850-Q854 PolarHBondContact O-N 2.97Å; L851-Q854 PolarHBondContact O-N 3.1Å; R852-Q854 VanDerWaalsContact C-N 3.34Å; R852-Q854 PolarHBondContact O-N 3.31Å; Q854-D858 PolarHBondContact O-N 2.98Å; Q854-E859 PolarHBondContact O-N 2.95Å
855	I	86.7	Confident	88.1	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.237	C	C	.	.	I	π-helix	trans	-59.1	-52.2	178.5	-73.4	166.5	0	0	0	111	W543 I547 L604 W642 L851 R852 A860	W543-I855 HydrophobicContact CE3-CD1 4.33Å; W543-I855 HydrophobicContact CE3-CG2 4.48Å; W543-I855 HydrophobicContact CH2-CG2 4.07Å; W543-I855 HydrophobicContact CZ2-CG2 4.17Å; W543-I855 HydrophobicContact CZ3-CD1 4.21Å; W543-I855 HydrophobicContact CZ3-CG2 4.23Å; I547-I855 HydrophobicContact CD1-CD1 3.88Å; L604-I855 HydrophobicContact CD1-CG1 4.44Å; L604-I855 HydrophobicContact CD1-CG2 4.07Å; W642-I855 HydrophobicContact CH2-CD1 4.07Å; W642-I855 HydrophobicContact CH2-CG1 3.49Å; W642-I855 VanDerWaalsContact CH2-CG1 3.49Å; W642-I855 HydrophobicContact CZ2-CG1 4.19Å; W642-I855 HydrophobicContact CZ3-CG1 4.41Å; L851-I855 WeakPolarHBondContact O-CB 3.21Å; L851-I855 VanDerWaalsContact O-CG1 3.25Å; L851-I855 WeakPolarHBondContact O-CG1 3.37Å; L851-I855 PolarHBondContact O-N 2.78Å; R852-I855 PolarHBondContact O-N 3.29Å; I855-A860 PolarHBondContact O-N 3.44Å
856	M	83.2	Confident	87.9	Confident	63 Å²	63	47.5 Å²	47.5	31%	0.31	23%	0.226	S	C	.	.	I	π-helix	trans	-71.8	-35.7	-174.6	-67.1	-177.6	74.6	0	0	113.2	R852	R852-M856 HydrophobicContact CG-CG 4.35Å; R852-M856 HydrophobicContact CG-SD 3.87Å; R852-M856 PolarHBondContact NH1-SD 2.87Å; R852-M856 WeakPolarHBondContact O-CG 3.19Å; R852-M856 PolarHBondContact O-N 3.42Å
857	N	83.2	Confident	87.7	Confident	91 Å²	91	46 Å²	46	49%	0.487	21%	0.213	S	C	.	.	I	π-helix	trans	-90.2	-44.5	-172.9	-65.8	-22.3	0	0	0	113.3	Q853 R861	Q853-N857 WeakPolarHBondContact O-CB 3.43Å; Q853-N857 VanDerWaalsContact O-CG 3.25Å; Q853-N857 PolarHBondContact O-N 2.92Å; Q853-N857 PolarHBondContact O-ND2 3.43Å; N857-R861 WeakPolarHBondContact O-CD 3.41Å
858	D	83	Confident	87.5	Confident	77 Å²	77	50.1 Å²	50.1	41%	0.412	23%	0.231	S	C	.	.	I	π-helix	trans	-109.3	-50.1	-168	-64.9	-31.9	0	0	0	111.4	Q854 R861 R862	Q854-D858 PolarHBondContact O-N 2.98Å; D858-R861 PolarHBondContact O-N 3.05Å; D858-R862 WeakPolarHBondContact O-CB 3.4Å; D858-R862 PolarHBondContact O-N 3.17Å
859	E	82.5	Confident	87.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.009	25%	0.246	C	C	.	.	I	π-helix	trans	-72.9	-34.4	-173.5	-64.4	-63.4	152.1	0	0	113.1	L604 H640 W642 D643 Q854 R861 R862 L863	L604-E859 HydrophobicContact CD1-CB 4.16Å; H640-E859 IonicContact CD2-OE2 3.28Å; H640-E859 IonicContact CE1-OE2 3.92Å; H640-E859 IonicContact NE2-OE2 2.65Å; H640-E859 PolarHBondContact NE2-OE2 3.38Å; W642-E859 HydrophobicContact CD2-CG 4.15Å; W642-E859 HydrophobicContact CE3-CG 4.06Å; W642-E859 HydrophobicContact CH2-CG 3.96Å; W642-E859 HydrophobicContact CZ2-CG 3.99Å; W642-E859 HydrophobicContact CZ3-CG 3.96Å; D643-E859 PolarHBondContact N-OE1 2.87Å; Q854-E859 PolarHBondContact O-N 2.95Å; E859-R861 VanDerWaalsContact C-N 3.34Å; E859-R861 PolarHBondContact O-N 3.34Å; E859-R862 PolarHBondContact O-N 3.29Å; E859-L863 VanDerWaalsContact O-CB 3.23Å; E859-L863 WeakPolarHBondContact O-CB 3.3Å; E859-L863 PolarHBondContact O-N 2.98Å
860	A	78.9	Confident	87	Confident	18 Å²	18	50.7 Å²	50.7	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-44.9	174.6	0	0	0	0	0	112	N536 I855 L863 E864	N536-A860 WeakPolarHBondContact OD1-CB 3.35Å; I855-A860 PolarHBondContact O-N 3.44Å; A860-L863 PolarHBondContact O-N 2.88Å; A860-E864 PolarHBondContact O-N 3.44Å
861	R	83.7	Confident	86.9	Confident	182 Å²	182	50.3 Å²	50.3	69%	0.687	23%	0.229	S	C	*	.	H	α-helix	trans	-68.3	-40.2	176.6	-67.5	179.8	-179.7	162.8	0.3	111.9	N857 D858 E859 E864 H865	N857-R861 WeakPolarHBondContact O-CD 3.41Å; D858-R861 PolarHBondContact O-N 3.05Å; E859-R861 VanDerWaalsContact C-N 3.34Å; E859-R861 PolarHBondContact O-N 3.34Å; R861-E864 PolarHBondContact O-N 3.24Å; R861-H865 PolarHBondContact O-N 3.05Å
862	R	86	Confident	86.8	Confident	83 Å²	83	54.3 Å²	54.3	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.2	175.9	172.7	-89.1	-160.1	-0.5	111.2	H641 D858 E859 H865 Y866	H641-R862 PolarHBondContact O-NH1 3.25Å; D858-R862 WeakPolarHBondContact O-CB 3.4Å; D858-R862 PolarHBondContact O-N 3.17Å; E859-R862 PolarHBondContact O-N 3.29Å; R862-H865 PolarHBondContact O-N 3.47Å; R862-Y866 HydrophobicContact CG-CD2 3.78Å; R862-Y866 HydrophobicContact CG-CE2 3.27Å; R862-Y866 WeakPolarHBondContact O-CD2 3.38Å; R862-Y866 PolarHBondContact O-N 3.49Å
863	L	85.2	Confident	86.6	Confident	6 Å²	6	56 Å²	56	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-50.4	174.2	-174.8	67.3	0	0	0	110.7	L532 L535 L604 I636 E859 A860 H865 Y866 V867	L532-L863 HydrophobicContact CD2-CD2 3.71Å; L532-L863 HydrophobicContact CD2-CG 4.15Å; L535-L863 HydrophobicContact CD1-CD2 4.46Å; L604-L863 HydrophobicContact CD2-CD2 4.47Å; I636-L863 HydrophobicContact CG2-CD1 3.37Å; E859-L863 VanDerWaalsContact O-CB 3.23Å; E859-L863 WeakPolarHBondContact O-CB 3.3Å; E859-L863 PolarHBondContact O-N 2.98Å; A860-L863 PolarHBondContact O-N 2.88Å; L863-H865 VanDerWaalsContact C-N 3.29Å; L863-H865 PolarHBondContact O-N 2.98Å; L863-Y866 PolarHBondContact O-N 3.37Å; L863-Y866 VanDerWaalsContact O-N 3.16Å; L863-V867 HydrophobicContact CG-CG2 4.38Å; L863-V867 WeakPolarHBondContact O-CG2 3.41Å; L863-V867 PolarHBondContact O-N 3.01Å
