A0A087YMM3_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087YMM3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 875 aa.

						>A0A087YMM3_POEFO|A0A087YMM3
DGKRKVDYILCYKYKKRRSCKRLSISSNGNLPIILPIRLEAEAESGEAGGAAGDAEDSKLTEEEKALMREEFEAGLLEAGLQIERDKEDSCLKLNGISFIRLHIPWSILSREAELQKIKVAVKKKCELRKRTGIAGMWDTVISQLNRPFQPDVPDNDIHKDSQSHVNFKTLKHSFIRDKLHLYDIKSTATLFDNATRSRIVAEIISRTTCTRTCQTTEGISSLLARGVYISAFPLHDGPFTRRGRKDQRNERQLLHEEWANYGVMFKYQPVDLIRKYFGEQIGLYFAWLGVYTQLLIPPSVLGIIVFLYGILTVDTNVPSQETCDDNLNITMCPLCDAVCDYWRLSSVCSLARASYLFDNGATVLFAIFMSLWAACFLEHWKRRQMCLKHSWDLTSLEHEEERVQDELRPEYAEALQEKKAKLKAQAKKKLPRNCPFLTYLKFFNLYFTVSLGLCFTIFVTFSAVFGVVVYRICMLSVWSMNPDPEAKASVRMTVTTTGIILNMLVVLVLEEVYGAIAVWLTELELPKTEEEFEERLIFKSFFLKSMNAFAPIFYVAFFKGRFAGRPGDYVYVFGDYRMEECAPPGCLIELCIQLSMIMLGKQLIQNNVFEILIPKMKKMYRTIQEEKGKKRAAESEENETEEIRPKQQFDKDFALEPFEGVSPEYMEMIIQYGFVSLFVASFPLAPAFALLNNVIEIRLDAAKFVTEIRRPDAVRCKDIGIWYNILCGISKFSVITNAFVISFTSEFVPRMVYQYMYSGNGTMSGYTEHSLSYFNVSNFPPGTAPTTTLITGVSMCRRYKDYRDPPWASDAYTFSKQYWSVLAARLAFVIFFQNLAMFLSMLVAWMIPDVPRSLREQLKKENMALMEFLLGQDQ
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	D	54.2	Low	79.4	Confident	150 Å²	150	65.9 Å²	65.9	80%	0.802	35%	0.347	S	S	*	.				0	-21	0	-60.4	-3.9	0	0	0	116.8	K3	D1-K3 PolarHBondContact O-N 3.34Å
2	G	66.4	Low	80	Confident	89 Å²	89	63 Å²	63	92%	0.918	33%	0.328	S	S	*	.			trans	68.1	-6.3	-178.5	0	0	0	0	0	115.3
3	K	69.9	Low	80	Confident	197 Å²	197	67.2 Å²	67.2	86%	0.857	34%	0.343	S	S	*	.	S	Bend	trans	-92	-23.8	178.3	-65.1	-178.9	-179	-179.8	0	113.7	D1	D1-K3 PolarHBondContact O-N 3.34Å
4	R	76.4	Confident	79.1	Confident	146 Å²	146	69.5 Å²	69.5	55%	0.551	35%	0.346	S	S	*	.	S	Bend	trans	-109.2	138.8	-178	-59.7	-177.8	-169	168.6	9.4	109.4	Q82	R4-Q82 VanDerWaalsContact CZ-OE1 3.28Å
5	K	80.6	Confident	77.9	Confident	88 Å²	88	73.3 Å²	73.3	38%	0.383	36%	0.36	S	S	.	.			trans	-89	137.3	179.1	-172.8	171	-178.3	164.6	0	109.8	H103 N194 D237	K5-H103 PolarHBondContact O-ND1 2.84Å; K5-N194 PolarHBondContact NZ-ND2 2.95Å; K5-N194 PolarHBondContact NZ-OD1 3.44Å; K5-D237 IonicContact NZ-OD1 2.76Å
6	V	84.9	Confident	75.9	Confident	41 Å²	41	79.1 Å²	79.1	25%	0.248	38%	0.382	C	S	.	.			trans	-80.8	120.3	172.1	-177.2	0	0	0	0	108	I9 R101 L235	V6-I9 HydrophobicContact CG1-CD1 4.47Å; V6-I9 HydrophobicContact CG1-CG1 4Å; V6-R101 HydrophobicContact CG1-CB 4.02Å; V6-R101 HydrophobicContact CG1-CG 4.12Å; V6-R101 HydrophobicContact CG2-CB 4.23Å; V6-R101 HydrophobicContact CG2-CG 4.3Å; V6-L235 HydrophobicContact CB-CD1 3.83Å; V6-L235 HydrophobicContact CG1-CD1 3.63Å
7	D	85.8	Confident	74	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.021	40%	0.404	C	S	.	.			trans	-98.5	-28.4	-176.6	-62.6	-63.5	0	0	0	112	L102 H103 I104 R197 S198 V201	D7-L102 PolarHBondContact N-O 3.36Å; D7-H103 IonicContact OD2-CE1 3.4Å; D7-H103 IonicContact OD2-CG 2.78Å; D7-H103 IonicContact OD2-ND1 3.66Å; D7-H103 PolarHBondContact OD2-ND1 3.32Å; D7-H103 VanDerWaalsContact OD2-ND1 3.17Å; D7-I104 WeakPolarHBondContact OD2-CG2 3.26Å; D7-I104 PolarHBondContact OD2-N 2.83Å; D7-R197 VanDerWaalsContact CG-NH2 3.29Å; D7-R197 IonicContact OD1-CZ 2.94Å; D7-R197 VanDerWaalsContact OD1-CZ 3.3Å; D7-R197 IonicContact OD1-NE 3.6Å; D7-R197 PolarHBondContact OD1-NE 3.42Å; D7-R197 IonicContact OD1-NH2 3.89Å; D7-R197 PolarHBondContact OD1-NH2 2.68Å; D7-R197 IonicContact OD2-CZ 3.51Å; D7-R197 IonicContact OD2-NE 2.81Å; D7-R197 IonicContact OD2-NH2 2.77Å; D7-R197 PolarHBondContact OD2-NH2 2.67Å; D7-S198 PolarHBondContact O-OG 3.01Å; D7-V201 HydrophobicContact CB-CG2 4.11Å
8	Y	89.6	Confident	71.7	Confident	10 Å²	10	95.1 Å²	95.1	4%	0.039	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.5	-177.2	-142.5	-91.3	0	0	0	112.1	L10 L102 V201 A202 I205 A232 P234 D713	Y8-L10 HydrophobicContact CD1-CD2 4.41Å; Y8-L102 PolarHBondContact N-O 3.06Å; Y8-L102 PolarHBondContact O-N 2.77Å; Y8-V201 HydrophobicContact CD2-CB 4.44Å; Y8-V201 HydrophobicContact CD2-CG1 4.13Å; Y8-V201 HydrophobicContact CG-CG1 3.91Å; Y8-A202 HydrophobicContact CE2-CB 4.03Å; Y8-I205 HydrophobicContact CD1-CD1 3.79Å; Y8-I205 HydrophobicContact CE1-CD1 4.15Å; Y8-I205 HydrophobicContact CG-CD1 4.16Å; Y8-A232 HydrophobicContact CE1-CB 3.89Å; Y8-P234 HydrophobicContact CD2-CB 4.2Å; Y8-P234 HydrophobicContact CE2-CB 4.18Å; Y8-P234 HydrophobicContact CE2-CG 4.42Å; Y8-D713 WeakPolarHBondContact CE2-OD1 3.47Å; Y8-D713 PolarHBondContact OH-OD1 3.47Å; Y8-D713 VanDerWaalsContact OH-OD1 3.13Å; Y8-D713 PolarHBondContact OH-OD2 3.45Å; Y8-D713 VanDerWaalsContact OH-OD2 3.05Å
9	I	90.1	Very high	69.6	Low	0 Å²	0	95.6 Å²	95.6	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.8	178.2	-65.4	-171.4	0	0	0	111.4	V6 F99 I100 A232 F233 L235 F650	V6-I9 HydrophobicContact CG1-CD1 4.47Å; V6-I9 HydrophobicContact CG1-CG1 4Å; I9-F99 HydrophobicContact CG2-CB 4.43Å; I9-F99 HydrophobicContact CG2-CD1 3.93Å; I9-I100 WeakPolarHBondContact CA-O 3.19Å; I9-A232 WeakPolarHBondContact O-CA 3.42Å; I9-F233 HydrophobicContact CG2-CZ 4.38Å; I9-F233 PolarHBondContact N-O 3.5Å; I9-F233 PolarHBondContact O-N 3.45Å; I9-L235 HydrophobicContact CD1-CD1 3.82Å; I9-L235 HydrophobicContact CD1-CD2 3.5Å; I9-L235 HydrophobicContact CD1-CG 3.7Å; I9-L235 HydrophobicContact CG1-CD1 4.27Å; I9-L235 HydrophobicContact CG1-CD2 4.34Å; I9-L235 HydrophobicContact CG1-CG 4.09Å; I9-F650 HydrophobicContact CD1-CB 3.19Å; I9-F650 HydrophobicContact CD1-CD1 4.35Å; I9-F650 HydrophobicContact CD1-CG 4.04Å
10	L	88.8	Confident	67.6	Low	0 Å²	0	97 Å²	97	0%	0	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.6	165.6	-49	176.1	0	0	0	109.5	Y8 F72 L76 I100 L102 I220 Y229 A232	Y8-L10 HydrophobicContact CD1-CD2 4.41Å; L10-F72 HydrophobicContact CD1-CE1 4.27Å; L10-L76 HydrophobicContact CD1-CD1 4.22Å; L10-I100 HydrophobicContact CB-CB 4.12Å; L10-I100 PolarHBondContact N-O 3.25Å; L10-I100 PolarHBondContact O-N 2.93Å; L10-L102 HydrophobicContact CD1-CD1 4.05Å; L10-L102 HydrophobicContact CD2-CD1 4.39Å; L10-L102 HydrophobicContact CG-CD1 3.96Å; L10-I220 HydrophobicContact CD2-CD1 3.45Å; L10-I220 VanDerWaalsContact CD2-CD1 3.45Å; L10-Y229 HydrophobicContact CB-CD1 4.02Å; L10-Y229 HydrophobicContact CB-CE1 3.92Å; L10-Y229 HydrophobicContact CD1-CE1 4.17Å; L10-A232 HydrophobicContact CD2-CB 3.63Å
11	C	87.2	Confident	65.7	Low	0 Å²	0	101.3 Å²	101.3	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.1	-178.4	175.4	0	0	0	0	110.3	I97 S98 F99 I230 S231 F654	C11-I97 WeakPolarHBondContact SG-CG2 3.29Å; C11-S98 WeakPolarHBondContact CA-O 3.43Å; C11-F99 HydrophobicContact CB-CD1 4.12Å; C11-F99 HydrophobicContact CB-CE1 4.2Å; C11-I230 PolarHBondContact O-N 3.44Å; C11-S231 PolarHBondContact N-O 3.22Å; C11-F654 HydrophobicContact CB-CD2 4.42Å; C11-F654 HydrophobicContact CB-CE2 4.17Å; C11-F654 WeakPolarHBondContact SG-CE2 3.01Å
12	Y	85.9	Confident	64.5	Low	31 Å²	31	105.9 Å²	105.9	12%	0.122	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.3	174.8	67.7	-87.7	0	0	0	112	Y14 S98 I100 Y229	Y12-Y14 HydrophobicContact CE2-CD2 4.25Å; Y12-S98 VanDerWaalsContact CE2-CB 3.49Å; Y12-S98 WeakPolarHBondContact CE2-OG 3.4Å; Y12-S98 PolarHBondContact N-O 3.09Å; Y12-S98 VanDerWaalsContact N-O 3.09Å; Y12-S98 PolarHBondContact O-N 3.42Å; Y12-S98 WeakPolarHBondContact OH-CB 3.27Å; Y12-S98 PolarHBondContact OH-OG 3.17Å; Y12-I100 HydrophobicContact CD1-CD1 4.01Å; Y12-I100 HydrophobicContact CD1-CG1 4.19Å; Y12-I100 HydrophobicContact CE1-CD1 3.71Å; Y12-I100 HydrophobicContact CE1-CG1 3.73Å; Y12-Y229 HydrophobicContact CD1-CD1 4.45Å; Y12-Y229 HydrophobicContact CD1-CE1 4.19Å
13	K	80.4	Confident	62.7	Low	118 Å²	118	109.1 Å²	109.1	51%	0.513	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	175.3	-155.5	170.4	-179	171.4	0	110	G96 I230	K13-G96 CarbonylContact C-O 3.46Å; K13-G96 WeakPolarHBondContact CA-O 3.29Å; K13-G96 WeakPolarHBondContact CG-O 3.31Å; K13-I230 HydrophobicContact CB-CD1 4.02Å
14	Y	67.8	Low	60.7	Low	99 Å²	99	105.2 Å²	105.2	39%	0.388	48%	0.484	S	S	.	.			trans	-101.1	110.4	171.1	-166.9	-104.5	0	0	0	110	Y12 G96	Y12-Y14 HydrophobicContact CE2-CD2 4.25Å; Y14-G96 PolarHBondContact N-O 3Å
15	K	59.9	Low	58.6	Low	127 Å²	127	105.6 Å²	105.6	55%	0.552	50%	0.495	S	S	*	.			trans	-92.8	125.3	171	-76	179.7	-172.5	156.5	0	109.8	R17 E62	K15-R17 PolarHBondContact O-N 3.5Å; K15-E62 IonicContact NZ-OE1 3.92Å; K15-E62 PolarHBondContact NZ-OE1 2.91Å; K15-E62 VanDerWaalsContact NZ-OE1 3.07Å
16	K	45.9	Very low	56.2	Low	165 Å²	165	106.4 Å²	106.4	72%	0.717	51%	0.512	S	S	*	.			trans	-59.8	128.2	177.3	-167.3	174.3	-175.6	173.5	0	110.2	R18 L92	K16-R18 PolarHBondContact O-N 2.97Å; K16-R18 VanDerWaalsContact O-N 3.17Å; K16-L92 HydrophobicContact CD-CD2 4.3Å
17	R	43.5	Very low	53.5	Low	199 Å²	199	109.2 Å²	109.2	75%	0.751	53%	0.533	S	S	*	.			trans	-58.9	115.7	161.1	-91.3	179.8	169.8	167.5	-3.6	107.7	K15 S19 E63	K15-R17 PolarHBondContact O-N 3.5Å; R17-S19 PolarHBondContact O-N 3.37Å; R17-E63 IonicContact CZ-OE1 3.36Å; R17-E63 IonicContact NE-OE1 2.79Å; R17-E63 IonicContact NH2-OE1 3.22Å; R17-E63 PolarHBondContact NH2-OE1 3.17Å
18	R	33.7	Very low	50.8	Low	247 Å²	247	116.7 Å²	116.7	93%	0.932	57%	0.573	S	S	*	*			trans	-61.5	109.3	159.8	-86.7	-176.7	173.2	178.1	-1.4	105.9	K16 C20	K16-R18 PolarHBondContact O-N 2.97Å; K16-R18 VanDerWaalsContact O-N 3.17Å; R18-C20 PolarHBondContact O-N 3.19Å
19	S	31.7	Very low	48	Very low	106 Å²	106	119.5 Å²	119.5	74%	0.741	61%	0.605	S	S	*	*			trans	-58.5	114.4	177.3	65.9	0	0	0	0	108.2	R17 K21	R17-S19 PolarHBondContact O-N 3.37Å; S19-K21 PolarHBondContact O-N 3.3Å; S19-K21 VanDerWaalsContact O-N 3.15Å
20	C	28.8	Very low	44.9	Very low	122 Å²	122	127.7 Å²	127.7	82%	0.824	65%	0.649	S	S	*	*			trans	-55.5	120.8	161.1	-162.4	0	0	0	0	106.3	R18 R22	R18-C20 PolarHBondContact O-N 3.19Å; C20-R22 PolarHBondContact O-N 3.42Å
21	K	28.7	Very low	42.1	Very low	189 Å²	189	134.9 Å²	134.9	82%	0.822	69%	0.687	S	S	*	*			trans	-50.4	109.3	176.2	-80.5	177.6	174.3	177.4	0	108	S19 L23	S19-K21 PolarHBondContact O-N 3.3Å; S19-K21 VanDerWaalsContact O-N 3.15Å; K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 3.41Å
22	R	29.3	Very low	39.4	Very low	246 Å²	246	140.9 Å²	140.9	93%	0.928	73%	0.726	S	S	*	*			trans	-65.3	96.5	163.1	-114.5	179.3	174.3	173.4	-1.6	106	C20 S24	C20-R22 PolarHBondContact O-N 3.42Å; R22-S24 PolarHBondContact O-N 2.93Å
23	L	27.9	Very low	36.8	Very low	156 Å²	156	146 Å²	146	82%	0.817	75%	0.754	S	S	*	*			trans	-72.3	104.2	161.2	-86.7	156.8	0	0	0	106.8	K21 I25	K21-L23 VanDerWaalsContact C-N 3.31Å; K21-L23 PolarHBondContact O-N 3.41Å; L23-I25 PolarHBondContact O-N 2.68Å
24	S	28.3	Very low	34.2	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	77%	0.77	S	S	*	*			trans	-71.8	110.2	165.3	50.4	0	0	0	0	108.9	R22	R22-S24 PolarHBondContact O-N 2.93Å
25	I	32.2	Very low	32.1	Very low	154 Å²	154	151 Å²	151	79%	0.79	79%	0.79	S	S	*	*			trans	-130	134.8	159	-63.7	-178.8	0	0	0	108.5	L23	L23-I25 PolarHBondContact O-N 2.68Å
26	S	29.1	Very low	30.6	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	80%	0.8	S	S	*	*			trans	-59.8	144.6	-168.1	50.9	0	0	0	0	116.8
27	S	28.7	Very low	29.5	Very low	100 Å²	100	149.9 Å²	149.9	70%	0.699	80%	0.803	S	S	*	*			trans	9.4	116.7	138	175.5	0	0	0	0	118.1
28	N	29.7	Very low	28.6	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	81%	0.806	S	S	*	*				-165.8	141.5	116.6	-91.9	-10.8	0	0	0	110.2
29	G	29.3	Very low	28.2	Very low	69 Å²	69	146.5 Å²	146.5	71%	0.711	80%	0.801	S	S	*	*			trans	-79.4	152.5	-158.6	0	0	0	0	0	117.6
30	N	25	Very low	27.7	Very low	172 Å²	172	148.8 Å²	148.8	92%	0.92	80%	0.8	S	S	*	*				178.4	137.9	122	-99.4	-10.5	0	0	0	109
31	L	30.4	Very low	27.5	Very low	151 Å²	151	147.9 Å²	147.9	79%	0.791	80%	0.802	S	S	*	*			trans	-65.7	150.6	168.1	-102.3	108.7	0	0	0	110.2
32	P	30.8	Very low	27.2	Very low	126 Å²	126	148.1 Å²	148.1	82%	0.818	81%	0.806	S	S	*	*				-149.6	175.7	72.5	35.6	-13	0	0	0	117.9
33	I	30.6	Very low	26.9	Very low	140 Å²	140	141.1 Å²	141.1	72%	0.718	80%	0.801	S	S	*	*			trans	-60.2	149.7	178.6	-63.7	154.8	0	0	0	113.8
34	I	26.7	Very low	26.7	Very low	164 Å²	164	143.3 Å²	143.3	84%	0.841	81%	0.806	S	S	*	*			trans	176.7	145.6	134.4	-86.1	153.3	0	0	0	113.2
35	L	23.5	Very low	26.3	Very low	156 Å²	156	143.7 Å²	143.7	82%	0.817	81%	0.809	S	S	*	*			trans	-23.7	168.6	173.7	-109.9	71.6	0	0	0	122.8
36	P	28	Very low	25.9	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	81%	0.811	S	S	*	*			trans	-85.9	139.5	-167.1	36.2	-31.8	0	0	0	113.1
37	I	23.6	Very low	25.6	Very low	153 Å²	153	144.6 Å²	144.6	79%	0.785	82%	0.82	S	S	*	*			trans	-116.4	117.8	172	-70.2	172.1	0	0	0	109.5	L39	I37-L39 HydrophobicContact CG2-CD1 4.23Å
38	R	25.2	Very low	25.3	Very low	215 Å²	215	144.7 Å²	144.7	81%	0.811	83%	0.827	S	S	*	*			trans	-51.9	130.6	160.2	179.6	-178.9	-178.4	175.8	-1.3	110.1
39	L	23.8	Very low	24.9	Very low	160 Å²	160	141 Å²	141	84%	0.838	83%	0.827	S	S	*	*			trans	-138.3	122.6	160.2	-125.5	111.2	0	0	0	111	I37	I37-L39 HydrophobicContact CG2-CD1 4.23Å
40	E	22.2	Very low	24.5	Very low	153 Å²	153	141.7 Å²	141.7	72%	0.715	83%	0.833	S	S	*	*			trans	-62	146.9	165.6	-70	161.3	164.8	0	0	109.6
41	A	24.9	Very low	24.4	Very low	103 Å²	103	138.3 Å²	138.3	85%	0.851	83%	0.829	S	S	*	*			trans	-127.7	119.5	166.3	0	0	0	0	0	108.5
42	E	22.2	Very low	24.1	Very low	195 Å²	195	136 Å²	136	91%	0.911	83%	0.832	S	S	*	*			trans	-64.7	159	180	-70.4	170.6	133.3	0	0	113
43	A	23.1	Very low	23.7	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	83%	0.834	S	S	*	*			trans	-75.7	139.2	175.3	0	0	0	0	0	111.8
44	E	22.8	Very low	23.4	Very low	201 Å²	201	135 Å²	135	94%	0.939	84%	0.841	S	S	*	*			trans	-138.9	133.1	148.7	-88.7	-169	162.9	0	0	110.5
45	S	21	Very low	23.4	Very low	124 Å²	124	131.4 Å²	131.4	87%	0.867	84%	0.836	S	S	*	*			trans	-88.8	147.8	-173.5	48.1	0	0	0	0	113
46	G	23.2	Very low	23.6	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	84%	0.842	S	S	*	*			trans	-176.5	103.1	164.6	0	0	0	0	0	113.4
47	E	22.2	Very low	23.9	Very low	198 Å²	198	134.7 Å²	134.7	93%	0.925	84%	0.841	S	S	*	*			trans	-41.7	164.4	171.8	-68.5	170.8	155.7	0	0	116.3
48	A	22.8	Very low	24.6	Very low	103 Å²	103	130.5 Å²	130.5	85%	0.851	83%	0.826	S	S	*	*			cis	-171.8	158.3	-7.9	0	0	0	0	0	107.3
49	G	22.1	Very low	25.7	Very low	82 Å²	82	130.4 Å²	130.4	85%	0.845	83%	0.831	S	S	*	*			trans	152.6	100.2	167.4	0	0	0	0	0	113.5
50	G	20.8	Very low	27.6	Very low	83 Å²	83	125 Å²	125	86%	0.856	80%	0.803	S	S	*	*			trans	-90.9	165.7	-161.5	0	0	0	0	0	117.6
51	A	22.8	Very low	30.1	Very low	101 Å²	101	121.6 Å²	121.6	84%	0.835	79%	0.793	S	S	*	*			trans	-161.8	119.7	151.2	0	0	0	0	0	109.4
52	A	24.3	Very low	32.6	Very low	102 Å²	102	120 Å²	120	84%	0.843	77%	0.768	S	S	*	*			trans	28.5	120	158.2	0	0	0	0	0	119.4	D54	A52-D54 PolarHBondContact O-N 3.25Å
53	G	21.8	Very low	35.2	Very low	83 Å²	83	116.4 Å²	116.4	86%	0.856	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-70.4	123	-173.8	0	0	0	0	0	114
54	D	24.8	Very low	37.9	Very low	162 Å²	162	116 Å²	116	87%	0.866	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-79.6	137.2	145.5	-83.8	-31	0	0	0	107.7	A52	A52-D54 PolarHBondContact O-N 3.25Å
55	A	26.8	Very low	40.7	Very low	90 Å²	90	107.4 Å²	107.4	74%	0.744	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-51.8	142.1	178.8	0	0	0	0	0	111.7	D57	A55-D57 PolarHBondContact O-N 3.4Å
56	E	27.2	Very low	43.6	Very low	202 Å²	202	103 Å²	103	94%	0.944	66%	0.663	S	S	*	*			trans	-56.2	95.5	179.3	-71.4	-173.2	138.4	0	0	111.7	S58	E56-S58 PolarHBondContact O-N 2.86Å
57	D	35.1	Very low	46.5	Very low	139 Å²	139	103.3 Å²	103.3	74%	0.743	65%	0.645	S	S	*	*			trans	-61.6	122.6	168.2	-96.3	-22	0	0	0	109.6	A55 K59	A55-D57 PolarHBondContact O-N 3.4Å; D57-K59 PolarHBondContact O-N 3.41Å
58	S	38	Very low	49.2	Very low	65 Å²	65	94.3 Å²	94.3	46%	0.455	60%	0.603	S	S	.	*			trans	-45.3	132.2	172.6	59.5	0	0	0	0	112.7	E56 L60	E56-S58 PolarHBondContact O-N 2.86Å; S58-L60 PolarHBondContact O-N 2.89Å
59	K	49	Very low	52.2	Low	213 Å²	213	90.4 Å²	90.4	93%	0.926	57%	0.566	S	S	*	*			trans	-67.2	71.5	-179.5	-69.9	176.4	177.8	174.7	0	112.2	D57	D57-K59 PolarHBondContact O-N 3.41Å
60	L	61.9	Low	55.3	Low	48 Å²	48	92.4 Å²	92.4	25%	0.251	55%	0.553	S	S	.	*			trans	-103.3	126.5	165.4	-76.2	164.5	0	0	0	109	S58 E64 K65 M68 R226	S58-L60 PolarHBondContact O-N 2.89Å; L60-E64 HydrophobicContact CD2-CB 4.5Å; L60-K65 HydrophobicContact CB-CG 4.15Å; L60-M68 HydrophobicContact CD1-CE 3.98Å; L60-M68 HydrophobicContact CD2-CE 4.08Å; L60-R226 HydrophobicContact CD1-CB 4.15Å
61	T	76.4	Confident	58.4	Low	80 Å²	80	89.8 Å²	89.8	49%	0.491	52%	0.519	S	S	.	.			trans	-66.8	142.8	178.5	-42.9	0	0	0	0	108.9	E63 E64 K65	T61-E63 HydrophobicContact CG2-CB 4.44Å; T61-E63 HydrophobicContact CG2-CG 4.49Å; T61-E63 PolarHBondContact O-N 3.34Å; T61-E64 WeakPolarHBondContact CB-OE2 3.44Å; T61-E64 PolarHBondContact N-OE2 3.11Å; T61-E64 WeakPolarHBondContact O-CA 3.33Å; T61-E64 WeakPolarHBondContact O-CB 3.4Å; T61-E64 PolarHBondContact O-N 3.5Å; T61-E64 PolarHBondContact OG1-OE2 3.22Å; T61-K65 PolarHBondContact O-N 3.19Å
62	E	75.9	Confident	61.4	Low	71 Å²	71	85.1 Å²	85.1	33%	0.332	48%	0.48	S	S	.	.	H	α-helix	trans	-56.7	-26.4	178.8	-66.7	-68.8	167.4	0	0	112.5	K15 A66	K15-E62 IonicContact NZ-OE1 3.92Å; K15-E62 PolarHBondContact NZ-OE1 2.91Å; K15-E62 VanDerWaalsContact NZ-OE1 3.07Å; E62-A66 WeakPolarHBondContact O-CB 3.23Å; E62-A66 PolarHBondContact O-N 3.12Å
63	E	77.4	Confident	64.4	Low	118 Å²	118	80.7 Å²	80.7	55%	0.551	44%	0.442	S	S	*	.	H	α-helix	trans	-70.2	-39.3	173.9	-57.2	-166.1	153.7	0	0	112.4	R17 T61 A66 L67	R17-E63 IonicContact CZ-OE1 3.36Å; R17-E63 IonicContact NE-OE1 2.79Å; R17-E63 IonicContact NH2-OE1 3.22Å; R17-E63 PolarHBondContact NH2-OE1 3.17Å; T61-E63 HydrophobicContact CG2-CB 4.44Å; T61-E63 HydrophobicContact CG2-CG 4.49Å; T61-E63 PolarHBondContact O-N 3.34Å; E63-A66 PolarHBondContact O-N 3.3Å; E63-L67 WeakPolarHBondContact O-CB 3.32Å; E63-L67 PolarHBondContact O-N 3.03Å
64	E	79.6	Confident	67.6	Low	92 Å²	92	78.8 Å²	78.8	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-40	174.2	-64.3	169.9	144.4	0	0	110.5	L60 T61 A66 L67 M68	L60-E64 HydrophobicContact CD2-CB 4.5Å; T61-E64 WeakPolarHBondContact CB-OE2 3.44Å; T61-E64 PolarHBondContact N-OE2 3.11Å; T61-E64 WeakPolarHBondContact O-CA 3.33Å; T61-E64 WeakPolarHBondContact O-CB 3.4Å; T61-E64 PolarHBondContact O-N 3.5Å; T61-E64 PolarHBondContact OG1-OE2 3.22Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.46Å; E64-L67 PolarHBondContact O-N 2.92Å; E64-M68 WeakPolarHBondContact O-CB 3.43Å; E64-M68 WeakPolarHBondContact O-CE 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.46Å; E64-M68 PolarHBondContact O-N 3.5Å
65	K	80.9	Confident	70.6	Confident	20 Å²	20	72 Å²	72	9%	0.087	39%	0.386	C	S	.	.	H	α-helix	trans	-61.2	-41.2	172.8	-63.6	-170.9	178.1	-167.1	0	112.1	L60 T61 M68 R69 G227 V228	L60-K65 HydrophobicContact CB-CG 4.15Å; T61-K65 PolarHBondContact O-N 3.19Å; K65-M68 HydrophobicContact CG-CE 4.36Å; K65-R69 WeakPolarHBondContact O-CG 3.22Å; K65-R69 PolarHBondContact O-N 3.26Å; K65-R69 VanDerWaalsContact O-N 3.11Å; K65-G227 PolarHBondContact NZ-O 3.43Å; K65-G227 VanDerWaalsContact NZ-O 3.13Å; K65-V228 HydrophobicContact CG-CG2 4.38Å
66	A	82.4	Confident	73.5	Confident	32 Å²	32	67.7 Å²	67.7	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-43.8	176.9	0	0	0	0	0	112.1	E62 E63 E64 R69 E70	E62-A66 WeakPolarHBondContact O-CB 3.23Å; E62-A66 PolarHBondContact O-N 3.12Å; E63-A66 PolarHBondContact O-N 3.3Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.46Å; A66-R69 VanDerWaalsContact CA-NH2 3.32Å; A66-R69 PolarHBondContact O-N 3.43Å; A66-E70 PolarHBondContact O-N 3.13Å
67	L	83.6	Confident	76.4	Confident	85 Å²	85	62.9 Å²	62.9	45%	0.445	33%	0.331	S	S	.	.	H	α-helix	trans	-65.4	-42.4	179.1	-162.4	161.5	0	0	0	111.5	E63 E64 R69 E70 E71 T213	E63-L67 WeakPolarHBondContact O-CB 3.32Å; E63-L67 PolarHBondContact O-N 3.03Å; E64-L67 PolarHBondContact O-N 2.92Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 2.9Å; L67-E70 PolarHBondContact O-N 3.17Å; L67-E71 PolarHBondContact O-N 3.19Å; L67-T213 HydrophobicContact CD1-CG2 4.49Å; L67-T213 HydrophobicContact CD2-CG2 3.36Å
68	M	80.2	Confident	79	Confident	9 Å²	9	64.3 Å²	64.3	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-37.1	173.7	-74.8	-172.3	-77.1	0	0	112.6	L60 E64 K65 F72 V228	L60-M68 HydrophobicContact CD1-CE 3.98Å; L60-M68 HydrophobicContact CD2-CE 4.08Å; E64-M68 WeakPolarHBondContact O-CB 3.43Å; E64-M68 WeakPolarHBondContact O-CE 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.46Å; E64-M68 PolarHBondContact O-N 3.5Å; K65-M68 HydrophobicContact CG-CE 4.36Å; M68-F72 WeakPolarHBondContact O-CB 3.22Å; M68-F72 PolarHBondContact O-N 3.44Å; M68-V228 HydrophobicContact CB-CG1 4.43Å; M68-V228 HydrophobicContact CE-CG2 3.67Å; M68-V228 HydrophobicContact SD-CG2 4.26Å
69	R	85.3	Confident	81.2	Confident	22 Å²	22	63 Å²	63	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-46.1	174.9	-73.7	-174.7	-64.1	-98.8	-0.2	112	K65 A66 L67 E71 F72 E73 V228 Y229	K65-R69 WeakPolarHBondContact O-CG 3.22Å; K65-R69 PolarHBondContact O-N 3.26Å; K65-R69 VanDerWaalsContact O-N 3.11Å; A66-R69 VanDerWaalsContact CA-NH2 3.32Å; A66-R69 PolarHBondContact O-N 3.43Å; L67-R69 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 2.9Å; R69-E71 VanDerWaalsContact C-N 3.28Å; R69-E71 PolarHBondContact O-N 2.99Å; R69-F72 PolarHBondContact O-N 3.41Å; R69-E73 WeakPolarHBondContact O-CB 3.49Å; R69-E73 VanDerWaalsContact O-CG 3.25Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 2.84Å; R69-V228 HydrophobicContact CG-CG1 3.43Å; R69-V228 VanDerWaalsContact CG-CG1 3.43Å; R69-V228 PolarHBondContact NH1-O 3.25Å; R69-Y229 HydrophobicContact CG-CE1 4.23Å; R69-Y229 HydrophobicContact CG-CE2 4.29Å
70	E	86.4	Confident	82.9	Confident	123 Å²	123	54 Å²	54	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-60.8	-40.1	178.4	-73.7	-178.1	176.5	0	0	111.9	A66 L67 A74	A66-E70 PolarHBondContact O-N 3.13Å; L67-E70 PolarHBondContact O-N 3.17Å; E70-A74 WeakPolarHBondContact O-CB 3.15Å; E70-A74 PolarHBondContact O-N 2.96Å
71	E	86.1	Confident	84.2	Confident	28 Å²	28	51.9 Å²	51.9	13%	0.131	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-46	175.7	-172.1	178.4	168.8	0	0	111.8	L67 R69 E73 A74 G75 C210 T211 R212 T213	L67-E71 PolarHBondContact O-N 3.19Å; R69-E71 VanDerWaalsContact C-N 3.28Å; R69-E71 PolarHBondContact O-N 2.99Å; E71-E73 PolarHBondContact O-N 3.48Å; E71-A74 WeakPolarHBondContact O-CB 3.44Å; E71-A74 PolarHBondContact O-N 3.17Å; E71-G75 PolarHBondContact O-N 3.12Å; E71-C210 HydrophobicContact CG-CB 4.36Å; E71-T211 PolarHBondContact OE1-N 3.5Å; E71-R212 WeakPolarHBondContact OE1-CB 3.34Å; E71-R212 PolarHBondContact OE1-N 3.29Å; E71-T213 PolarHBondContact OE2-N 2.93Å; E71-T213 PolarHBondContact OE2-OG1 3.29Å
72	F	86.6	Confident	84.8	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-44	177.9	-172.2	-110.8	0	0	0	111.7	L10 M68 R69 A74 G75 L76 I205 T208 I220 L223 Y229	L10-F72 HydrophobicContact CD1-CE1 4.27Å; M68-F72 WeakPolarHBondContact O-CB 3.22Å; M68-F72 PolarHBondContact O-N 3.44Å; R69-F72 PolarHBondContact O-N 3.41Å; F72-A74 VanDerWaalsContact C-N 3.33Å; F72-A74 PolarHBondContact O-N 3.09Å; F72-G75 PolarHBondContact O-N 2.92Å; F72-G75 VanDerWaalsContact O-N 3.16Å; F72-L76 HydrophobicContact CD1-CD1 3.89Å; F72-L76 HydrophobicContact CD1-CG 4.33Å; F72-L76 HydrophobicContact CE1-CD1 3.68Å; F72-L76 HydrophobicContact CE1-CD2 4.35Å; F72-L76 HydrophobicContact CE1-CG 4.12Å; F72-L76 HydrophobicContact CZ-CD1 4.43Å; F72-L76 HydrophobicContact CZ-CD2 4.32Å; F72-L76 HydrophobicContact CZ-CG 4.45Å; F72-L76 WeakPolarHBondContact O-CG 3.4Å; F72-L76 PolarHBondContact O-N 3.39Å; F72-I205 HydrophobicContact CE1-CG2 4.43Å; F72-I205 HydrophobicContact CZ-CG2 3.94Å; F72-T208 WeakPolarHBondContact CE2-OG1 3.48Å; F72-T208 WeakPolarHBondContact CZ-OG1 3.48Å; F72-I220 HydrophobicContact CZ-CB 4.15Å; F72-L223 HydrophobicContact CB-CD1 4.05Å; F72-L223 HydrophobicContact CD1-CD1 4.02Å; F72-L223 HydrophobicContact CD2-CD1 3.5Å; F72-L223 VanDerWaalsContact CD2-CD1 3.5Å; F72-L223 HydrophobicContact CE1-CD1 4.34Å; F72-L223 HydrophobicContact CE2-CD1 3.85Å; F72-L223 HydrophobicContact CG-CD1 3.58Å; F72-L223 HydrophobicContact CZ-CD1 4.26Å; F72-Y229 AromaticContact CD1-CE2 3.76Å; F72-Y229 HydrophobicContact CD1-CE2 3.76Å; F72-Y229 HydrophobicContact CE1-CE2 4.18Å