864	E	85.5	Confident	86.5	Confident	62 Å²	62	52 Å²	52	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-55.6	-43.5	176.2	-172.4	-170.1	161.7	0	0	111.9	A860 R861 V867 K868	A860-E864 PolarHBondContact O-N 3.44Å; R861-E864 PolarHBondContact O-N 3.24Å; E864-V867 PolarHBondContact O-N 3.23Å; E864-K868 HydrophobicContact CG-CD 4.47Å; E864-K868 WeakPolarHBondContact O-CG 3.36Å; E864-K868 PolarHBondContact O-N 3.44Å; E864-K868 WeakPolarHBondContact OE1-CE 3.43Å; E864-K868 IonicContact OE1-NZ 3.88Å; E864-K868 PolarHBondContact OE1-NZ 3.49Å
865	H	88.9	Confident	86.4	Confident	116 Å²	116	53.6 Å²	53.6	54%	0.537	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-48.2	176.1	176.8	-86.2	0	0	0	112.2	R861 R862 L863 V867 K868 Q869	R861-H865 PolarHBondContact O-N 3.05Å; R862-H865 PolarHBondContact O-N 3.47Å; L863-H865 VanDerWaalsContact C-N 3.29Å; L863-H865 PolarHBondContact O-N 2.98Å; H865-V867 VanDerWaalsContact C-N 3.31Å; H865-V867 PolarHBondContact O-N 3.07Å; H865-K868 PolarHBondContact O-N 3.34Å; H865-Q869 PolarHBondContact O-N 2.83Å
866	Y	89.1	Confident	86.3	Confident	44 Å²	44	59.8 Å²	59.8	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-35.9	178.5	-70.7	-49.6	0	0	0	112.7	R639 R862 L863 Q869 A870	R639-Y866 HydrophobicContact CB-CD1 4.5Å; R862-Y866 HydrophobicContact CG-CD2 3.78Å; R862-Y866 HydrophobicContact CG-CE2 3.27Å; R862-Y866 WeakPolarHBondContact O-CD2 3.38Å; R862-Y866 PolarHBondContact O-N 3.49Å; L863-Y866 PolarHBondContact O-N 3.37Å; L863-Y866 VanDerWaalsContact O-N 3.16Å; Y866-Q869 PolarHBondContact O-N 3.24Å; Y866-A870 WeakPolarHBondContact O-CB 3.31Å; Y866-A870 PolarHBondContact O-N 3.42Å
867	V	89.1	Confident	86.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-48.8	175.1	175.7	0	0	0	0	110.4	I528 L529 L532 V632 I636 L863 E864 H865 Q869 A870 L871	I528-V867 HydrophobicContact CG2-CG1 3.76Å; L529-V867 HydrophobicContact CD2-CG1 4.12Å; L532-V867 HydrophobicContact CD1-CB 3.69Å; L532-V867 HydrophobicContact CD1-CG1 3.62Å; L532-V867 HydrophobicContact CD1-CG2 3.31Å; L532-V867 HydrophobicContact CD2-CG2 4.42Å; L532-V867 HydrophobicContact CG-CG2 4.47Å; V632-V867 HydrophobicContact CG1-CG1 4.18Å; I636-V867 HydrophobicContact CD1-CB 4.19Å; I636-V867 HydrophobicContact CD1-CG2 3.21Å; I636-V867 HydrophobicContact CG1-CG2 3.95Å; L863-V867 HydrophobicContact CG-CG2 4.38Å; L863-V867 WeakPolarHBondContact O-CG2 3.41Å; L863-V867 PolarHBondContact O-N 3.01Å; E864-V867 PolarHBondContact O-N 3.23Å; H865-V867 VanDerWaalsContact C-N 3.31Å; H865-V867 PolarHBondContact O-N 3.07Å; V867-Q869 VanDerWaalsContact C-N 3.29Å; V867-Q869 PolarHBondContact O-N 3.28Å; V867-A870 PolarHBondContact O-N 2.88Å; V867-L871 HydrophobicContact CG1-CD1 3.6Å; V867-L871 HydrophobicContact CG1-CG 4.34Å; V867-L871 WeakPolarHBondContact O-CB 3.18Å; V867-L871 WeakPolarHBondContact O-CG 3.25Å; V867-L871 PolarHBondContact O-N 3.14Å
868	K	90.2	Very high	86.3	Confident	87 Å²	87	59 Å²	59	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-42.1	176.9	-73.8	177.5	-176.5	172.9	0	111.6	L529 E864 H865 L871 N872	L529-K868 HydrophobicContact CD2-CG 3.79Å; E864-K868 HydrophobicContact CG-CD 4.47Å; E864-K868 WeakPolarHBondContact O-CG 3.36Å; E864-K868 PolarHBondContact O-N 3.44Å; E864-K868 WeakPolarHBondContact OE1-CE 3.43Å; E864-K868 IonicContact OE1-NZ 3.88Å; E864-K868 PolarHBondContact OE1-NZ 3.49Å; H865-K868 PolarHBondContact O-N 3.34Å; K868-L871 PolarHBondContact O-N 2.95Å; K868-N872 WeakPolarHBondContact O-CB 3.35Å; K868-N872 PolarHBondContact O-N 3.24Å; K868-N872 PolarHBondContact O-ND2 3.38Å
869	Q	89.7	Confident	86.3	Confident	73 Å²	73	59.7 Å²	59.7	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-48.1	176.8	-172.8	-177	-9.9	0	0	111.8	H865 Y866 V867 L871 N872 E873	H865-Q869 PolarHBondContact O-N 2.83Å; Y866-Q869 PolarHBondContact O-N 3.24Å; V867-Q869 VanDerWaalsContact C-N 3.29Å; V867-Q869 PolarHBondContact O-N 3.28Å; Q869-L871 VanDerWaalsContact C-N 3.33Å; Q869-L871 PolarHBondContact O-N 2.98Å; Q869-N872 PolarHBondContact O-N 2.93Å; Q869-E873 WeakPolarHBondContact CG-OE1 3.24Å; Q869-E873 PolarHBondContact NE2-OE1 3.42Å; Q869-E873 WeakPolarHBondContact O-CG 3.27Å; Q869-E873 PolarHBondContact O-N 3.35Å
870	A	88.8	Confident	86.3	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-41.9	177.4	0	0	0	0	0	111.9	E635 Y866 V867 E873 L874	E635-A870 HydrophobicContact CB-CB 4.2Å; Y866-A870 WeakPolarHBondContact O-CB 3.31Å; Y866-A870 PolarHBondContact O-N 3.42Å; V867-A870 PolarHBondContact O-N 2.88Å; A870-E873 PolarHBondContact O-N 3.27Å; A870-L874 WeakPolarHBondContact O-CB 3.34Å; A870-L874 VanDerWaalsContact O-CG 3.26Å; A870-L874 WeakPolarHBondContact O-CG 3.35Å; A870-L874 PolarHBondContact O-N 2.85Å
871	L	89.9	Confident	86.6	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-39.7	176.4	-71.7	166.2	0	0	0	112	F521 R525 I528 V632 V867 K868 Q869 L874 S875	F521-L871 HydrophobicContact CZ-CD2 4.35Å; F521-L871 WeakPolarHBondContact CZ-O 3.45Å; R525-L871 HydrophobicContact CG-CB 4.2Å; R525-L871 HydrophobicContact CG-CD1 3.75Å; R525-L871 HydrophobicContact CG-CG 4.36Å; I528-L871 HydrophobicContact CB-CD1 4.43Å; I528-L871 HydrophobicContact CD1-CD2 4.1Å; I528-L871 HydrophobicContact CG2-CD1 4.14Å; V632-L871 HydrophobicContact CG2-CD2 3.66Å; V632-L871 HydrophobicContact CG2-CG 4.24Å; V867-L871 HydrophobicContact CG1-CD1 3.6Å; V867-L871 HydrophobicContact CG1-CG 4.34Å; V867-L871 WeakPolarHBondContact O-CB 3.18Å; V867-L871 WeakPolarHBondContact O-CG 3.25Å; V867-L871 PolarHBondContact O-N 3.14Å; K868-L871 PolarHBondContact O-N 2.95Å; Q869-L871 VanDerWaalsContact C-N 3.33Å; Q869-L871 PolarHBondContact O-N 2.98Å; L871-L874 PolarHBondContact O-N 3.15Å; L871-S875 WeakPolarHBondContact O-CB 3.39Å; L871-S875 PolarHBondContact O-N 2.68Å
872	N	89.8	Confident	86.6	Confident	84 Å²	84	60.7 Å²	60.7	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-40.6	176.4	-72.4	-16.6	0	0	0	112.3	K868 Q869 L874 S875 N876	K868-N872 WeakPolarHBondContact O-CB 3.35Å; K868-N872 PolarHBondContact O-N 3.24Å; K868-N872 PolarHBondContact O-ND2 3.38Å; Q869-N872 PolarHBondContact O-N 2.93Å; N872-L874 VanDerWaalsContact C-N 3.33Å; N872-S875 WeakPolarHBondContact O-CB 3.29Å; N872-S875 PolarHBondContact O-N 2.62Å; N872-N876 PolarHBondContact O-N 2.84Å; N872-N876 VanDerWaalsContact O-N 3.17Å; N872-N876 PolarHBondContact O-ND2 3.12Å
873	E	87.5	Confident	86.6	Confident	75 Å²	75	64.1 Å²	64.1	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-38.7	175	-72.3	173.3	-158.6	0	0	111.8	R639 Q869 A870 N876	R639-E873 IonicContact CZ-OE1 2.65Å; R639-E873 IonicContact CZ-OE2 2.78Å; R639-E873 VanDerWaalsContact CZ-OE2 3.25Å; R639-E873 VanDerWaalsContact NH1-CD 3.26Å; R639-E873 IonicContact NH1-OE1 3.66Å; R639-E873 PolarHBondContact NH1-OE1 3.39Å; R639-E873 IonicContact NH1-OE2 2.82Å; R639-E873 PolarHBondContact NH1-OE2 3.41Å; R639-E873 IonicContact NH2-OE1 2.69Å; R639-E873 IonicContact NH2-OE2 2.63Å; R639-E873 PolarHBondContact NH2-OE2 3.25Å; Q869-E873 WeakPolarHBondContact CG-OE1 3.24Å; Q869-E873 PolarHBondContact NE2-OE1 3.42Å; Q869-E873 WeakPolarHBondContact O-CG 3.27Å; Q869-E873 PolarHBondContact O-N 3.35Å; A870-E873 PolarHBondContact O-N 3.27Å; E873-N876 PolarHBondContact O-N 2.73Å
874	L	87.3	Confident	86.7	Confident	2 Å²	2	65 Å²	65	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-41.7	172.9	-72.7	169.9	0	0	0	111.8	F521 L628 V632 A870 L871 N872 N876 D877 R880 V881 L884	F521-L874 HydrophobicContact CE2-CB 4.1Å; F521-L874 HydrophobicContact CZ-CB 4.07Å; L628-L874 HydrophobicContact CD1-CD1 3.81Å; V632-L874 HydrophobicContact CG2-CD1 3.7Å; A870-L874 WeakPolarHBondContact O-CB 3.34Å; A870-L874 VanDerWaalsContact O-CG 3.26Å; A870-L874 WeakPolarHBondContact O-CG 3.35Å; A870-L874 PolarHBondContact O-N 2.85Å; L871-L874 PolarHBondContact O-N 3.15Å; N872-L874 VanDerWaalsContact C-N 3.33Å; L874-N876 PolarHBondContact O-N 3.03Å; L874-D877 PolarHBondContact O-N 3.24Å; L874-R880 VanDerWaalsContact CD2-CD 3.5Å; L874-R880 HydrophobicContact CD2-CG 3.75Å; L874-V881 WeakPolarHBondContact O-CG2 3.42Å; L874-L884 HydrophobicContact CD1-CD1 4.45Å; L874-L884 HydrophobicContact CD2-CD1 3.77Å
875	S	85.8	Confident	86.8	Confident	52 Å²	52	62.1 Å²	62.1	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-57.1	-34.6	177.2	-169.7	0	0	0	0	112.7	L871 N872 D877	L871-S875 WeakPolarHBondContact O-CB 3.39Å; L871-S875 PolarHBondContact O-N 2.68Å; N872-S875 WeakPolarHBondContact O-CB 3.29Å; N872-S875 PolarHBondContact O-N 2.62Å; S875-D877 VanDerWaalsContact C-N 3.31Å
876	N	86.1	Confident	86.6	Confident	135 Å²	135	60.2 Å²	60.2	72%	0.722	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.4	179.4	-66	-21.5	0	0	0	113.5	N872 E873 L874 P878	N872-N876 PolarHBondContact O-N 2.84Å; N872-N876 VanDerWaalsContact O-N 3.17Å; N872-N876 PolarHBondContact O-ND2 3.12Å; E873-N876 PolarHBondContact O-N 2.73Å; L874-N876 PolarHBondContact O-N 3.03Å; N876-P878 WeakPolarHBondContact O-CD 3.47Å
877	D	85	Confident	86.4	Confident	60 Å²	60	59.6 Å²	59.6	32%	0.321	31%	0.308	S	S	.	.			trans	-115	88.3	179.7	-176.1	-10.4	0	0	0	110.7	L874 S875 I879 R880 V881	L874-D877 PolarHBondContact O-N 3.24Å; S875-D877 VanDerWaalsContact C-N 3.31Å; D877-I879 PolarHBondContact O-N 3.11Å; D877-I879 WeakPolarHBondContact OD1-CB 3.36Å; D877-I879 PolarHBondContact OD1-N 2.65Å; D877-I879 VanDerWaalsContact OD1-N 3.17Å; D877-R880 HydrophobicContact CB-CB 4.01Å; D877-R880 PolarHBondContact O-N 2.81Å; D877-R880 VanDerWaalsContact O-N 3.17Å; D877-R880 PolarHBondContact OD1-N 2.66Å; D877-R880 VanDerWaalsContact OD2-CB 3.23Å; D877-R880 WeakPolarHBondContact OD2-CB 3.29Å; D877-V881 WeakPolarHBondContact O-CG2 3.45Å; D877-V881 PolarHBondContact O-N 3.47Å
878	P	79.6	Confident	86.2	Confident	78 Å²	78	64.6 Å²	64.6	51%	0.506	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-27	-177.2	25.8	-34.2	0	0	0	112.6	N876 K882	N876-P878 WeakPolarHBondContact O-CD 3.47Å; P878-K882 VanDerWaalsContact O-CB 3.29Å; P878-K882 WeakPolarHBondContact O-CB 3.44Å; P878-K882 PolarHBondContact O-N 3.48Å
879	I	83.3	Confident	86.1	Confident	91 Å²	91	61.8 Å²	61.8	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-44.3	178.4	-59.7	171.8	0	0	0	109.5	D877 K882 K883	D877-I879 PolarHBondContact O-N 3.11Å; D877-I879 WeakPolarHBondContact OD1-CB 3.36Å; D877-I879 PolarHBondContact OD1-N 2.65Å; D877-I879 VanDerWaalsContact OD1-N 3.17Å; I879-K882 PolarHBondContact O-N 2.99Å; I879-K883 PolarHBondContact O-N 2.98Å
880	R	83.2	Confident	86.1	Confident	86 Å²	86	58.3 Å²	58.3	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-68.6	-41.3	177.3	-169.6	166.1	177.4	-169.9	-0	111.1	E635 L874 D877 K882 K883 L884	E635-R880 IonicContact OE1-CZ 2.9Å; E635-R880 IonicContact OE1-NH1 2.88Å; E635-R880 PolarHBondContact OE1-NH1 2.64Å; E635-R880 IonicContact OE1-NH2 3.38Å; E635-R880 PolarHBondContact OE1-NH2 3.43Å; L874-R880 VanDerWaalsContact CD2-CD 3.5Å; L874-R880 HydrophobicContact CD2-CG 3.75Å; D877-R880 HydrophobicContact CB-CB 4.01Å; D877-R880 PolarHBondContact O-N 2.81Å; D877-R880 VanDerWaalsContact O-N 3.17Å; D877-R880 PolarHBondContact OD1-N 2.66Å; D877-R880 VanDerWaalsContact OD2-CB 3.23Å; D877-R880 WeakPolarHBondContact OD2-CB 3.29Å; R880-K882 VanDerWaalsContact C-N 3.3Å; R880-K882 PolarHBondContact O-N 3.3Å; R880-K883 PolarHBondContact O-N 2.8Å; R880-K883 VanDerWaalsContact O-N 3.1Å; R880-L884 HydrophobicContact CG-CD1 4.04Å; R880-L884 VanDerWaalsContact O-CG 3.31Å; R880-L884 WeakPolarHBondContact O-CG 3.21Å; R880-L884 PolarHBondContact O-N 2.96Å