73	E	87.8	Confident	85.5	Confident	9 Å²	9	49.7 Å²	49.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-36.7	176.7	-72.3	176.8	-142.5	0	0	112.2	R69 E71 L76 L77 I83 R85 I100	R69-E73 WeakPolarHBondContact O-CB 3.49Å; R69-E73 VanDerWaalsContact O-CG 3.25Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 2.84Å; E71-E73 PolarHBondContact O-N 3.48Å; E73-L76 PolarHBondContact O-N 2.84Å; E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.41Å; E73-I83 HydrophobicContact CB-CD1 4.03Å; E73-I83 HydrophobicContact CG-CD1 4.31Å; E73-I83 WeakPolarHBondContact O-CD1 3.39Å; E73-R85 IonicContact OE2-CZ 2.87Å; E73-R85 IonicContact OE2-NE 3Å; E73-R85 PolarHBondContact OE2-NE 3.37Å; E73-R85 IonicContact OE2-NH2 3.47Å; E73-R85 PolarHBondContact OE2-NH2 3.36Å; E73-I100 HydrophobicContact CG-CD1 4.45Å; E73-I100 WeakPolarHBondContact OE1-CD1 2.97Å
74	A	87.7	Confident	85.9	Confident	44 Å²	44	48.5 Å²	48.5	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-43.6	171.7	0	0	0	0	0	111.3	E70 E71 F72 L76 L77 E78	E70-A74 WeakPolarHBondContact O-CB 3.15Å; E70-A74 PolarHBondContact O-N 2.96Å; E71-A74 WeakPolarHBondContact O-CB 3.44Å; E71-A74 PolarHBondContact O-N 3.17Å; F72-A74 VanDerWaalsContact C-N 3.33Å; F72-A74 PolarHBondContact O-N 3.09Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.09Å; A74-L77 WeakPolarHBondContact O-CB 3.49Å; A74-L77 PolarHBondContact O-N 2.77Å; A74-E78 WeakPolarHBondContact O-CG 3.44Å; A74-E78 PolarHBondContact O-N 3.43Å
75	G	87.4	Confident	86	Confident	18 Å²	18	50.8 Å²	50.8	19%	0.186	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-38.2	174.5	0	0	0	0	0	113.4	E71 F72 E78 A79	E71-G75 PolarHBondContact O-N 3.12Å; F72-G75 PolarHBondContact O-N 2.92Å; F72-G75 VanDerWaalsContact O-N 3.16Å; G75-E78 PolarHBondContact O-N 3.22Å; G75-A79 WeakPolarHBondContact O-CB 3.34Å; G75-A79 PolarHBondContact O-N 3.2Å
76	L	87.8	Confident	85.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-38.6	174.3	-68.9	174.5	0	0	0	112.2	L10 F72 E73 A74 A79 G80 L81 I83 L102 I205 T208	L10-L76 HydrophobicContact CD1-CD1 4.22Å; F72-L76 HydrophobicContact CD1-CD1 3.89Å; F72-L76 HydrophobicContact CD1-CG 4.33Å; F72-L76 HydrophobicContact CE1-CD1 3.68Å; F72-L76 HydrophobicContact CE1-CD2 4.35Å; F72-L76 HydrophobicContact CE1-CG 4.12Å; F72-L76 HydrophobicContact CZ-CD1 4.43Å; F72-L76 HydrophobicContact CZ-CD2 4.32Å; F72-L76 HydrophobicContact CZ-CG 4.45Å; F72-L76 WeakPolarHBondContact O-CG 3.4Å; F72-L76 PolarHBondContact O-N 3.39Å; E73-L76 PolarHBondContact O-N 2.84Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.09Å; L76-A79 PolarHBondContact O-N 2.98Å; L76-G80 PolarHBondContact O-N 3.47Å; L76-L81 HydrophobicContact CB-CD1 4.42Å; L76-L81 HydrophobicContact CD2-CD1 3.71Å; L76-L81 WeakPolarHBondContact O-CB 3.39Å; L76-L81 PolarHBondContact O-N 2.72Å; L76-I83 HydrophobicContact CB-CD1 3.88Å; L76-I83 HydrophobicContact CD1-CD1 4.27Å; L76-L102 HydrophobicContact CD1-CD2 4.3Å; L76-I205 HydrophobicContact CD2-CG1 3.87Å; L76-T208 HydrophobicContact CD2-CG2 4Å
77	L	89.3	Confident	84.8	Confident	102 Å²	102	57.4 Å²	57.4	53%	0.534	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-39.6	174.2	-71.4	169.6	0	0	0	111.6	E73 A74 A79 G80 I83	E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.41Å; A74-L77 WeakPolarHBondContact O-CB 3.49Å; A74-L77 PolarHBondContact O-N 2.77Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-G80 WeakPolarHBondContact O-CA 3.31Å; L77-G80 PolarHBondContact O-N 3.31Å; L77-I83 HydrophobicContact CD2-CB 4.46Å; L77-I83 HydrophobicContact CD2-CD1 4.14Å; L77-I83 HydrophobicContact CD2-CG1 3.99Å; L77-I83 HydrophobicContact CG-CD1 3.86Å; L77-I83 HydrophobicContact CG-CG1 4.28Å
78	E	88.2	Confident	83.4	Confident	169 Å²	169	60.3 Å²	60.3	79%	0.79	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-36.7	173.9	-73.8	178.2	-172.8	0	0	112.2	A74 G75 G80	A74-E78 WeakPolarHBondContact O-CG 3.44Å; A74-E78 PolarHBondContact O-N 3.43Å; G75-E78 PolarHBondContact O-N 3.22Å; E78-G80 PolarHBondContact O-N 3.5Å
79	A	84.7	Confident	81.9	Confident	36 Å²	36	65.7 Å²	65.7	30%	0.298	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.2	170.9	0	0	0	0	0	113.1	G75 L76 L77 I204 T208	G75-A79 WeakPolarHBondContact O-CB 3.34Å; G75-A79 PolarHBondContact O-N 3.2Å; L76-A79 PolarHBondContact O-N 2.98Å; L77-A79 VanDerWaalsContact C-N 3.33Å; A79-I204 HydrophobicContact CB-CG2 3.88Å; A79-T208 HydrophobicContact CB-CG2 4.2Å
80	G	85.3	Confident	80.2	Confident	26 Å²	26	65.5 Å²	65.5	27%	0.268	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	12.2	175	0	0	0	0	0	114.9	L76 L77 E78 P105	L76-G80 PolarHBondContact O-N 3.47Å; L77-G80 WeakPolarHBondContact O-CA 3.31Å; L77-G80 PolarHBondContact O-N 3.31Å; E78-G80 PolarHBondContact O-N 3.5Å; G80-P105 WeakPolarHBondContact O-CD 3.37Å; G80-P105 WeakPolarHBondContact O-CG 3.09Å
81	L	89.1	Confident	78.4	Confident	3 Å²	3	60 Å²	60	2%	0.016	31%	0.309	C	S	.	.			trans	-75.3	150.2	172.1	-68.6	170.7	0	0	0	110.8	L76 I104 V201 I204	L76-L81 HydrophobicContact CB-CD1 4.42Å; L76-L81 HydrophobicContact CD2-CD1 3.71Å; L76-L81 WeakPolarHBondContact O-CB 3.39Å; L76-L81 PolarHBondContact O-N 2.72Å; L81-I104 HydrophobicContact CD2-CB 3.98Å; L81-I104 HydrophobicContact CD2-CD1 4.47Å; L81-I104 HydrophobicContact CD2-CG1 4.08Å; L81-V201 HydrophobicContact CD2-CG2 4.31Å; L81-I204 HydrophobicContact CD1-CB 4.29Å; L81-I204 HydrophobicContact CD1-CG2 3.63Å; L81-I204 HydrophobicContact CD2-CD1 4.11Å; L81-I204 HydrophobicContact CG-CD1 4.47Å; L81-I204 HydrophobicContact CG-CG2 4.22Å
82	Q	89.8	Confident	76.4	Confident	66 Å²	66	63.2 Å²	63.2	31%	0.308	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.7	173.9	-68.2	179.3	1.6	0	0	109.9	R4 H103 P105	R4-Q82 VanDerWaalsContact CZ-OE1 3.28Å; Q82-H103 HydrophobicContact CB-CB 4.3Å; Q82-H103 PolarHBondContact N-O 3.43Å; Q82-H103 PolarHBondContact O-N 2.92Å; Q82-H103 PolarHBondContact OE1-CD2 3.16Å; Q82-P105 HydrophobicContact CG-CG 3.91Å
83	I	89.3	Confident	74.6	Confident	39 Å²	39	69.2 Å²	69.2	20%	0.2	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.4	-175	-50.7	-175.7	0	0	0	109.2	E73 L76 L77 I100 L102	E73-I83 HydrophobicContact CB-CD1 4.03Å; E73-I83 HydrophobicContact CG-CD1 4.31Å; E73-I83 WeakPolarHBondContact O-CD1 3.39Å; L76-I83 HydrophobicContact CB-CD1 3.88Å; L76-I83 HydrophobicContact CD1-CD1 4.27Å; L77-I83 HydrophobicContact CD2-CB 4.46Å; L77-I83 HydrophobicContact CD2-CD1 4.14Å; L77-I83 HydrophobicContact CD2-CG1 3.99Å; L77-I83 HydrophobicContact CG-CD1 3.86Å; L77-I83 HydrophobicContact CG-CG1 4.28Å; I83-I100 HydrophobicContact CG2-CG2 3.28Å; I83-L102 HydrophobicContact CB-CD2 4.39Å; I83-L102 HydrophobicContact CD1-CD2 4.38Å; I83-L102 HydrophobicContact CG1-CD2 3.8Å; I83-L102 HydrophobicContact CG2-CD2 4.24Å
84	E	86.6	Confident	73	Confident	93 Å²	93	71.6 Å²	71.6	44%	0.435	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.6	170.7	-164.2	-174	155	0	0	109.6	R101	E84-R101 HydrophobicContact CB-CB 4.3Å; E84-R101 PolarHBondContact N-O 3.25Å; E84-R101 PolarHBondContact O-N 3.02Å; E84-R101 IonicContact OE1-CZ 3.27Å; E84-R101 IonicContact OE1-NH1 2.81Å; E84-R101 PolarHBondContact OE1-NH1 3.41Å; E84-R101 IonicContact OE1-NH2 3.61Å; E84-R101 PolarHBondContact OE1-NH2 2.94Å; E84-R101 IonicContact OE2-CZ 2.74Å; E84-R101 IonicContact OE2-NH1 2.68Å; E84-R101 PolarHBondContact OE2-NH1 3.35Å
85	R	81.2	Confident	71.6	Confident	139 Å²	139	76.4 Å²	76.4	53%	0.525	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.1	176.3	-62.2	-177.3	-175.5	169.4	2.5	110.5	E73	E73-R85 IonicContact OE2-CZ 2.87Å; E73-R85 IonicContact OE2-NE 3Å; E73-R85 PolarHBondContact OE2-NE 3.37Å; E73-R85 IonicContact OE2-NH2 3.47Å; E73-R85 PolarHBondContact OE2-NH2 3.36Å
86	D	72.5	Confident	70.6	Confident	34 Å²	34	76.2 Å²	76.2	18%	0.182	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.5	147.6	167.8	-75.9	-11.5	0	0	0	111.5	F99 R101	D86-F99 PolarHBondContact N-O 3.44Å; D86-R101 IonicContact OD1-CZ 2.68Å; D86-R101 IonicContact OD1-NE 2.69Å; D86-R101 PolarHBondContact OD1-NE 3.28Å; D86-R101 IonicContact OD1-NH2 2.67Å; D86-R101 PolarHBondContact OD1-NH2 2.74Å
87	K	65.4	Low	70	Confident	157 Å²	157	77.8 Å²	77.8	68%	0.683	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-65.3	139.5	177.4	-64	-175.5	178.2	-174.5	0	109.9	D89 S90 C91	K87-D89 PolarHBondContact O-N 3.19Å; K87-D89 VanDerWaalsContact O-N 3.14Å; K87-S90 WeakPolarHBondContact O-CA 3.43Å; K87-S90 WeakPolarHBondContact O-CB 3.26Å; K87-S90 PolarHBondContact O-N 3.24Å; K87-C91 PolarHBondContact O-N 3.39Å
88	E	54.5	Low	69.6	Low	146 Å²	146	73.3 Å²	73.3	68%	0.682	37%	0.368	S	S	*	.	H	α-helix	trans	-52.9	-37.3	-176.2	-67.5	-177.6	165.7	0	0	113.2	S90 C91 L92	E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.99Å; E88-C91 WeakPolarHBondContact O-CB 3.5Å; E88-C91 PolarHBondContact O-N 3.24Å; E88-C91 VanDerWaalsContact O-N 3.11Å; E88-L92 PolarHBondContact O-N 3.3Å
89	D	48.1	Very low	69.5	Low	123 Å²	123	65.5 Å²	65.5	66%	0.658	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-29.2	177	-57.8	-34.6	0	0	0	113.6	K87	K87-D89 PolarHBondContact O-N 3.19Å; K87-D89 VanDerWaalsContact O-N 3.14Å
90	S	50.6	Low	69.6	Low	18 Å²	18	63.8 Å²	63.8	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-78.3	-25.1	176.1	-160.2	0	0	0	0	111.7	K87 E88 R645	K87-S90 WeakPolarHBondContact O-CA 3.43Å; K87-S90 WeakPolarHBondContact O-CB 3.26Å; K87-S90 PolarHBondContact O-N 3.24Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.99Å; S90-R645 PolarHBondContact OG-NH1 3.32Å
91	C	47.6	Very low	69.8	Low	7 Å²	7	64.4 Å²	64.4	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-77.8	-34.5	179.5	-177.4	0	0	0	0	112.6	K87 E88 K93 L94 I97 S98	K87-C91 PolarHBondContact O-N 3.39Å; E88-C91 WeakPolarHBondContact O-CB 3.5Å; E88-C91 PolarHBondContact O-N 3.24Å; E88-C91 VanDerWaalsContact O-N 3.11Å; C91-K93 VanDerWaalsContact C-N 3.26Å; C91-K93 PolarHBondContact O-N 3.47Å; C91-L94 PolarHBondContact O-N 3.26Å; C91-I97 PolarHBondContact SG-O 3.34Å; C91-I97 VanDerWaalsContact SG-O 3.38Å; C91-S98 PolarHBondContact SG-OG 2.96Å
92	L	44.2	Very low	69.9	Low	96 Å²	96	64.3 Å²	64.3	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-31.6	174.8	-85.3	150.8	0	0	0	112.4	K16 E88 L94	K16-L92 HydrophobicContact CD-CD2 4.3Å; E88-L92 PolarHBondContact O-N 3.3Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.44Å
93	K	50.2	Low	69.9	Low	129 Å²	129	62.8 Å²	62.8	56%	0.561	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.8	179.5	-66.2	-175.5	175.4	-161.7	0	114.7	C91 E642	C91-K93 VanDerWaalsContact C-N 3.26Å; C91-K93 PolarHBondContact O-N 3.47Å; K93-E642 WeakPolarHBondContact CE-OE1 3.39Å; K93-E642 IonicContact NZ-OE1 3.51Å
94	L	52.9	Low	70	Confident	59 Å²	59	61 Å²	61	31%	0.309	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	47.4	-172.8	-100.4	144	0	0	0	112.2	C91 L92 G96 I97 F99	C91-L94 PolarHBondContact O-N 3.26Å; L92-L94 VanDerWaalsContact C-N 3.34Å; L92-L94 PolarHBondContact O-N 3.44Å; L94-G96 PolarHBondContact O-N 3.36Å; L94-I97 PolarHBondContact O-N 3.38Å; L94-F99 HydrophobicContact CD2-CE2 4.42Å
95	N	58.4	Low	70.2	Confident	145 Å²	145	57.5 Å²	57.5	78%	0.775	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	22.8	179.2	-68.6	-14.2	0	0	0	114.7
96	G	66.3	Low	70.4	Confident	14 Å²	14	54.5 Å²	54.5	14%	0.144	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	32.5	-175.2	0	0	0	0	0	113.9	K13 Y14 L94	K13-G96 CarbonylContact C-O 3.46Å; K13-G96 WeakPolarHBondContact CA-O 3.29Å; K13-G96 WeakPolarHBondContact CG-O 3.31Å; Y14-G96 PolarHBondContact N-O 3Å; L94-G96 PolarHBondContact O-N 3.36Å
97	I	75.9	Confident	71.1	Confident	33 Å²	33	56.4 Å²	56.4	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.8	172.9	-58.9	178.7	0	0	0	109.3	C11 C91 L94 F99 F654	C11-I97 WeakPolarHBondContact SG-CG2 3.29Å; C91-I97 PolarHBondContact SG-O 3.34Å; C91-I97 VanDerWaalsContact SG-O 3.38Å; L94-I97 PolarHBondContact O-N 3.38Å; I97-F99 HydrophobicContact CG2-CE1 4.19Å; I97-F99 HydrophobicContact CG2-CE2 4.31Å; I97-F99 HydrophobicContact CG2-CZ 3.94Å; I97-F654 HydrophobicContact CD1-CE1 3.59Å; I97-F654 HydrophobicContact CD1-CZ 4.02Å
98	S	80.9	Confident	72.3	Confident	8 Å²	8	50 Å²	50	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.7	174.8	-61.6	0	0	0	0	110.8	C11 Y12 C91	C11-S98 WeakPolarHBondContact CA-O 3.43Å; Y12-S98 VanDerWaalsContact CE2-CB 3.49Å; Y12-S98 WeakPolarHBondContact CE2-OG 3.4Å; Y12-S98 PolarHBondContact N-O 3.09Å; Y12-S98 VanDerWaalsContact N-O 3.09Å; Y12-S98 PolarHBondContact O-N 3.42Å; Y12-S98 WeakPolarHBondContact OH-CB 3.27Å; Y12-S98 PolarHBondContact OH-OG 3.17Å; C91-S98 PolarHBondContact SG-OG 2.96Å
99	F	84.9	Confident	73.9	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.3	172.2	-59.1	-74.9	0	0	0	111.2	I9 C11 D86 L94 I97 F650 D651 F654	I9-F99 HydrophobicContact CG2-CB 4.43Å; I9-F99 HydrophobicContact CG2-CD1 3.93Å; C11-F99 HydrophobicContact CB-CD1 4.12Å; C11-F99 HydrophobicContact CB-CE1 4.2Å; D86-F99 PolarHBondContact N-O 3.44Å; L94-F99 HydrophobicContact CD2-CE2 4.42Å; I97-F99 HydrophobicContact CG2-CE1 4.19Å; I97-F99 HydrophobicContact CG2-CE2 4.31Å; I97-F99 HydrophobicContact CG2-CZ 3.94Å; F99-F650 AromaticContact CD2-CD2 3.81Å; F99-F650 HydrophobicContact CD2-CD2 3.81Å; F99-F650 AromaticContact CD2-CE2 3.86Å; F99-F650 HydrophobicContact CD2-CE2 3.86Å; F99-F650 HydrophobicContact CE2-CD2 4.01Å; F99-F650 HydrophobicContact CE2-CE2 4.23Å; F99-F650 HydrophobicContact CG-CD2 4.12Å; F99-F650 HydrophobicContact CG-CE2 4.44Å; F99-F650 HydrophobicContact CZ-CD2 4.48Å; F99-D651 VanDerWaalsContact CE2-OD1 3.31Å; F99-D651 WeakPolarHBondContact CE2-OD1 3.29Å; F99-F654 HydrophobicContact CE1-CB 4.05Å; F99-F654 HydrophobicContact CE1-CD2 4.15Å; F99-F654 AromaticContact CE1-CG 3.98Å; F99-F654 HydrophobicContact CE1-CG 3.98Å; F99-F654 HydrophobicContact CZ-CB 4.17Å; F99-F654 HydrophobicContact CZ-CD1 4.31Å; F99-F654 HydrophobicContact CZ-CG 4.14Å
100	I	88.4	Confident	75.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	171.5	-54.4	178.8	0	0	0	107.5	I9 L10 Y12 E73 I83 L102 Y229	I9-I100 WeakPolarHBondContact CA-O 3.19Å; L10-I100 HydrophobicContact CB-CB 4.12Å; L10-I100 PolarHBondContact N-O 3.25Å; L10-I100 PolarHBondContact O-N 2.93Å; Y12-I100 HydrophobicContact CD1-CD1 4.01Å; Y12-I100 HydrophobicContact CD1-CG1 4.19Å; Y12-I100 HydrophobicContact CE1-CD1 3.71Å; Y12-I100 HydrophobicContact CE1-CG1 3.73Å; E73-I100 HydrophobicContact CG-CD1 4.45Å; E73-I100 WeakPolarHBondContact OE1-CD1 2.97Å; I83-I100 HydrophobicContact CG2-CG2 3.28Å; I100-L102 HydrophobicContact CG2-CD2 4.25Å; I100-Y229 HydrophobicContact CD1-CE1 3.98Å
101	R	88.9	Confident	77.6	Confident	38 Å²	38	43 Å²	43	14%	0.143	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	-179.2	-68.1	169.6	-83.4	143.8	0.1	109.3	V6 E84 D86	V6-R101 HydrophobicContact CG1-CB 4.02Å; V6-R101 HydrophobicContact CG1-CG 4.12Å; V6-R101 HydrophobicContact CG2-CB 4.23Å; V6-R101 HydrophobicContact CG2-CG 4.3Å; E84-R101 HydrophobicContact CB-CB 4.3Å; E84-R101 PolarHBondContact N-O 3.25Å; E84-R101 PolarHBondContact O-N 3.02Å; E84-R101 IonicContact OE1-CZ 3.27Å; E84-R101 IonicContact OE1-NH1 2.81Å; E84-R101 PolarHBondContact OE1-NH1 3.41Å; E84-R101 IonicContact OE1-NH2 3.61Å; E84-R101 PolarHBondContact OE1-NH2 2.94Å; E84-R101 IonicContact OE2-CZ 2.74Å; E84-R101 IonicContact OE2-NH1 2.68Å; E84-R101 PolarHBondContact OE2-NH1 3.35Å; D86-R101 IonicContact OD1-CZ 2.68Å; D86-R101 IonicContact OD1-NE 2.69Å; D86-R101 PolarHBondContact OD1-NE 3.28Å; D86-R101 IonicContact OD1-NH2 2.67Å; D86-R101 PolarHBondContact OD1-NH2 2.74Å
102	L	90.7	Very high	79.4	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.7	179.2	-58.2	178.3	0	0	0	110.4	D7 Y8 L10 L76 I83 I100 V201 I205	D7-L102 PolarHBondContact N-O 3.36Å; Y8-L102 PolarHBondContact N-O 3.06Å; Y8-L102 PolarHBondContact O-N 2.77Å; L10-L102 HydrophobicContact CD1-CD1 4.05Å; L10-L102 HydrophobicContact CD2-CD1 4.39Å; L10-L102 HydrophobicContact CG-CD1 3.96Å; L76-L102 HydrophobicContact CD1-CD2 4.3Å; I83-L102 HydrophobicContact CB-CD2 4.39Å; I83-L102 HydrophobicContact CD1-CD2 4.38Å; I83-L102 HydrophobicContact CG1-CD2 3.8Å; I83-L102 HydrophobicContact CG2-CD2 4.24Å; I100-L102 HydrophobicContact CG2-CD2 4.25Å; L102-V201 HydrophobicContact CD1-CG1 4.41Å; L102-I205 HydrophobicContact CD1-CD1 3.43Å; L102-I205 VanDerWaalsContact CD1-CD1 3.43Å; L102-I205 HydrophobicContact CD1-CG1 4.18Å
103	H	90.6	Very high	81.4	Confident	34 Å²	34	39.1 Å²	39.1	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.7	175	175	60.3	0	0	0	110.4	K5 D7 Q82 P105	K5-H103 PolarHBondContact O-ND1 2.84Å; D7-H103 IonicContact OD2-CE1 3.4Å; D7-H103 IonicContact OD2-CG 2.78Å; D7-H103 IonicContact OD2-ND1 3.66Å; D7-H103 PolarHBondContact OD2-ND1 3.32Å; D7-H103 VanDerWaalsContact OD2-ND1 3.17Å; Q82-H103 HydrophobicContact CB-CB 4.3Å; Q82-H103 PolarHBondContact N-O 3.43Å; Q82-H103 PolarHBondContact O-N 2.92Å; Q82-H103 PolarHBondContact OE1-CD2 3.16Å; H103-P105 WeakPolarHBondContact O-CD 3.28Å
104	I	90.1	Very high	83	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.18	C	C	.	.			trans	-96.3	117.8	174.6	-168.6	167.9	0	0	0	111.5	D7 L81 I108 L109 R197 I200 V201 I204	D7-I104 WeakPolarHBondContact OD2-CG2 3.26Å; D7-I104 PolarHBondContact OD2-N 2.83Å; L81-I104 HydrophobicContact CD2-CB 3.98Å; L81-I104 HydrophobicContact CD2-CD1 4.47Å; L81-I104 HydrophobicContact CD2-CG1 4.08Å; I104-I108 HydrophobicContact CD1-CB 4.46Å; I104-I108 HydrophobicContact CD1-CG2 4.1Å; I104-I108 HydrophobicContact CG1-CB 4.13Å; I104-I108 HydrophobicContact CG1-CG2 4.21Å; I104-L109 HydrophobicContact CD1-CB 4.12Å; I104-L109 HydrophobicContact CD1-CD1 3.96Å; I104-L109 HydrophobicContact CG1-CB 4.15Å; I104-L109 HydrophobicContact CG2-CD1 4Å; I104-R197 PolarHBondContact O-NH2 3.38Å; I104-I200 HydrophobicContact CD1-CB 4.42Å; I104-I200 HydrophobicContact CD1-CG2 3.51Å; I104-V201 HydrophobicContact CB-CG2 3.82Å; I104-V201 HydrophobicContact CD1-CG2 4.24Å; I104-V201 HydrophobicContact CG2-CG2 3.97Å; I104-I204 HydrophobicContact CD1-CD1 3.89Å
105	P	90.6	Very high	84.4	Confident	20 Å²	20	37.2 Å²	37.2	13%	0.13	19%	0.187	C	C	.	.			trans	-66.9	154.8	172.2	-19.8	33.6	0	0	0	112.2	G80 Q82 H103 S107 I108 L109	G80-P105 WeakPolarHBondContact O-CD 3.37Å; G80-P105 WeakPolarHBondContact O-CG 3.09Å; Q82-P105 HydrophobicContact CG-CG 3.91Å; H103-P105 WeakPolarHBondContact O-CD 3.28Å; P105-S107 VanDerWaalsContact C-N 3.28Å; P105-S107 PolarHBondContact O-N 3.12Å; P105-I108 PolarHBondContact O-N 2.85Å; P105-L109 WeakPolarHBondContact O-CB 3.24Å; P105-L109 PolarHBondContact O-N 3.3Å
106	W	86.6	Confident	85.2	Confident	76 Å²	76	30.6 Å²	30.6	29%	0.288	15%	0.151	S	C	.	.	H	α-helix	trans	-57.7	-35.6	179.7	178	-103	0	0	0	114.2	I108 L109 S110 T188 L191 F192	W106-I108 PolarHBondContact O-N 2.79Å; W106-L109 HydrophobicContact CE3-CD2 4.02Å; W106-L109 HydrophobicContact CZ3-CD2 4.2Å; W106-L109 PolarHBondContact O-N 2.8Å; W106-S110 WeakPolarHBondContact O-CB 3.49Å; W106-S110 PolarHBondContact O-N 2.92Å; W106-S110 PolarHBondContact O-OG 3.43Å; W106-T188 HydrophobicContact CD2-CG2 4.28Å; W106-T188 HydrophobicContact CH2-CG2 4.28Å; W106-T188 HydrophobicContact CZ2-CG2 4.02Å; W106-T188 WeakPolarHBondContact CZ3-O 3.31Å; W106-L191 HydrophobicContact CH2-CB 4.28Å; W106-L191 HydrophobicContact CH2-CD2 3.64Å; W106-L191 HydrophobicContact CZ3-CB 4.42Å; W106-L191 HydrophobicContact CZ3-CD2 4.45Å; W106-F192 HydrophobicContact CH2-CD2 4.25Å; W106-F192 AromaticContact CH2-CE2 3.8Å; W106-F192 HydrophobicContact CH2-CE2 3.8Å; W106-F192 AromaticContact CZ3-CD2 3.76Å; W106-F192 HydrophobicContact CZ3-CD2 3.76Å; W106-F192 AromaticContact CZ3-CE2 3.72Å; W106-F192 HydrophobicContact CZ3-CE2 3.72Å
107	S	87.7	Confident	85.9	Confident	75 Å²	75	34.4 Å²	34.4	52%	0.524	16%	0.164	S	C	.	.	H	α-helix	trans	-62.9	-41.2	179.8	49.2	0	0	0	0	112.6	P105 S110 R111	P105-S107 VanDerWaalsContact C-N 3.28Å; P105-S107 PolarHBondContact O-N 3.12Å; S107-S110 PolarHBondContact O-OG 3.48Å; S107-S110 VanDerWaalsContact O-OG 3.12Å; S107-R111 PolarHBondContact O-N 3.24Å
108	I	89.4	Confident	86.1	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.118	16%	0.16	C	C	.	.	H	α-helix	trans	-76.7	-42.7	177	-55.1	-55.4	0	0	0	110	I104 P105 W106 S110 R111 E112 I204	I104-I108 HydrophobicContact CD1-CB 4.46Å; I104-I108 HydrophobicContact CD1-CG2 4.1Å; I104-I108 HydrophobicContact CG1-CB 4.13Å; I104-I108 HydrophobicContact CG1-CG2 4.21Å; P105-I108 PolarHBondContact O-N 2.85Å; W106-I108 PolarHBondContact O-N 2.79Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 3.33Å; I108-R111 PolarHBondContact O-N 3.09Å; I108-R111 VanDerWaalsContact O-N 3.16Å; I108-E112 HydrophobicContact CG2-CG 4.18Å; I108-E112 PolarHBondContact O-N 3.49Å; I108-I204 HydrophobicContact CG2-CD1 4.01Å
109	L	88.8	Confident	86.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-44.8	178.5	-172.9	70.2	0	0	0	112.4	I104 P105 W106 A113 F192 R197 I200	I104-L109 HydrophobicContact CD1-CB 4.12Å; I104-L109 HydrophobicContact CD1-CD1 3.96Å; I104-L109 HydrophobicContact CG1-CB 4.15Å; I104-L109 HydrophobicContact CG2-CD1 4Å; P105-L109 WeakPolarHBondContact O-CB 3.24Å; P105-L109 PolarHBondContact O-N 3.3Å; W106-L109 HydrophobicContact CE3-CD2 4.02Å; W106-L109 HydrophobicContact CZ3-CD2 4.2Å; W106-L109 PolarHBondContact O-N 2.8Å; L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.01Å; L109-F192 HydrophobicContact CD2-CB 4.33Å; L109-F192 HydrophobicContact CD2-CD2 3.44Å; L109-F192 VanDerWaalsContact CD2-CD2 3.44Å; L109-F192 HydrophobicContact CD2-CE2 4.09Å; L109-F192 HydrophobicContact CD2-CG 4.2Å; L109-F192 HydrophobicContact CG-CD2 3.79Å; L109-F192 HydrophobicContact CG-CE2 4.09Å; L109-F192 HydrophobicContact CG-CG 4.47Å; L109-R197 HydrophobicContact CD1-CG 4.14Å; L109-R197 HydrophobicContact CD2-CG 4.35Å; L109-I200 HydrophobicContact CD1-CD1 3.52Å
110	S	88.1	Confident	86	Confident	6 Å²	6	36 Å²	36	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-36.6	178.2	52.9	0	0	0	0	113.1	W106 S107 I108 E114 F175	W106-S110 WeakPolarHBondContact O-CB 3.49Å; W106-S110 PolarHBondContact O-N 2.92Å; W106-S110 PolarHBondContact O-OG 3.43Å; S107-S110 PolarHBondContact O-OG 3.48Å; S107-S110 VanDerWaalsContact O-OG 3.12Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 3.33Å; S110-E114 PolarHBondContact O-N 3.28Å; S110-F175 WeakPolarHBondContact O-CE1 3.44Å
111	R	87.9	Confident	85.7	Confident	133 Å²	133	37.7 Å²	37.7	50%	0.502	18%	0.184	S	C	.	.	H	α-helix	trans	-64.5	-50.2	174.8	178.8	-172.6	177.8	-171.8	-2.2	111.5	S107 I108 A113 E114 L115	S107-R111 PolarHBondContact O-N 3.24Å; I108-R111 PolarHBondContact O-N 3.09Å; I108-R111 VanDerWaalsContact O-N 3.16Å; R111-A113 VanDerWaalsContact C-N 3.35Å; R111-E114 PolarHBondContact O-N 3.2Å; R111-L115 HydrophobicContact CG-CD1 4.37Å; R111-L115 WeakPolarHBondContact O-CG 3.39Å; R111-L115 PolarHBondContact O-N 2.9Å