881	V	84.8	Confident	86	Confident	12 Å²	12	63.5 Å²	63.5	7%	0.073	33%	0.325	C	S	.	.	H	α-helix	trans	-59.4	-41.6	173.3	-179.2	0	0	0	0	111	R517 F521 L874 D877 K883 L884 I885	R517-V881 HydrophobicContact CG-CG1 3.94Å; F521-V881 HydrophobicContact CB-CG1 4.32Å; F521-V881 HydrophobicContact CD2-CG1 3.93Å; F521-V881 HydrophobicContact CD2-CG2 4.08Å; F521-V881 HydrophobicContact CE2-CG2 4.09Å; F521-V881 HydrophobicContact CG-CG1 4.34Å; L874-V881 WeakPolarHBondContact O-CG2 3.42Å; D877-V881 WeakPolarHBondContact O-CG2 3.45Å; D877-V881 PolarHBondContact O-N 3.47Å; V881-K883 VanDerWaalsContact C-N 3.26Å; V881-K883 PolarHBondContact O-N 2.89Å; V881-L884 PolarHBondContact O-N 3.23Å; V881-L884 VanDerWaalsContact O-N 3.15Å; V881-I885 HydrophobicContact CG1-CD1 4Å; V881-I885 HydrophobicContact CG1-CG1 4.3Å; V881-I885 PolarHBondContact O-N 3.18Å
882	K	83.7	Confident	85.9	Confident	125 Å²	125	64 Å²	64	54%	0.543	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-31.7	175.9	-175.6	172.7	-176.6	-179.9	0	113.5	P878 I879 R880 T886	P878-K882 VanDerWaalsContact O-CB 3.29Å; P878-K882 WeakPolarHBondContact O-CB 3.44Å; P878-K882 PolarHBondContact O-N 3.48Å; I879-K882 PolarHBondContact O-N 2.99Å; R880-K882 VanDerWaalsContact C-N 3.3Å; R880-K882 PolarHBondContact O-N 3.3Å; K882-T886 WeakPolarHBondContact O-CG2 3.41Å
883	K	86.9	Confident	85.8	Confident	156 Å²	156	60.2 Å²	60.2	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-78.8	-30.3	175.3	-70.3	178.2	-177.9	178.1	0	113.2	I879 R880 V881 T886	I879-K883 PolarHBondContact O-N 2.98Å; R880-K883 PolarHBondContact O-N 2.8Å; R880-K883 VanDerWaalsContact O-N 3.1Å; V881-K883 VanDerWaalsContact C-N 3.26Å; V881-K883 PolarHBondContact O-N 2.89Å; K883-T886 VanDerWaalsContact O-CG2 3.3Å; K883-T886 WeakPolarHBondContact O-CG2 3.45Å
884	L	86.8	Confident	85.7	Confident	25 Å²	25	58 Å²	58	13%	0.131	30%	0.297	C	S	.	.	H	α-helix	trans	-86.5	-44.1	-176.5	-65.5	173.4	0	0	0	112.1	P627 L628 A631 L874 R880 V881 T886	P627-L884 WeakPolarHBondContact CB-O 3.44Å; L628-L884 HydrophobicContact CD1-CB 4.49Å; L628-L884 HydrophobicContact CD1-CD1 3.87Å; A631-L884 HydrophobicContact CB-CD1 4.01Å; A631-L884 HydrophobicContact CB-CD2 3.7Å; L874-L884 HydrophobicContact CD1-CD1 4.45Å; L874-L884 HydrophobicContact CD2-CD1 3.77Å; R880-L884 HydrophobicContact CG-CD1 4.04Å; R880-L884 VanDerWaalsContact O-CG 3.31Å; R880-L884 WeakPolarHBondContact O-CG 3.21Å; R880-L884 PolarHBondContact O-N 2.96Å; V881-L884 PolarHBondContact O-N 3.23Å; V881-L884 VanDerWaalsContact O-N 3.15Å; L884-T886 PolarHBondContact O-N 3.07Å
885	I	86.9	Confident	85.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-96	82.3	178.3	-56	-174.4	0	0	0	108.4	R517 L520 F521 V624 L628 V881 V890	R517-I885 HydrophobicContact CG-CB 3.98Å; R517-I885 HydrophobicContact CG-CD1 4.48Å; R517-I885 HydrophobicContact CG-CG2 4.01Å; R517-I885 PolarHBondContact NE-O 3.41Å; L520-I885 HydrophobicContact CB-CG2 4.3Å; L520-I885 HydrophobicContact CD1-CG2 4.27Å; F521-I885 HydrophobicContact CB-CD1 3.65Å; F521-I885 HydrophobicContact CD2-CD1 3.92Å; F521-I885 HydrophobicContact CG-CD1 4.29Å; V624-I885 HydrophobicContact CG1-CG2 3.98Å; L628-I885 HydrophobicContact CD2-CD1 4.38Å; V881-I885 HydrophobicContact CG1-CD1 4Å; V881-I885 HydrophobicContact CG1-CG1 4.3Å; V881-I885 PolarHBondContact O-N 3.18Å; I885-V890 HydrophobicContact CG2-CG1 4.23Å; I885-V890 HydrophobicContact CG2-CG2 3.97Å
886	T	84.9	Confident	85.8	Confident	76 Å²	76	58.9 Å²	58.9	47%	0.466	30%	0.298	S	S	.	.			trans	-115.8	158.5	-179.6	58.3	0	0	0	0	111.2	K882 K883 L884	K882-T886 WeakPolarHBondContact O-CG2 3.41Å; K883-T886 VanDerWaalsContact O-CG2 3.3Å; K883-T886 WeakPolarHBondContact O-CG2 3.45Å; L884-T886 PolarHBondContact O-N 3.07Å
887	G	85	Confident	85.8	Confident	31 Å²	31	55.4 Å²	55.4	32%	0.32	28%	0.284	S	S	.	.	S	Bend	trans	142	157.8	175.9	0	0	0	0	0	112.3	R889 V890 Q891	G887-R889 PolarHBondContact O-N 2.76Å; G887-V890 PolarHBondContact O-N 3.49Å; G887-Q891 PolarHBondContact O-N 2.86Å; G887-Q891 VanDerWaalsContact O-N 3.14Å
888	K	85.6	Confident	85.7	Confident	105 Å²	105	58.3 Å²	58.3	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-57.3	-35.9	-179.3	-172.1	169.3	-176.5	-179.8	0	112.3	E504 L508 V890 L892	E504-K888 WeakPolarHBondContact OE1-CE 3.33Å; E504-K888 IonicContact OE1-NZ 3.45Å; E504-K888 PolarHBondContact OE1-NZ 3.17Å; L508-K888 HydrophobicContact CD1-CD 3.84Å; L508-K888 HydrophobicContact CD1-CG 4.46Å; K888-V890 PolarHBondContact O-N 3.42Å; K888-L892 HydrophobicContact CG-CD1 3.94Å; K888-L892 HydrophobicContact CG-CG 4.25Å; K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 WeakPolarHBondContact O-CG 3.32Å; K888-L892 PolarHBondContact O-N 3.13Å