112	E	85.9	Confident	85.3	Confident	22 Å²	22	36 Å²	36	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-36.4	-179.7	-67.3	-53.7	134.7	0	0	111.7	I108 E114 L115 Q116 I200 I204	I108-E112 HydrophobicContact CG2-CG 4.18Å; I108-E112 PolarHBondContact O-N 3.49Å; E112-E114 VanDerWaalsContact C-N 3.25Å; E112-E114 PolarHBondContact O-N 3.32Å; E112-L115 PolarHBondContact O-N 3.2Å; E112-Q116 WeakPolarHBondContact O-CB 3.48Å; E112-Q116 WeakPolarHBondContact O-CG 3.4Å; E112-Q116 PolarHBondContact O-N 3.18Å; E112-I200 HydrophobicContact CB-CG2 3.5Å; E112-I200 VanDerWaalsContact CB-CG2 3.5Å; E112-I200 HydrophobicContact CG-CG2 3.89Å; E112-I204 HydrophobicContact CG-CD1 4.14Å; E112-I204 HydrophobicContact CG-CG1 4.32Å
113	A	85.3	Confident	84.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-34.2	174.4	0	0	0	0	0	113	L109 R111 K117 I118 F175 F192	L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.01Å; R111-A113 VanDerWaalsContact C-N 3.35Å; A113-K117 PolarHBondContact O-N 3.38Å; A113-I118 HydrophobicContact CB-CB 4.38Å; A113-I118 HydrophobicContact CB-CD1 3.9Å; A113-I118 HydrophobicContact CB-CG1 4.35Å; A113-I118 PolarHBondContact O-N 2.92Å; A113-F175 HydrophobicContact CB-CD1 3.95Å; A113-F192 HydrophobicContact CB-CE1 3.78Å; A113-F192 HydrophobicContact CB-CE2 4.4Å; A113-F192 HydrophobicContact CB-CZ 3.53Å
114	E	84.8	Confident	84.2	Confident	60 Å²	60	42.7 Å²	42.7	28%	0.28	21%	0.206	S	C	.	.	H	α-helix	trans	-72.7	-43.5	174	177.2	169.5	-129.1	0	0	112	S110 R111 E112 Q116 K117 F175 R177	S110-E114 PolarHBondContact O-N 3.28Å; R111-E114 PolarHBondContact O-N 3.2Å; E112-E114 VanDerWaalsContact C-N 3.25Å; E112-E114 PolarHBondContact O-N 3.32Å; E114-Q116 VanDerWaalsContact C-N 3.29Å; E114-Q116 PolarHBondContact O-N 3.05Å; E114-K117 PolarHBondContact O-N 2.94Å; E114-F175 HydrophobicContact CB-CD1 4.45Å; E114-R177 PolarHBondContact OE1-N 3.35Å; E114-R177 WeakPolarHBondContact OE2-CB 3.27Å
115	L	81.8	Confident	83.4	Confident	87 Å²	87	47.4 Å²	47.4	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-40.3	176.3	-72	173.4	0	0	0	112.3	R111 E112 K117	R111-L115 HydrophobicContact CG-CD1 4.37Å; R111-L115 WeakPolarHBondContact O-CG 3.39Å; R111-L115 PolarHBondContact O-N 2.9Å; E112-L115 PolarHBondContact O-N 3.2Å; L115-K117 VanDerWaalsContact C-N 3.29Å
116	Q	75.3	Confident	82.3	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.028	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	7.3	175.7	-62.1	-179.1	22.5	0	0	113.8	E112 E114 I118 E203	E112-Q116 WeakPolarHBondContact O-CB 3.48Å; E112-Q116 WeakPolarHBondContact O-CG 3.4Å; E112-Q116 PolarHBondContact O-N 3.18Å; E114-Q116 VanDerWaalsContact C-N 3.29Å; E114-Q116 PolarHBondContact O-N 3.05Å; Q116-I118 HydrophobicContact CB-CD1 4.36Å; Q116-I118 HydrophobicContact CB-CG1 3.89Å; Q116-I118 PolarHBondContact O-N 3.07Å; Q116-E203 PolarHBondContact NE2-OE1 3.37Å; Q116-E203 PolarHBondContact NE2-OE2 3.16Å
117	K	80.7	Confident	81.3	Confident	94 Å²	94	50.7 Å²	50.7	41%	0.409	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	38.4	178.7	-63.4	-178.2	178	176.7	0	114.1	A113 E114 L115 K119 S174	A113-K117 PolarHBondContact O-N 3.38Å; E114-K117 PolarHBondContact O-N 2.94Å; L115-K117 VanDerWaalsContact C-N 3.29Å; K117-K119 PolarHBondContact O-N 3.43Å; K117-S174 PolarHBondContact O-OG 2.75Å
118	I	81.6	Confident	80	Confident	16 Å²	16	49.6 Å²	49.6	8%	0.082	24%	0.235	C	C	.	.			trans	-60.6	127.8	-174.9	-61	-177.9	0	0	0	109	A113 Q116 F175 F192 T196 I200	A113-I118 HydrophobicContact CB-CB 4.38Å; A113-I118 HydrophobicContact CB-CD1 3.9Å; A113-I118 HydrophobicContact CB-CG1 4.35Å; A113-I118 PolarHBondContact O-N 2.92Å; Q116-I118 HydrophobicContact CB-CD1 4.36Å; Q116-I118 HydrophobicContact CB-CG1 3.89Å; Q116-I118 PolarHBondContact O-N 3.07Å; I118-F175 VanDerWaalsContact O-CB 3.24Å; I118-F175 WeakPolarHBondContact O-CB 3.34Å; I118-F175 PolarHBondContact O-N 3.17Å; I118-F192 HydrophobicContact CG2-CE1 4.27Å; I118-T196 HydrophobicContact CD1-CG2 3.67Å; I118-T196 HydrophobicContact CG2-CG2 4.46Å; I118-I200 HydrophobicContact CD1-CD1 3.83Å; I118-I200 HydrophobicContact CD1-CG1 4.32Å
119	K	80.4	Confident	78.3	Confident	51 Å²	51	58.2 Å²	58.2	22%	0.222	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.5	-179.1	-73.7	165.3	175.9	173.7	0	110.9	K117 K172 H173 D393 T395 S396	K117-K119 PolarHBondContact O-N 3.43Å; K119-K172 HydrophobicContact CB-CB 4.21Å; K119-H173 CarbonylContact C-O 3.56Å; K119-H173 VanDerWaalsContact CA-O 3.31Å; K119-H173 WeakPolarHBondContact CA-O 3.48Å; K119-D393 HydrophobicContact CB-CB 4.36Å; K119-D393 HydrophobicContact CD-CB 3.65Å; K119-D393 PolarHBondContact NZ-O 2.97Å; K119-T395 PolarHBondContact NZ-OG1 3.25Å; K119-T395 VanDerWaalsContact NZ-OG1 3.09Å; K119-S396 WeakPolarHBondContact CE-OG 3.5Å; K119-S396 PolarHBondContact NZ-OG 3.18Å
120	V	82.3	Confident	76.7	Confident	13 Å²	13	64 Å²	64	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.3	-179.1	-179.4	0	0	0	0	109.7	V122 K172 H173 F175 Y183 L191 F192	V120-V122 PolarHBondContact O-N 2.73Å; V120-K172 CarbonylContact O-C 3.58Å; V120-K172 VanDerWaalsContact O-CA 3.26Å; V120-K172 WeakPolarHBondContact O-CA 3.34Å; V120-H173 PolarHBondContact N-O 3.27Å; V120-H173 PolarHBondContact O-N 3.41Å; V120-F175 HydrophobicContact CB-CD2 4.38Å; V120-F175 HydrophobicContact CG2-CB 4.03Å; V120-F175 HydrophobicContact CG2-CD2 3.92Å; V120-F175 HydrophobicContact CG2-CG 4.33Å; V120-Y183 HydrophobicContact CB-CD1 3.82Å; V120-Y183 HydrophobicContact CB-CE1 4.06Å; V120-Y183 HydrophobicContact CG1-CD1 3.89Å; V120-Y183 HydrophobicContact CG1-CG 4.3Å; V120-L191 HydrophobicContact CG1-CD1 3.81Å; V120-L191 HydrophobicContact CG1-CD2 4.28Å; V120-L191 HydrophobicContact CG1-CG 4.16Å; V120-F192 HydrophobicContact CG2-CE1 3.96Å; V120-F192 HydrophobicContact CG2-CZ 4.48Å
121	A	81.6	Confident	75.2	Confident	35 Å²	35	70.3 Å²	70.3	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.4	179.6	0	0	0	0	0	112.7	T170 L171 Y183 D184	A121-T170 HydrophobicContact CB-CG2 3.78Å; A121-L171 WeakPolarHBondContact CA-O 3.5Å; A121-Y183 WeakPolarHBondContact O-CA 3.38Å; A121-D184 PolarHBondContact O-N 2.91Å
122	V	82.3	Confident	73.4	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	152.5	177.7	-174.6	0	0	0	0	109.4	V120 K124 T170 L171 H173 L182 Y183 F869	V120-V122 PolarHBondContact O-N 2.73Å; V122-K124 PolarHBondContact O-N 3.4Å; V122-T170 WeakPolarHBondContact O-CG2 3.47Å; V122-L171 WeakPolarHBondContact CB-O 3.42Å; V122-L171 PolarHBondContact N-O 2.8Å; V122-H173 HydrophobicContact CG2-CB 3.47Å; V122-H173 VanDerWaalsContact CG2-CB 3.47Å; V122-L182 WeakPolarHBondContact CA-O 3.25Å; V122-L182 VanDerWaalsContact CG1-O 3.23Å; V122-L182 WeakPolarHBondContact CG1-O 3.34Å; V122-Y183 HydrophobicContact CG2-CD1 4.36Å; V122-Y183 HydrophobicContact CG2-CE1 4.27Å; V122-F869 HydrophobicContact CG1-CD1 3.73Å; V122-F869 HydrophobicContact CG1-CE1 3.16Å; V122-F869 HydrophobicContact CG1-CZ 3.72Å
123	K	79.3	Confident	72.5	Confident	118 Å²	118	71.2 Å²	71.2	51%	0.513	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-29.4	177.8	-71.3	177.1	178.2	163.4	0	114.2	K125 H181 L182 Y183 D184	K123-K125 PolarHBondContact O-N 3.3Å; K123-H181 WeakPolarHBondContact CE-O 3.25Å; K123-H181 PolarHBondContact NZ-O 2.88Å; K123-L182 PolarHBondContact N-O 3.01Å; K123-Y183 VanDerWaalsContact CE-O 3.29Å; K123-Y183 WeakPolarHBondContact CE-O 3.47Å; K123-D184 HydrophobicContact CG-CB 4.14Å
124	K	77	Confident	71.2	Confident	58 Å²	58	77.6 Å²	77.6	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.5	179.1	-166.2	174.6	-176	-179	0	109.9	V122 L171 A865 E868 F869	V122-K124 PolarHBondContact O-N 3.4Å; K124-L171 HydrophobicContact CB-CD1 4.45Å; K124-L171 HydrophobicContact CG-CD1 4.4Å; K124-L171 PolarHBondContact O-N 3.35Å; K124-A865 PolarHBondContact NZ-O 3.01Å; K124-E868 IonicContact NZ-OE2 3.61Å; K124-E868 PolarHBondContact NZ-OE2 3.18Å; K124-F869 HydrophobicContact CB-CD2 3.88Å; K124-F869 HydrophobicContact CB-CE2 4.14Å; K124-F869 HydrophobicContact CB-CG 4.16Å; K124-F869 HydrophobicContact CD-CB 3.59Å; K124-F869 HydrophobicContact CD-CD2 3.7Å; K124-F869 HydrophobicContact CD-CG 3.86Å; K124-F869 HydrophobicContact CG-CD2 4.33Å
125	K	74.8	Confident	69.8	Low	100 Å²	100	77 Å²	77	44%	0.435	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.1	174	-64.2	179.1	-178.8	178	0	109.5	K123 F168	K123-K125 PolarHBondContact O-N 3.3Å; K125-F168 HydrophobicContact CB-CB 4.29Å; K125-F168 HydrophobicContact CB-CD1 4.32Å; K125-F168 HydrophobicContact CD-CB 4.32Å
126	C	66.8	Low	68.9	Low	28 Å²	28	73.4 Å²	73.4	19%	0.189	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.4	175.3	-169.1	0	0	0	0	109.7	L128 K169 L171	C126-L128 PolarHBondContact O-N 3.19Å; C126-K169 PolarHBondContact N-O 3.07Å; C126-K169 PolarHBondContact O-N 2.89Å; C126-L171 HydrophobicContact CB-CD1 4.37Å; C126-L171 HydrophobicContact CB-CD2 4.01Å; C126-L171 HydrophobicContact CB-CG 4.06Å
127	E	65.8	Low	68.4	Low	138 Å²	138	79.7 Å²	79.7	65%	0.645	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.4	175.1	-74.8	179.4	-170	0	0	111.1	R129 V166 F168	E127-R129 PolarHBondContact O-N 2.81Å; E127-V166 HydrophobicContact CB-CG1 4.48Å; E127-V166 HydrophobicContact CG-CG1 4.27Å; E127-F168 HydrophobicContact CG-CD1 3.76Å; E127-F168 HydrophobicContact CG-CE1 3.33Å; E127-F168 HydrophobicContact CG-CZ 4.23Å
128	L	59.7	Low	67.6	Low	52 Å²	52	83 Å²	83	27%	0.272	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	100.9	167.8	-75.3	155.5	0	0	0	108.9	C126 K130 N167 K169	C126-L128 PolarHBondContact O-N 3.19Å; L128-K130 PolarHBondContact O-N 3.47Å; L128-N167 HydrophobicContact CB-CB 4.19Å; L128-N167 WeakPolarHBondContact CB-O 3.38Å; L128-N167 HydrophobicContact CD1-CB 4.18Å; L128-N167 PolarHBondContact N-O 2.95Å; L128-K169 HydrophobicContact CD1-CB 3.79Å; L128-K169 HydrophobicContact CG-CB 4.25Å
129	R	55.2	Low	66.7	Low	204 Å²	204	85.8 Å²	85.8	77%	0.77	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-65	116.1	170	-169.9	174.4	179.9	177.5	0.4	109.3	E127	E127-R129 PolarHBondContact O-N 2.81Å
130	K	55	Low	66.1	Low	120 Å²	120	87 Å²	87	52%	0.522	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-58.8	144.6	172	-75.3	-179.4	178.9	162.7	0	110.4	L128 T132 H165	L128-K130 PolarHBondContact O-N 3.47Å; K130-T132 PolarHBondContact O-N 3.15Å; K130-H165 WeakPolarHBondContact CE-O 3.42Å; K130-H165 PolarHBondContact NZ-O 3.29Å
131	R	55.3	Low	65.4	Low	139 Å²	139	90.3 Å²	90.3	53%	0.525	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.6	116.6	169.6	-77.7	177.9	172	170.1	-3.4	108.6	G136	R131-G136 VanDerWaalsContact O-CA 3.26Å; R131-G136 WeakPolarHBondContact O-CA 3.47Å
132	T	50.5	Low	64.6	Low	117 Å²	117	92.3 Å²	92.3	72%	0.718	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-91.9	141.7	175.8	45.3	0	0	0	0	110.7	K130	K130-T132 PolarHBondContact O-N 3.15Å
133	G	66.7	Low	63.8	Low	57 Å²	57	95 Å²	95	59%	0.588	48%	0.481	S	S	*	.	S	Bend	trans	108.9	-158.5	179.5	0	0	0	0	0	113.8	A135 G136 M137	G133-A135 VanDerWaalsContact C-N 3.25Å; G133-A135 PolarHBondContact O-N 3.29Å; G133-G136 PolarHBondContact O-N 3.06Å; G133-M137 PolarHBondContact O-N 3.19Å
134	I	57.5	Low	63.2	Low	135 Å²	135	95.8 Å²	95.8	69%	0.692	49%	0.487	S	S	*	.	H	α-helix	trans	-55.1	-40.7	-176.7	-59.6	171.1	0	0	0	111.3	G136 M137 W138	I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 2.9Å; I134-M137 WeakPolarHBondContact O-CB 3.35Å; I134-M137 PolarHBondContact O-N 3.41Å; I134-W138 PolarHBondContact O-N 2.98Å; I134-W138 VanDerWaalsContact O-N 3.07Å
135	A	56.5	Low	63	Low	46 Å²	46	98.7 Å²	98.7	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-37.3	176.7	0	0	0	0	0	113.4	G133 M137 W138 D139	G133-A135 VanDerWaalsContact C-N 3.25Å; G133-A135 PolarHBondContact O-N 3.29Å; A135-M137 VanDerWaalsContact C-N 3.33Å; A135-W138 PolarHBondContact O-N 3.3Å; A135-D139 VanDerWaalsContact O-CG 3.28Å; A135-D139 PolarHBondContact O-N 3.4Å
136	G	63.7	Low	62.7	Low	13 Å²	13	96 Å²	96	13%	0.134	50%	0.495	C	S	.	.	H	α-helix	trans	-70.4	-30.5	176.2	0	0	0	0	0	113	R131 G133 I134 T140	R131-G136 VanDerWaalsContact O-CA 3.26Å; R131-G136 WeakPolarHBondContact O-CA 3.47Å; G133-G136 PolarHBondContact O-N 3.06Å; I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 2.9Å; G136-T140 WeakPolarHBondContact O-CB 3.16Å; G136-T140 PolarHBondContact O-N 3.24Å; G136-T140 PolarHBondContact O-OG1 3.37Å
137	M	63.8	Low	62.5	Low	138 Å²	138	103.5 Å²	103.5	68%	0.68	52%	0.519	S	S	*	.	H	α-helix	trans	-69.4	-43	174.2	-151.9	163.8	84.3	0	0	110.9	G133 I134 A135 T140 V141	G133-M137 PolarHBondContact O-N 3.19Å; I134-M137 WeakPolarHBondContact O-CB 3.35Å; I134-M137 PolarHBondContact O-N 3.41Å; A135-M137 VanDerWaalsContact C-N 3.33Å; M137-T140 PolarHBondContact O-N 3.2Å; M137-V141 WeakPolarHBondContact O-CG2 3.36Å; M137-V141 PolarHBondContact O-N 3.24Å
138	W	63.9	Low	62.5	Low	164 Å²	164	101 Å²	101	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-61.1	-45.1	171	-78.4	103.4	0	0	0	112.6	I134 A135 T140 V141 I142	I134-W138 PolarHBondContact O-N 2.98Å; I134-W138 VanDerWaalsContact O-N 3.07Å; A135-W138 PolarHBondContact O-N 3.3Å; W138-T140 PolarHBondContact O-N 2.93Å; W138-V141 PolarHBondContact O-N 3.17Å; W138-I142 WeakPolarHBondContact O-CB 3.44Å; W138-I142 WeakPolarHBondContact O-CD1 3.5Å; W138-I142 WeakPolarHBondContact O-CG1 3.35Å; W138-I142 PolarHBondContact O-N 3.4Å
139	D	63.4	Low	62.7	Low	73 Å²	73	102.4 Å²	102.4	39%	0.39	52%	0.519	S	S	.	.	H	α-helix	trans	-59.8	-36.5	176.5	-73.2	-23.2	0	0	0	111.2	A135 S143	A135-D139 VanDerWaalsContact O-CG 3.28Å; A135-D139 PolarHBondContact O-N 3.4Å; D139-S143 VanDerWaalsContact O-CB 3.25Å; D139-S143 WeakPolarHBondContact O-CB 3.41Å; D139-S143 PolarHBondContact O-N 2.96Å; D139-S143 PolarHBondContact O-OG 2.94Å
140	T	66.3	Low	62.9	Low	77 Å²	77	97.9 Å²	97.9	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-69.4	-45.6	177.1	-52.5	0	0	0	0	111.5	G136 M137 W138 S143 Q144	G136-T140 WeakPolarHBondContact O-CB 3.16Å; G136-T140 PolarHBondContact O-N 3.24Å; G136-T140 PolarHBondContact O-OG1 3.37Å; M137-T140 PolarHBondContact O-N 3.2Å; W138-T140 PolarHBondContact O-N 2.93Å; T140-S143 PolarHBondContact O-N 3.27Å; T140-S143 PolarHBondContact O-OG 2.9Å; T140-Q144 PolarHBondContact O-N 3.19Å
141	V	67.5	Low	63.1	Low	82 Å²	82	93.2 Å²	93.2	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.2	171.3	0	0	0	0	111.1	M137 W138 S143 Q144 L145	M137-V141 WeakPolarHBondContact O-CG2 3.36Å; M137-V141 PolarHBondContact O-N 3.24Å; W138-V141 PolarHBondContact O-N 3.17Å; V141-S143 VanDerWaalsContact C-N 3.32Å; V141-S143 PolarHBondContact O-N 2.93Å; V141-Q144 PolarHBondContact O-N 2.91Å; V141-L145 PolarHBondContact O-N 3.22Å
142	I	66.6	Low	63	Low	77 Å²	77	92.3 Å²	92.3	40%	0.395	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.9	-69.3	166.1	0	0	0	110.3	W138 Q144 L145 N146	W138-I142 WeakPolarHBondContact O-CB 3.44Å; W138-I142 WeakPolarHBondContact O-CD1 3.5Å; W138-I142 WeakPolarHBondContact O-CG1 3.35Å; W138-I142 PolarHBondContact O-N 3.4Å; I142-Q144 VanDerWaalsContact C-N 3.32Å; I142-Q144 PolarHBondContact O-N 3.41Å; I142-L145 PolarHBondContact O-N 2.98Å; I142-N146 WeakPolarHBondContact CG2-ND2 3.43Å; I142-N146 WeakPolarHBondContact O-CB 3.4Å; I142-N146 PolarHBondContact O-N 3.13Å
143	S	65.3	Low	63.3	Low	60 Å²	60	88.2 Å²	88.2	42%	0.42	47%	0.469	S	S	.	.	H	α-helix	trans	-65.2	-33.8	177.8	77.3	0	0	0	0	113.1	D139 T140 V141 R147	D139-S143 VanDerWaalsContact O-CB 3.25Å; D139-S143 WeakPolarHBondContact O-CB 3.41Å; D139-S143 PolarHBondContact O-N 2.96Å; D139-S143 PolarHBondContact O-OG 2.94Å; T140-S143 PolarHBondContact O-N 3.27Å; T140-S143 PolarHBondContact O-OG 2.9Å; V141-S143 VanDerWaalsContact C-N 3.32Å; V141-S143 PolarHBondContact O-N 2.93Å; S143-R147 WeakPolarHBondContact O-CG 3.5Å; S143-R147 PolarHBondContact O-N 3.23Å; S143-R147 VanDerWaalsContact O-N 3.08Å
144	Q	66.6	Low	62.7	Low	133 Å²	133	89.9 Å²	89.9	62%	0.621	47%	0.469	S	S	*	.	H	α-helix	trans	-72.8	-39.3	175.1	-75	-169.3	-6.4	0	0	111.9	T140 V141 I142 N146	T140-Q144 PolarHBondContact O-N 3.19Å; V141-Q144 PolarHBondContact O-N 2.91Å; I142-Q144 VanDerWaalsContact C-N 3.32Å; I142-Q144 PolarHBondContact O-N 3.41Å; Q144-N146 VanDerWaalsContact C-N 3.32Å
145	L	71.5	Confident	62.4	Low	119 Å²	119	87.7 Å²	87.7	62%	0.623	46%	0.459	S	S	*	.	H	α-helix	trans	-66.4	-35.1	174.8	-171.4	65.5	0	0	0	111.9	V141 I142 P148 F149	V141-L145 PolarHBondContact O-N 3.22Å; I142-L145 PolarHBondContact O-N 2.98Å; L145-P148 WeakPolarHBondContact O-CD 3.34Å; L145-F149 WeakPolarHBondContact O-CD2 3.21Å
146	N	69.6	Low	61.9	Low	45 Å²	45	91 Å²	91	24%	0.241	47%	0.47	C	S	.	.	H	α-helix	trans	-87.4	-13	-176.9	-69.8	-7	0	0	0	114.3	I142 Q144 F149 Q150 Y268	I142-N146 WeakPolarHBondContact CG2-ND2 3.43Å; I142-N146 WeakPolarHBondContact O-CB 3.4Å; I142-N146 PolarHBondContact O-N 3.13Å; Q144-N146 VanDerWaalsContact C-N 3.32Å; N146-F149 CarbonylContact O-C 3.58Å; N146-F149 PolarHBondContact O-N 2.83Å; N146-Q150 PolarHBondContact O-N 3.24Å; N146-Y268 HydrophobicContact CB-CE2 4.2Å
147	R	62.6	Low	61	Low	185 Å²	185	93.9 Å²	93.9	70%	0.698	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-49.1	-48.6	176.9	-100.7	-178.5	179.4	-162.2	-0.3	115	S143 F149 Q150	S143-R147 WeakPolarHBondContact O-CG 3.5Å; S143-R147 PolarHBondContact O-N 3.23Å; S143-R147 VanDerWaalsContact O-N 3.08Å; R147-F149 PolarHBondContact O-N 3.45Å; R147-Q150 PolarHBondContact O-N 3.26Å
148	P	64.6	Low	60.3	Low	84 Å²	84	90.4 Å²	90.4	55%	0.545	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-69.5	-21.9	179.2	26.9	-34.9	0	0	0	113.2	L145	L145-P148 WeakPolarHBondContact O-CD 3.34Å
149	F	64.6	Low	59.4	Low	82 Å²	82	86.9 Å²	86.9	36%	0.36	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-91.1	-11.7	-179.9	-57.7	-67.1	0	0	0	112.5	L145 N146 R147 F266 K267 Y268	L145-F149 WeakPolarHBondContact O-CD2 3.21Å; N146-F149 CarbonylContact O-C 3.58Å; N146-F149 PolarHBondContact O-N 2.83Å; R147-F149 PolarHBondContact O-N 3.45Å; F149-F266 WeakPolarHBondContact CD1-O 3.38Å; F149-K267 CarbonylContact O-C 3.59Å; F149-K267 WeakPolarHBondContact O-CA 3.4Å; F149-Y268 HydrophobicContact CB-CD2 3.58Å; F149-Y268 HydrophobicContact CB-CE2 3.45Å; F149-Y268 VanDerWaalsContact CB-CE2 3.45Å; F149-Y268 HydrophobicContact CG-CE2 4.41Å; F149-Y268 VanDerWaalsContact O-CD2 3.31Å; F149-Y268 WeakPolarHBondContact O-CD2 3.22Å; F149-Y268 PolarHBondContact O-N 2.85Å
150	Q	60.4	Low	58.3	Low	109 Å²	109	91.2 Å²	91.2	51%	0.509	47%	0.472	S	S	.	.	S	Bend	trans	-80.7	134.8	-177.8	-160.9	168.1	-3.4	0	0	111.1	N146 R147	N146-Q150 PolarHBondContact O-N 3.24Å; R147-Q150 PolarHBondContact O-N 3.26Å
151	P	58.3	Low	56.9	Low	22 Å²	22	91.9 Å²	91.9	14%	0.143	47%	0.472	C	S	.	.			trans	-69.8	145.9	176.3	29.7	-35.2	0	0	0	110.9	V153 P270	P151-V153 VanDerWaalsContact C-N 3.33Å; P151-V153 HydrophobicContact CB-CG2 4.09Å; P151-V153 HydrophobicContact CG-CG2 4.4Å; P151-V153 PolarHBondContact O-N 2.73Å; P151-P270 HydrophobicContact CB-CB 4.33Å; P151-P270 HydrophobicContact CG-CB 3.93Å
152	D	54.1	Low	55.6	Low	120 Å²	120	93.8 Å²	93.8	64%	0.642	49%	0.489	S	S	*	.			trans	-84.4	77.1	-178.5	-168.7	22.8	0	0	0	109.8
153	V	56.4	Low	54.4	Low	32 Å²	32	99.5 Å²	99.5	19%	0.194	51%	0.514	C	S	.	.			trans	-117.8	136.4	-178.3	-175.4	0	0	0	0	109.5	P151 D155 P270 L273	P151-V153 VanDerWaalsContact C-N 3.33Å; P151-V153 HydrophobicContact CB-CG2 4.09Å; P151-V153 HydrophobicContact CG-CG2 4.4Å; P151-V153 PolarHBondContact O-N 2.73Å; V153-D155 PolarHBondContact O-N 3.08Å; V153-D155 VanDerWaalsContact O-N 3.09Å; V153-P270 HydrophobicContact CG2-CB 3.98Å; V153-L273 HydrophobicContact CG1-CB 4.47Å; V153-L273 HydrophobicContact CG1-CD2 4.24Å; V153-L273 HydrophobicContact CG2-CD2 4.34Å
154	P	53.1	Low	53.4	Low	92 Å²	92	99.4 Å²	99.4	60%	0.597	51%	0.514	S	S	*	.			trans	-66.6	107.9	170.8	24.5	-30.5	0	0	0	110.4	N156	P154-N156 PolarHBondContact O-N 2.74Å
155	D	50.8	Low	52.4	Low	89 Å²	89	100.4 Å²	100.4	48%	0.476	52%	0.518	S	S	.	.			trans	-70.2	91.3	170.8	-78.1	-28.5	0	0	0	109.8	V153 D157	V153-D155 PolarHBondContact O-N 3.08Å; V153-D155 VanDerWaalsContact O-N 3.09Å; D155-D157 VanDerWaalsContact C-N 3.26Å; D155-D157 PolarHBondContact O-N 3.09Å
156	N	47.5	Very low	51.3	Low	114 Å²	114	96.9 Å²	96.9	61%	0.61	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.3	-179.9	-86.9	-3	0	0	0	113.8	P154	P154-N156 PolarHBondContact O-N 2.74Å
157	D	43.3	Very low	50.6	Low	74 Å²	74	96.5 Å²	96.5	40%	0.396	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-13.5	-175.9	-76.5	-11.2	0	0	0	113.2	D155 K172	D155-D157 VanDerWaalsContact C-N 3.26Å; D155-D157 PolarHBondContact O-N 3.09Å; D157-K172 IonicContact OD2-NZ 2.72Å
158	I	49.4	Very low	50.4	Low	65 Å²	65	89.7 Å²	89.7	33%	0.333	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	94.4	180	-56.7	174.7	0	0	0	109.2	K160 N167	I158-K160 PolarHBondContact O-N 2.92Å; I158-N167 HydrophobicContact CG2-CB 3.84Å
159	H	44.8	Very low	50.4	Low	90 Å²	90	87.4 Å²	87.4	42%	0.417	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116	169.7	-82.8	-71.8	0	0	0	109.8
160	K	41.8	Very low	50.7	Low	165 Å²	165	84.5 Å²	84.5	72%	0.717	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.5	164.6	-86.1	175.4	180	161	0	108.7	I158 S162	I158-K160 PolarHBondContact O-N 2.92Å; K160-S162 PolarHBondContact O-N 3.41Å
161	D	35.2	Very low	51.3	Low	91 Å²	91	79.7 Å²	79.7	49%	0.487	42%	0.423	S	S	.	.			trans	-71.8	122.2	164	-98.8	-23.3	0	0	0	109.4	Q163 S164 H165	D161-Q163 PolarHBondContact O-N 3.26Å; D161-Q163 VanDerWaalsContact O-N 3.13Å; D161-S164 PolarHBondContact O-N 3.17Å; D161-H165 PolarHBondContact O-N 2.91Å
162	S	41.8	Very low	52.1	Low	122 Å²	122	80.8 Å²	80.8	85%	0.853	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.4	-178.4	-29	0	0	0	0	112.6	K160	K160-S162 PolarHBondContact O-N 3.41Å
163	Q	41.8	Very low	53.4	Low	196 Å²	196	76.7 Å²	76.7	92%	0.916	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.5	-174.9	-67.8	-179	-10	0	0	114.1	D161	D161-Q163 PolarHBondContact O-N 3.26Å; D161-Q163 VanDerWaalsContact O-N 3.13Å
164	S	43.7	Very low	54.4	Low	58 Å²	58	76.6 Å²	76.6	41%	0.406	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-9.4	-170.1	67.6	0	0	0	0	116.2	D161 V166	D161-S164 PolarHBondContact O-N 3.17Å; S164-V166 WeakPolarHBondContact O-CG2 2.88Å; S164-V166 PolarHBondContact O-N 3.39Å
165	H	44.8	Very low	55.7	Low	155 Å²	155	72.3 Å²	72.3	72%	0.718	38%	0.375	S	S	*	.			trans	53.9	17.6	-175.4	-77.9	-73.9	0	0	0	114.9	K130 D161	K130-H165 WeakPolarHBondContact CE-O 3.42Å; K130-H165 PolarHBondContact NZ-O 3.29Å; D161-H165 PolarHBondContact O-N 2.91Å
166	V	48.9	Very low	57.1	Low	44 Å²	44	70.4 Å²	70.4	27%	0.267	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-93.4	133	174.8	-176.2	0	0	0	0	109	E127 S164 F168	E127-V166 HydrophobicContact CB-CG1 4.48Å; E127-V166 HydrophobicContact CG-CG1 4.27Å; S164-V166 WeakPolarHBondContact O-CG2 2.88Å; S164-V166 PolarHBondContact O-N 3.39Å; V166-F168 HydrophobicContact CB-CE2 4.17Å; V166-F168 HydrophobicContact CB-CZ 4.39Å; V166-F168 HydrophobicContact CG1-CE1 4.47Å; V166-F168 HydrophobicContact CG1-CE2 4.22Å; V166-F168 HydrophobicContact CG1-CZ 4.14Å
167	N	53.8	Low	58.5	Low	38 Å²	38	70.3 Å²	70.3	20%	0.203	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.3	173.8	-72.7	1	0	0	0	108.1	L128 I158	L128-N167 HydrophobicContact CB-CB 4.19Å; L128-N167 WeakPolarHBondContact CB-O 3.38Å; L128-N167 HydrophobicContact CD1-CB 4.18Å; L128-N167 PolarHBondContact N-O 2.95Å; I158-N167 HydrophobicContact CG2-CB 3.84Å