889	R	88.6	Confident	86	Confident	28 Å²	28	55.2 Å²	55.2	11%	0.106	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-45.5	174.4	-169.9	-178.5	70.2	-176.4	4	112.2	W505 F509 D622 G887 A893	W505-R889 HydrophobicContact CH2-CG 3.62Å; W505-R889 HydrophobicContact CZ3-CG 3.88Å; W505-R889 VanDerWaalsContact CZ3-O 3.32Å; W505-R889 WeakPolarHBondContact CZ3-O 3.29Å; F509-R889 HydrophobicContact CD1-CG 4.43Å; F509-R889 HydrophobicContact CD2-CB 4.4Å; F509-R889 HydrophobicContact CD2-CG 4.19Å; F509-R889 HydrophobicContact CE1-CB 4.05Å; F509-R889 HydrophobicContact CE1-CG 4.33Å; F509-R889 HydrophobicContact CE2-CB 3.79Å; F509-R889 HydrophobicContact CE2-CG 4.09Å; F509-R889 HydrophobicContact CG-CG 4.37Å; F509-R889 HydrophobicContact CZ-CB 3.6Å; F509-R889 HydrophobicContact CZ-CG 4.17Å; D622-R889 VanDerWaalsContact CG-NH1 3.33Å; D622-R889 IonicContact OD1-CZ 3.8Å; D622-R889 IonicContact OD1-NH1 3.2Å; D622-R889 PolarHBondContact OD1-NH1 3.28Å; D622-R889 IonicContact OD1-NH2 3.57Å; D622-R889 PolarHBondContact OD1-NH2 3.48Å; D622-R889 IonicContact OD2-CZ 2.92Å; D622-R889 IonicContact OD2-NH1 3Å; D622-R889 PolarHBondContact OD2-NH1 3.32Å; D622-R889 IonicContact OD2-NH2 2.63Å; D622-R889 PolarHBondContact OD2-NH2 3.02Å; G887-R889 PolarHBondContact O-N 2.76Å; R889-A893 WeakPolarHBondContact O-CB 3.48Å; R889-A893 PolarHBondContact O-N 3.18Å
890	V	88	Confident	86.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-40.5	-174.8	-172.6	0	0	0	0	110.6	R517 L520 V624 I885 G887 K888 A893 E894	R517-V890 HydrophobicContact CB-CG1 4.01Å; R517-V890 HydrophobicContact CG-CG1 4.28Å; L520-V890 HydrophobicContact CD1-CB 4.38Å; L520-V890 HydrophobicContact CD1-CG1 4.2Å; L520-V890 HydrophobicContact CD1-CG2 3.58Å; V624-V890 HydrophobicContact CG1-CG2 4.09Å; I885-V890 HydrophobicContact CG2-CG1 4.23Å; I885-V890 HydrophobicContact CG2-CG2 3.97Å; G887-V890 PolarHBondContact O-N 3.49Å; K888-V890 PolarHBondContact O-N 3.42Å; V890-A893 PolarHBondContact O-N 2.8Å; V890-E894 WeakPolarHBondContact O-CG 3.3Å; V890-E894 PolarHBondContact O-N 2.86Å
891	Q	86.7	Confident	86.2	Confident	112 Å²	112	52.9 Å²	52.9	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-50.9	175.7	-70	174.1	-16.1	0	0	111.4	G887 A893 E894 D895	G887-Q891 PolarHBondContact O-N 2.86Å; G887-Q891 VanDerWaalsContact O-N 3.14Å; Q891-A893 VanDerWaalsContact C-N 3.32Å; Q891-A893 PolarHBondContact O-N 2.73Å; Q891-E894 PolarHBondContact O-N 3.27Å; Q891-D895 WeakPolarHBondContact O-CB 3.42Å; Q891-D895 PolarHBondContact O-N 2.04Å
892	L	88.5	Confident	86.1	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-39	179	-72.7	177.4	0	0	0	112.7	L501 E504 W505 L508 F509 K888 L896	L501-L892 HydrophobicContact CD2-CD2 3.95Å; E504-L892 HydrophobicContact CG-CD1 3.91Å; E504-L892 HydrophobicContact CG-CD2 4.36Å; W505-L892 HydrophobicContact CE3-CB 4.02Å; W505-L892 HydrophobicContact CZ3-CB 4.37Å; L508-L892 HydrophobicContact CD1-CD1 3.76Å; F509-L892 HydrophobicContact CE2-CD1 4.16Å; K888-L892 HydrophobicContact CG-CD1 3.94Å; K888-L892 HydrophobicContact CG-CG 4.25Å; K888-L892 WeakPolarHBondContact O-CB 3.44Å; K888-L892 WeakPolarHBondContact O-CG 3.32Å; K888-L892 PolarHBondContact O-N 3.13Å; L892-L896 WeakPolarHBondContact O-CB 3.46Å; L892-L896 PolarHBondContact O-N 2.82Å
893	A	87.9	Confident	86	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-41.7	176.2	0	0	0	0	0	112.1	W505 M515 R889 V890 Q891 S897	W505-A893 HydrophobicContact CH2-CB 4.15Å; W505-A893 HydrophobicContact CZ3-CB 3.79Å; M515-A893 VanDerWaalsContact O-CB 3.31Å; M515-A893 WeakPolarHBondContact O-CB 3.37Å; R889-A893 WeakPolarHBondContact O-CB 3.48Å; R889-A893 PolarHBondContact O-N 3.18Å; V890-A893 PolarHBondContact O-N 2.8Å; Q891-A893 VanDerWaalsContact C-N 3.32Å; Q891-A893 PolarHBondContact O-N 2.73Å; A893-S897 VanDerWaalsContact O-CB 3.25Å; A893-S897 WeakPolarHBondContact O-CB 3.5Å; A893-S897 PolarHBondContact O-N 3.38Å
894	E	86.2	Confident	86	Confident	29 Å²	29	45.7 Å²	45.7	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-46.6	176.1	-74.1	-174.5	158.2	0	0	112.1	R517 V890 Q891 L896 S897 R898	R517-E894 VanDerWaalsContact CB-OE1 3.23Å; R517-E894 WeakPolarHBondContact CB-OE1 3.36Å; R517-E894 VanDerWaalsContact CZ-CD 3.49Å; R517-E894 IonicContact CZ-OE1 2.69Å; R517-E894 IonicContact CZ-OE2 3.29Å; R517-E894 VanDerWaalsContact CZ-OE2 3.28Å; R517-E894 IonicContact NE-OE1 3.44Å; R517-E894 VanDerWaalsContact NH1-CD 3.31Å; R517-E894 IonicContact NH1-OE1 2.87Å; R517-E894 PolarHBondContact NH1-OE1 3.24Å; R517-E894 IonicContact NH1-OE2 3.02Å; R517-E894 PolarHBondContact NH1-OE2 3.41Å; R517-E894 VanDerWaalsContact NH1-OE2 3.12Å; R517-E894 VanDerWaalsContact NH2-CD 3.27Å; R517-E894 IonicContact NH2-OE1 3.59Å; R517-E894 PolarHBondContact NH2-OE1 2.9Å; R517-E894 IonicContact NH2-OE2 2.92Å; R517-E894 PolarHBondContact NH2-OE2 3.49Å; V890-E894 WeakPolarHBondContact O-CG 3.3Å; V890-E894 PolarHBondContact O-N 2.86Å; Q891-E894 PolarHBondContact O-N 3.27Å; E894-L896 VanDerWaalsContact C-N 3.28Å; E894-L896 PolarHBondContact O-N 3.22Å; E894-S897 PolarHBondContact O-N 3.23Å; E894-R898 WeakPolarHBondContact O-CB 3.41Å; E894-R898 WeakPolarHBondContact O-CG 3.42Å; E894-R898 PolarHBondContact O-N 3.21Å
895	D	86.2	Confident	85.8	Confident	71 Å²	71	46.1 Å²	46.1	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-40.7	-179.8	-67.4	-20.1	0	0	0	110.7	L501 Q891 T899	L501-D895 HydrophobicContact CD1-CB 4.09Å; Q891-D895 WeakPolarHBondContact O-CB 3.42Å; Q891-D895 PolarHBondContact O-N 2.04Å; D895-T899 VanDerWaalsContact O-CB 3.28Å; D895-T899 WeakPolarHBondContact O-CB 3.47Å; D895-T899 PolarHBondContact O-N 3.09Å; D895-T899 PolarHBondContact O-OG1 3.08Å
896	L	88	Confident	85.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-42	178.1	-175.6	161.4	0	0	0	111.8	E502 W505 E514 L892 E894 T899 R900	E502-L896 HydrophobicContact CB-CD1 4.49Å; E502-L896 HydrophobicContact CG-CD1 3.78Å; E502-L896 HydrophobicContact CG-CG 4.26Å; W505-L896 HydrophobicContact CB-CD1 4.26Å; E514-L896 WeakPolarHBondContact OE2-CD2 3.43Å; L892-L896 WeakPolarHBondContact O-CB 3.46Å; L892-L896 PolarHBondContact O-N 2.82Å; E894-L896 VanDerWaalsContact C-N 3.28Å; E894-L896 PolarHBondContact O-N 3.22Å; L896-T899 PolarHBondContact O-N 3.17Å; L896-R900 HydrophobicContact CD2-CG 4.34Å; L896-R900 WeakPolarHBondContact O-CB 3.4Å; L896-R900 WeakPolarHBondContact O-CG 3.33Å; L896-R900 PolarHBondContact O-N 3.44Å