168	F	59.5	Low	60.2	Low	41 Å²	41	73 Å²	73	18%	0.18	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.5	172	-65.6	-85.9	0	0	0	109.5	K125 E127 V166	K125-F168 HydrophobicContact CB-CB 4.29Å; K125-F168 HydrophobicContact CB-CD1 4.32Å; K125-F168 HydrophobicContact CD-CB 4.32Å; E127-F168 HydrophobicContact CG-CD1 3.76Å; E127-F168 HydrophobicContact CG-CE1 3.33Å; E127-F168 HydrophobicContact CG-CZ 4.23Å; V166-F168 HydrophobicContact CB-CE2 4.17Å; V166-F168 HydrophobicContact CB-CZ 4.39Å; V166-F168 HydrophobicContact CG1-CE1 4.47Å; V166-F168 HydrophobicContact CG1-CE2 4.22Å; V166-F168 HydrophobicContact CG1-CZ 4.14Å
169	K	64.6	Low	61.7	Low	37 Å²	37	72.9 Å²	72.9	16%	0.161	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.1	169.1	-169.7	-173.3	-179.7	-155.6	0	108.9	C126 L128 L171 E862	C126-K169 PolarHBondContact N-O 3.07Å; C126-K169 PolarHBondContact O-N 2.89Å; L128-K169 HydrophobicContact CD1-CB 3.79Å; L128-K169 HydrophobicContact CG-CB 4.25Å; K169-L171 PolarHBondContact O-N 3.03Å; K169-E862 VanDerWaalsContact CD-OE1 3.31Å; K169-E862 WeakPolarHBondContact CD-OE1 3.34Å; K169-E862 VanDerWaalsContact NZ-CD 3.26Å; K169-E862 IonicContact NZ-OE1 2.74Å; K169-E862 PolarHBondContact NZ-OE1 3.19Å; K169-E862 IonicContact NZ-OE2 3.72Å; K169-E862 PolarHBondContact NZ-OE2 3.44Å
170	T	69.8	Low	63.3	Low	21 Å²	21	72 Å²	72	13%	0.129	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.5	174.1	-43.5	0	0	0	0	109.2	A121 V122	A121-T170 HydrophobicContact CB-CG2 3.78Å; V122-T170 WeakPolarHBondContact O-CG2 3.47Å
171	L	74.9	Confident	65	Low	8 Å²	8	69 Å²	69	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	148.4	176.3	-68.9	170	0	0	0	109.3	A121 V122 K124 C126 K169 E862 A865	A121-L171 WeakPolarHBondContact CA-O 3.5Å; V122-L171 WeakPolarHBondContact CB-O 3.42Å; V122-L171 PolarHBondContact N-O 2.8Å; K124-L171 HydrophobicContact CB-CD1 4.45Å; K124-L171 HydrophobicContact CG-CD1 4.4Å; K124-L171 PolarHBondContact O-N 3.35Å; C126-L171 HydrophobicContact CB-CD1 4.37Å; C126-L171 HydrophobicContact CB-CD2 4.01Å; C126-L171 HydrophobicContact CB-CG 4.06Å; K169-L171 PolarHBondContact O-N 3.03Å; L171-E862 HydrophobicContact CD2-CB 3.92Å; L171-E862 HydrophobicContact CD2-CG 3.87Å; L171-A865 HydrophobicContact CD1-CB 4.12Å
172	K	74.9	Confident	67.1	Low	44 Å²	44	64.8 Å²	64.8	19%	0.191	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.8	177.7	-62.9	174	-174.9	176.9	0	110.2	K119 V120 D157 D393	K119-K172 HydrophobicContact CB-CB 4.21Å; V120-K172 CarbonylContact O-C 3.58Å; V120-K172 VanDerWaalsContact O-CA 3.26Å; V120-K172 WeakPolarHBondContact O-CA 3.34Å; D157-K172 IonicContact OD2-NZ 2.72Å; K172-D393 WeakPolarHBondContact CD-OD2 3.48Å; K172-D393 WeakPolarHBondContact CE-OD2 3.36Å; K172-D393 IonicContact NZ-OD2 2.88Å; K172-D393 PolarHBondContact NZ-OD2 2.93Å
173	H	79.9	Confident	69	Low	35 Å²	35	59 Å²	59	16%	0.162	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.5	178.7	-171.7	50.8	0	0	0	110.6	K119 V120 V122 F175 Y183 L866	K119-H173 CarbonylContact C-O 3.56Å; K119-H173 VanDerWaalsContact CA-O 3.31Å; K119-H173 WeakPolarHBondContact CA-O 3.48Å; V120-H173 PolarHBondContact N-O 3.27Å; V120-H173 PolarHBondContact O-N 3.41Å; V122-H173 HydrophobicContact CG2-CB 3.47Å; V122-H173 VanDerWaalsContact CG2-CB 3.47Å; H173-F175 PolarHBondContact O-N 2.74Å; H173-Y183 HydrophobicContact CB-CE1 4.28Å; H173-L866 HydrophobicContact CB-CD1 4.11Å
174	S	79	Confident	70.6	Confident	29 Å²	29	53 Å²	53	20%	0.203	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	126.3	178.1	-69.5	0	0	0	0	110	K117 I176 Y183	K117-S174 PolarHBondContact O-OG 2.75Å; S174-I176 PolarHBondContact O-N 3.07Å; S174-Y183 PolarHBondContact O-OH 3.44Å
175	F	79.5	Confident	72.2	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.009	26%	0.258	C	S	.	.			trans	-59.7	127	-173.6	-174	-101.7	0	0	0	111.2	S110 A113 E114 I118 V120 H173 L180 Y183 L191 F192	S110-F175 WeakPolarHBondContact O-CE1 3.44Å; A113-F175 HydrophobicContact CB-CD1 3.95Å; E114-F175 HydrophobicContact CB-CD1 4.45Å; I118-F175 VanDerWaalsContact O-CB 3.24Å; I118-F175 WeakPolarHBondContact O-CB 3.34Å; I118-F175 PolarHBondContact O-N 3.17Å; V120-F175 HydrophobicContact CB-CD2 4.38Å; V120-F175 HydrophobicContact CG2-CB 4.03Å; V120-F175 HydrophobicContact CG2-CD2 3.92Å; V120-F175 HydrophobicContact CG2-CG 4.33Å; H173-F175 PolarHBondContact O-N 2.74Å; F175-L180 HydrophobicContact CE2-CD2 4.01Å; F175-L180 HydrophobicContact CZ-CD2 3.83Å; F175-Y183 WeakPolarHBondContact CA-OH 3.34Å; F175-Y183 HydrophobicContact CD2-CD2 4.17Å; F175-Y183 AromaticContact CD2-CE2 4Å; F175-Y183 HydrophobicContact CD2-CE2 4Å; F175-Y183 HydrophobicContact CE2-CD2 4.27Å; F175-Y183 HydrophobicContact CE2-CE2 4.39Å; F175-L191 HydrophobicContact CE2-CD2 4.18Å; F175-F192 HydrophobicContact CD1-CZ 4.46Å; F175-F192 HydrophobicContact CD2-CZ 4.38Å; F175-F192 HydrophobicContact CE2-CZ 4.41Å; F175-F192 HydrophobicContact CG-CZ 4.4Å; F175-F192 HydrophobicContact CZ-CZ 4.46Å
176	I	79.6	Confident	73.4	Confident	50 Å²	50	53.6 Å²	53.6	26%	0.256	26%	0.259	S	S	.	.			trans	-122.5	121.3	176.5	-62.7	167.4	0	0	0	106.5	S174 D178 K179 Y183	S174-I176 PolarHBondContact O-N 3.07Å; I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 HydrophobicContact CG2-CB 4.47Å; I176-D178 PolarHBondContact O-N 3.21Å; I176-K179 HydrophobicContact CB-CB 4.33Å; I176-K179 HydrophobicContact CG2-CB 4.18Å; I176-K179 HydrophobicContact CG2-CG 4.11Å; I176-K179 PolarHBondContact O-N 3.13Å; I176-Y183 PolarHBondContact N-OH 2.94Å
177	R	77.4	Confident	74.5	Confident	112 Å²	112	53.9 Å²	53.9	42%	0.423	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-65	-34.7	-173.6	-173.3	-176.6	67	-179.2	-3.6	111.9	E114 K179 L180	E114-R177 PolarHBondContact OE1-N 3.35Å; E114-R177 WeakPolarHBondContact OE2-CB 3.27Å; R177-K179 VanDerWaalsContact C-N 3.32Å; R177-K179 PolarHBondContact O-N 3.27Å; R177-L180 WeakPolarHBondContact O-CG 3.35Å
178	D	78.4	Confident	75.3	Confident	129 Å²	129	55.7 Å²	55.7	69%	0.69	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-79.1	-17.7	-176.4	-60.9	-13.2	0	0	0	112.5	I176	I176-D178 VanDerWaalsContact C-N 3.27Å; I176-D178 HydrophobicContact CG2-CB 4.47Å; I176-D178 PolarHBondContact O-N 3.21Å
179	K	81.9	Confident	75.7	Confident	63 Å²	63	57 Å²	57	27%	0.274	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-112.7	46.2	-178.3	-58.7	-165.8	-178.7	-172.6	0	113.1	I176 R177 H181 L182 D874	I176-K179 HydrophobicContact CB-CB 4.33Å; I176-K179 HydrophobicContact CG2-CB 4.18Å; I176-K179 HydrophobicContact CG2-CG 4.11Å; I176-K179 PolarHBondContact O-N 3.13Å; R177-K179 VanDerWaalsContact C-N 3.32Å; R177-K179 PolarHBondContact O-N 3.27Å; K179-H181 PolarHBondContact O-N 3.13Å; K179-H181 VanDerWaalsContact O-N 3.12Å; K179-L182 HydrophobicContact CB-CD1 3.56Å; K179-L182 HydrophobicContact CB-CG 3.95Å; K179-L182 HydrophobicContact CD-CD1 3.78Å; K179-L182 HydrophobicContact CG-CD1 4.3Å; K179-L182 WeakPolarHBondContact O-CB 3.38Å; K179-L182 WeakPolarHBondContact O-CG 3.23Å; K179-L182 PolarHBondContact O-N 3.11Å; K179-D874 IonicContact NZ-OD1 2.75Å; K179-D874 PolarHBondContact NZ-OD1 2.84Å; K179-D874 IonicContact NZ-OD2 3.62Å
180	L	79.1	Confident	76.2	Confident	72 Å²	72	60 Å²	60	38%	0.377	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-56	-28.9	179.1	-74.3	161.8	0	0	0	114.1	F175 R177 L182 Y183 I185	F175-L180 HydrophobicContact CE2-CD2 4.01Å; F175-L180 HydrophobicContact CZ-CD2 3.83Å; R177-L180 WeakPolarHBondContact O-CG 3.35Å; L180-L182 PolarHBondContact O-N 3.5Å; L180-Y183 PolarHBondContact O-N 3.4Å; L180-I185 HydrophobicContact CB-CD1 4.37Å; L180-I185 HydrophobicContact CD2-CD1 3.63Å
181	H	77.1	Confident	76.7	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.468	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20	-178.1	62.8	-89	0	0	0	113.9	K123 K179 Y183 Q873	K123-H181 WeakPolarHBondContact CE-O 3.25Å; K123-H181 PolarHBondContact NZ-O 2.88Å; K179-H181 PolarHBondContact O-N 3.13Å; K179-H181 VanDerWaalsContact O-N 3.12Å; H181-Y183 VanDerWaalsContact C-N 3.32Å; H181-Q873 PolarHBondContact CD2-OE1 3.16Å
182	L	78.4	Confident	77.1	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-70.4	-28.7	177.5	-60.3	178.3	0	0	0	112.2	V122 K123 K179 L180 F869 L870 Q873	V122-L182 WeakPolarHBondContact CA-O 3.25Å; V122-L182 VanDerWaalsContact CG1-O 3.23Å; V122-L182 WeakPolarHBondContact CG1-O 3.34Å; K123-L182 PolarHBondContact N-O 3.01Å; K179-L182 HydrophobicContact CB-CD1 3.56Å; K179-L182 HydrophobicContact CB-CG 3.95Å; K179-L182 HydrophobicContact CD-CD1 3.78Å; K179-L182 HydrophobicContact CG-CD1 4.3Å; K179-L182 WeakPolarHBondContact O-CB 3.38Å; K179-L182 WeakPolarHBondContact O-CG 3.23Å; K179-L182 PolarHBondContact O-N 3.11Å; L180-L182 PolarHBondContact O-N 3.5Å; L182-F869 HydrophobicContact CB-CE1 4.34Å; L182-F869 HydrophobicContact CD2-CE1 3.72Å; L182-F869 HydrophobicContact CD2-CZ 3.94Å; L182-L870 HydrophobicContact CD1-CD2 4.37Å; L182-Q873 HydrophobicContact CD2-CB 4.08Å; L182-Q873 HydrophobicContact CD2-CG 3.7Å
183	Y	81.3	Confident	77.4	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.008	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-93.5	148.2	-172.1	-55.6	-73.2	0	0	0	112.4	V120 A121 V122 K123 H173 S174 F175 I176 L180 H181 I185	V120-Y183 HydrophobicContact CB-CD1 3.82Å; V120-Y183 HydrophobicContact CB-CE1 4.06Å; V120-Y183 HydrophobicContact CG1-CD1 3.89Å; V120-Y183 HydrophobicContact CG1-CG 4.3Å; A121-Y183 WeakPolarHBondContact O-CA 3.38Å; V122-Y183 HydrophobicContact CG2-CD1 4.36Å; V122-Y183 HydrophobicContact CG2-CE1 4.27Å; K123-Y183 VanDerWaalsContact CE-O 3.29Å; K123-Y183 WeakPolarHBondContact CE-O 3.47Å; H173-Y183 HydrophobicContact CB-CE1 4.28Å; S174-Y183 PolarHBondContact O-OH 3.44Å; F175-Y183 WeakPolarHBondContact CA-OH 3.34Å; F175-Y183 HydrophobicContact CD2-CD2 4.17Å; F175-Y183 AromaticContact CD2-CE2 4Å; F175-Y183 HydrophobicContact CD2-CE2 4Å; F175-Y183 HydrophobicContact CE2-CD2 4.27Å; F175-Y183 HydrophobicContact CE2-CE2 4.39Å; I176-Y183 PolarHBondContact N-OH 2.94Å; L180-Y183 PolarHBondContact O-N 3.4Å; H181-Y183 VanDerWaalsContact C-N 3.32Å; Y183-I185 VanDerWaalsContact C-N 3.34Å; Y183-I185 PolarHBondContact O-N 3.05Å; Y183-I185 VanDerWaalsContact O-N 3.09Å
184	D	76	Confident	77.7	Confident	70 Å²	70	61 Å²	61	37%	0.374	32%	0.323	S	S	.	.			trans	-82.8	76.7	174.7	-172.3	20.2	0	0	0	110.6	A121 K123 K186	A121-D184 PolarHBondContact O-N 2.91Å; K123-D184 HydrophobicContact CG-CB 4.14Å; D184-K186 PolarHBondContact O-N 3.49Å
185	I	76.9	Confident	78	Confident	52 Å²	52	59.9 Å²	59.9	27%	0.267	32%	0.316	S	S	.	.			trans	-91.1	101.9	-177	-51.3	176.6	0	0	0	110	L180 Y183 L191	L180-I185 HydrophobicContact CB-CD1 4.37Å; L180-I185 HydrophobicContact CD2-CD1 3.63Å; Y183-I185 VanDerWaalsContact C-N 3.34Å; Y183-I185 PolarHBondContact O-N 3.05Å; Y183-I185 VanDerWaalsContact O-N 3.09Å; I185-L191 HydrophobicContact CB-CD1 4.49Å; I185-L191 HydrophobicContact CD1-CD2 4.34Å; I185-L191 HydrophobicContact CG1-CD1 4.01Å; I185-L191 HydrophobicContact CG1-CD2 4.27Å; I185-L191 HydrophobicContact CG2-CD1 4.45Å
186	K	69.9	Low	78.4	Confident	172 Å²	172	60.9 Å²	60.9	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	-79	-38.1	171.7	-63.9	-179.4	-176.4	174.2	0	112.8	D184	D184-K186 PolarHBondContact O-N 3.49Å
187	S	72.3	Confident	78.9	Confident	50 Å²	50	59.4 Å²	59.4	35%	0.35	31%	0.313	S	S	.	.			trans	-155.1	139.8	175.9	173.6	0	0	0	0	110.4	A189 T190 L191	S187-A189 PolarHBondContact O-N 2.93Å; S187-A189 PolarHBondContact OG-N 3.22Å; S187-T190 PolarHBondContact O-N 3.38Å; S187-T190 PolarHBondContact O-OG1 2.77Å; S187-L191 PolarHBondContact O-N 2.83Å
188	T	71.3	Confident	79.4	Confident	77 Å²	77	54.3 Å²	54.3	47%	0.472	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.1	177.3	51.8	0	0	0	0	112.5	W106	W106-T188 HydrophobicContact CD2-CG2 4.28Å; W106-T188 HydrophobicContact CH2-CG2 4.28Å; W106-T188 HydrophobicContact CZ2-CG2 4.02Å; W106-T188 WeakPolarHBondContact CZ3-O 3.31Å
189	A	68.3	Low	79.9	Confident	68 Å²	68	49.4 Å²	49.4	56%	0.562	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-23	179	0	0	0	0	0	113.4	S187	S187-A189 PolarHBondContact O-N 2.93Å; S187-A189 PolarHBondContact OG-N 3.22Å
190	T	74.4	Confident	80.2	Confident	100 Å²	100	46.4 Å²	46.4	61%	0.613	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	0.9	-174.8	63	0	0	0	0	113.5	S187	S187-T190 PolarHBondContact O-N 3.38Å; S187-T190 PolarHBondContact O-OG1 2.77Å
191	L	80.3	Confident	80.8	Confident	34 Å²	34	43 Å²	43	18%	0.178	24%	0.236	C	C	.	.	S	Bend	trans	-66.5	-43.2	-178.9	-172.1	72.6	0	0	0	111.7	W106 V120 F175 I185 S187	W106-L191 HydrophobicContact CH2-CB 4.28Å; W106-L191 HydrophobicContact CH2-CD2 3.64Å; W106-L191 HydrophobicContact CZ3-CB 4.42Å; W106-L191 HydrophobicContact CZ3-CD2 4.45Å; V120-L191 HydrophobicContact CG1-CD1 3.81Å; V120-L191 HydrophobicContact CG1-CD2 4.28Å; V120-L191 HydrophobicContact CG1-CG 4.16Å; F175-L191 HydrophobicContact CE2-CD2 4.18Å; I185-L191 HydrophobicContact CB-CD1 4.49Å; I185-L191 HydrophobicContact CD1-CD2 4.34Å; I185-L191 HydrophobicContact CG1-CD1 4.01Å; I185-L191 HydrophobicContact CG1-CD2 4.27Å; I185-L191 HydrophobicContact CG2-CD1 4.45Å; S187-L191 PolarHBondContact O-N 2.83Å
192	F	82.3	Confident	81.3	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.039	22%	0.222	C	C	.	.	S	Bend	trans	-102.8	130.4	178.8	-64.1	-71.6	0	0	0	110	W106 L109 A113 I118 V120 F175 T196 R197	W106-F192 HydrophobicContact CH2-CD2 4.25Å; W106-F192 AromaticContact CH2-CE2 3.8Å; W106-F192 HydrophobicContact CH2-CE2 3.8Å; W106-F192 AromaticContact CZ3-CD2 3.76Å; W106-F192 HydrophobicContact CZ3-CD2 3.76Å; W106-F192 AromaticContact CZ3-CE2 3.72Å; W106-F192 HydrophobicContact CZ3-CE2 3.72Å; L109-F192 HydrophobicContact CD2-CB 4.33Å; L109-F192 HydrophobicContact CD2-CD2 3.44Å; L109-F192 VanDerWaalsContact CD2-CD2 3.44Å; L109-F192 HydrophobicContact CD2-CE2 4.09Å; L109-F192 HydrophobicContact CD2-CG 4.2Å; L109-F192 HydrophobicContact CG-CD2 3.79Å; L109-F192 HydrophobicContact CG-CE2 4.09Å; L109-F192 HydrophobicContact CG-CG 4.47Å; A113-F192 HydrophobicContact CB-CE1 3.78Å; A113-F192 HydrophobicContact CB-CE2 4.4Å; A113-F192 HydrophobicContact CB-CZ 3.53Å; I118-F192 HydrophobicContact CG2-CE1 4.27Å; V120-F192 HydrophobicContact CG2-CE1 3.96Å; V120-F192 HydrophobicContact CG2-CZ 4.48Å; F175-F192 HydrophobicContact CD1-CZ 4.46Å; F175-F192 HydrophobicContact CD2-CZ 4.38Å; F175-F192 HydrophobicContact CE2-CZ 4.41Å; F175-F192 HydrophobicContact CG-CZ 4.4Å; F175-F192 HydrophobicContact CZ-CZ 4.46Å; F192-T196 HydrophobicContact CD1-CG2 4.27Å; F192-R197 HydrophobicContact CB-CG 4.05Å
193	D	82.9	Confident	81.5	Confident	56 Å²	56	41 Å²	41	30%	0.299	23%	0.23	S	C	.	.			trans	-64.7	156.1	176.2	-68.3	-35	0	0	0	111.4	A195 T196 R197 K276	D193-A195 PolarHBondContact O-N 3.45Å; D193-T196 WeakPolarHBondContact O-CB 3.48Å; D193-T196 PolarHBondContact O-N 3.35Å; D193-R197 WeakPolarHBondContact O-CG 3.08Å; D193-R197 PolarHBondContact O-N 3.1Å; D193-K276 HydrophobicContact CB-CG 4.5Å; D193-K276 WeakPolarHBondContact OD1-CE 3.37Å; D193-K276 IonicContact OD1-NZ 2.68Å; D193-K276 WeakPolarHBondContact OD2-CE 3.21Å
194	N	85.4	Confident	81.7	Confident	29 Å²	29	41.4 Å²	41.4	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-38.1	-178.3	-58.4	-21	0	0	0	111.6	K5 T196 R197 S198 D237	K5-N194 PolarHBondContact NZ-ND2 2.95Å; K5-N194 PolarHBondContact NZ-OD1 3.44Å; N194-T196 PolarHBondContact O-N 3.42Å; N194-R197 PolarHBondContact O-N 3.04Å; N194-S198 WeakPolarHBondContact O-CB 3.45Å; N194-S198 PolarHBondContact O-N 3Å; N194-S198 PolarHBondContact O-OG 3.44Å; N194-D237 PolarHBondContact ND2-OD1 3.22Å; N194-D237 PolarHBondContact ND2-OD2 2.93Å
195	A	86	Confident	82.3	Confident	7 Å²	7	38.2 Å²	38.2	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-44.2	175.3	0	0	0	0	0	111.7	D193 R199 K276 A714	D193-A195 PolarHBondContact O-N 3.45Å; A195-R199 WeakPolarHBondContact O-CB 3.43Å; A195-R199 PolarHBondContact O-N 3.25Å; A195-K276 VanDerWaalsContact CB-O 3.28Å; A195-K276 WeakPolarHBondContact CB-O 3.42Å; A195-A714 HydrophobicContact CB-CB 3.91Å
196	T	87	Confident	82.4	Confident	23 Å²	23	37.5 Å²	37.5	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-40.7	177.4	-49.2	0	0	0	0	111.9	I118 F192 D193 N194 R199 I200	I118-T196 HydrophobicContact CD1-CG2 3.67Å; I118-T196 HydrophobicContact CG2-CG2 4.46Å; F192-T196 HydrophobicContact CD1-CG2 4.27Å; D193-T196 WeakPolarHBondContact O-CB 3.48Å; D193-T196 PolarHBondContact O-N 3.35Å; N194-T196 PolarHBondContact O-N 3.42Å; T196-R199 PolarHBondContact O-N 3.21Å; T196-I200 HydrophobicContact CG2-CD1 4.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.46Å; T196-I200 PolarHBondContact O-N 2.92Å
197	R	89.5	Confident	82.8	Confident	18 Å²	18	34.8 Å²	34.8	7%	0.068	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-49.2	176	-68.2	175.3	62.5	88.1	11	111.5	D7 I104 L109 F192 D193 N194 R199 I200 V201	D7-R197 VanDerWaalsContact CG-NH2 3.29Å; D7-R197 IonicContact OD1-CZ 2.94Å; D7-R197 VanDerWaalsContact OD1-CZ 3.3Å; D7-R197 IonicContact OD1-NE 3.6Å; D7-R197 PolarHBondContact OD1-NE 3.42Å; D7-R197 IonicContact OD1-NH2 3.89Å; D7-R197 PolarHBondContact OD1-NH2 2.68Å; D7-R197 IonicContact OD2-CZ 3.51Å; D7-R197 IonicContact OD2-NE 2.81Å; D7-R197 IonicContact OD2-NH2 2.77Å; D7-R197 PolarHBondContact OD2-NH2 2.67Å; I104-R197 PolarHBondContact O-NH2 3.38Å; L109-R197 HydrophobicContact CD1-CG 4.14Å; L109-R197 HydrophobicContact CD2-CG 4.35Å; F192-R197 HydrophobicContact CB-CG 4.05Å; D193-R197 WeakPolarHBondContact O-CG 3.08Å; D193-R197 PolarHBondContact O-N 3.1Å; N194-R197 PolarHBondContact O-N 3.04Å; R197-R199 VanDerWaalsContact C-N 3.31Å; R197-R199 PolarHBondContact O-N 3.34Å; R197-I200 PolarHBondContact O-N 2.9Å; R197-V201 WeakPolarHBondContact O-CG2 3.19Å; R197-V201 PolarHBondContact O-N 3.27Å; R197-V201 VanDerWaalsContact O-N 3.1Å
198	S	89.8	Confident	83.3	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-37.6	177.9	-65.3	0	0	0	0	112	D7 N194 V201 A202	D7-S198 PolarHBondContact O-OG 3.01Å; N194-S198 WeakPolarHBondContact O-CB 3.45Å; N194-S198 PolarHBondContact O-N 3Å; N194-S198 PolarHBondContact O-OG 3.44Å; S198-V201 PolarHBondContact O-N 3.03Å; S198-A202 WeakPolarHBondContact O-CB 3.43Å; S198-A202 PolarHBondContact O-N 3.28Å
199	R	88.3	Confident	83.4	Confident	26 Å²	26	33.1 Å²	33.1	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-48.7	174.4	-174.8	-176.8	76.2	-154.8	3.8	112.7	A195 T196 R197 V201 A202 E203 A714 R716	A195-R199 WeakPolarHBondContact O-CB 3.43Å; A195-R199 PolarHBondContact O-N 3.25Å; T196-R199 PolarHBondContact O-N 3.21Å; R197-R199 VanDerWaalsContact C-N 3.31Å; R197-R199 PolarHBondContact O-N 3.34Å; R199-V201 PolarHBondContact O-N 2.81Å; R199-A202 PolarHBondContact O-N 2.99Å; R199-E203 PolarHBondContact O-N 2.66Å; R199-A714 HydrophobicContact CB-CB 4.48Å; R199-A714 WeakPolarHBondContact CD-O 3.3Å; R199-A714 VanDerWaalsContact CG-O 3.32Å; R199-A714 WeakPolarHBondContact CG-O 3.19Å; R199-R716 VanDerWaalsContact NH1-CD 3.28Å; R199-R716 VanDerWaalsContact NH1-CG 3.29Å
200	I	88.9	Confident	83.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-41.1	177.9	-69.2	165.8	0	0	0	110	I104 L109 E112 I118 T196 R197 E203 I204	I104-I200 HydrophobicContact CD1-CB 4.42Å; I104-I200 HydrophobicContact CD1-CG2 3.51Å; L109-I200 HydrophobicContact CD1-CD1 3.52Å; E112-I200 HydrophobicContact CB-CG2 3.5Å; E112-I200 VanDerWaalsContact CB-CG2 3.5Å; E112-I200 HydrophobicContact CG-CG2 3.89Å; I118-I200 HydrophobicContact CD1-CD1 3.83Å; I118-I200 HydrophobicContact CD1-CG1 4.32Å; T196-I200 HydrophobicContact CG2-CD1 4.23Å; T196-I200 WeakPolarHBondContact O-CG1 3.46Å; T196-I200 PolarHBondContact O-N 2.92Å; R197-I200 PolarHBondContact O-N 2.9Å; I200-E203 PolarHBondContact O-N 3.35Å; I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.44Å; I200-I204 PolarHBondContact O-N 3.28Å
201	V	90.1	Very high	82.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-44.4	176.8	175.1	0	0	0	0	111.5	D7 Y8 L81 L102 I104 R197 S198 R199 E203 I204 I205	D7-V201 HydrophobicContact CB-CG2 4.11Å; Y8-V201 HydrophobicContact CD2-CB 4.44Å; Y8-V201 HydrophobicContact CD2-CG1 4.13Å; Y8-V201 HydrophobicContact CG-CG1 3.91Å; L81-V201 HydrophobicContact CD2-CG2 4.31Å; L102-V201 HydrophobicContact CD1-CG1 4.41Å; I104-V201 HydrophobicContact CB-CG2 3.82Å; I104-V201 HydrophobicContact CD1-CG2 4.24Å; I104-V201 HydrophobicContact CG2-CG2 3.97Å; R197-V201 WeakPolarHBondContact O-CG2 3.19Å; R197-V201 PolarHBondContact O-N 3.27Å; R197-V201 VanDerWaalsContact O-N 3.1Å; S198-V201 PolarHBondContact O-N 3.03Å; R199-V201 PolarHBondContact O-N 2.81Å; V201-E203 VanDerWaalsContact C-N 3.27Å; V201-E203 PolarHBondContact O-N 2.69Å; V201-I204 PolarHBondContact O-N 2.87Å; V201-I205 HydrophobicContact CG1-CD1 3.5Å; V201-I205 VanDerWaalsContact CG1-CD1 3.5Å; V201-I205 HydrophobicContact CG1-CG1 4.19Å; V201-I205 WeakPolarHBondContact O-CB 3.29Å; V201-I205 WeakPolarHBondContact O-CD1 3.39Å; V201-I205 WeakPolarHBondContact O-CG1 3.39Å; V201-I205 PolarHBondContact O-N 2.66Å
202	A	87.5	Confident	81.7	Confident	22 Å²	22	39.7 Å²	39.7	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-40.5	176	0	0	0	0	0	112	Y8 S198 R199 I205 S206	Y8-A202 HydrophobicContact CE2-CB 4.03Å; S198-A202 WeakPolarHBondContact O-CB 3.43Å; S198-A202 PolarHBondContact O-N 3.28Å; R199-A202 PolarHBondContact O-N 2.99Å; A202-I205 PolarHBondContact O-N 3.41Å; A202-S206 PolarHBondContact O-N 2.91Å; A202-S206 PolarHBondContact O-OG 3.43Å
203	E	82.7	Confident	80.2	Confident	39 Å²	39	42.3 Å²	42.3	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-35.4	177.9	-168.7	175.5	147.1	0	0	113.2	Q116 R199 I200 V201 I205 S206 R207	Q116-E203 PolarHBondContact NE2-OE1 3.37Å; Q116-E203 PolarHBondContact NE2-OE2 3.16Å; R199-E203 PolarHBondContact O-N 2.66Å; I200-E203 PolarHBondContact O-N 3.35Å; V201-E203 VanDerWaalsContact C-N 3.27Å; V201-E203 PolarHBondContact O-N 2.69Å; E203-I205 VanDerWaalsContact C-N 3.35Å; E203-S206 WeakPolarHBondContact CA-OG 3.42Å; E203-S206 PolarHBondContact O-OG 3.32Å; E203-R207 WeakPolarHBondContact O-CB 3.5Å; E203-R207 VanDerWaalsContact O-CG 3.28Å; E203-R207 WeakPolarHBondContact O-CG 3.33Å; E203-R207 PolarHBondContact O-N 2.88Å; E203-R207 VanDerWaalsContact O-N 3.14Å; E203-R207 IonicContact OE1-CZ 2.64Å; E203-R207 IonicContact OE1-NH1 2.74Å; E203-R207 PolarHBondContact OE1-NH1 3.39Å; E203-R207 IonicContact OE1-NH2 3.78Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å
204	I	86.4	Confident	78.7	Confident	12 Å²	12	42 Å²	42	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-44.8	172.3	-66.2	163.3	0	0	0	109.9	A79 L81 I104 I108 E112 I200 V201 S206 R207 T208	A79-I204 HydrophobicContact CB-CG2 3.88Å; L81-I204 HydrophobicContact CD1-CB 4.29Å; L81-I204 HydrophobicContact CD1-CG2 3.63Å; L81-I204 HydrophobicContact CD2-CD1 4.11Å; L81-I204 HydrophobicContact CG-CD1 4.47Å; L81-I204 HydrophobicContact CG-CG2 4.22Å; I104-I204 HydrophobicContact CD1-CD1 3.89Å; I108-I204 HydrophobicContact CG2-CD1 4.01Å; E112-I204 HydrophobicContact CG-CD1 4.14Å; E112-I204 HydrophobicContact CG-CG1 4.32Å; I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.44Å; I200-I204 PolarHBondContact O-N 3.28Å; V201-I204 PolarHBondContact O-N 2.87Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 3.04Å; I204-R207 PolarHBondContact O-N 3.01Å; I204-T208 HydrophobicContact CG2-CG2 4.23Å; I204-T208 WeakPolarHBondContact O-CG2 3.32Å; I204-T208 PolarHBondContact O-N 3.18Å; I204-T208 PolarHBondContact O-OG1 3.4Å
205	I	87.4	Confident	77	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-66.7	-35	-178.6	-68.7	169.6	0	0	0	111.5	Y8 F72 L76 L102 V201 A202 E203 T208 I220	Y8-I205 HydrophobicContact CD1-CD1 3.79Å; Y8-I205 HydrophobicContact CE1-CD1 4.15Å; Y8-I205 HydrophobicContact CG-CD1 4.16Å; F72-I205 HydrophobicContact CE1-CG2 4.43Å; F72-I205 HydrophobicContact CZ-CG2 3.94Å; L76-I205 HydrophobicContact CD2-CG1 3.87Å; L102-I205 HydrophobicContact CD1-CD1 3.43Å; L102-I205 VanDerWaalsContact CD1-CD1 3.43Å; L102-I205 HydrophobicContact CD1-CG1 4.18Å; V201-I205 HydrophobicContact CG1-CD1 3.5Å; V201-I205 VanDerWaalsContact CG1-CD1 3.5Å; V201-I205 HydrophobicContact CG1-CG1 4.19Å; V201-I205 WeakPolarHBondContact O-CB 3.29Å; V201-I205 WeakPolarHBondContact O-CD1 3.39Å; V201-I205 WeakPolarHBondContact O-CG1 3.39Å; V201-I205 PolarHBondContact O-N 2.66Å; A202-I205 PolarHBondContact O-N 3.41Å; E203-I205 VanDerWaalsContact C-N 3.35Å; I205-T208 PolarHBondContact O-OG1 2.96Å; I205-I220 HydrophobicContact CG2-CB 3.5Å; I205-I220 VanDerWaalsContact CG2-CB 3.5Å; I205-I220 HydrophobicContact CG2-CD1 3.35Å; I205-I220 HydrophobicContact CG2-CG1 3.99Å; I205-I220 HydrophobicContact CG2-CG2 3.55Å; I205-I220 PolarHBondContact O-N 3.31Å
206	S	80.5	Confident	75.3	Confident	38 Å²	38	51 Å²	51	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-71	-34.6	175	67.4	0	0	0	0	112.2	A202 E203 I204 G219	A202-S206 PolarHBondContact O-N 2.91Å; A202-S206 PolarHBondContact O-OG 3.43Å; E203-S206 WeakPolarHBondContact CA-OG 3.42Å; E203-S206 PolarHBondContact O-OG 3.32Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 3.04Å; S206-G219 WeakPolarHBondContact O-CA 3.39Å
207	R	78.5	Confident	73.7	Confident	114 Å²	114	50.2 Å²	50.2	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-79.9	-25.6	179.6	-73.4	177.7	175.9	155.4	9.2	114.8	E203 I204 T209 E407	E203-R207 WeakPolarHBondContact O-CB 3.5Å; E203-R207 VanDerWaalsContact O-CG 3.28Å; E203-R207 WeakPolarHBondContact O-CG 3.33Å; E203-R207 PolarHBondContact O-N 2.88Å; E203-R207 VanDerWaalsContact O-N 3.14Å; E203-R207 IonicContact OE1-CZ 2.64Å; E203-R207 IonicContact OE1-NH1 2.74Å; E203-R207 PolarHBondContact OE1-NH1 3.39Å; E203-R207 IonicContact OE1-NH2 3.78Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å; I204-R207 PolarHBondContact O-N 3.01Å; R207-T209 PolarHBondContact O-N 2.95Å; R207-E407 IonicContact NE-OE1 3.96Å
208	T	81.2	Confident	72.3	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.117	27%	0.273	C	S	.	.			trans	-66.2	121.8	-178.7	45.3	0	0	0	0	111.4	F72 L76 A79 I204 I205 G219	F72-T208 WeakPolarHBondContact CE2-OG1 3.48Å; F72-T208 WeakPolarHBondContact CZ-OG1 3.48Å; L76-T208 HydrophobicContact CD2-CG2 4Å; A79-T208 HydrophobicContact CB-CG2 4.2Å; I204-T208 HydrophobicContact CG2-CG2 4.23Å; I204-T208 WeakPolarHBondContact O-CG2 3.32Å; I204-T208 PolarHBondContact O-N 3.18Å; I204-T208 PolarHBondContact O-OG1 3.4Å; I205-T208 PolarHBondContact O-OG1 2.96Å; T208-G219 PolarHBondContact O-N 3.37Å
209	T	73.9	Confident	71.4	Confident	74 Å²	74	53.5 Å²	53.5	45%	0.454	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.7	-177.3	60.4	0	0	0	0	112.1	R207 E218	R207-T209 PolarHBondContact O-N 2.95Å; T209-E218 HydrophobicContact CG2-CG 4.21Å
210	C	68.3	Low	70.9	Confident	5 Å²	5	53 Å²	53	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.2	167	-64.9	0	0	0	0	109.8	E71	E71-C210 HydrophobicContact CG-CB 4.36Å
211	T	62.8	Low	70.4	Confident	111 Å²	111	56.2 Å²	56.2	68%	0.681	30%	0.295	S	S	*	.			trans	-113.2	-23	-169.7	55.5	0	0	0	0	114.6	E71	E71-T211 PolarHBondContact OE1-N 3.5Å
212	R	56.9	Low	69.7	Low	224 Å²	224	56.4 Å²	56.4	85%	0.845	30%	0.296	S	S	*	.	S	Bend	trans	-94.5	-30.2	-168.7	-70.6	-178.5	67.1	144.4	-1.7	114.7	E71	E71-R212 WeakPolarHBondContact OE1-CB 3.34Å; E71-R212 PolarHBondContact OE1-N 3.29Å
213	T	51	Low	69.4	Low	64 Å²	64	55.4 Å²	55.4	39%	0.393	29%	0.288	S	S	.	.	S	Bend	trans	-109.2	-7.7	-174.9	35.2	0	0	0	0	117.2	L67 E71	L67-T213 HydrophobicContact CD1-CG2 4.49Å; L67-T213 HydrophobicContact CD2-CG2 3.36Å; E71-T213 PolarHBondContact OE2-N 2.93Å; E71-T213 PolarHBondContact OE2-OG1 3.29Å
214	C	50.1	Low	69.5	Low	49 Å²	49	56.3 Å²	56.3	33%	0.331	29%	0.294	S	S	.	.	S	Bend	trans	-148.8	153.3	173.9	-90.5	0	0	0	0	112	T216 T217	C214-T216 PolarHBondContact O-N 3.02Å; C214-T217 HydrophobicContact CB-CG2 4.22Å
215	Q	50.5	Low	69	Low	153 Å²	153	59.8 Å²	59.8	72%	0.715	32%	0.324	S	S	*	.	S	Bend	trans	-58.7	103.3	164.4	-69.7	172.7	1.4	0	0	107.9	T217 Q417	Q215-T217 PolarHBondContact O-N 3.03Å; Q215-Q417 PolarHBondContact O-OE1 3.11Å
216	T	50.5	Low	68.5	Low	72 Å²	72	62.3 Å²	62.3	44%	0.442	33%	0.334	S	S	.	.			trans	33.5	75	171.5	68.1	0	0	0	0	116.1	C214 E218 Q417	C214-T216 PolarHBondContact O-N 3.02Å; T216-E218 PolarHBondContact O-N 2.99Å; T216-Q417 VanDerWaalsContact OG1-CD 3.31Å; T216-Q417 PolarHBondContact OG1-NE2 3.02Å
217	T	53.1	Low	68.5	Low	6 Å²	6	62.2 Å²	62.2	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.8	156.7	47.1	0	0	0	0	108.1	C214 Q215	C214-T217 HydrophobicContact CB-CG2 4.22Å; Q215-T217 PolarHBondContact O-N 3.03Å
218	E	59.8	Low	68.8	Low	89 Å²	89	56.9 Å²	56.9	42%	0.416	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.8	175.1	-67.3	177.5	-178.5	0	0	109.3	T209 T216	T209-E218 HydrophobicContact CG2-CG 4.21Å; T216-E218 PolarHBondContact O-N 2.99Å
219	G	70	Confident	69.1	Low	5 Å²	5	56 Å²	56	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	77.2	172.5	166.9	0	0	0	0	0	118.1	S206 T208 S221	S206-G219 WeakPolarHBondContact O-CA 3.39Å; T208-G219 PolarHBondContact O-N 3.37Å; G219-S221 VanDerWaalsContact C-N 3.35Å; G219-S221 PolarHBondContact O-N 3.23Å
220	I	79.7	Confident	69.6	Low	15 Å²	15	56.6 Å²	56.6	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-67	-29.6	180	-170.9	161.6	0	0	0	114.1	L10 F72 I205 S222 L223 L224 A232	L10-I220 HydrophobicContact CD2-CD1 3.45Å; L10-I220 VanDerWaalsContact CD2-CD1 3.45Å; F72-I220 HydrophobicContact CZ-CB 4.15Å; I205-I220 HydrophobicContact CG2-CB 3.5Å; I205-I220 VanDerWaalsContact CG2-CB 3.5Å; I205-I220 HydrophobicContact CG2-CD1 3.35Å; I205-I220 HydrophobicContact CG2-CG1 3.99Å; I205-I220 HydrophobicContact CG2-CG2 3.55Å; I205-I220 PolarHBondContact O-N 3.31Å; I220-S222 VanDerWaalsContact C-N 3.27Å; I220-S222 PolarHBondContact O-N 3.1Å; I220-L223 CarbonylContact O-C 3.6Å; I220-L223 WeakPolarHBondContact O-CA 3.48Å; I220-L223 WeakPolarHBondContact O-CB 3.39Å; I220-L223 PolarHBondContact O-N 3.13Å; I220-L224 HydrophobicContact CG1-CD1 4.15Å; I220-L224 HydrophobicContact CG1-CG 4.15Å; I220-L224 PolarHBondContact O-N 2.92Å; I220-A232 HydrophobicContact CD1-CB 3.47Å; I220-A232 VanDerWaalsContact CD1-CB 3.47Å; I220-A232 HydrophobicContact CG1-CB 4.47Å
221	S	76.9	Confident	70.4	Confident	67 Å²	67	57.1 Å²	57.1	47%	0.469	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-36.3	-176.8	-52.2	0	0	0	0	111.6	G219 L224 A225	G219-S221 VanDerWaalsContact C-N 3.35Å; G219-S221 PolarHBondContact O-N 3.23Å; S221-L224 PolarHBondContact O-N 2.85Å; S221-A225 WeakPolarHBondContact O-CB 3.41Å; S221-A225 PolarHBondContact O-N 3.1Å
222	S	76.8	Confident	71.6	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-38.9	172.3	-175.5	0	0	0	0	112.2	I220 A225 R226	I220-S222 VanDerWaalsContact C-N 3.27Å; I220-S222 PolarHBondContact O-N 3.1Å; S222-A225 PolarHBondContact O-N 3.3Å; S222-R226 WeakPolarHBondContact O-CB 3.46Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.15Å; S222-R226 PolarHBondContact O-N 3.27Å
223	L	80.7	Confident	73.2	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-69.7	-32.4	177.8	-65.1	175.6	0	0	0	112.8	F72 I220 G227 V228 Y229	F72-L223 HydrophobicContact CB-CD1 4.05Å; F72-L223 HydrophobicContact CD1-CD1 4.02Å; F72-L223 HydrophobicContact CD2-CD1 3.5Å; F72-L223 VanDerWaalsContact CD2-CD1 3.5Å; F72-L223 HydrophobicContact CE1-CD1 4.34Å; F72-L223 HydrophobicContact CE2-CD1 3.85Å; F72-L223 HydrophobicContact CG-CD1 3.58Å; F72-L223 HydrophobicContact CZ-CD1 4.26Å; I220-L223 CarbonylContact O-C 3.6Å; I220-L223 WeakPolarHBondContact O-CA 3.48Å; I220-L223 WeakPolarHBondContact O-CB 3.39Å; I220-L223 PolarHBondContact O-N 3.13Å; L223-G227 PolarHBondContact O-N 3.42Å; L223-V228 HydrophobicContact CB-CB 4.3Å; L223-V228 HydrophobicContact CD2-CB 4.29Å; L223-V228 HydrophobicContact CD2-CG1 4.4Å; L223-V228 HydrophobicContact CD2-CG2 4.15Å; L223-V228 WeakPolarHBondContact O-CB 3.37Å; L223-V228 PolarHBondContact O-N 3.06Å; L223-Y229 HydrophobicContact CB-CD2 4.11Å; L223-Y229 HydrophobicContact CD1-CD2 4.34Å; L223-Y229 HydrophobicContact CD1-CE2 4.14Å; L223-Y229 PolarHBondContact O-N 2.86Å
224	L	83.7	Confident	75.1	Confident	57 Å²	57	39.6 Å²	39.6	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-69	-46.8	171.5	-71.2	169.2	0	0	0	110.9	I220 S221 R226 G227 A232	I220-L224 HydrophobicContact CG1-CD1 4.15Å; I220-L224 HydrophobicContact CG1-CG 4.15Å; I220-L224 PolarHBondContact O-N 2.92Å; S221-L224 PolarHBondContact O-N 2.85Å; L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 2.88Å; L224-G227 PolarHBondContact O-N 2.68Å; L224-A232 HydrophobicContact CD1-CB 4.37Å
225	A	76.4	Confident	76.9	Confident	86 Å²	86	38.4 Å²	38.4	71%	0.711	23%	0.226	S	C	*	.	H	α-helix	trans	-61.2	-35.2	178	0	0	0	0	0	112.9	S221 S222 G227	S221-A225 WeakPolarHBondContact O-CB 3.41Å; S221-A225 PolarHBondContact O-N 3.1Å; S222-A225 PolarHBondContact O-N 3.3Å; A225-G227 VanDerWaalsContact C-N 3.26Å; A225-G227 PolarHBondContact O-N 2.88Å
226	R	77.7	Confident	78.7	Confident	55 Å²	55	31.3 Å²	31.3	21%	0.208	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-1	175.5	-67.8	176.4	-178.9	-158.9	2.9	113.9	L60 S222 L224 V228 E414	L60-R226 HydrophobicContact CD1-CB 4.15Å; S222-R226 WeakPolarHBondContact O-CB 3.46Å; S222-R226 VanDerWaalsContact O-CG 3.31Å; S222-R226 WeakPolarHBondContact O-CG 3.15Å; S222-R226 PolarHBondContact O-N 3.27Å; L224-R226 VanDerWaalsContact C-N 3.29Å; L224-R226 PolarHBondContact O-N 2.88Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 HydrophobicContact CB-CG2 4.26Å; R226-V228 PolarHBondContact O-N 2.85Å; R226-E414 IonicContact CZ-OE1 2.7Å; R226-E414 IonicContact NE-OE1 2.66Å; R226-E414 IonicContact NH2-OE1 2.53Å; R226-E414 PolarHBondContact NH2-OE1 2.85Å
227	G	80.4	Confident	80.1	Confident	35 Å²	35	30 Å²	30	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	33.1	-179.2	0	0	0	0	0	113.8	K65 L223 L224 A225	K65-G227 PolarHBondContact NZ-O 3.43Å; K65-G227 VanDerWaalsContact NZ-O 3.13Å; L223-G227 PolarHBondContact O-N 3.42Å; L224-G227 PolarHBondContact O-N 2.68Å; A225-G227 VanDerWaalsContact C-N 3.26Å; A225-G227 PolarHBondContact O-N 2.88Å
228	V	84.8	Confident	81.3	Confident	3 Å²	3	30 Å²	30	2%	0.018	18%	0.184	C	C	.	.	S	Bend	trans	-79	-43.5	171.2	177.6	0	0	0	0	109.9	K65 M68 R69 L223 R226	K65-V228 HydrophobicContact CG-CG2 4.38Å; M68-V228 HydrophobicContact CB-CG1 4.43Å; M68-V228 HydrophobicContact CE-CG2 3.67Å; M68-V228 HydrophobicContact SD-CG2 4.26Å; R69-V228 HydrophobicContact CG-CG1 3.43Å; R69-V228 VanDerWaalsContact CG-CG1 3.43Å; R69-V228 PolarHBondContact NH1-O 3.25Å; L223-V228 HydrophobicContact CB-CB 4.3Å; L223-V228 HydrophobicContact CD2-CB 4.29Å; L223-V228 HydrophobicContact CD2-CG1 4.4Å; L223-V228 HydrophobicContact CD2-CG2 4.15Å; L223-V228 WeakPolarHBondContact O-CB 3.37Å; L223-V228 PolarHBondContact O-N 3.06Å; R226-V228 VanDerWaalsContact C-N 3.31Å; R226-V228 HydrophobicContact CB-CG2 4.26Å; R226-V228 PolarHBondContact O-N 2.85Å
229	Y	86.6	Confident	82.1	Confident	1 Å²	1	28.6 Å²	28.6	0%	0.004	18%	0.182	C	C	.	.	S	Bend	trans	-109.2	149.8	165.3	-69.9	-71.2	0	0	0	109.2	L10 Y12 R69 F72 I100 L223	L10-Y229 HydrophobicContact CB-CD1 4.02Å; L10-Y229 HydrophobicContact CB-CE1 3.92Å; L10-Y229 HydrophobicContact CD1-CE1 4.17Å; Y12-Y229 HydrophobicContact CD1-CD1 4.45Å; Y12-Y229 HydrophobicContact CD1-CE1 4.19Å; R69-Y229 HydrophobicContact CG-CE1 4.23Å; R69-Y229 HydrophobicContact CG-CE2 4.29Å; F72-Y229 AromaticContact CD1-CE2 3.76Å; F72-Y229 HydrophobicContact CD1-CE2 3.76Å; F72-Y229 HydrophobicContact CE1-CE2 4.18Å; I100-Y229 HydrophobicContact CD1-CE1 3.98Å; L223-Y229 HydrophobicContact CB-CD2 4.11Å; L223-Y229 HydrophobicContact CD1-CD2 4.34Å; L223-Y229 HydrophobicContact CD1-CE2 4.14Å; L223-Y229 PolarHBondContact O-N 2.86Å
230	I	84.6	Confident	82.1	Confident	86 Å²	86	32 Å²	32	44%	0.441	20%	0.196	S	C	.	.	S	Bend	trans	-85.5	-45.8	175.6	-60.1	170.1	0	0	0	110.1	C11 K13 F654	C11-I230 PolarHBondContact O-N 3.44Å; K13-I230 HydrophobicContact CB-CD1 4.02Å; I230-F654 HydrophobicContact CG2-CE2 4.48Å
231	S	84.8	Confident	81.4	Confident	15 Å²	15	34.9 Å²	34.9	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	153.9	-177.2	59.7	0	0	0	0	110.7	C11 F654 R710	C11-S231 PolarHBondContact N-O 3.22Å; S231-F654 WeakPolarHBondContact OG-CE2 3.5Å; S231-R710 PolarHBondContact OG-NH1 3.1Å
232	A	89.3	Confident	80.5	Confident	21 Å²	21	39.4 Å²	39.4	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.8	177.8	0	0	0	0	0	106.7	Y8 I9 L10 I220 L224	Y8-A232 HydrophobicContact CE1-CB 3.89Å; I9-A232 WeakPolarHBondContact O-CA 3.42Å; L10-A232 HydrophobicContact CD2-CB 3.63Å; I220-A232 HydrophobicContact CD1-CB 3.47Å; I220-A232 VanDerWaalsContact CD1-CB 3.47Å; I220-A232 HydrophobicContact CG1-CB 4.47Å; L224-A232 HydrophobicContact CD1-CB 4.37Å
233	F	90.5	Very high	79.3	Confident	9 Å²	9	50.3 Å²	50.3	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.1	-175.2	58.2	-85.7	0	0	0	113.1	I9 L235 D653 F654	I9-F233 HydrophobicContact CG2-CZ 4.38Å; I9-F233 PolarHBondContact N-O 3.5Å; I9-F233 PolarHBondContact O-N 3.45Å; F233-L235 HydrophobicContact CE2-CD2 4.48Å; F233-D653 HydrophobicContact CE2-CB 3.99Å; F233-F654 AromaticContact CE1-CD2 3.95Å; F233-F654 HydrophobicContact CE1-CD2 3.95Å; F233-F654 HydrophobicContact CZ-CB 4.02Å; F233-F654 HydrophobicContact CZ-CD2 4.22Å
234	P	91.1	Very high	78.1	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.013	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-79.5	155.3	171.6	32.3	-33.8	0	0	0	111.8	Y8 R711 D713	Y8-P234 HydrophobicContact CD2-CB 4.2Å; Y8-P234 HydrophobicContact CE2-CB 4.18Å; Y8-P234 HydrophobicContact CE2-CG 4.42Å; P234-R711 WeakPolarHBondContact CD-O 3.37Å; P234-R711 HydrophobicContact CG-CB 4.12Å; P234-R711 HydrophobicContact CG-CG 4.05Å; P234-R711 WeakPolarHBondContact CG-O 3.46Å; P234-D713 VanDerWaalsContact CD-OD1 3.31Å; P234-D713 WeakPolarHBondContact CD-OD1 3.45Å; P234-D713 WeakPolarHBondContact CG-OD1 3.34Å
235	L	87.8	Confident	76.7	Confident	23 Å²	23	60.7 Å²	60.7	12%	0.12	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-87.2	151.2	-178.6	-76.5	177	0	0	0	113.5	V6 I9 F233 F650 D653 R711	V6-L235 HydrophobicContact CB-CD1 3.83Å; V6-L235 HydrophobicContact CG1-CD1 3.63Å; I9-L235 HydrophobicContact CD1-CD1 3.82Å; I9-L235 HydrophobicContact CD1-CD2 3.5Å; I9-L235 HydrophobicContact CD1-CG 3.7Å; I9-L235 HydrophobicContact CG1-CD1 4.27Å; I9-L235 HydrophobicContact CG1-CD2 4.34Å; I9-L235 HydrophobicContact CG1-CG 4.09Å; F233-L235 HydrophobicContact CE2-CD2 4.48Å; L235-F650 HydrophobicContact CD2-CB 3.89Å; L235-D653 HydrophobicContact CD2-CB 4.45Å; L235-R711 WeakPolarHBondContact O-CD 3.35Å; L235-R711 PolarHBondContact O-NH1 3.38Å
236	H	88.2	Confident	75.7	Confident	5 Å²	5	63.5 Å²	63.5	2%	0.023	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-78	147.6	161.9	-71	-61.4	0	0	0	111.8	G238 R252 Y277 D653 R711	H236-G238 PolarHBondContact O-N 3.34Å; H236-G238 VanDerWaalsContact O-N 3.14Å; H236-R252 PolarHBondContact CD2-NH1 3.35Å; H236-R252 VanDerWaalsContact CD2-NH1 3.34Å; H236-Y277 AromaticContact ND1-CE1 3.93Å; H236-Y277 AromaticContact ND1-CZ 3.71Å; H236-Y277 PolarHBondContact ND1-OH 3.46Å; H236-D653 IonicContact CD2-OD1 3.86Å; H236-D653 IonicContact CD2-OD2 3.92Å; H236-D653 IonicContact CG-OD2 3.74Å; H236-D653 PolarHBondContact N-OD2 2.85Å; H236-R711 PolarHBondContact NE2-N 3.38Å
237	D	79.4	Confident	74.6	Confident	45 Å²	45	68.2 Å²	68.2	24%	0.241	34%	0.341	C	S	.	.	S	Bend	trans	-70.4	-9.4	-176.1	-67.7	-28.3	0	0	0	114.3	K5 N194 R711	K5-D237 IonicContact NZ-OD1 2.76Å; N194-D237 PolarHBondContact ND2-OD1 3.22Å; N194-D237 PolarHBondContact ND2-OD2 2.93Å; D237-R711 IonicContact OD1-NH1 3.66Å
238	G	78.8	Confident	73.7	Confident	5 Å²	5	74.5 Å²	74.5	5%	0.052	36%	0.361	C	S	.	.	S	Bend	trans	160.5	-169.1	175.3	0	0	0	0	0	114.2	H236 R252 Q649	H236-G238 PolarHBondContact O-N 3.34Å; H236-G238 VanDerWaalsContact O-N 3.14Å; G238-R252 WeakPolarHBondContact O-CD 3.33Å; G238-R252 PolarHBondContact O-NH1 2.76Å; G238-Q649 PolarHBondContact O-NE2 3.5Å
239	P	77	Confident	72.8	Confident	59 Å²	59	78.4 Å²	78.4	38%	0.383	38%	0.375	S	S	.	.			trans	-72.3	144.9	179.5	29.5	-33.8	0	0	0	111.7	Q253	P239-Q253 WeakPolarHBondContact O-CG 3.34Å; P239-Q253 PolarHBondContact O-NE2 3.18Å
240	F	68.3	Low	72.4	Confident	76 Å²	76	81 Å²	81	33%	0.333	39%	0.389	S	S	.	.	S	Bend	trans	-77.3	-19.5	177.6	65.7	-90.3	0	0	0	113.4	R252 T707	F240-R252 HydrophobicContact CB-CG 4.44Å; F240-T707 HydrophobicContact CD2-CG2 4.23Å; F240-T707 HydrophobicContact CG-CG2 4.33Å
241	T	65.6	Low	72.2	Confident	76 Å²	76	79 Å²	79	47%	0.466	38%	0.378	S	S	.	.	S	Bend	trans	-80.4	140.4	-178.2	51.7	0	0	0	0	112.6	R243 Q253	T241-R243 PolarHBondContact O-N 3.03Å; T241-R243 VanDerWaalsContact O-N 3.13Å; T241-Q253 PolarHBondContact O-NE2 2.94Å
242	R	59.3	Low	72.2	Confident	162 Å²	162	78.7 Å²	78.7	61%	0.611	37%	0.374	S	S	*	.			trans	-70.4	104.6	-176	-168.9	177.3	178.4	-178.5	-3.9	111.6	E257	R242-E257 WeakPolarHBondContact CD-OE1 3.22Å; R242-E257 IonicContact NE-OE1 2.66Å
243	R	51.3	Low	72	Confident	234 Å²	234	78.6 Å²	78.6	88%	0.883	37%	0.37	S	S	*	.			trans	-134.3	89.9	164.1	-83.5	-174.2	179.4	-175.6	-0.1	108.8	T241	T241-R243 PolarHBondContact O-N 3.03Å; T241-R243 VanDerWaalsContact O-N 3.13Å
244	G	55	Low	71.8	Confident	60 Å²	60	79.2 Å²	79.2	62%	0.619	37%	0.374	S	S	*	.	S	Bend	trans	161.3	170.8	176.7	0	0	0	0	0	115.9
245	R	54.3	Low	71.6	Confident	217 Å²	217	79.1 Å²	79.1	82%	0.819	37%	0.373	S	S	*	.			trans	-70.6	152.4	169.5	-92.3	-180	176.7	172.4	-1	110.7	D247 Q248	R245-D247 PolarHBondContact O-N 3.45Å; R245-D247 VanDerWaalsContact O-N 3.11Å; R245-Q248 PolarHBondContact O-N 2.86Å
246	K	55.1	Low	71.5	Confident	145 Å²	145	80.4 Å²	80.4	63%	0.63	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.1	-179	-74.4	-174.5	176.1	-175.8	0	114.1	Q248 R249	K246-Q248 PolarHBondContact O-N 3.11Å; K246-R249 WeakPolarHBondContact O-CD 3.28Å; K246-R249 WeakPolarHBondContact O-CG 3.49Å
247	D	54.9	Low	71.3	Confident	153 Å²	153	82 Å²	82	82%	0.818	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-83.3	-6.4	-173.8	-55.8	-34.4	0	0	0	114.7	R245	R245-D247 PolarHBondContact O-N 3.45Å; R245-D247 VanDerWaalsContact O-N 3.11Å
248	Q	60.9	Low	71.5	Confident	168 Å²	168	80.9 Å²	80.9	79%	0.785	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-123.1	47	177.3	-67.5	-178.7	7.3	0	0	111.2	R245 K246	R245-Q248 PolarHBondContact O-N 2.86Å; K246-Q248 PolarHBondContact O-N 3.11Å
249	R	66.7	Low	71.9	Confident	84 Å²	84	80.6 Å²	80.6	32%	0.317	38%	0.377	S	S	.	.			trans	-77.2	130.7	177.2	-78.9	170.9	168.1	178	-9.1	110.7	K246 E257	K246-R249 WeakPolarHBondContact O-CD 3.28Å; K246-R249 WeakPolarHBondContact O-CG 3.49Å; R249-E257 IonicContact CZ-OE2 3.97Å; R249-E257 IonicContact NE-OE2 3.55Å; R249-E257 PolarHBondContact NE-OE2 2.89Å; R249-E257 IonicContact NH2-OE2 3.17Å; R249-E257 PolarHBondContact NH2-OE2 2.99Å
250	N	77.9	Confident	72.2	Confident	55 Å²	55	78 Å²	78	29%	0.294	36%	0.36	S	S	.	.			trans	-72.5	149.6	167.2	-70.2	-18.5	0	0	0	110.2	R252 Q253 L254	N250-R252 PolarHBondContact O-N 2.85Å; N250-Q253 HydrophobicContact CB-CB 4.44Å; N250-Q253 HydrophobicContact CB-CG 4.12Å; N250-Q253 WeakPolarHBondContact O-CB 3.47Å; N250-Q253 PolarHBondContact O-N 2.83Å; N250-L254 PolarHBondContact O-N 2.89Å
251	E	80.3	Confident	73	Confident	46 Å²	46	77.7 Å²	77.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-57	-39.2	179.6	-62.9	-170.6	158.4	0	0	111.8	Q253 L254 L255 K276 Y277	E251-Q253 VanDerWaalsContact C-N 3.34Å; E251-Q253 PolarHBondContact O-N 3.36Å; E251-L254 PolarHBondContact O-N 3.4Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 2.92Å; E251-K276 IonicContact OE1-NZ 3.41Å; E251-K276 PolarHBondContact OE1-NZ 3.42Å; E251-Y277 HydrophobicContact CB-CD2 3.95Å; E251-Y277 HydrophobicContact CB-CE2 4.25Å
252	R	85.2	Confident	73.7	Confident	7 Å²	7	79.2 Å²	79.2	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-38.1	173.2	-166.7	-177.4	-176.8	172.1	6.6	113.4	H236 G238 F240 N250 H256 Y277 D653 V706	H236-R252 PolarHBondContact CD2-NH1 3.35Å; H236-R252 VanDerWaalsContact CD2-NH1 3.34Å; G238-R252 WeakPolarHBondContact O-CD 3.33Å; G238-R252 PolarHBondContact O-NH1 2.76Å; F240-R252 HydrophobicContact CB-CG 4.44Å; N250-R252 PolarHBondContact O-N 2.85Å; R252-H256 WeakPolarHBondContact O-CB 3.33Å; R252-H256 PolarHBondContact O-N 3.42Å; R252-Y277 HydrophobicContact CB-CE2 4.43Å; R252-Y277 WeakPolarHBondContact CB-OH 3.47Å; R252-D653 IonicContact NH1-OD1 3.61Å; R252-V706 HydrophobicContact CG-CG1 4.04Å; R252-V706 VanDerWaalsContact CZ-O 3.23Å; R252-V706 PolarHBondContact NE-O 3.49Å; R252-V706 PolarHBondContact NH2-O 3.44Å
253	Q	84.8	Confident	74.5	Confident	19 Å²	19	74 Å²	74	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-71.4	-39.8	179.2	-69.4	173.4	-4.6	0	0	110.9	P239 T241 N250 E251 H256 E257	P239-Q253 WeakPolarHBondContact O-CG 3.34Å; P239-Q253 PolarHBondContact O-NE2 3.18Å; T241-Q253 PolarHBondContact O-NE2 2.94Å; N250-Q253 HydrophobicContact CB-CB 4.44Å; N250-Q253 HydrophobicContact CB-CG 4.12Å; N250-Q253 WeakPolarHBondContact O-CB 3.47Å; N250-Q253 PolarHBondContact O-N 2.83Å; E251-Q253 VanDerWaalsContact C-N 3.34Å; E251-Q253 PolarHBondContact O-N 3.36Å; Q253-H256 PolarHBondContact O-N 3.24Å; Q253-E257 WeakPolarHBondContact O-CG 3.41Å; Q253-E257 PolarHBondContact O-N 2.9Å
254	L	85.8	Confident	75.9	Confident	22 Å²	22	63.6 Å²	63.6	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-45.8	175.5	-177.1	62.9	0	0	0	111.2	N250 E251 H256 E257 E258 L273	N250-L254 PolarHBondContact O-N 2.89Å; E251-L254 PolarHBondContact O-N 3.4Å; L254-H256 VanDerWaalsContact C-N 3.31Å; L254-H256 PolarHBondContact O-N 2.9Å; L254-E257 PolarHBondContact O-N 2.9Å; L254-E258 HydrophobicContact CD1-CG 4Å; L254-E258 WeakPolarHBondContact O-CB 3.49Å; L254-E258 PolarHBondContact O-N 3.27Å; L254-L273 HydrophobicContact CD2-CD1 4.48Å; L254-L273 HydrophobicContact CD2-CD2 3.74Å; L254-L273 HydrophobicContact CG-CD2 3.94Å
255	L	86.8	Confident	77	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-40.1	174.6	-77.7	166.9	0	0	0	112.1	E251 W259 A260 L273 I274 Y277 F278 V706	E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 2.92Å; L255-W259 HydrophobicContact CD2-CE3 4.06Å; L255-W259 WeakPolarHBondContact O-CA 3.33Å; L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 2.98Å; L255-W259 PolarHBondContact O-N 3.47Å; L255-A260 PolarHBondContact O-N 3.28Å; L255-L273 HydrophobicContact CD2-CB 4.34Å; L255-L273 HydrophobicContact CD2-CD2 3.73Å; L255-L273 HydrophobicContact CD2-CG 3.8Å; L255-L273 HydrophobicContact CG-CD2 3.93Å; L255-L273 HydrophobicContact CG-CG 4.09Å; L255-I274 HydrophobicContact CD2-CG1 3.94Å; L255-Y277 HydrophobicContact CD1-CD1 3.68Å; L255-Y277 HydrophobicContact CD1-CD2 4.34Å; L255-Y277 HydrophobicContact CD1-CE1 4.38Å; L255-Y277 HydrophobicContact CD1-CG 3.63Å; L255-F278 HydrophobicContact CD1-CE2 4.27Å; L255-V706 HydrophobicContact CB-CG2 4.4Å