897	S	85.9	Confident	85.7	Confident	62 Å²	62	45.8 Å²	45.8	43%	0.434	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-46.3	173.3	-177.5	0	0	0	0	111.6	A893 E894 R900 H901	A893-S897 VanDerWaalsContact O-CB 3.25Å; A893-S897 WeakPolarHBondContact O-CB 3.5Å; A893-S897 PolarHBondContact O-N 3.38Å; E894-S897 PolarHBondContact O-N 3.23Å; S897-R900 PolarHBondContact O-N 3.18Å; S897-H901 PolarHBondContact O-N 2.88Å
898	R	83.2	Confident	85.6	Confident	122 Å²	122	48.3 Å²	48.3	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-47.6	175.6	-70.7	171.2	-166.3	-145.6	2.2	111.9	E894 R900 H901 I902	E894-R898 WeakPolarHBondContact O-CB 3.41Å; E894-R898 WeakPolarHBondContact O-CG 3.42Å; E894-R898 PolarHBondContact O-N 3.21Å; R898-R900 VanDerWaalsContact C-N 3.31Å; R898-R900 PolarHBondContact O-N 2.89Å; R898-H901 WeakPolarHBondContact O-CB 3.37Å; R898-H901 PolarHBondContact O-N 3.15Å; R898-H901 VanDerWaalsContact O-N 3.16Å; R898-I902 WeakPolarHBondContact O-CG1 3.45Å; R898-I902 PolarHBondContact O-N 3.12Å
899	T	85.8	Confident	85.5	Confident	12 Å²	12	43.3 Å²	43.3	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-40.3	-179.9	-56.1	0	0	0	0	111.2	Y494 I497 R498 L501 D895 L896 I902 Q903	Y494-T899 HydrophobicContact CD1-CG2 4.2Å; I497-T899 HydrophobicContact CB-CG2 4.49Å; I497-T899 HydrophobicContact CG2-CG2 4.12Å; R498-T899 HydrophobicContact CB-CG2 3.7Å; L501-T899 WeakPolarHBondContact CD1-OG1 3.31Å; D895-T899 VanDerWaalsContact O-CB 3.28Å; D895-T899 WeakPolarHBondContact O-CB 3.47Å; D895-T899 PolarHBondContact O-N 3.09Å; D895-T899 PolarHBondContact O-OG1 3.08Å; L896-T899 PolarHBondContact O-N 3.17Å; T899-I902 PolarHBondContact O-N 3.34Å; T899-Q903 WeakPolarHBondContact O-CB 3.23Å; T899-Q903 PolarHBondContact O-N 3.49Å
900	R	86.4	Confident	85.3	Confident	66 Å²	66	42.7 Å²	42.7	25%	0.249	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174	-78.4	-177.2	-177.9	154.4	7.9	111.7	R498 E502 E514 L896 S897 R898 I902 Q903 E904	R498-R900 HydrophobicContact CG-CG 4.43Å; E502-R900 IonicContact OE1-CZ 3.57Å; E502-R900 IonicContact OE1-NE 2.81Å; E502-R900 PolarHBondContact OE1-NE 3.25Å; E502-R900 IonicContact OE1-NH2 3.67Å; E502-R900 PolarHBondContact OE1-NH2 2.82Å; E514-R900 IonicContact OE1-CZ 2.72Å; E514-R900 IonicContact OE1-NH1 3.15Å; E514-R900 IonicContact OE1-NH2 2.74Å; E514-R900 PolarHBondContact OE1-NH2 3.19Å; E514-R900 IonicContact OE2-CZ 3.4Å; E514-R900 VanDerWaalsContact OE2-CZ 3.27Å; E514-R900 IonicContact OE2-NH1 3.17Å; E514-R900 PolarHBondContact OE2-NH1 2.65Å; E514-R900 IonicContact OE2-NH2 2.67Å; E514-R900 PolarHBondContact OE2-NH2 3.03Å; L896-R900 HydrophobicContact CD2-CG 4.34Å; L896-R900 WeakPolarHBondContact O-CB 3.4Å; L896-R900 WeakPolarHBondContact O-CG 3.33Å; L896-R900 PolarHBondContact O-N 3.44Å; S897-R900 PolarHBondContact O-N 3.18Å; R898-R900 VanDerWaalsContact C-N 3.31Å; R898-R900 PolarHBondContact O-N 2.89Å; R900-I902 PolarHBondContact O-N 3.22Å; R900-Q903 PolarHBondContact O-N 3.05Å; R900-E904 WeakPolarHBondContact O-CB 3.02Å; R900-E904 WeakPolarHBondContact O-CG 3.26Å; R900-E904 PolarHBondContact O-N 3.04Å
901	H	84.3	Confident	85.1	Confident	63 Å²	63	45.4 Å²	45.4	29%	0.292	23%	0.225	S	C	.	.	H	α-helix	trans	-57.8	-47.8	178.4	-172.6	55.6	0	0	0	112.3	E201 S897 R898 E904 K905	E201-H901 IonicContact OE1-NE2 2.76Å; S897-H901 PolarHBondContact O-N 2.88Å; R898-H901 WeakPolarHBondContact O-CB 3.37Å; R898-H901 PolarHBondContact O-N 3.15Å; R898-H901 VanDerWaalsContact O-N 3.16Å; H901-E904 PolarHBondContact O-N 3.37Å; H901-K905 WeakPolarHBondContact O-CB 3.39Å; H901-K905 VanDerWaalsContact O-CG 3.28Å; H901-K905 WeakPolarHBondContact O-CG 3.43Å; H901-K905 PolarHBondContact O-N 2.83Å
902	I	81.9	Confident	84.8	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-44.8	178.6	-59.2	159.4	0	0	0	110.7	L202 L205 Y494 R898 T899 R900 E904 K905 L906	L202-I902 HydrophobicContact CD2-CG2 3.9Å; L205-I902 HydrophobicContact CD1-CD1 3.34Å; L205-I902 HydrophobicContact CD1-CG1 3.62Å; Y494-I902 HydrophobicContact CD1-CD1 4.42Å; Y494-I902 HydrophobicContact CD1-CG2 4.27Å; Y494-I902 HydrophobicContact CD2-CG2 3.91Å; Y494-I902 HydrophobicContact CE1-CD1 3.85Å; Y494-I902 HydrophobicContact CE1-CG2 4.17Å; Y494-I902 HydrophobicContact CE2-CG2 3.76Å; Y494-I902 HydrophobicContact CG-CG2 4.17Å; R898-I902 WeakPolarHBondContact O-CG1 3.45Å; R898-I902 PolarHBondContact O-N 3.12Å; T899-I902 PolarHBondContact O-N 3.34Å; R900-I902 PolarHBondContact O-N 3.22Å; I902-E904 VanDerWaalsContact C-N 3.33Å; I902-E904 PolarHBondContact O-N 3.47Å; I902-K905 PolarHBondContact O-N 3.34Å; I902-L906 HydrophobicContact CG2-CD1 3.76Å; I902-L906 HydrophobicContact CG2-CG 4.23Å; I902-L906 WeakPolarHBondContact O-CB 3.4Å; I902-L906 VanDerWaalsContact O-CG 3.29Å; I902-L906 WeakPolarHBondContact O-CG 3.21Å; I902-L906 PolarHBondContact O-N 3.45Å
903	Q	82.9	Confident	84.3	Confident	14 Å²	14	41.5 Å²	41.5	7%	0.065	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-45.8	178.1	-174.2	-165.2	-14.7	0	0	111	R495 T899 R900 K905 L906 E907	R495-Q903 HydrophobicContact CG-CG 4.24Å; T899-Q903 WeakPolarHBondContact O-CB 3.23Å; T899-Q903 PolarHBondContact O-N 3.49Å; R900-Q903 PolarHBondContact O-N 3.05Å; Q903-K905 VanDerWaalsContact C-N 3.28Å; Q903-K905 PolarHBondContact O-N 3.46Å; Q903-L906 PolarHBondContact O-N 3.3Å; Q903-E907 HydrophobicContact CG-CG 4.31Å; Q903-E907 PolarHBondContact NE2-OE1 2.98Å; Q903-E907 VanDerWaalsContact O-CB 3.32Å; Q903-E907 WeakPolarHBondContact O-CB 3.41Å; Q903-E907 VanDerWaalsContact O-CG 3.29Å; Q903-E907 WeakPolarHBondContact O-CG 3.32Å; Q903-E907 PolarHBondContact O-N 3.04Å