256	H	86.4	Confident	78.1	Confident	50 Å²	50	60.2 Å²	60.2	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-43.1	177.3	-174.7	-84.8	0	0	0	112.6	R252 Q253 L254 N261 V706	R252-H256 WeakPolarHBondContact O-CB 3.33Å; R252-H256 PolarHBondContact O-N 3.42Å; Q253-H256 PolarHBondContact O-N 3.24Å; L254-H256 VanDerWaalsContact C-N 3.31Å; L254-H256 PolarHBondContact O-N 2.9Å; H256-N261 PolarHBondContact O-N 3.07Å; H256-V706 HydrophobicContact CB-CG1 3.99Å
257	E	83.6	Confident	79.3	Confident	39 Å²	39	55.4 Å²	55.4	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-42.9	-177.9	-73.2	-175.7	173.8	0	0	112.9	R242 R249 Q253 L254 V264	R242-E257 WeakPolarHBondContact CD-OE1 3.22Å; R242-E257 IonicContact NE-OE1 2.66Å; R249-E257 IonicContact CZ-OE2 3.97Å; R249-E257 IonicContact NE-OE2 3.55Å; R249-E257 PolarHBondContact NE-OE2 2.89Å; R249-E257 IonicContact NH2-OE2 3.17Å; R249-E257 PolarHBondContact NH2-OE2 2.99Å; Q253-E257 WeakPolarHBondContact O-CG 3.41Å; Q253-E257 PolarHBondContact O-N 2.9Å; L254-E257 PolarHBondContact O-N 2.9Å; E257-V264 WeakPolarHBondContact O-CG2 3.45Å
258	E	83.3	Confident	80.5	Confident	21 Å²	21	53 Å²	53	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-94.3	-17.4	-172	-68.8	-63.1	138.6	0	0	114	L254 V264 K267	L254-E258 HydrophobicContact CD1-CG 4Å; L254-E258 WeakPolarHBondContact O-CB 3.49Å; L254-E258 PolarHBondContact O-N 3.27Å; E258-V264 WeakPolarHBondContact O-CG1 3.49Å; E258-K267 IonicContact OE1-NZ 3.42Å; E258-K267 IonicContact OE2-NZ 3.99Å; E258-K267 PolarHBondContact OE2-NZ 3.19Å
259	W	86.7	Confident	81.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-52.3	-172.9	178.5	56.3	0	0	0	113.9	L255 N261 P270 I274 F278 F286 R699 A702 V706	L255-W259 HydrophobicContact CD2-CE3 4.06Å; L255-W259 WeakPolarHBondContact O-CA 3.33Å; L255-W259 VanDerWaalsContact O-CB 3.32Å; L255-W259 WeakPolarHBondContact O-CB 2.98Å; L255-W259 PolarHBondContact O-N 3.47Å; W259-N261 VanDerWaalsContact C-N 3.27Å; W259-N261 PolarHBondContact O-N 3.26Å; W259-P270 HydrophobicContact CB-CG 4.03Å; W259-P270 HydrophobicContact CG-CG 4.36Å; W259-I274 HydrophobicContact CD2-CD1 3.79Å; W259-I274 HydrophobicContact CD2-CG1 4.15Å; W259-I274 VanDerWaalsContact CE2-CD1 3.42Å; W259-I274 HydrophobicContact CE3-CD1 4.18Å; W259-I274 HydrophobicContact CE3-CG1 4.07Å; W259-I274 HydrophobicContact CG-CD1 4.38Å; W259-I274 HydrophobicContact CH2-CD1 3.93Å; W259-I274 HydrophobicContact CH2-CG1 4.15Å; W259-I274 HydrophobicContact CH2-CG2 4.35Å; W259-I274 HydrophobicContact CZ2-CD1 3.49Å; W259-I274 VanDerWaalsContact CZ2-CD1 3.49Å; W259-I274 HydrophobicContact CZ2-CG1 4.2Å; W259-I274 HydrophobicContact CZ3-CD1 4.26Å; W259-I274 HydrophobicContact CZ3-CG1 4.08Å; W259-F278 HydrophobicContact CZ3-CE2 4.23Å; W259-F286 HydrophobicContact CH2-CD1 4.34Å; W259-F286 AromaticContact CH2-CD2 3.79Å; W259-F286 HydrophobicContact CH2-CD2 3.79Å; W259-F286 AromaticContact CH2-CE1 3.99Å; W259-F286 HydrophobicContact CH2-CE1 3.99Å; W259-F286 AromaticContact CH2-CE2 3.4Å; W259-F286 HydrophobicContact CH2-CE2 3.4Å; W259-F286 HydrophobicContact CH2-CG 4.24Å; W259-F286 AromaticContact CH2-CZ 3.49Å; W259-F286 HydrophobicContact CH2-CZ 3.49Å; W259-F286 VanDerWaalsContact CH2-CZ 3.49Å; W259-F286 AromaticContact CZ2-CD1 3.55Å; W259-F286 HydrophobicContact CZ2-CD1 3.55Å; W259-F286 AromaticContact CZ2-CD2 3.7Å; W259-F286 HydrophobicContact CZ2-CD2 3.7Å; W259-F286 AromaticContact CZ2-CE1 3.46Å; W259-F286 HydrophobicContact CZ2-CE1 3.46Å; W259-F286 VanDerWaalsContact CZ2-CE1 3.46Å; W259-F286 AromaticContact CZ2-CE2 3.63Å; W259-F286 HydrophobicContact CZ2-CE2 3.63Å; W259-F286 AromaticContact CZ2-CG 3.65Å; W259-F286 HydrophobicContact CZ2-CG 3.65Å; W259-F286 AromaticContact CZ2-CZ 3.49Å; W259-F286 HydrophobicContact CZ2-CZ 3.49Å; W259-F286 VanDerWaalsContact CZ2-CZ 3.49Å; W259-R699 WeakPolarHBondContact O-CD 3.16Å; W259-R699 PolarHBondContact O-NH1 2.88Å; W259-A702 HydrophobicContact CD2-CB 3.58Å; W259-A702 HydrophobicContact CE3-CB 3.76Å; W259-A702 HydrophobicContact CG-CB 4.27Å; W259-A702 HydrophobicContact CH2-CB 3.66Å; W259-A702 HydrophobicContact CZ2-CB 3.46Å; W259-A702 VanDerWaalsContact CZ2-CB 3.46Å; W259-A702 HydrophobicContact CZ3-CB 3.8Å; W259-V706 HydrophobicContact CE3-CG2 4.28Å; W259-V706 HydrophobicContact CZ3-CG2 4.02Å
260	A	84.9	Confident	82.5	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.033	21%	0.214	C	C	.	.	S	Bend	trans	-83.6	11.5	-173.5	0	0	0	0	0	115.4	L255 A702 V706	L255-A260 PolarHBondContact O-N 3.28Å; A260-A702 HydrophobicContact CB-CB 3.97Å; A260-V706 HydrophobicContact CB-CB 4.21Å; A260-V706 HydrophobicContact CB-CG2 4.13Å
261	N	83.5	Confident	82.9	Confident	69 Å²	69	41.3 Å²	41.3	37%	0.369	20%	0.204	S	C	.	.			trans	-103.8	130.4	179.8	-171.8	0.1	0	0	0	111.5	H256 W259 G263 V264	H256-N261 PolarHBondContact O-N 3.07Å; W259-N261 VanDerWaalsContact C-N 3.27Å; W259-N261 PolarHBondContact O-N 3.26Å; N261-G263 PolarHBondContact O-N 3.42Å; N261-G263 PolarHBondContact OD1-N 3Å; N261-V264 HydrophobicContact CB-CG2 4.16Å; N261-V264 PolarHBondContact O-N 3.33Å
262	Y	80.7	Confident	83.1	Confident	108 Å²	108	43.3 Å²	43.3	42%	0.424	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-57.4	-29	175.7	-61.5	-72.5	0	0	0	113.2	V264 M265 R699 L700	Y262-V264 PolarHBondContact O-N 2.82Å; Y262-V264 VanDerWaalsContact O-N 3.14Å; Y262-M265 HydrophobicContact CD1-CE 3.69Å; Y262-M265 HydrophobicContact CG-CE 4.28Å; Y262-M265 VanDerWaalsContact O-CG 3.23Å; Y262-M265 WeakPolarHBondContact O-CG 3.44Å; Y262-R699 HydrophobicContact CD1-CB 4.37Å; Y262-L700 HydrophobicContact CE1-CD2 4Å; Y262-L700 WeakPolarHBondContact OH-CD2 3.32Å
263	G	77.2	Confident	83.1	Confident	53 Å²	53	43.9 Å²	43.9	55%	0.546	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.4	-9.1	176.3	0	0	0	0	0	114.8	N261 F266	N261-G263 PolarHBondContact O-N 3.42Å; N261-G263 PolarHBondContact OD1-N 3Å; G263-F266 WeakPolarHBondContact O-CE1 3.15Å
264	V	80.1	Confident	83.4	Confident	15 Å²	15	43 Å²	43	9%	0.091	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-116.2	21.7	-172	-166.6	0	0	0	0	111.5	E257 E258 N261 Y262 F266 K267 R699	E257-V264 WeakPolarHBondContact O-CG2 3.45Å; E258-V264 WeakPolarHBondContact O-CG1 3.49Å; N261-V264 HydrophobicContact CB-CG2 4.16Å; N261-V264 PolarHBondContact O-N 3.33Å; Y262-V264 PolarHBondContact O-N 2.82Å; Y262-V264 VanDerWaalsContact O-N 3.14Å; V264-F266 PolarHBondContact O-N 3.25Å; V264-F266 VanDerWaalsContact O-N 3.1Å; V264-K267 HydrophobicContact CG1-CB 3.83Å; V264-K267 HydrophobicContact CG1-CD 3.37Å; V264-K267 HydrophobicContact CG1-CG 3.52Å; V264-K267 PolarHBondContact O-N 2.97Å; V264-K267 VanDerWaalsContact O-N 3.13Å; V264-R699 PolarHBondContact O-NH2 3.43Å; V264-R699 VanDerWaalsContact O-NH2 3.1Å
265	M	77.5	Confident	83.5	Confident	76 Å²	76	43.8 Å²	43.8	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.6	-177.1	-81.6	169.9	-172.2	0	0	114.6	Y262 R699	Y262-M265 HydrophobicContact CD1-CE 3.69Å; Y262-M265 HydrophobicContact CG-CE 4.28Å; Y262-M265 VanDerWaalsContact O-CG 3.23Å; Y262-M265 WeakPolarHBondContact O-CG 3.44Å; M265-R699 HydrophobicContact CG-CG 4.08Å; M265-R699 PolarHBondContact O-NH2 3.47Å
266	F	77.1	Confident	83.5	Confident	131 Å²	131	46.2 Å²	46.2	58%	0.575	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.4	-175.9	54.2	-91.5	0	0	0	114.5	F149 G263 V264	F149-F266 WeakPolarHBondContact CD1-O 3.38Å; G263-F266 WeakPolarHBondContact O-CE1 3.15Å; V264-F266 PolarHBondContact O-N 3.25Å; V264-F266 VanDerWaalsContact O-N 3.1Å
267	K	80.3	Confident	83.6	Confident	44 Å²	44	43.9 Å²	43.9	19%	0.191	22%	0.217	C	C	.	.	S	Bend	trans	-80.9	147.6	-179.6	-61.1	-166.3	-166.9	177.7	0	112.3	F149 E258 V264 R699	F149-K267 CarbonylContact O-C 3.59Å; F149-K267 WeakPolarHBondContact O-CA 3.4Å; E258-K267 IonicContact OE1-NZ 3.42Å; E258-K267 IonicContact OE2-NZ 3.99Å; E258-K267 PolarHBondContact OE2-NZ 3.19Å; V264-K267 HydrophobicContact CG1-CB 3.83Å; V264-K267 HydrophobicContact CG1-CD 3.37Å; V264-K267 HydrophobicContact CG1-CG 3.52Å; V264-K267 PolarHBondContact O-N 2.97Å; V264-K267 VanDerWaalsContact O-N 3.13Å; K267-R699 PolarHBondContact O-NH2 3.02Å
268	Y	80.3	Confident	83.9	Confident	102 Å²	102	42.1 Å²	42.1	40%	0.4	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-60.1	151.2	169.3	-71.8	-61.6	0	0	0	111.8	N146 F149	N146-Y268 HydrophobicContact CB-CE2 4.2Å; F149-Y268 HydrophobicContact CB-CD2 3.58Å; F149-Y268 HydrophobicContact CB-CE2 3.45Å; F149-Y268 VanDerWaalsContact CB-CE2 3.45Å; F149-Y268 HydrophobicContact CG-CE2 4.41Å; F149-Y268 VanDerWaalsContact O-CD2 3.31Å; F149-Y268 WeakPolarHBondContact O-CD2 3.22Å; F149-Y268 PolarHBondContact O-N 2.85Å
269	Q	83.3	Confident	84.2	Confident	34 Å²	34	41.2 Å²	41.2	16%	0.159	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-77.1	130.5	-178.2	-58.1	-177.3	43.1	0	0	111.1	V271 F286 G290 I698	Q269-V271 VanDerWaalsContact C-N 3.27Å; Q269-V271 HydrophobicContact CB-CG2 4.27Å; Q269-V271 PolarHBondContact O-N 2.86Å; Q269-F286 PolarHBondContact OE1-O 2.97Å; Q269-G290 VanDerWaalsContact NE2-CA 3.33Å; Q269-I698 HydrophobicContact CG-CG2 4.13Å; Q269-I698 VanDerWaalsContact NE2-CD1 3.33Å
270	P	87.4	Confident	84.3	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.071	21%	0.21	C	C	.	.			trans	-81.4	70.5	176.2	33.9	-35	0	0	0	111.1	P151 V153 W259 D272 L273 I274	P151-P270 HydrophobicContact CB-CB 4.33Å; P151-P270 HydrophobicContact CG-CB 3.93Å; V153-P270 HydrophobicContact CG2-CB 3.98Å; W259-P270 HydrophobicContact CB-CG 4.03Å; W259-P270 HydrophobicContact CG-CG 4.36Å; P270-D272 VanDerWaalsContact C-N 3.28Å; P270-D272 PolarHBondContact O-N 2.97Å; P270-L273 HydrophobicContact CB-CB 4.19Å; P270-L273 PolarHBondContact O-N 2.97Å; P270-L273 VanDerWaalsContact O-N 3.1Å; P270-I274 WeakPolarHBondContact O-CG1 3.43Å; P270-I274 PolarHBondContact O-N 3.22Å; P270-I274 VanDerWaalsContact O-N 3.1Å
271	V	85.7	Confident	84.4	Confident	17 Å²	17	44.4 Å²	44.4	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-37.4	-172.4	-165.9	0	0	0	0	112.9	Q269 L273 I274 R275 G283 A287 W392	Q269-V271 VanDerWaalsContact C-N 3.27Å; Q269-V271 HydrophobicContact CB-CG2 4.27Å; Q269-V271 PolarHBondContact O-N 2.86Å; V271-L273 VanDerWaalsContact C-N 3.32Å; V271-L273 PolarHBondContact O-N 3.14Å; V271-I274 PolarHBondContact O-N 3.5Å; V271-R275 WeakPolarHBondContact O-CB 3.47Å; V271-R275 PolarHBondContact O-N 3.35Å; V271-G283 WeakPolarHBondContact CG1-O 3.44Å; V271-A287 HydrophobicContact CG1-CB 3.86Å; V271-W392 HydrophobicContact CG1-CH2 3.9Å; V271-W392 HydrophobicContact CG1-CZ2 3.51Å
272	D	84.6	Confident	84.8	Confident	88 Å²	88	41.2 Å²	41.2	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-68.2	-31.6	-179.6	-64.7	-46.2	0	0	0	112.8	P270 K276 W392	P270-D272 VanDerWaalsContact C-N 3.28Å; P270-D272 PolarHBondContact O-N 2.97Å; D272-K276 WeakPolarHBondContact O-CB 3.21Å; D272-K276 PolarHBondContact O-N 3.45Å; D272-W392 PolarHBondContact OD1-NE1 3.38Å
273	L	85.9	Confident	85.3	Confident	19 Å²	19	36.1 Å²	36.1	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-74.2	-40	174.4	-173.7	66.1	0	0	0	111.3	V153 L254 L255 P270 V271 R275 K276 Y277	V153-L273 HydrophobicContact CG1-CB 4.47Å; V153-L273 HydrophobicContact CG1-CD2 4.24Å; V153-L273 HydrophobicContact CG2-CD2 4.34Å; L254-L273 HydrophobicContact CD2-CD1 4.48Å; L254-L273 HydrophobicContact CD2-CD2 3.74Å; L254-L273 HydrophobicContact CG-CD2 3.94Å; L255-L273 HydrophobicContact CD2-CB 4.34Å; L255-L273 HydrophobicContact CD2-CD2 3.73Å; L255-L273 HydrophobicContact CD2-CG 3.8Å; L255-L273 HydrophobicContact CG-CD2 3.93Å; L255-L273 HydrophobicContact CG-CG 4.09Å; P270-L273 HydrophobicContact CB-CB 4.19Å; P270-L273 PolarHBondContact O-N 2.97Å; P270-L273 VanDerWaalsContact O-N 3.1Å; V271-L273 VanDerWaalsContact C-N 3.32Å; V271-L273 PolarHBondContact O-N 3.14Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-K276 PolarHBondContact O-N 2.88Å; L273-Y277 PolarHBondContact O-N 3.35Å; L273-Y277 VanDerWaalsContact O-N 3.13Å
274	I	89.7	Confident	86	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-47.6	174.4	-63.3	165.5	0	0	0	109.4	L255 W259 P270 V271 K276 Y277 F278 I282 F286	L255-I274 HydrophobicContact CD2-CG1 3.94Å; W259-I274 HydrophobicContact CD2-CD1 3.79Å; W259-I274 HydrophobicContact CD2-CG1 4.15Å; W259-I274 VanDerWaalsContact CE2-CD1 3.42Å; W259-I274 HydrophobicContact CE3-CD1 4.18Å; W259-I274 HydrophobicContact CE3-CG1 4.07Å; W259-I274 HydrophobicContact CG-CD1 4.38Å; W259-I274 HydrophobicContact CH2-CD1 3.93Å; W259-I274 HydrophobicContact CH2-CG1 4.15Å; W259-I274 HydrophobicContact CH2-CG2 4.35Å; W259-I274 HydrophobicContact CZ2-CD1 3.49Å; W259-I274 VanDerWaalsContact CZ2-CD1 3.49Å; W259-I274 HydrophobicContact CZ2-CG1 4.2Å; W259-I274 HydrophobicContact CZ3-CD1 4.26Å; W259-I274 HydrophobicContact CZ3-CG1 4.08Å; P270-I274 WeakPolarHBondContact O-CG1 3.43Å; P270-I274 PolarHBondContact O-N 3.22Å; P270-I274 VanDerWaalsContact O-N 3.1Å; V271-I274 PolarHBondContact O-N 3.5Å; I274-K276 PolarHBondContact O-N 3.28Å; I274-Y277 PolarHBondContact O-N 3.47Å; I274-F278 HydrophobicContact CG2-CD2 4.12Å; I274-F278 PolarHBondContact O-N 2.96Å; I274-I282 HydrophobicContact CG2-CG2 4.35Å; I274-F286 HydrophobicContact CD1-CB 4.33Å; I274-F286 HydrophobicContact CG2-CD2 4Å
275	R	88.8	Confident	86.6	Confident	38 Å²	38	33.1 Å²	33.1	14%	0.143	15%	0.153	C	C	.	.	H	α-helix	trans	-55.9	-48.7	174.7	179.5	-169.4	71.8	123.5	-2.4	112	V271 L273 Y277 G279 E280 W392	V271-R275 WeakPolarHBondContact O-CB 3.47Å; V271-R275 PolarHBondContact O-N 3.35Å; L273-R275 VanDerWaalsContact C-N 3.33Å; R275-Y277 PolarHBondContact O-N 3.28Å; R275-G279 WeakPolarHBondContact CA-O 3.28Å; R275-G279 CarbonylContact O-C 3.54Å; R275-G279 WeakPolarHBondContact O-CA 3.42Å; R275-G279 PolarHBondContact O-N 3.01Å; R275-E280 HydrophobicContact CG-CG 3.91Å; R275-W392 VanDerWaalsContact CD-CD2 3.46Å; R275-W392 HydrophobicContact CG-CD2 4.44Å
276	K	86.4	Confident	87.3	Confident	52 Å²	52	29.5 Å²	29.5	23%	0.226	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-36.2	-178.1	-168.8	-173.4	-178.2	-152.9	0	112.1	D193 A195 E251 D272 L273 I274	D193-K276 HydrophobicContact CB-CG 4.5Å; D193-K276 WeakPolarHBondContact OD1-CE 3.37Å; D193-K276 IonicContact OD1-NZ 2.68Å; D193-K276 WeakPolarHBondContact OD2-CE 3.21Å; A195-K276 VanDerWaalsContact CB-O 3.28Å; A195-K276 WeakPolarHBondContact CB-O 3.42Å; E251-K276 IonicContact OE1-NZ 3.41Å; E251-K276 PolarHBondContact OE1-NZ 3.42Å; D272-K276 WeakPolarHBondContact O-CB 3.21Å; D272-K276 PolarHBondContact O-N 3.45Å; L273-K276 PolarHBondContact O-N 2.88Å; I274-K276 PolarHBondContact O-N 3.28Å
277	Y	89.6	Confident	88.1	Confident	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-89.4	-46.3	-175	-169	-103.5	0	0	0	113.8	H236 E251 R252 L255 L273 I274 R275 R711	H236-Y277 AromaticContact ND1-CE1 3.93Å; H236-Y277 AromaticContact ND1-CZ 3.71Å; H236-Y277 PolarHBondContact ND1-OH 3.46Å; E251-Y277 HydrophobicContact CB-CD2 3.95Å; E251-Y277 HydrophobicContact CB-CE2 4.25Å; R252-Y277 HydrophobicContact CB-CE2 4.43Å; R252-Y277 WeakPolarHBondContact CB-OH 3.47Å; L255-Y277 HydrophobicContact CD1-CD1 3.68Å; L255-Y277 HydrophobicContact CD1-CD2 4.34Å; L255-Y277 HydrophobicContact CD1-CE1 4.38Å; L255-Y277 HydrophobicContact CD1-CG 3.63Å; L273-Y277 PolarHBondContact O-N 3.35Å; L273-Y277 VanDerWaalsContact O-N 3.13Å; I274-Y277 PolarHBondContact O-N 3.47Å; R275-Y277 PolarHBondContact O-N 3.28Å; Y277-R711 PolarHBondContact O-NE 3.36Å; Y277-R711 PolarHBondContact O-NH2 2.92Å
278	F	89.7	Confident	88.7	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-102.7	-14.6	-173	-69.3	-67.5	0	0	0	114.4	L255 W259 I274 I282 F705 V706 P712	L255-F278 HydrophobicContact CD1-CE2 4.27Å; W259-F278 HydrophobicContact CZ3-CE2 4.23Å; I274-F278 HydrophobicContact CG2-CD2 4.12Å; I274-F278 PolarHBondContact O-N 2.96Å; F278-I282 HydrophobicContact CB-CB 4.05Å; F278-I282 HydrophobicContact CB-CD1 3.92Å; F278-I282 HydrophobicContact CB-CG2 4.02Å; F278-I282 HydrophobicContact CD1-CD1 4.49Å; F278-I282 HydrophobicContact CG-CD1 4.49Å; F278-I282 HydrophobicContact CG-CG2 4.42Å; F278-F705 HydrophobicContact CZ-CB 4.14Å; F278-F705 WeakPolarHBondContact CZ-O 3.33Å; F278-V706 HydrophobicContact CE2-CG2 4.25Å; F278-V706 HydrophobicContact CZ-CG2 4.15Å; F278-P712 HydrophobicContact CD1-CG 4.02Å
279	G	89	Confident	89.3	Confident	2 Å²	2	16.6 Å²	16.6	2%	0.021	8%	0.082	C	C	.	.			trans	98.3	175.3	-175.5	0	0	0	0	0	113.8	R275 G283	R275-G279 WeakPolarHBondContact CA-O 3.28Å; R275-G279 CarbonylContact O-C 3.54Å; R275-G279 WeakPolarHBondContact O-CA 3.42Å; R275-G279 PolarHBondContact O-N 3.01Å; G279-G283 PolarHBondContact O-N 2.94Å
280	E	88.1	Confident	89.7	Confident	22 Å²	22	15.9 Å²	15.9	10%	0.103	8%	0.084	C	C	.	.	H	α-helix	trans	-74.1	-34.4	-171.5	-63	88	168.2	0	0	113.7	R275 G283 L284 W392 L394 R716	R275-E280 HydrophobicContact CG-CG 3.91Å; E280-G283 PolarHBondContact O-N 3.27Å; E280-L284 WeakPolarHBondContact O-CB 3.39Å; E280-L284 PolarHBondContact O-N 3.16Å; E280-W392 HydrophobicContact CB-CE3 4.44Å; E280-W392 HydrophobicContact CG-CE3 4.46Å; E280-L394 HydrophobicContact CB-CD1 4.49Å; E280-L394 HydrophobicContact CB-CD2 4.48Å; E280-L394 HydrophobicContact CG-CD1 4.41Å; E280-L394 HydrophobicContact CG-CD2 4.04Å; E280-R716 WeakPolarHBondContact OE2-CG 3.02Å
281	Q	88.4	Confident	89.8	Confident	49 Å²	49	15.8 Å²	15.8	23%	0.229	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-50.6	179.4	-170.6	-176.5	28.2	0	0	112.2	L284 Y285 V662 V715 C717	Q281-L284 PolarHBondContact O-N 2.93Å; Q281-Y285 PolarHBondContact O-N 3.29Å; Q281-V662 HydrophobicContact CG-CG2 4.42Å; Q281-V715 HydrophobicContact CB-CB 4.46Å; Q281-V715 PolarHBondContact N-O 3.07Å; Q281-C717 HydrophobicContact CB-CB 4.26Å
282	I	91.3	Very high	90.2	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-70.9	-38.4	178.2	-65.6	163.5	0	0	0	110.7	I274 F278 L284 Y285 F286 F659 V662 F705 P712	I274-I282 HydrophobicContact CG2-CG2 4.35Å; F278-I282 HydrophobicContact CB-CB 4.05Å; F278-I282 HydrophobicContact CB-CD1 3.92Å; F278-I282 HydrophobicContact CB-CG2 4.02Å; F278-I282 HydrophobicContact CD1-CD1 4.49Å; F278-I282 HydrophobicContact CG-CD1 4.49Å; F278-I282 HydrophobicContact CG-CG2 4.42Å; I282-L284 VanDerWaalsContact C-N 3.27Å; I282-L284 PolarHBondContact O-N 3.45Å; I282-Y285 WeakPolarHBondContact O-CB 3.49Å; I282-Y285 PolarHBondContact O-N 2.97Å; I282-F286 HydrophobicContact CG2-CD2 3.79Å; I282-F286 HydrophobicContact CG2-CE2 3.62Å; I282-F286 VanDerWaalsContact O-CD2 3.32Å; I282-F286 WeakPolarHBondContact O-CD2 3.48Å; I282-F286 PolarHBondContact O-N 3.22Å; I282-F659 HydrophobicContact CD1-CZ 4.46Å; I282-V662 HydrophobicContact CG1-CG2 3.95Å; I282-F705 HydrophobicContact CD1-CD1 4.28Å; I282-F705 HydrophobicContact CD1-CE1 3.83Å; I282-F705 HydrophobicContact CG1-CE1 4.11Å; I282-F705 HydrophobicContact CG2-CD1 4.29Å; I282-F705 HydrophobicContact CG2-CE1 4.17Å; I282-P712 HydrophobicContact CD1-CB 4.06Å; I282-P712 HydrophobicContact CD1-CG 3.27Å
283	G	91.4	Very high	90.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-57.7	-39.8	173.2	0	0	0	0	0	112.5	V271 G279 E280 A287	V271-G283 WeakPolarHBondContact CG1-O 3.44Å; G279-G283 PolarHBondContact O-N 2.94Å; E280-G283 PolarHBondContact O-N 3.27Å; G283-A287 WeakPolarHBondContact O-CB 3.36Å; G283-A287 PolarHBondContact O-N 2.73Å
284	L	91.4	Very high	90.8	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-69.5	-36.8	179	-164.7	67.2	0	0	0	112.3	E280 Q281 I282 A287 W288 W381 L388 W392 D719 I720	E280-L284 WeakPolarHBondContact O-CB 3.39Å; E280-L284 PolarHBondContact O-N 3.16Å; Q281-L284 PolarHBondContact O-N 2.93Å; I282-L284 VanDerWaalsContact C-N 3.27Å; I282-L284 PolarHBondContact O-N 3.45Å; L284-A287 WeakPolarHBondContact O-CB 3.33Å; L284-A287 PolarHBondContact O-N 2.72Å; L284-W288 WeakPolarHBondContact O-CB 3.31Å; L284-W288 PolarHBondContact O-N 2.74Å; L284-W381 HydrophobicContact CD1-CH2 3.93Å; L284-W381 HydrophobicContact CD1-CZ2 4Å; L284-W381 HydrophobicContact CG-CH2 4.36Å; L284-W381 HydrophobicContact CG-CZ2 4.24Å; L284-L388 HydrophobicContact CD1-CD1 4.22Å; L284-W392 HydrophobicContact CB-CZ3 4.06Å; L284-W392 HydrophobicContact CD1-CH2 4.37Å; L284-W392 HydrophobicContact CD1-CZ3 3.88Å; L284-D719 WeakPolarHBondContact CD2-O 3.39Å; L284-I720 HydrophobicContact CD2-CG2 3.76Å; L284-I720 HydrophobicContact CG-CG2 4Å
285	Y	93.1	Very high	91	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-58	-54.5	173.5	168.9	-105.4	0	0	0	111.9	Q281 I282 A287 W288 L289 V662 E665 Y666 D701	Q281-Y285 PolarHBondContact O-N 3.29Å; I282-Y285 WeakPolarHBondContact O-CB 3.49Å; I282-Y285 PolarHBondContact O-N 2.97Å; Y285-A287 VanDerWaalsContact C-N 3.28Å; Y285-A287 PolarHBondContact O-N 2.7Å; Y285-W288 WeakPolarHBondContact O-CB 3.5Å; Y285-W288 PolarHBondContact O-N 2.66Å; Y285-W288 VanDerWaalsContact O-N 3.12Å; Y285-L289 HydrophobicContact CE1-CD2 4.24Å; Y285-L289 WeakPolarHBondContact O-CB 3.41Å; Y285-L289 PolarHBondContact O-N 2.99Å; Y285-V662 HydrophobicContact CD1-CG1 4.18Å; Y285-V662 HydrophobicContact CD2-CG1 3.81Å; Y285-V662 HydrophobicContact CE2-CG1 4.47Å; Y285-V662 HydrophobicContact CG-CG1 3.65Å; Y285-E665 HydrophobicContact CE1-CB 4.45Å; Y285-E665 HydrophobicContact CE2-CB 3.91Å; Y285-Y666 WeakPolarHBondContact CA-OH 3.41Å; Y285-Y666 WeakPolarHBondContact CB-OH 3.15Å; Y285-Y666 AromaticContact CD2-CD1 3.84Å; Y285-Y666 HydrophobicContact CD2-CD1 3.84Å; Y285-Y666 AromaticContact CD2-CD2 3.92Å; Y285-Y666 HydrophobicContact CD2-CD2 3.92Å; Y285-Y666 AromaticContact CD2-CE1 3.67Å; Y285-Y666 HydrophobicContact CD2-CE1 3.67Å; Y285-Y666 AromaticContact CD2-CE2 3.74Å; Y285-Y666 HydrophobicContact CD2-CE2 3.74Å; Y285-Y666 AromaticContact CD2-CG 3.98Å; Y285-Y666 HydrophobicContact CD2-CG 3.98Å; Y285-Y666 AromaticContact CD2-CZ 3.63Å; Y285-Y666 HydrophobicContact CE2-CD1 4.29Å; Y285-Y666 HydrophobicContact CE2-CG 4.36Å; Y285-Y666 HydrophobicContact CG-CE2 4.26Å; Y285-Y666 PolarHBondContact N-OH 3.47Å; Y285-D701 WeakPolarHBondContact CE1-OD2 3.46Å; Y285-D701 PolarHBondContact OH-OD2 3.08Å
286	F	92.9	Very high	91.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.8	-32.2	179	-74.5	-64.8	0	0	0	112.7	W259 Q269 I274 I282 G290 D701 F705	W259-F286 HydrophobicContact CH2-CD1 4.34Å; W259-F286 AromaticContact CH2-CD2 3.79Å; W259-F286 HydrophobicContact CH2-CD2 3.79Å; W259-F286 AromaticContact CH2-CE1 3.99Å; W259-F286 HydrophobicContact CH2-CE1 3.99Å; W259-F286 AromaticContact CH2-CE2 3.4Å; W259-F286 HydrophobicContact CH2-CE2 3.4Å; W259-F286 HydrophobicContact CH2-CG 4.24Å; W259-F286 AromaticContact CH2-CZ 3.49Å; W259-F286 HydrophobicContact CH2-CZ 3.49Å; W259-F286 VanDerWaalsContact CH2-CZ 3.49Å; W259-F286 AromaticContact CZ2-CD1 3.55Å; W259-F286 HydrophobicContact CZ2-CD1 3.55Å; W259-F286 AromaticContact CZ2-CD2 3.7Å; W259-F286 HydrophobicContact CZ2-CD2 3.7Å; W259-F286 AromaticContact CZ2-CE1 3.46Å; W259-F286 HydrophobicContact CZ2-CE1 3.46Å; W259-F286 VanDerWaalsContact CZ2-CE1 3.46Å; W259-F286 AromaticContact CZ2-CE2 3.63Å; W259-F286 HydrophobicContact CZ2-CE2 3.63Å; W259-F286 AromaticContact CZ2-CG 3.65Å; W259-F286 HydrophobicContact CZ2-CG 3.65Å; W259-F286 AromaticContact CZ2-CZ 3.49Å; W259-F286 HydrophobicContact CZ2-CZ 3.49Å; W259-F286 VanDerWaalsContact CZ2-CZ 3.49Å; Q269-F286 PolarHBondContact OE1-O 2.97Å; I274-F286 HydrophobicContact CD1-CB 4.33Å; I274-F286 HydrophobicContact CG2-CD2 4Å; I282-F286 HydrophobicContact CG2-CD2 3.79Å; I282-F286 HydrophobicContact CG2-CE2 3.62Å; I282-F286 VanDerWaalsContact O-CD2 3.32Å; I282-F286 WeakPolarHBondContact O-CD2 3.48Å; I282-F286 PolarHBondContact O-N 3.22Å; F286-G290 PolarHBondContact O-N 3.41Å; F286-D701 HydrophobicContact CE1-CB 3.67Å; F286-D701 HydrophobicContact CZ-CB 3.79Å; F286-F705 HydrophobicContact CE2-CD2 4.11Å; F286-F705 HydrophobicContact CE2-CE2 4.35Å; F286-F705 HydrophobicContact CE2-CG 4.47Å; F286-F705 AromaticContact CZ-CD2 3.8Å; F286-F705 HydrophobicContact CZ-CD2 3.8Å; F286-F705 HydrophobicContact CZ-CE2 4.14Å; F286-F705 HydrophobicContact CZ-CG 4.5Å