904	E	86	Confident	83.9	Confident	116 Å²	116	46.9 Å²	46.9	54%	0.542	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-40.8	177.2	-76.1	174.7	-173.4	0	0	111.4	R900 H901 I902 E907 E908	R900-E904 WeakPolarHBondContact O-CB 3.02Å; R900-E904 WeakPolarHBondContact O-CG 3.26Å; R900-E904 PolarHBondContact O-N 3.04Å; H901-E904 PolarHBondContact O-N 3.37Å; I902-E904 VanDerWaalsContact C-N 3.33Å; I902-E904 PolarHBondContact O-N 3.47Å; E904-E907 PolarHBondContact O-N 3.04Å; E904-E908 WeakPolarHBondContact O-CB 3.4Å; E904-E908 PolarHBondContact O-N 3.42Å
905	K	82.9	Confident	83.4	Confident	33 Å²	33	49.4 Å²	49.4	14%	0.143	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-44.7	177.1	-74.6	-79.8	171.7	-157.2	0	113	V198 E201 H901 I902 Q903 E907 E908 F909	V198-K905 HydrophobicContact CG2-CB 4.45Å; E201-K905 WeakPolarHBondContact OE2-CG 3Å; H901-K905 WeakPolarHBondContact O-CB 3.39Å; H901-K905 VanDerWaalsContact O-CG 3.28Å; H901-K905 WeakPolarHBondContact O-CG 3.43Å; H901-K905 PolarHBondContact O-N 2.83Å; I902-K905 PolarHBondContact O-N 3.34Å; Q903-K905 VanDerWaalsContact C-N 3.28Å; Q903-K905 PolarHBondContact O-N 3.46Å; K905-E907 VanDerWaalsContact C-N 3.33Å; K905-E908 IonicContact NZ-OE2 3.78Å; K905-E908 PolarHBondContact NZ-OE2 2.97Å; K905-E908 PolarHBondContact O-N 3.26Å; K905-F909 WeakPolarHBondContact O-CB 3.31Å; K905-F909 PolarHBondContact O-N 2.99Å
906	L	84.3	Confident	82.6	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-41.1	174.4	-70.9	169.4	0	0	0	111.1	V198 V487 Q490 A491 Y494 I902 Q903 F909 I910	V198-L906 HydrophobicContact CG1-CD2 3.52Å; V198-L906 HydrophobicContact CG1-CG 4.5Å; V487-L906 HydrophobicContact CG1-CD2 3.95Å; Q490-L906 HydrophobicContact CG-CD1 4.39Å; A491-L906 HydrophobicContact CB-CB 4.19Å; A491-L906 HydrophobicContact CB-CD1 4.43Å; Y494-L906 HydrophobicContact CD2-CD1 3.51Å; Y494-L906 HydrophobicContact CE2-CD1 4.1Å; Y494-L906 HydrophobicContact CG-CD1 4.32Å; I902-L906 HydrophobicContact CG2-CD1 3.76Å; I902-L906 HydrophobicContact CG2-CG 4.23Å; I902-L906 WeakPolarHBondContact O-CB 3.4Å; I902-L906 VanDerWaalsContact O-CG 3.29Å; I902-L906 WeakPolarHBondContact O-CG 3.21Å; I902-L906 PolarHBondContact O-N 3.45Å; Q903-L906 PolarHBondContact O-N 3.3Å; L906-F909 PolarHBondContact O-N 3.49Å; L906-I910 WeakPolarHBondContact O-CB 3.5Å; L906-I910 WeakPolarHBondContact O-CD1 3.34Å; L906-I910 WeakPolarHBondContact O-CG1 3.45Å; L906-I910 PolarHBondContact O-N 3.18Å
907	E	85.1	Confident	81.2	Confident	69 Å²	69	58 Å²	58	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-71.3	-40.6	178.6	-74.7	179	174.7	0	0	112.7	R495 Q903 E904 K905 F909 I910 A911	R495-E907 IonicContact CZ-OE1 2.95Å; R495-E907 IonicContact NE-OE1 3.37Å; R495-E907 PolarHBondContact NE-OE1 3.35Å; R495-E907 IonicContact NH2-OE1 2.72Å; R495-E907 PolarHBondContact NH2-OE1 3.44Å; Q903-E907 HydrophobicContact CG-CG 4.31Å; Q903-E907 PolarHBondContact NE2-OE1 2.98Å; Q903-E907 VanDerWaalsContact O-CB 3.32Å; Q903-E907 WeakPolarHBondContact O-CB 3.41Å; Q903-E907 VanDerWaalsContact O-CG 3.29Å; Q903-E907 WeakPolarHBondContact O-CG 3.32Å; Q903-E907 PolarHBondContact O-N 3.04Å; E904-E907 PolarHBondContact O-N 3.04Å; K905-E907 VanDerWaalsContact C-N 3.33Å; E907-F909 VanDerWaalsContact C-N 3.27Å; E907-F909 PolarHBondContact O-N 3.44Å; E907-I910 PolarHBondContact O-N 3.33Å; E907-A911 VanDerWaalsContact O-CB 3.26Å; E907-A911 WeakPolarHBondContact O-CB 3.47Å; E907-A911 PolarHBondContact O-N 2.99Å
908	E	84.3	Confident	81	Confident	83 Å²	83	57.8 Å²	57.8	39%	0.388	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-45.2	171.3	180	174.2	-149.8	0	0	110	E904 K905 A911 A912	E904-E908 WeakPolarHBondContact O-CB 3.4Å; E904-E908 PolarHBondContact O-N 3.42Å; K905-E908 IonicContact NZ-OE2 3.78Å; K905-E908 PolarHBondContact NZ-OE2 2.97Å; K905-E908 PolarHBondContact O-N 3.26Å; E908-A911 PolarHBondContact O-N 3.2Å; E908-A912 WeakPolarHBondContact O-CB 3.43Å; E908-A912 PolarHBondContact O-N 3.23Å
909	F	83.4	Confident	80.8	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-43.6	177.3	177.1	-105.6	0	0	0	113.1	L191 M194 Y195 V198 W480 V483 V487 K905 L906 E907 A911 A912 L913	L191-F909 HydrophobicContact CD2-CD2 4.29Å; L191-F909 HydrophobicContact CD2-CE2 4.12Å; L191-F909 VanDerWaalsContact O-CE2 3.24Å; L191-F909 WeakPolarHBondContact O-CE2 3.44Å; M194-F909 HydrophobicContact CB-CD2 3.82Å; Y195-F909 AromaticContact CD2-CE1 3.9Å; Y195-F909 HydrophobicContact CD2-CE1 3.9Å; Y195-F909 HydrophobicContact CD2-CE2 4.33Å; Y195-F909 AromaticContact CD2-CZ 3.56Å; Y195-F909 HydrophobicContact CD2-CZ 3.56Å; Y195-F909 HydrophobicContact CG-CE2 4.43Å; Y195-F909 HydrophobicContact CG-CZ 4.01Å; V198-F909 HydrophobicContact CG2-CB 4.26Å; W480-F909 AromaticContact CZ3-CZ 3.99Å; W480-F909 HydrophobicContact CZ3-CZ 3.99Å; V483-F909 HydrophobicContact CG1-CE1 4.06Å; V483-F909 HydrophobicContact CG1-CZ 4.05Å; V487-F909 HydrophobicContact CB-CE1 4.36Å; V487-F909 HydrophobicContact CG1-CD1 3.8Å; V487-F909 HydrophobicContact CG1-CE1 4.03Å; V487-F909 HydrophobicContact CG2-CE1 4.03Å; K905-F909 WeakPolarHBondContact O-CB 3.31Å; K905-F909 PolarHBondContact O-N 2.99Å; L906-F909 PolarHBondContact O-N 3.49Å; E907-F909 VanDerWaalsContact C-N 3.27Å; E907-F909 PolarHBondContact O-N 3.44Å; F909-A911 VanDerWaalsContact C-N 3.31Å; F909-A911 PolarHBondContact O-N 2.92Å; F909-A912 PolarHBondContact O-N 3.23Å; F909-L913 HydrophobicContact CD1-CD1 3.81Å; F909-L913 HydrophobicContact CD1-CG 4.33Å; F909-L913 HydrophobicContact CE1-CD1 3.3Å; F909-L913 HydrophobicContact CE1-CD2 4.5Å; F909-L913 HydrophobicContact CE1-CG 3.94Å; F909-L913 HydrophobicContact CE2-CD1 4.36Å; F909-L913 HydrophobicContact CE2-CD2 4.28Å; F909-L913 HydrophobicContact CE2-CG 4.11Å; F909-L913 HydrophobicContact CZ-CD1 3.64Å; F909-L913 HydrophobicContact CZ-CD2 3.99Å; F909-L913 HydrophobicContact CZ-CG 3.85Å; F909-L913 WeakPolarHBondContact O-CG 3.23Å; F909-L913 PolarHBondContact O-N 3.28Å