287	A	92.2	Very high	91.5	Very high	6 Å²	6	16.9 Å²	16.9	5%	0.05	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-44.8	171.6	0	0	0	0	0	112.3	V271 G283 L284 Y285 V291 W381 L388 W392	V271-A287 HydrophobicContact CG1-CB 3.86Å; G283-A287 WeakPolarHBondContact O-CB 3.36Å; G283-A287 PolarHBondContact O-N 2.73Å; L284-A287 WeakPolarHBondContact O-CB 3.33Å; L284-A287 PolarHBondContact O-N 2.72Å; Y285-A287 VanDerWaalsContact C-N 3.28Å; Y285-A287 PolarHBondContact O-N 2.7Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 2.99Å; A287-V291 VanDerWaalsContact O-N 3.09Å; A287-W381 HydrophobicContact CB-CH2 4.27Å; A287-W381 HydrophobicContact CB-CZ3 4.43Å; A287-L388 HydrophobicContact CB-CD1 3.56Å; A287-W392 HydrophobicContact CB-CH2 4.41Å
288	W	94.3	Very high	91.7	Very high	1 Å²	1	20 Å²	20	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-49.2	177	178.2	85.9	0	0	0	111.4	L284 Y285 G290 V291 Y292 F377 W381 Y666 M669 I670 L727	L284-W288 WeakPolarHBondContact O-CB 3.31Å; L284-W288 PolarHBondContact O-N 2.74Å; Y285-W288 WeakPolarHBondContact O-CB 3.5Å; Y285-W288 PolarHBondContact O-N 2.66Å; Y285-W288 VanDerWaalsContact O-N 3.12Å; W288-G290 VanDerWaalsContact C-N 3.29Å; W288-G290 PolarHBondContact O-N 3.48Å; W288-V291 PolarHBondContact O-N 3.43Å; W288-V291 VanDerWaalsContact O-N 3.14Å; W288-Y292 HydrophobicContact CH2-CD1 4.07Å; W288-Y292 HydrophobicContact CH2-CG 4.44Å; W288-Y292 HydrophobicContact CZ3-CD1 4.33Å; W288-Y292 WeakPolarHBondContact O-CB 3.32Å; W288-Y292 PolarHBondContact O-N 3.04Å; W288-F377 HydrophobicContact CZ2-CZ 4.29Å; W288-F377 AromaticContact NE1-CZ 3.84Å; W288-W381 VanDerWaalsContact CA-CH2 3.42Å; W288-W381 HydrophobicContact CB-CE3 4.28Å; W288-W381 HydrophobicContact CB-CH2 3.43Å; W288-W381 VanDerWaalsContact CB-CH2 3.43Å; W288-W381 HydrophobicContact CB-CZ2 3.77Å; W288-W381 HydrophobicContact CB-CZ3 3.74Å; W288-W381 AromaticContact CD1-CD2 3.57Å; W288-W381 AromaticContact CD1-CE2 3.54Å; W288-W381 AromaticContact CD1-CE3 3.91Å; W288-W381 AromaticContact CD1-CZ2 3.86Å; W288-W381 AromaticContact CD1-NE1 3.95Å; W288-W381 HydrophobicContact CG-CD2 4.45Å; W288-W381 HydrophobicContact CG-CE3 4.45Å; W288-W381 HydrophobicContact CG-CH2 4.23Å; W288-W381 HydrophobicContact CG-CZ2 4.21Å; W288-W381 HydrophobicContact CG-CZ3 4.38Å; W288-Y666 HydrophobicContact CD2-CE1 4.28Å; W288-Y666 HydrophobicContact CE3-CD1 4.26Å; W288-Y666 HydrophobicContact CE3-CE1 4.12Å; W288-Y666 HydrophobicContact CG-CE1 4.47Å; W288-Y666 HydrophobicContact CZ3-CD1 4.49Å; W288-M669 HydrophobicContact CH2-CB 3.71Å; W288-M669 HydrophobicContact CZ3-CB 3.52Å; W288-M669 HydrophobicContact CZ3-CG 4.16Å; W288-I670 HydrophobicContact CH2-CG1 4.17Å; W288-I670 HydrophobicContact CZ2-CG1 4.35Å; W288-L727 HydrophobicContact CZ2-CD1 3.92Å; W288-L727 HydrophobicContact CZ2-CD2 4.4Å
289	L	91.8	Very high	92	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-39.2	179.2	-173.1	60.4	0	0	0	111.7	Y285 Y292 T293 M669 I698	Y285-L289 HydrophobicContact CE1-CD2 4.24Å; Y285-L289 WeakPolarHBondContact O-CB 3.41Å; Y285-L289 PolarHBondContact O-N 2.99Å; L289-Y292 HydrophobicContact CD1-CD1 4.37Å; L289-Y292 PolarHBondContact O-N 3.3Å; L289-T293 WeakPolarHBondContact O-CB 3.42Å; L289-T293 PolarHBondContact O-N 3.41Å; L289-T293 PolarHBondContact O-OG1 3.24Å; L289-M669 HydrophobicContact CD1-CG 3.94Å; L289-M669 HydrophobicContact CD1-SD 3.67Å; L289-I698 HydrophobicContact CD2-CB 4.36Å; L289-I698 HydrophobicContact CD2-CG1 3.42Å; L289-I698 VanDerWaalsContact CD2-CG1 3.42Å; L289-I698 HydrophobicContact CG-CD1 4.19Å; L289-I698 HydrophobicContact CG-CG1 3.58Å
290	G	91.1	Very high	92.3	Very high	19 Å²	19	20 Å²	20	20%	0.196	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-44.9	173.9	0	0	0	0	0	113.3	Q269 F286 W288 T293 Q294	Q269-G290 VanDerWaalsContact NE2-CA 3.33Å; F286-G290 PolarHBondContact O-N 3.41Å; W288-G290 VanDerWaalsContact C-N 3.29Å; W288-G290 PolarHBondContact O-N 3.48Å; G290-T293 PolarHBondContact O-N 2.92Å; G290-Q294 WeakPolarHBondContact O-CB 3.42Å; G290-Q294 PolarHBondContact O-N 2.8Å
291	V	91.4	Very high	92.6	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-43.5	176	169.7	0	0	0	0	111.3	A287 W288 T293 Q294 L295 F377 W381 R384	A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 2.99Å; A287-V291 VanDerWaalsContact O-N 3.09Å; W288-V291 PolarHBondContact O-N 3.43Å; W288-V291 VanDerWaalsContact O-N 3.14Å; V291-T293 VanDerWaalsContact C-N 3.34Å; V291-T293 PolarHBondContact O-N 3.32Å; V291-Q294 PolarHBondContact O-N 3.45Å; V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; V291-L295 WeakPolarHBondContact O-CB 3.19Å; V291-L295 PolarHBondContact O-N 3.25Å; V291-F377 HydrophobicContact CG1-CE2 4.35Å; V291-W381 HydrophobicContact CB-CE3 4.07Å; V291-W381 HydrophobicContact CB-CZ3 4.37Å; V291-W381 HydrophobicContact CG1-CE3 4.2Å; V291-W381 HydrophobicContact CG2-CE3 4.06Å; V291-W381 HydrophobicContact CG2-CZ3 4.09Å; V291-R384 HydrophobicContact CG2-CB 4.45Å; V291-R384 HydrophobicContact CG2-CG 3.9Å
292	Y	93.9	Very high	92.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-47.2	176.9	177.1	-137.4	0	0	0	111.2	W288 L289 L295 L296 W373 F377 Y673 N694	W288-Y292 HydrophobicContact CH2-CD1 4.07Å; W288-Y292 HydrophobicContact CH2-CG 4.44Å; W288-Y292 HydrophobicContact CZ3-CD1 4.33Å; W288-Y292 WeakPolarHBondContact O-CB 3.32Å; W288-Y292 PolarHBondContact O-N 3.04Å; L289-Y292 HydrophobicContact CD1-CD1 4.37Å; L289-Y292 PolarHBondContact O-N 3.3Å; Y292-L295 PolarHBondContact O-N 2.8Å; Y292-L296 HydrophobicContact CD1-CD1 4.42Å; Y292-L296 HydrophobicContact CD2-CD1 4.06Å; Y292-L296 HydrophobicContact CD2-CG 4.11Å; Y292-L296 HydrophobicContact CE1-CD1 4.06Å; Y292-L296 HydrophobicContact CE2-CD1 3.63Å; Y292-L296 HydrophobicContact CE2-CD2 4.04Å; Y292-L296 HydrophobicContact CE2-CG 3.78Å; Y292-L296 HydrophobicContact CG-CD1 4.42Å; Y292-L296 WeakPolarHBondContact O-CG 3.5Å; Y292-L296 PolarHBondContact O-N 3.14Å; Y292-W373 HydrophobicContact CE2-CH2 4.21Å; Y292-F377 HydrophobicContact CD2-CE2 4Å; Y292-F377 HydrophobicContact CD2-CZ 4.05Å; Y292-F377 HydrophobicContact CG-CE2 4.41Å; Y292-F377 HydrophobicContact CG-CZ 4.43Å; Y292-Y673 HydrophobicContact CD2-CD2 4.49Å; Y292-Y673 AromaticContact CE2-CD2 3.75Å; Y292-Y673 HydrophobicContact CE2-CD2 3.75Å; Y292-Y673 WeakPolarHBondContact OH-CA 3.11Å; Y292-N694 WeakPolarHBondContact CD1-ND2 3.2Å; Y292-N694 WeakPolarHBondContact CE1-ND2 3.12Å
293	T	92.1	Very high	93	Very high	15 Å²	15	23 Å²	23	9%	0.092	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-44.1	176.8	-52.6	0	0	0	0	112.2	L289 G290 V291 L295 L296 L691 N694 V695 I698	L289-T293 WeakPolarHBondContact O-CB 3.42Å; L289-T293 PolarHBondContact O-N 3.41Å; L289-T293 PolarHBondContact O-OG1 3.24Å; G290-T293 PolarHBondContact O-N 2.92Å; V291-T293 VanDerWaalsContact C-N 3.34Å; V291-T293 PolarHBondContact O-N 3.32Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.93Å; T293-L296 PolarHBondContact O-N 3Å; T293-L691 HydrophobicContact CG2-CD1 3.77Å; T293-L691 VanDerWaalsContact O-CD1 3.25Å; T293-L691 WeakPolarHBondContact O-CD1 3.49Å; T293-N694 HydrophobicContact CG2-CB 4.04Å; T293-N694 WeakPolarHBondContact OG1-CB 3.42Å; T293-N694 PolarHBondContact OG1-ND2 3.42Å; T293-V695 HydrophobicContact CG2-CG2 3.97Å; T293-I698 HydrophobicContact CG2-CD1 4.19Å; T293-I698 WeakPolarHBondContact OG1-CD1 3.36Å
294	Q	91.1	Very high	93.1	Very high	105 Å²	105	26.5 Å²	26.5	49%	0.491	15%	0.149	S	C	.	.	H	α-helix	trans	-63.2	-41.6	178.5	-177.2	178.3	-1.6	0	0	111.9	G290 V291 L296 I297	G290-Q294 WeakPolarHBondContact O-CB 3.42Å; G290-Q294 PolarHBondContact O-N 2.8Å; V291-Q294 PolarHBondContact O-N 3.45Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; Q294-I297 PolarHBondContact O-N 2.95Å
295	L	92.2	Very high	93.2	Very high	35 Å²	35	30.8 Å²	30.8	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-78.8	-16.5	-179.3	-73.2	176.3	0	0	0	113.1	V291 Y292 T293 I297 P298 P299 W373 F377 H380	V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; V291-L295 WeakPolarHBondContact O-CB 3.19Å; V291-L295 PolarHBondContact O-N 3.25Å; Y292-L295 PolarHBondContact O-N 2.8Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.93Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 3.48Å; L295-P298 WeakPolarHBondContact O-CD 3.47Å; L295-P299 WeakPolarHBondContact O-CD 3.45Å; L295-W373 HydrophobicContact CB-CZ2 4.46Å; L295-W373 PolarHBondContact O-NE1 3.32Å; L295-F377 HydrophobicContact CB-CD2 4.24Å; L295-F377 HydrophobicContact CD1-CB 4.3Å; L295-F377 HydrophobicContact CD1-CD2 3.71Å; L295-F377 HydrophobicContact CD1-CG 4.49Å; L295-H380 HydrophobicContact CD1-CB 3.88Å
296	L	93.4	Very high	93.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.2	-22.1	170.1	-81.8	169.7	0	0	0	113.3	Y292 T293 Q294 P299 S300 W373 V676 P687 A690 L691 N694	Y292-L296 HydrophobicContact CD1-CD1 4.42Å; Y292-L296 HydrophobicContact CD2-CD1 4.06Å; Y292-L296 HydrophobicContact CD2-CG 4.11Å; Y292-L296 HydrophobicContact CE1-CD1 4.06Å; Y292-L296 HydrophobicContact CE2-CD1 3.63Å; Y292-L296 HydrophobicContact CE2-CD2 4.04Å; Y292-L296 HydrophobicContact CE2-CG 3.78Å; Y292-L296 HydrophobicContact CG-CD1 4.42Å; Y292-L296 WeakPolarHBondContact O-CG 3.5Å; Y292-L296 PolarHBondContact O-N 3.14Å; T293-L296 PolarHBondContact O-N 3Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; L296-P299 VanDerWaalsContact O-CD 3.22Å; L296-P299 WeakPolarHBondContact O-CD 3.45Å; L296-S300 PolarHBondContact O-N 2.92Å; L296-S300 PolarHBondContact O-OG 3.36Å; L296-W373 HydrophobicContact CD2-CH2 3.86Å; L296-W373 HydrophobicContact CD2-CZ2 3.91Å; L296-W373 HydrophobicContact CG-CH2 4.48Å; L296-W373 HydrophobicContact CG-CZ2 4.22Å; L296-V676 HydrophobicContact CD2-CG1 4.09Å; L296-P687 HydrophobicContact CD2-CB 4.17Å; L296-A690 HydrophobicContact CD1-CB 4.22Å; L296-L691 HydrophobicContact CB-CB 4.42Å; L296-L691 HydrophobicContact CB-CD1 4.05Å; L296-N694 WeakPolarHBondContact CD1-ND2 3.46Å
297	I	93.4	Very high	93.1	Very high	82 Å²	82	33.2 Å²	33.2	42%	0.421	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-51.6	-176.5	-60.8	168.9	0	0	0	112.7	Q294 L295 S300 V301 L691	Q294-I297 PolarHBondContact O-N 2.95Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 3.48Å; I297-S300 PolarHBondContact O-N 2.85Å; I297-V301 HydrophobicContact CG2-CG2 4.42Å; I297-V301 WeakPolarHBondContact O-CG2 3.45Å; I297-V301 PolarHBondContact O-N 3.46Å; I297-L691 HydrophobicContact CG1-CD1 3.87Å; I297-L691 HydrophobicContact CG1-CD2 4.14Å
298	P	94.4	Very high	93	Very high	66 Å²	66	37.2 Å²	37.2	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-45.6	179.3	-17.4	29.2	0	0	0	114	L295 S300 V301 L302	L295-P298 WeakPolarHBondContact O-CD 3.47Å; P298-S300 VanDerWaalsContact C-N 3.35Å; P298-S300 PolarHBondContact O-N 3.14Å; P298-V301 PolarHBondContact O-N 3.09Å; P298-L302 WeakPolarHBondContact O-CB 3.34Å; P298-L302 PolarHBondContact O-N 3.34Å
299	P	94.9	Very high	92.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-53.8	-43.3	168.3	-29.7	34.8	0	0	0	115	L295 L296 L302 G303 F369 M370 W373 P687	L295-P299 WeakPolarHBondContact O-CD 3.45Å; L296-P299 VanDerWaalsContact O-CD 3.22Å; L296-P299 WeakPolarHBondContact O-CD 3.45Å; P299-L302 PolarHBondContact O-N 3.01Å; P299-G303 PolarHBondContact O-N 2.92Å; P299-F369 HydrophobicContact CB-CE1 4.35Å; P299-F369 HydrophobicContact CG-CE1 4.06Å; P299-M370 HydrophobicContact CB-CE 4.38Å; P299-M370 HydrophobicContact CB-SD 3.7Å; P299-M370 HydrophobicContact CG-SD 4.06Å; P299-W373 VanDerWaalsContact CG-CD1 3.4Å; P299-W373 HydrophobicContact CG-CD2 3.77Å; P299-W373 HydrophobicContact CG-CG 3.69Å; P299-W373 HydrophobicContact CG-CZ2 4.21Å; P299-W373 VanDerWaalsContact CG-NE1 3.28Å; P299-P687 HydrophobicContact CB-CB 3.71Å; P299-P687 HydrophobicContact CB-CG 3.96Å
300	S	94.8	Very high	92.9	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-44.1	179.6	-51.4	0	0	0	0	111.3	L296 I297 P298 G303 I304 P687	L296-S300 PolarHBondContact O-N 2.92Å; L296-S300 PolarHBondContact O-OG 3.36Å; I297-S300 PolarHBondContact O-N 2.85Å; P298-S300 VanDerWaalsContact C-N 3.35Å; P298-S300 PolarHBondContact O-N 3.14Å; S300-G303 PolarHBondContact O-N 3Å; S300-I304 WeakPolarHBondContact O-CD1 3.48Å; S300-I304 VanDerWaalsContact O-CG1 3.26Å; S300-I304 WeakPolarHBondContact O-CG1 3.48Å; S300-I304 PolarHBondContact O-N 2.92Å; S300-P687 VanDerWaalsContact OG-C 3.25Å; S300-P687 PolarHBondContact OG-O 3.12Å
301	V	95	Very high	92.9	Very high	78 Å²	78	45.3 Å²	45.3	47%	0.473	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-48.6	177.5	173.4	0	0	0	0	110.7	I297 P298 G303 I304 I305	I297-V301 HydrophobicContact CG2-CG2 4.42Å; I297-V301 WeakPolarHBondContact O-CG2 3.45Å; I297-V301 PolarHBondContact O-N 3.46Å; P298-V301 PolarHBondContact O-N 3.09Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 2.88Å; V301-I304 PolarHBondContact O-N 3.34Å; V301-I305 HydrophobicContact CG1-CD1 3.96Å; V301-I305 VanDerWaalsContact O-CG1 3.32Å; V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 3.35Å
302	L	94.1	Very high	92.9	Very high	56 Å²	56	51.6 Å²	51.6	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-38.3	179.8	-173.7	63.5	0	0	0	112	P298 P299 I305 V306 F366 F369	P298-L302 WeakPolarHBondContact O-CB 3.34Å; P298-L302 PolarHBondContact O-N 3.34Å; P299-L302 PolarHBondContact O-N 3.01Å; L302-I305 WeakPolarHBondContact O-CB 3.43Å; L302-I305 PolarHBondContact O-N 2.73Å; L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 3.2Å; L302-F366 HydrophobicContact CB-CD2 4.36Å; L302-F366 HydrophobicContact CB-CE2 4.03Å; L302-F366 HydrophobicContact CD2-CD2 3.72Å; L302-F366 HydrophobicContact CD2-CE2 4.05Å; L302-F366 HydrophobicContact CG-CD2 3.81Å; L302-F366 HydrophobicContact CG-CE2 4.01Å; L302-F369 HydrophobicContact CD2-CB 4.14Å; L302-F369 HydrophobicContact CD2-CD1 3.5Å; L302-F369 HydrophobicContact CD2-CD2 3.9Å; L302-F369 HydrophobicContact CD2-CE1 3.8Å; L302-F369 HydrophobicContact CD2-CE2 4.16Å; L302-F369 HydrophobicContact CD2-CG 3.55Å; L302-F369 HydrophobicContact CD2-CZ 4.11Å
303	G	93.2	Very high	92.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-41.8	175.2	0	0	0	0	0	112.7	P299 S300 V301 V306 F307 P684	P299-G303 PolarHBondContact O-N 2.92Å; S300-G303 PolarHBondContact O-N 3Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 2.88Å; G303-V306 PolarHBondContact O-N 3.36Å; G303-F307 WeakPolarHBondContact O-CB 3.1Å; G303-F307 PolarHBondContact O-N 3.35Å; G303-P684 WeakPolarHBondContact CA-O 3.41Å
304	I	93.6	Very high	92.5	Very high	75 Å²	75	52.9 Å²	52.9	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-42	173.4	-68.1	164.4	0	0	0	110.8	S300 V301 V306 F307 L308 L685 A688	S300-I304 WeakPolarHBondContact O-CD1 3.48Å; S300-I304 VanDerWaalsContact O-CG1 3.26Å; S300-I304 WeakPolarHBondContact O-CG1 3.48Å; S300-I304 PolarHBondContact O-N 2.92Å; V301-I304 PolarHBondContact O-N 3.34Å; I304-V306 PolarHBondContact O-N 2.79Å; I304-F307 PolarHBondContact O-N 2.99Å; I304-L308 HydrophobicContact CG2-CD1 3.91Å; I304-L308 HydrophobicContact CG2-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.43Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.47Å; I304-L308 PolarHBondContact O-N 3.38Å; I304-L685 HydrophobicContact CG1-CD2 3.98Å; I304-A688 HydrophobicContact CD1-CB 4.35Å; I304-A688 HydrophobicContact CG1-CB 4.41Å
305	I	93.6	Very high	92.3	Very high	94 Å²	94	52.8 Å²	52.8	48%	0.482	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-44.9	176.8	-68.9	165.9	0	0	0	111	V301 L302 F307 L308 Y309	V301-I305 HydrophobicContact CG1-CD1 3.96Å; V301-I305 VanDerWaalsContact O-CG1 3.32Å; V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 3.35Å; L302-I305 WeakPolarHBondContact O-CB 3.43Å; L302-I305 PolarHBondContact O-N 2.73Å; I305-F307 VanDerWaalsContact C-N 3.31Å; I305-F307 PolarHBondContact O-N 3.28Å; I305-L308 PolarHBondContact O-N 2.77Å; I305-Y309 WeakPolarHBondContact O-CB 3.48Å; I305-Y309 PolarHBondContact O-N 3.36Å
306	V	92.4	Very high	92	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-37.7	177.9	170	0	0	0	0	111.5	L302 G303 I304 Y309 G310 N360 A362 T363 F366 P684	L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 3.2Å; G303-V306 PolarHBondContact O-N 3.36Å; I304-V306 PolarHBondContact O-N 2.79Å; V306-Y309 WeakPolarHBondContact O-CB 3.35Å; V306-G310 PolarHBondContact O-N 3.31Å; V306-G310 VanDerWaalsContact O-N 3.12Å; V306-N360 PolarHBondContact O-ND2 2.9Å; V306-A362 HydrophobicContact CG1-CB 4.15Å; V306-A362 HydrophobicContact CG2-CB 4.32Å; V306-T363 HydrophobicContact CG1-CG2 3.75Å; V306-F366 HydrophobicContact CG2-CB 4.24Å; V306-F366 HydrophobicContact CG2-CG 4.47Å; V306-P684 HydrophobicContact CG1-CB 4.23Å; V306-P684 HydrophobicContact CG1-CG 4.46Å
307	F	91.3	Very high	91.6	Very high	43 Å²	43	57 Å²	57	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-69.1	-44.3	175.4	-176.6	-107.1	0	0	0	112.3	G303 I304 I305 Y309 G310 I311 L357 F358 L685	G303-F307 WeakPolarHBondContact O-CB 3.1Å; G303-F307 PolarHBondContact O-N 3.35Å; I304-F307 PolarHBondContact O-N 2.99Å; I305-F307 VanDerWaalsContact C-N 3.31Å; I305-F307 PolarHBondContact O-N 3.28Å; F307-Y309 VanDerWaalsContact C-N 3.3Å; F307-Y309 PolarHBondContact O-N 3.13Å; F307-G310 PolarHBondContact O-N 3.26Å; F307-G310 VanDerWaalsContact O-N 3.12Å; F307-I311 HydrophobicContact CD1-CD1 3.86Å; F307-I311 HydrophobicContact CE1-CD1 3.48Å; F307-I311 VanDerWaalsContact CE1-CD1 3.48Å; F307-I311 HydrophobicContact CE1-CG1 4.31Å; F307-I311 HydrophobicContact CZ-CD1 4.06Å; F307-I311 PolarHBondContact O-N 3.21Å; F307-L357 HydrophobicContact CE2-CB 4.15Å; F307-F358 HydrophobicContact CD2-CD1 4.15Å; F307-F358 AromaticContact CD2-CE1 3.77Å; F307-F358 HydrophobicContact CD2-CE1 3.77Å; F307-F358 HydrophobicContact CE2-CD1 4.15Å; F307-F358 AromaticContact CE2-CE1 3.44Å; F307-F358 HydrophobicContact CE2-CE1 3.44Å; F307-F358 VanDerWaalsContact CE2-CE1 3.44Å; F307-F358 AromaticContact CE2-CZ 3.77Å; F307-F358 HydrophobicContact CE2-CZ 3.77Å; F307-L685 HydrophobicContact CB-CD1 4.47Å; F307-L685 HydrophobicContact CB-CD2 3.91Å; F307-L685 HydrophobicContact CB-CG 4.13Å; F307-L685 HydrophobicContact CD1-CD1 3.95Å; F307-L685 HydrophobicContact CD1-CD2 4.26Å; F307-L685 HydrophobicContact CD1-CG 4.46Å; F307-L685 HydrophobicContact CD2-CD1 3.84Å; F307-L685 HydrophobicContact CD2-CG 4.23Å; F307-L685 HydrophobicContact CE1-CD1 4.07Å; F307-L685 HydrophobicContact CE2-CD1 4Å; F307-L685 HydrophobicContact CG-CD1 3.82Å; F307-L685 HydrophobicContact CG-CD2 4.07Å; F307-L685 HydrophobicContact CG-CG 4.02Å; F307-L685 HydrophobicContact CZ-CD1 4.1Å
308	L	91.9	Very high	91.3	Very high	89 Å²	89	55.5 Å²	55.5	47%	0.466	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-38.9	174.4	-72.4	173.8	0	0	0	111.6	I304 I305 G310 I311 L312	I304-L308 HydrophobicContact CG2-CD1 3.91Å; I304-L308 HydrophobicContact CG2-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.43Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.47Å; I304-L308 PolarHBondContact O-N 3.38Å; I305-L308 PolarHBondContact O-N 2.77Å; L308-G310 VanDerWaalsContact C-N 3.33Å; L308-G310 PolarHBondContact O-N 3.22Å; L308-I311 HydrophobicContact CD2-CD1 4.4Å; L308-I311 PolarHBondContact O-N 3.35Å; L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.36Å
309	Y	92.1	Very high	90.9	Very high	114 Å²	114	52.6 Å²	52.6	45%	0.447	28%	0.278	S	S	.	.	H	α-helix	trans	-57.5	-46.6	172	175	-98.3	0	0	0	111.3	I305 V306 F307 I311 L312 T313 A362	I305-Y309 WeakPolarHBondContact O-CB 3.48Å; I305-Y309 PolarHBondContact O-N 3.36Å; V306-Y309 WeakPolarHBondContact O-CB 3.35Å; F307-Y309 VanDerWaalsContact C-N 3.3Å; F307-Y309 PolarHBondContact O-N 3.13Å; Y309-I311 VanDerWaalsContact C-N 3.32Å; Y309-I311 PolarHBondContact O-N 3.42Å; Y309-L312 PolarHBondContact O-N 3.02Å; Y309-T313 HydrophobicContact CD2-CG2 4.16Å; Y309-T313 HydrophobicContact CE1-CG2 4.26Å; Y309-T313 HydrophobicContact CE2-CG2 3.72Å; Y309-T313 PolarHBondContact O-N 2.96Å; Y309-T313 PolarHBondContact O-OG1 3.25Å; Y309-T313 VanDerWaalsContact O-OG1 3.13Å; Y309-A362 HydrophobicContact CD1-CB 4.02Å; Y309-A362 HydrophobicContact CE1-CB 4.25Å
310	G	90.3	Very high	90.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-40.5	175.3	0	0	0	0	0	113.3	V306 F307 L308 T313 V314	V306-G310 PolarHBondContact O-N 3.31Å; V306-G310 VanDerWaalsContact O-N 3.12Å; F307-G310 PolarHBondContact O-N 3.26Å; F307-G310 VanDerWaalsContact O-N 3.12Å; L308-G310 VanDerWaalsContact C-N 3.33Å; L308-G310 PolarHBondContact O-N 3.22Å; G310-T313 PolarHBondContact O-N 2.91Å; G310-V314 WeakPolarHBondContact O-CB 3.24Å; G310-V314 PolarHBondContact O-N 3.44Å; G310-V314 VanDerWaalsContact O-N 3.09Å
311	I	91.2	Very high	90.2	Very high	76 Å²	76	57.3 Å²	57.3	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-44.1	175.5	-67	169	0	0	0	111.1	F307 L308 Y309 T313 V314 L357	F307-I311 HydrophobicContact CD1-CD1 3.86Å; F307-I311 HydrophobicContact CE1-CD1 3.48Å; F307-I311 VanDerWaalsContact CE1-CD1 3.48Å; F307-I311 HydrophobicContact CE1-CG1 4.31Å; F307-I311 HydrophobicContact CZ-CD1 4.06Å; F307-I311 PolarHBondContact O-N 3.21Å; L308-I311 HydrophobicContact CD2-CD1 4.4Å; L308-I311 PolarHBondContact O-N 3.35Å; Y309-I311 VanDerWaalsContact C-N 3.32Å; Y309-I311 PolarHBondContact O-N 3.42Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 2.93Å; I311-V314 VanDerWaalsContact O-CG1 3.32Å; I311-V314 WeakPolarHBondContact O-CG1 3.45Å; I311-L357 HydrophobicContact CB-CD2 4.36Å; I311-L357 HydrophobicContact CG1-CD2 3.8Å
312	L	91.3	Very high	89.8	Confident	140 Å²	140	55 Å²	55	73%	0.733	29%	0.285	S	S	*	.	H	α-helix	trans	-69.5	-30.3	-178	-67.7	173.2	0	0	0	112.8	L308 Y309	L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.36Å; Y309-L312 PolarHBondContact O-N 3.02Å
313	T	90.2	Very high	89.4	Confident	22 Å²	22	53.3 Å²	53.3	14%	0.135	28%	0.277	C	S	.	.	H	α-helix	trans	-98.5	-5.6	-176.4	63.4	0	0	0	0	114.4	Y309 G310 I311 D315 T316 N317 Y356	Y309-T313 HydrophobicContact CD2-CG2 4.16Å; Y309-T313 HydrophobicContact CE1-CG2 4.26Å; Y309-T313 HydrophobicContact CE2-CG2 3.72Å; Y309-T313 PolarHBondContact O-N 2.96Å; Y309-T313 PolarHBondContact O-OG1 3.25Å; Y309-T313 VanDerWaalsContact O-OG1 3.13Å; G310-T313 PolarHBondContact O-N 2.91Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 2.93Å; T313-D315 VanDerWaalsContact C-N 3.29Å; T313-D315 PolarHBondContact O-N 3.5Å; T313-T316 PolarHBondContact O-N 2.94Å; T313-T316 PolarHBondContact O-OG1 3.12Å; T313-N317 PolarHBondContact O-N 3.36Å; T313-Y356 VanDerWaalsContact OG1-CE1 3.31Å; T313-Y356 WeakPolarHBondContact OG1-CE1 3.46Å; T313-Y356 PolarHBondContact OG1-OH 2.92Å
314	V	88.8	Confident	89.2	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.121	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-57.1	-41.1	-176.1	72.7	0	0	0	0	112.8	G310 I311 T316 N317 R353 Y356 L357	G310-V314 WeakPolarHBondContact O-CB 3.24Å; G310-V314 PolarHBondContact O-N 3.44Å; G310-V314 VanDerWaalsContact O-N 3.09Å; I311-V314 VanDerWaalsContact O-CG1 3.32Å; I311-V314 WeakPolarHBondContact O-CG1 3.45Å; V314-T316 PolarHBondContact O-N 3.5Å; V314-N317 PolarHBondContact O-N 2.99Å; V314-R353 HydrophobicContact CG2-CB 4.06Å; V314-R353 HydrophobicContact CG2-CG 4.32Å; V314-Y356 HydrophobicContact CB-CD1 4.11Å; V314-Y356 HydrophobicContact CB-CE1 4.49Å; V314-Y356 HydrophobicContact CG2-CD1 4.07Å; V314-L357 HydrophobicContact CB-CD2 4.28Å; V314-L357 HydrophobicContact CG2-CD2 4.41Å