910	I	83.3	Confident	80.6	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-41	174.6	-70.9	163.8	0	0	0	110.8	V487 E488 A491 L906 E907 L913 K914	V487-I910 HydrophobicContact CG1-CD1 4.18Å; V487-I910 HydrophobicContact CG1-CG1 3.9Å; E488-I910 HydrophobicContact CG-CD1 4.4Å; A491-I910 HydrophobicContact CB-CD1 3.57Å; L906-I910 WeakPolarHBondContact O-CB 3.5Å; L906-I910 WeakPolarHBondContact O-CD1 3.34Å; L906-I910 WeakPolarHBondContact O-CG1 3.45Å; L906-I910 PolarHBondContact O-N 3.18Å; E907-I910 PolarHBondContact O-N 3.33Å; I910-L913 PolarHBondContact O-N 3.4Å; I910-K914 HydrophobicContact CG2-CD 4.24Å; I910-K914 WeakPolarHBondContact O-CG 3.35Å; I910-K914 PolarHBondContact O-N 3.06Å
911	A	83.9	Confident	80.2	Confident	58 Å²	58	56.2 Å²	56.2	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-43.5	176.5	0	0	0	0	0	111.1	E907 E908 F909 L913 K914 A915	E907-A911 VanDerWaalsContact O-CB 3.26Å; E907-A911 WeakPolarHBondContact O-CB 3.47Å; E907-A911 PolarHBondContact O-N 2.99Å; E908-A911 PolarHBondContact O-N 3.2Å; F909-A911 VanDerWaalsContact C-N 3.31Å; F909-A911 PolarHBondContact O-N 2.92Å; A911-L913 VanDerWaalsContact C-N 3.35Å; A911-K914 PolarHBondContact O-N 3.24Å; A911-A915 WeakPolarHBondContact O-CB 3.39Å; A911-A915 PolarHBondContact O-N 3.15Å
912	A	81.1	Confident	80	Confident	23 Å²	23	55.8 Å²	55.8	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-38	175.6	0	0	0	0	0	112.2	L191 M194 E908 F909 A915 S916	L191-A912 HydrophobicContact CD2-CB 3.53Å; M194-A912 HydrophobicContact CE-CB 3.45Å; M194-A912 VanDerWaalsContact CE-CB 3.45Å; M194-A912 HydrophobicContact SD-CB 4.21Å; E908-A912 WeakPolarHBondContact O-CB 3.43Å; E908-A912 PolarHBondContact O-N 3.23Å; F909-A912 PolarHBondContact O-N 3.23Å; A912-A915 PolarHBondContact O-N 3.24Å; A912-S916 PolarHBondContact O-N 3.28Å; A912-S916 VanDerWaalsContact O-N 3.16Å
913	L	78	Confident	79.8	Confident	18 Å²	18	58.7 Å²	58.7	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-49.4	174.2	-79	174.6	0	0	0	111.1	L191 W480 F909 I910 A911 A915 S916 E917	L191-L913 HydrophobicContact CD1-CD2 4.35Å; L191-L913 HydrophobicContact CD2-CD2 4.02Å; L191-L913 HydrophobicContact CD2-CG 4.15Å; W480-L913 HydrophobicContact CE3-CD2 3.63Å; W480-L913 HydrophobicContact CH2-CD2 4.35Å; W480-L913 HydrophobicContact CZ3-CD2 3.43Å; W480-L913 VanDerWaalsContact CZ3-CD2 3.43Å; F909-L913 HydrophobicContact CD1-CD1 3.81Å; F909-L913 HydrophobicContact CD1-CG 4.33Å; F909-L913 HydrophobicContact CE1-CD1 3.3Å; F909-L913 HydrophobicContact CE1-CD2 4.5Å; F909-L913 HydrophobicContact CE1-CG 3.94Å; F909-L913 HydrophobicContact CE2-CD1 4.36Å; F909-L913 HydrophobicContact CE2-CD2 4.28Å; F909-L913 HydrophobicContact CE2-CG 4.11Å; F909-L913 HydrophobicContact CZ-CD1 3.64Å; F909-L913 HydrophobicContact CZ-CD2 3.99Å; F909-L913 HydrophobicContact CZ-CG 3.85Å; F909-L913 WeakPolarHBondContact O-CG 3.23Å; F909-L913 PolarHBondContact O-N 3.28Å; I910-L913 PolarHBondContact O-N 3.4Å; A911-L913 VanDerWaalsContact C-N 3.35Å; L913-A915 VanDerWaalsContact C-N 3.26Å; L913-A915 PolarHBondContact O-N 3.23Å; L913-S916 PolarHBondContact O-N 3.37Å; L913-S916 VanDerWaalsContact O-N 3.13Å; L913-S916 PolarHBondContact O-OG 3.49Å; L913-E917 PolarHBondContact O-N 3.45Å
914	K	78.6	Confident	79.6	Confident	117 Å²	117	61.9 Å²	61.9	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-30.6	177.5	-72.3	176.5	-179.5	177.3	0	113.1	I910 A911 S916	I910-K914 HydrophobicContact CG2-CD 4.24Å; I910-K914 WeakPolarHBondContact O-CG 3.35Å; I910-K914 PolarHBondContact O-N 3.06Å; A911-K914 PolarHBondContact O-N 3.24Å; K914-S916 VanDerWaalsContact C-N 3.32Å
915	A	76.4	Confident	79.1	Confident	82 Å²	82	57.7 Å²	57.7	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-77.8	-16.1	176.9	0	0	0	0	0	113.7	A911 A912 L913	A911-A915 WeakPolarHBondContact O-CB 3.39Å; A911-A915 PolarHBondContact O-N 3.15Å; A912-A915 PolarHBondContact O-N 3.24Å; L913-A915 VanDerWaalsContact C-N 3.26Å; L913-A915 PolarHBondContact O-N 3.23Å
916	S	68.8	Low	78.8	Confident	69 Å²	69	59.8 Å²	59.8	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-90.4	-14.2	177.3	71.5	0	0	0	0	114.6	L191 A912 L913 K914	L191-S916 VanDerWaalsContact CD1-CB 3.42Å; L191-S916 VanDerWaalsContact CD1-OG 3.22Å; L191-S916 WeakPolarHBondContact CD1-OG 3.03Å; A912-S916 PolarHBondContact O-N 3.28Å; A912-S916 VanDerWaalsContact O-N 3.16Å; L913-S916 PolarHBondContact O-N 3.37Å; L913-S916 VanDerWaalsContact O-N 3.13Å; L913-S916 PolarHBondContact O-OG 3.49Å; K914-S916 VanDerWaalsContact C-N 3.32Å
917	E	58.9	Low	78.3	Confident	182 Å²	182	65.1 Å²	65.1	85%	0.85	37%	0.37	S	S	*	.			trans	-75	0	165.9	-67.6	178.2	174.3	0	0	109.8	K484 L913	K484-E917 IonicContact NZ-OE1 3.43Å; K484-E917 PolarHBondContact NZ-OE1 2.74Å; K484-E917 IonicContact NZ-OE2 2.64Å; K484-E917 PolarHBondContact NZ-OE2 3.39Å; L913-E917 PolarHBondContact O-N 3.45Å

Retrieved 917 of 917 residues in 839.1 ms (Link to these results)

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