315	D	86.1	Confident	88.9	Confident	104 Å²	104	53.9 Å²	53.9	56%	0.556	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-76.4	-13.2	-178	-69.1	-36.1	0	0	0	112.7	T313 Q321	T313-D315 VanDerWaalsContact C-N 3.29Å; T313-D315 PolarHBondContact O-N 3.5Å; D315-Q321 PolarHBondContact O-NE2 3.39Å
316	T	86.1	Confident	88.4	Confident	99 Å²	99	54.2 Å²	54.2	61%	0.607	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-97.4	-9	178	62.3	0	0	0	0	113.5	T313 V314 V318	T313-T316 PolarHBondContact O-N 2.94Å; T313-T316 PolarHBondContact O-OG1 3.12Å; V314-T316 PolarHBondContact O-N 3.5Å; T316-V318 PolarHBondContact O-N 3.13Å
317	N	85.1	Confident	88	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.128	32%	0.316	C	S	.	.			trans	-79.8	114.2	-175.1	179.7	57.9	0	0	0	111.7	T313 V314 P319 S320 Q321 Y356	T313-N317 PolarHBondContact O-N 3.36Å; V314-N317 PolarHBondContact O-N 2.99Å; N317-P319 WeakPolarHBondContact OD1-CD 3.22Å; N317-S320 WeakPolarHBondContact CB-OG 3.44Å; N317-S320 PolarHBondContact ND2-N 3.05Å; N317-S320 PolarHBondContact ND2-OG 3.05Å; N317-S320 PolarHBondContact O-N 3.4Å; N317-S320 PolarHBondContact O-OG 3.5Å; N317-Q321 WeakPolarHBondContact O-CG 3.32Å; N317-Q321 PolarHBondContact O-N 3.31Å; N317-Q321 VanDerWaalsContact O-N 3.13Å; N317-Y356 HydrophobicContact CB-CD1 4.29Å; N317-Y356 HydrophobicContact CB-CD2 4.1Å; N317-Y356 HydrophobicContact CB-CE1 3.97Å; N317-Y356 HydrophobicContact CB-CE2 3.74Å; N317-Y356 HydrophobicContact CB-CG 4.34Å; N317-Y356 VanDerWaalsContact CG-CD2 3.48Å; N317-Y356 VanDerWaalsContact ND2-CD2 3.26Å; N317-Y356 WeakPolarHBondContact ND2-CD2 3.32Å; N317-Y356 WeakPolarHBondContact OD1-CE2 3.32Å
318	V	87.6	Confident	87.3	Confident	50 Å²	50	62 Å²	62	30%	0.303	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-48	-174.3	179.6	0	0	0	0	113	T316 S320 Q321 E322 M764	T316-V318 PolarHBondContact O-N 3.13Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 3.06Å; V318-Q321 WeakPolarHBondContact O-CB 3.5Å; V318-Q321 PolarHBondContact O-N 3.24Å; V318-Q321 VanDerWaalsContact O-N 3.12Å; V318-E322 HydrophobicContact CG1-CG 4.27Å; V318-E322 WeakPolarHBondContact O-CG 3.35Å; V318-E322 PolarHBondContact O-N 3.04Å; V318-M764 HydrophobicContact CB-CB 4.28Å
319	P	85.8	Confident	86.9	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-34.8	179	-27.8	36.8	0	0	0	114.9	N317 T323 M764 Y767 T768	N317-P319 WeakPolarHBondContact OD1-CD 3.22Å; P319-T323 WeakPolarHBondContact O-CB 3.19Å; P319-T323 PolarHBondContact O-N 2.89Å; P319-T323 VanDerWaalsContact O-N 3.09Å; P319-T323 PolarHBondContact O-OG1 3.48Å; P319-M764 HydrophobicContact CG-CB 4.3Å; P319-Y767 HydrophobicContact CB-CD1 3.97Å; P319-Y767 HydrophobicContact CG-CD1 3.98Å; P319-T768 HydrophobicContact CB-CG2 4.47Å; P319-T768 WeakPolarHBondContact O-CG2 3.34Å
320	S	86.4	Confident	86.4	Confident	6 Å²	6	58 Å²	58	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-74.2	-34.1	176.3	41.5	0	0	0	0	112.1	N317 V318 T323 C324	N317-S320 WeakPolarHBondContact CB-OG 3.44Å; N317-S320 PolarHBondContact ND2-N 3.05Å; N317-S320 PolarHBondContact ND2-OG 3.05Å; N317-S320 PolarHBondContact O-N 3.4Å; N317-S320 PolarHBondContact O-OG 3.5Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 3.06Å; S320-T323 PolarHBondContact O-N 2.96Å; S320-C324 WeakPolarHBondContact O-CB 3.34Å; S320-C324 PolarHBondContact O-N 2.98Å; S320-C324 VanDerWaalsContact O-N 3.15Å; S320-C324 PolarHBondContact O-SG 3.38Å
321	Q	88.3	Confident	86.2	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-47.5	172.4	-70.2	179.9	-12.8	0	0	111.1	D315 N317 V318 T323 C324 D325	D315-Q321 PolarHBondContact O-NE2 3.39Å; N317-Q321 WeakPolarHBondContact O-CG 3.32Å; N317-Q321 PolarHBondContact O-N 3.31Å; N317-Q321 VanDerWaalsContact O-N 3.13Å; V318-Q321 WeakPolarHBondContact O-CB 3.5Å; V318-Q321 PolarHBondContact O-N 3.24Å; V318-Q321 VanDerWaalsContact O-N 3.12Å; Q321-T323 VanDerWaalsContact C-N 3.29Å; Q321-T323 PolarHBondContact O-N 3.18Å; Q321-C324 CarbonylContact O-C 3.57Å; Q321-C324 WeakPolarHBondContact O-CA 3.32Å; Q321-C324 PolarHBondContact O-N 3.26Å; Q321-D325 PolarHBondContact O-N 3.47Å
322	E	87.3	Confident	85.8	Confident	30 Å²	30	56.1 Å²	56.1	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-38.1	177	-70.7	178.7	177.3	0	0	112.2	V318 C324 D325 L328 S765 G766 T768	V318-E322 HydrophobicContact CG1-CG 4.27Å; V318-E322 WeakPolarHBondContact O-CG 3.35Å; V318-E322 PolarHBondContact O-N 3.04Å; E322-C324 PolarHBondContact O-N 3.4Å; E322-D325 PolarHBondContact O-N 2.91Å; E322-L328 HydrophobicContact CB-CD1 4.32Å; E322-L328 WeakPolarHBondContact O-CD1 3.45Å; E322-S765 WeakPolarHBondContact OE1-CA 3.33Å; E322-G766 PolarHBondContact OE1-N 2.92Å; E322-T768 HydrophobicContact CB-CG2 3.65Å; E322-T768 WeakPolarHBondContact CB-OG1 3.25Å; E322-T768 WeakPolarHBondContact OE2-CB 3.4Å; E322-T768 WeakPolarHBondContact OE2-CG2 3.36Å; E322-T768 PolarHBondContact OE2-N 2.65Å; E322-T768 PolarHBondContact OE2-OG1 2.85Å
323	T	85.7	Confident	85.4	Confident	20 Å²	20	49.5 Å²	49.5	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-29.1	175.9	-54.8	0	0	0	0	112.1	P319 S320 Q321 L345 S346 A352	P319-T323 WeakPolarHBondContact O-CB 3.19Å; P319-T323 PolarHBondContact O-N 2.89Å; P319-T323 VanDerWaalsContact O-N 3.09Å; P319-T323 PolarHBondContact O-OG1 3.48Å; S320-T323 PolarHBondContact O-N 2.96Å; Q321-T323 VanDerWaalsContact C-N 3.29Å; Q321-T323 PolarHBondContact O-N 3.18Å; T323-L345 HydrophobicContact CG2-CD1 4.17Å; T323-L345 HydrophobicContact CG2-CD2 4.38Å; T323-L345 HydrophobicContact CG2-CG 3.97Å; T323-S346 WeakPolarHBondContact O-CA 3.37Å; T323-A352 HydrophobicContact CG2-CB 3.7Å
324	C	87.8	Confident	85	Confident	23 Å²	23	48.6 Å²	48.6	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-93.1	-4.3	-179.4	-66.4	0	0	0	0	113.7	S320 Q321 E322 D326 C349 R353	S320-C324 WeakPolarHBondContact O-CB 3.34Å; S320-C324 PolarHBondContact O-N 2.98Å; S320-C324 VanDerWaalsContact O-N 3.15Å; S320-C324 PolarHBondContact O-SG 3.38Å; Q321-C324 CarbonylContact O-C 3.57Å; Q321-C324 WeakPolarHBondContact O-CA 3.32Å; Q321-C324 PolarHBondContact O-N 3.26Å; E322-C324 PolarHBondContact O-N 3.4Å; C324-D326 PolarHBondContact O-N 3.23Å; C324-C349 HydrophobicContact CB-CB 3.9Å; C324-C349 WeakPolarHBondContact CB-SG 3.35Å; C324-C349 VanDerWaalsContact SG-CA 3.59Å; C324-C349 WeakPolarHBondContact SG-CB 3.42Å; C324-C349 CovalentContact SG-SG 2.03Å; C324-C349 PolarHBondContact SG-SG 3.28Å; C324-R353 PolarHBondContact SG-NE 3.5Å
325	D	87.5	Confident	84.3	Confident	65 Å²	65	50.7 Å²	50.7	35%	0.348	28%	0.276	S	S	.	.			trans	-81.5	113.1	-179.3	-172.9	6.1	0	0	0	110.6	Q321 E322 N327 L328	Q321-D325 PolarHBondContact O-N 3.47Å; E322-D325 PolarHBondContact O-N 2.91Å; D325-N327 PolarHBondContact O-N 3.47Å; D325-N327 WeakPolarHBondContact OD1-CB 3.49Å; D325-N327 PolarHBondContact OD1-N 3.03Å; D325-N327 PolarHBondContact OD1-ND2 3Å; D325-L328 HydrophobicContact CB-CD1 4.08Å; D325-L328 HydrophobicContact CB-CG 4.41Å
326	D	82.8	Confident	83.8	Confident	100 Å²	100	46.4 Å²	46.4	54%	0.535	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68.9	-19.5	178.4	-74.7	-43.1	0	0	0	112.7	C324 L328 N329 S346	C324-D326 PolarHBondContact O-N 3.23Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.31Å; D326-N329 PolarHBondContact O-N 3.36Å; D326-N329 PolarHBondContact O-OD1 2.88Å; D326-S346 WeakPolarHBondContact OD1-CB 3.39Å; D326-S346 PolarHBondContact OD1-OG 3.11Å
327	N	84.4	Confident	83.4	Confident	134 Å²	134	43.8 Å²	43.8	72%	0.717	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-70.4	-26.7	-176.8	-62	-53.1	0	0	0	113.2	D325 N329	D325-N327 PolarHBondContact O-N 3.47Å; D325-N327 WeakPolarHBondContact OD1-CB 3.49Å; D325-N327 PolarHBondContact OD1-N 3.03Å; D325-N327 PolarHBondContact OD1-ND2 3Å; N327-N329 PolarHBondContact O-N 3.28Å
328	L	77.1	Confident	82.9	Confident	82 Å²	82	44 Å²	44	43%	0.429	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.3	-13.9	-177.7	-68.3	167.9	0	0	0	112.9	E322 D325 D326 I330	E322-L328 HydrophobicContact CB-CD1 4.32Å; E322-L328 WeakPolarHBondContact O-CD1 3.45Å; D325-L328 HydrophobicContact CB-CD1 4.08Å; D325-L328 HydrophobicContact CB-CG 4.41Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.31Å; L328-I330 HydrophobicContact CB-CD1 4.06Å; L328-I330 HydrophobicContact CB-CG1 4.02Å; L328-I330 WeakPolarHBondContact O-CG1 3.47Å; L328-I330 PolarHBondContact O-N 3.37Å
329	N	82.6	Confident	82.3	Confident	102 Å²	102	43.7 Å²	43.7	55%	0.545	24%	0.24	S	C	.	.			trans	43.4	38.2	174.7	-81	-34.3	0	0	0	114.8	D326 N327 T331	D326-N329 PolarHBondContact O-N 3.36Å; D326-N329 PolarHBondContact O-OD1 2.88Å; N327-N329 PolarHBondContact O-N 3.28Å; N329-T331 PolarHBondContact O-N 2.99Å
330	I	83.2	Confident	81.9	Confident	18 Å²	18	44.8 Å²	44.8	9%	0.092	25%	0.247	C	C	.	.			trans	-75.3	114.8	-176.8	-59.4	171.9	0	0	0	110	L328 M332 L345 L772 R798	L328-I330 HydrophobicContact CB-CD1 4.06Å; L328-I330 HydrophobicContact CB-CG1 4.02Å; L328-I330 WeakPolarHBondContact O-CG1 3.47Å; L328-I330 PolarHBondContact O-N 3.37Å; I330-M332 HydrophobicContact CG2-SD 4.3Å; I330-L345 HydrophobicContact CB-CB 4.2Å; I330-L345 HydrophobicContact CB-CD2 4.47Å; I330-L345 HydrophobicContact CD1-CD2 4.08Å; I330-L345 HydrophobicContact CG2-CB 4.39Å; I330-L345 HydrophobicContact CG2-CD2 4.45Å; I330-L345 PolarHBondContact O-N 2.84Å; I330-L772 HydrophobicContact CD1-CD1 4.47Å; I330-L772 HydrophobicContact CG2-CD1 4.02Å; I330-R798 HydrophobicContact CG2-CB 4.46Å; I330-R798 HydrophobicContact CG2-CG 4.42Å
331	T	85.8	Confident	81.5	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.209	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.7	176.5	49.1	0	0	0	0	111.6	N329 R798	N329-T331 PolarHBondContact O-N 2.99Å; T331-R798 PolarHBondContact O-N 2.91Å
332	M	83	Confident	81.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.7	177.8	-59	-65.2	-67.8	0	0	111.4	I330 W343 L345 P584 L772 R798 R799	I330-M332 HydrophobicContact CG2-SD 4.3Å; M332-W343 WeakPolarHBondContact CA-O 3.41Å; M332-W343 HydrophobicContact CB-CD2 3.67Å; M332-W343 HydrophobicContact CB-CE3 4.15Å; M332-W343 HydrophobicContact CB-CG 4.11Å; M332-W343 HydrophobicContact CB-CH2 4.32Å; M332-W343 HydrophobicContact CB-CZ2 3.78Å; M332-W343 HydrophobicContact CB-CZ3 4.43Å; M332-W343 WeakPolarHBondContact CB-O 3.34Å; M332-W343 HydrophobicContact CE-CZ2 4.36Å; M332-W343 HydrophobicContact CG-CD2 4.16Å; M332-W343 HydrophobicContact CG-CE3 4.13Å; M332-W343 HydrophobicContact CG-CH2 4.09Å; M332-W343 HydrophobicContact CG-CZ2 4.04Å; M332-W343 HydrophobicContact CG-CZ3 4.06Å; M332-W343 PolarHBondContact N-O 3.04Å; M332-W343 PolarHBondContact O-N 3.35Å; M332-L345 HydrophobicContact CG-CB 4.33Å; M332-L345 HydrophobicContact SD-CD1 4.33Å; M332-P584 HydrophobicContact CE-CG 4.05Å; M332-L772 HydrophobicContact CE-CD2 4.08Å; M332-L772 HydrophobicContact SD-CD2 4.29Å; M332-R798 CarbonylContact C-O 3.6Å; M332-R798 WeakPolarHBondContact CA-O 3.49Å; M332-R798 HydrophobicContact SD-CB 4.31Å; M332-R799 WeakPolarHBondContact CE-O 3.4Å
333	C	82.9	Confident	80.8	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.014	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.2	157.8	176.2	-56	0	0	0	0	112.3	W343 C797 R798 R799	C333-W343 PolarHBondContact O-NE1 3.25Å; C333-C797 HydrophobicContact CB-CB 3.94Å; C333-C797 WeakPolarHBondContact CB-SG 3.29Å; C333-C797 WeakPolarHBondContact SG-CB 3.36Å; C333-C797 PolarHBondContact SG-O 3.31Å; C333-C797 CovalentContact SG-SG 2.03Å; C333-C797 PolarHBondContact SG-SG 2.69Å; C333-R798 PolarHBondContact N-O 2.99Å; C333-R799 HydrophobicContact CB-CB 3.78Å; C333-R799 HydrophobicContact CB-CG 3.31Å; C333-R799 VanDerWaalsContact SG-CA 3.55Å; C333-R799 WeakPolarHBondContact SG-CB 3.4Å; C333-R799 VanDerWaalsContact SG-CG 3.57Å
334	P	80.1	Confident	80.8	Confident	2 Å²	2	48 Å²	48	1%	0.013	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.6	145.9	-177	28.2	-37.1	0	0	0	113.4	C340 Y342 R578	P334-C340 HydrophobicContact CB-CB 4.02Å; P334-C340 WeakPolarHBondContact CB-O 3.45Å; P334-Y342 HydrophobicContact CG-CE1 4.5Å; P334-R578 PolarHBondContact O-NH1 3.33Å; P334-R578 PolarHBondContact O-NH2 2.87Å
335	L	74.8	Confident	80.6	Confident	64 Å²	64	47.4 Å²	47.4	34%	0.335	25%	0.248	S	C	.	.	S	Bend	trans	-88.4	-16.7	-176.2	-65.3	168.3	0	0	0	113.5	W343 R578	L335-W343 HydrophobicContact CD1-CZ2 4.39Å; L335-W343 HydrophobicContact CD2-CZ2 4.47Å; L335-R578 VanDerWaalsContact C-NH1 3.31Å; L335-R578 PolarHBondContact O-NH1 3.11Å
336	C	76.2	Confident	80.4	Confident	14 Å²	14	45.6 Å²	45.6	10%	0.095	24%	0.241	C	C	.	.	S	Bend	trans	-133.3	164.8	176.2	75.6	0	0	0	0	111.3	C340	C336-C340 HydrophobicContact CB-CB 4.02Å; C336-C340 WeakPolarHBondContact CB-SG 3.47Å; C336-C340 PolarHBondContact N-SG 3.28Å; C336-C340 VanDerWaalsContact SG-CA 3.6Å; C336-C340 WeakPolarHBondContact SG-CB 3.43Å; C336-C340 PolarHBondContact SG-N 3.15Å; C336-C340 CovalentContact SG-SG 2.01Å; C336-C340 PolarHBondContact SG-SG 2.91Å
337	D	78.1	Confident	80.3	Confident	44 Å²	44	44.5 Å²	44.5	24%	0.235	24%	0.241	C	C	.	.	S	Bend	trans	-85	136.9	-176.1	-63.4	-1.1	0	0	0	109.5	V339 Y572 R578	D337-V339 PolarHBondContact O-N 3.01Å; D337-Y572 WeakPolarHBondContact OD2-CE1 3.3Å; D337-Y572 PolarHBondContact OD2-OH 3.25Å; D337-R578 IonicContact OD1-NH1 3.61Å; D337-R578 PolarHBondContact OD1-NH1 3.23Å
338	A	74.3	Confident	80.1	Confident	28 Å²	28	38.1 Å²	38.1	23%	0.231	21%	0.207	C	C	.	.	S	Bend	trans	62.9	-38.7	177.6	0	0	0	0	0	118.6	T784 A785 T787	A338-T784 PolarHBondContact N-O 3.13Å; A338-A785 WeakPolarHBondContact CA-O 3.2Å; A338-T787 HydrophobicContact CB-CG2 4.21Å; A338-T787 PolarHBondContact O-N 3.18Å; A338-T787 PolarHBondContact O-OG1 2.95Å
339	V	74.2	Confident	80.5	Confident	45 Å²	45	35.5 Å²	35.5	27%	0.273	20%	0.195	S	C	.	.	S	Bend	trans	-99.3	-24.5	-167.7	-174	0	0	0	0	113.4	D337 S480 M481	D337-V339 PolarHBondContact O-N 3.01Å; V339-S480 WeakPolarHBondContact CG1-O 3.48Å; V339-M481 HydrophobicContact CG1-CG 4.3Å; V339-M481 HydrophobicContact CG2-CG 4.22Å
340	C	76.8	Confident	80.6	Confident	28 Å²	28	35.1 Å²	35.1	19%	0.189	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-89.6	130.5	-177.1	-71.5	0	0	0	0	112.3	P334 C336 P786	P334-C340 HydrophobicContact CB-CB 4.02Å; P334-C340 WeakPolarHBondContact CB-O 3.45Å; C336-C340 HydrophobicContact CB-CB 4.02Å; C336-C340 WeakPolarHBondContact CB-SG 3.47Å; C336-C340 PolarHBondContact N-SG 3.28Å; C336-C340 VanDerWaalsContact SG-CA 3.6Å; C336-C340 WeakPolarHBondContact SG-CB 3.43Å; C336-C340 PolarHBondContact SG-N 3.15Å; C336-C340 CovalentContact SG-SG 2.01Å; C336-C340 PolarHBondContact SG-SG 2.91Å; C340-P786 WeakPolarHBondContact O-CB 3.45Å
341	D	78.4	Confident	80.5	Confident	34 Å²	34	35.9 Å²	35.9	18%	0.182	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-78.8	166.3	173.7	-77.9	30.9	0	0	0	112.8	T788 L790	D341-T788 PolarHBondContact OD1-OG1 3.43Å; D341-L790 WeakPolarHBondContact OD2-CB 3.31Å; D341-L790 WeakPolarHBondContact OD2-CD1 3.49Å; D341-L790 WeakPolarHBondContact OD2-CG 3.42Å; D341-L790 PolarHBondContact OD2-N 2.75Å
342	Y	81.4	Confident	80.4	Confident	20 Å²	20	34.7 Å²	34.7	8%	0.078	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.5	147	164.9	-60.4	-76.8	0	0	0	110.7	P334 V777 P786 T789 V794 C797	P334-Y342 HydrophobicContact CG-CE1 4.5Å; Y342-V777 HydrophobicContact CE1-CG2 4.39Å; Y342-V777 WeakPolarHBondContact OH-CG1 3.3Å; Y342-P786 HydrophobicContact CD2-CG 4.39Å; Y342-P786 HydrophobicContact CE2-CG 3.69Å; Y342-T789 HydrophobicContact CD2-CG2 4.06Å; Y342-T789 HydrophobicContact CE2-CG2 3.84Å; Y342-V794 HydrophobicContact CD1-CG1 4.47Å; Y342-V794 HydrophobicContact CD2-CG2 4.35Å; Y342-V794 HydrophobicContact CE1-CG1 4.42Å; Y342-V794 HydrophobicContact CE2-CB 4.48Å; Y342-C797 HydrophobicContact CD1-CB 4.01Å; Y342-C797 HydrophobicContact CE1-CB 3.79Å
343	W	80.8	Confident	80.6	Confident	37 Å²	37	39.9 Å²	39.9	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.2	-177.1	60.2	-79.5	0	0	0	111.4	M332 C333 L335 V348 P584	M332-W343 WeakPolarHBondContact CA-O 3.41Å; M332-W343 HydrophobicContact CB-CD2 3.67Å; M332-W343 HydrophobicContact CB-CE3 4.15Å; M332-W343 HydrophobicContact CB-CG 4.11Å; M332-W343 HydrophobicContact CB-CH2 4.32Å; M332-W343 HydrophobicContact CB-CZ2 3.78Å; M332-W343 HydrophobicContact CB-CZ3 4.43Å; M332-W343 WeakPolarHBondContact CB-O 3.34Å; M332-W343 HydrophobicContact CE-CZ2 4.36Å; M332-W343 HydrophobicContact CG-CD2 4.16Å; M332-W343 HydrophobicContact CG-CE3 4.13Å; M332-W343 HydrophobicContact CG-CH2 4.09Å; M332-W343 HydrophobicContact CG-CZ2 4.04Å; M332-W343 HydrophobicContact CG-CZ3 4.06Å; M332-W343 PolarHBondContact N-O 3.04Å; M332-W343 PolarHBondContact O-N 3.35Å; C333-W343 PolarHBondContact O-NE1 3.25Å; L335-W343 HydrophobicContact CD1-CZ2 4.39Å; L335-W343 HydrophobicContact CD2-CZ2 4.47Å; W343-V348 HydrophobicContact CE3-CG2 4.17Å; W343-V348 HydrophobicContact CH2-CG2 3.97Å; W343-V348 HydrophobicContact CZ3-CB 4.33Å; W343-V348 HydrophobicContact CZ3-CG2 3.37Å; W343-P584 HydrophobicContact CH2-CG 3.36Å; W343-P584 HydrophobicContact CZ2-CG 4.04Å; W343-P584 HydrophobicContact CZ3-CG 4.31Å
344	R	84.7	Confident	80.8	Confident	130 Å²	130	41.2 Å²	41.2	49%	0.491	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.6	-178.8	-65.3	-175.7	-177.5	-174.7	0	111.4	S346 S347	R344-S346 VanDerWaalsContact C-N 3.26Å; R344-S346 PolarHBondContact O-N 3.17Å; R344-S347 WeakPolarHBondContact O-CB 3.27Å; R344-S347 PolarHBondContact O-N 3.35Å; R344-S347 VanDerWaalsContact O-N 3.16Å; R344-S347 PolarHBondContact O-OG 3.17Å
345	L	83.3	Confident	81	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.063	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58	-36.8	-179.9	-176.2	61.8	0	0	0	113	T323 I330 M332 S347 V348 P584 L772	T323-L345 HydrophobicContact CG2-CD1 4.17Å; T323-L345 HydrophobicContact CG2-CD2 4.38Å; T323-L345 HydrophobicContact CG2-CG 3.97Å; I330-L345 HydrophobicContact CB-CB 4.2Å; I330-L345 HydrophobicContact CB-CD2 4.47Å; I330-L345 HydrophobicContact CD1-CD2 4.08Å; I330-L345 HydrophobicContact CG2-CB 4.39Å; I330-L345 HydrophobicContact CG2-CD2 4.45Å; I330-L345 PolarHBondContact O-N 2.84Å; M332-L345 HydrophobicContact CG-CB 4.33Å; M332-L345 HydrophobicContact SD-CD1 4.33Å; L345-S347 PolarHBondContact O-N 2.95Å; L345-S347 VanDerWaalsContact O-N 3.15Å; L345-V348 PolarHBondContact O-N 2.86Å; L345-V348 VanDerWaalsContact O-N 3.08Å; L345-P584 HydrophobicContact CD1-CB 4.21Å; L345-P584 HydrophobicContact CD1-CG 4.3Å; L345-L772 HydrophobicContact CD2-CD1 4.25Å
346	S	83.4	Confident	81.6	Confident	27 Å²	27	39.4 Å²	39.4	19%	0.189	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.7	-21	-179.5	62.4	0	0	0	0	114.6	T323 D326 R344 V348 C349	T323-S346 WeakPolarHBondContact O-CA 3.37Å; D326-S346 WeakPolarHBondContact OD1-CB 3.39Å; D326-S346 PolarHBondContact OD1-OG 3.11Å; R344-S346 VanDerWaalsContact C-N 3.26Å; R344-S346 PolarHBondContact O-N 3.17Å; S346-V348 PolarHBondContact O-N 3.43Å; S346-V348 VanDerWaalsContact O-N 3.11Å; S346-C349 WeakPolarHBondContact O-CB 3.38Å; S346-C349 PolarHBondContact O-N 2.61Å; S346-C349 VanDerWaalsContact O-N 3.09Å
347	S	81.1	Confident	82.1	Confident	76 Å²	76	40.4 Å²	40.4	53%	0.531	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62.7	-18	174.1	67.5	0	0	0	0	113.5	R344 L345	R344-S347 WeakPolarHBondContact O-CB 3.27Å; R344-S347 PolarHBondContact O-N 3.35Å; R344-S347 VanDerWaalsContact O-N 3.16Å; R344-S347 PolarHBondContact O-OG 3.17Å; L345-S347 PolarHBondContact O-N 2.95Å; L345-S347 VanDerWaalsContact O-N 3.15Å
348	V	79.3	Confident	82.3	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-106.2	14	-179.2	-172.3	0	0	0	0	111.6	W343 L345 S346 S350 L351 A352 P585	W343-V348 HydrophobicContact CE3-CG2 4.17Å; W343-V348 HydrophobicContact CH2-CG2 3.97Å; W343-V348 HydrophobicContact CZ3-CB 4.33Å; W343-V348 HydrophobicContact CZ3-CG2 3.37Å; L345-V348 PolarHBondContact O-N 2.86Å; L345-V348 VanDerWaalsContact O-N 3.08Å; S346-V348 PolarHBondContact O-N 3.43Å; S346-V348 VanDerWaalsContact O-N 3.11Å; V348-S350 PolarHBondContact O-N 2.76Å; V348-L351 HydrophobicContact CG1-CB 3.66Å; V348-L351 HydrophobicContact CG1-CD2 3.67Å; V348-L351 HydrophobicContact CG1-CG 4.23Å; V348-L351 PolarHBondContact O-N 3.44Å; V348-A352 PolarHBondContact O-N 3.35Å; V348-P585 HydrophobicContact CG1-CG 3.94Å
349	C	86.2	Confident	82.8	Confident	27 Å²	27	38.6 Å²	38.6	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-53.5	-44.8	178.9	170.1	0	0	0	0	113.6	C324 S346 L351 A352 R353	C324-C349 HydrophobicContact CB-CB 3.9Å; C324-C349 WeakPolarHBondContact CB-SG 3.35Å; C324-C349 VanDerWaalsContact SG-CA 3.59Å; C324-C349 WeakPolarHBondContact SG-CB 3.42Å; C324-C349 CovalentContact SG-SG 2.03Å; C324-C349 PolarHBondContact SG-SG 3.28Å; S346-C349 WeakPolarHBondContact O-CB 3.38Å; S346-C349 PolarHBondContact O-N 2.61Å; S346-C349 VanDerWaalsContact O-N 3.09Å; C349-L351 VanDerWaalsContact C-N 3.33Å; C349-L351 PolarHBondContact O-N 3.47Å; C349-A352 PolarHBondContact O-N 2.87Å; C349-R353 WeakPolarHBondContact O-CG 3.48Å; C349-R353 PolarHBondContact O-N 3.26Å
350	S	84.4	Confident	83.4	Confident	93 Å²	93	36.7 Å²	36.7	65%	0.65	20%	0.195	S	C	*	.	H	α-helix	trans	-60.8	-42	179.7	55.5	0	0	0	0	112.4	V348 A354	V348-S350 PolarHBondContact O-N 2.76Å; S350-A354 WeakPolarHBondContact O-CB 3.38Å; S350-A354 PolarHBondContact O-N 3.01Å
351	L	81.4	Confident	83.8	Confident	35 Å²	35	37.4 Å²	37.4	18%	0.183	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-39.7	176.3	-167.2	70.6	0	0	0	110.9	V348 C349 A354 S355 A583 P585 I589	V348-L351 HydrophobicContact CG1-CB 3.66Å; V348-L351 HydrophobicContact CG1-CD2 3.67Å; V348-L351 HydrophobicContact CG1-CG 4.23Å; V348-L351 PolarHBondContact O-N 3.44Å; C349-L351 VanDerWaalsContact C-N 3.33Å; C349-L351 PolarHBondContact O-N 3.47Å; L351-A354 PolarHBondContact O-N 3.13Å; L351-S355 WeakPolarHBondContact O-CB 3.4Å; L351-S355 PolarHBondContact O-N 3.1Å; L351-A583 HydrophobicContact CD2-CB 3.56Å; L351-P585 HydrophobicContact CB-CG 4.18Å; L351-P585 HydrophobicContact CD2-CG 3.77Å; L351-P585 HydrophobicContact CG-CG 3.82Å; L351-I589 HydrophobicContact CD1-CB 4.17Å; L351-I589 HydrophobicContact CD1-CD1 3.38Å; L351-I589 HydrophobicContact CD1-CG1 4.44Å; L351-I589 HydrophobicContact CD1-CG2 3.92Å; L351-I589 HydrophobicContact CG-CD1 3.7Å; L351-I589 WeakPolarHBondContact O-CD1 3.46Å
352	A	83.8	Confident	84.4	Confident	9 Å²	9	36.8 Å²	36.8	7%	0.074	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-42.6	176.8	0	0	0	0	0	112.7	T323 V348 C349 S355 Y356 P585	T323-A352 HydrophobicContact CG2-CB 3.7Å; V348-A352 PolarHBondContact O-N 3.35Å; C349-A352 PolarHBondContact O-N 2.87Å; A352-S355 WeakPolarHBondContact O-CB 3.41Å; A352-S355 PolarHBondContact O-N 3.1Å; A352-Y356 PolarHBondContact O-N 3.01Å; A352-P585 HydrophobicContact CB-CB 4.06Å; A352-P585 HydrophobicContact CB-CG 4.44Å
353	R	87.7	Confident	84.8	Confident	110 Å²	110	35.9 Å²	35.9	42%	0.415	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-44.9	174.2	-71.4	-176.3	179.1	-167.8	-0.9	111.8	V314 C324 C349 S355 Y356 L357	V314-R353 HydrophobicContact CG2-CB 4.06Å; V314-R353 HydrophobicContact CG2-CG 4.32Å; C324-R353 PolarHBondContact SG-NE 3.5Å; C349-R353 WeakPolarHBondContact O-CG 3.48Å; C349-R353 PolarHBondContact O-N 3.26Å; R353-S355 VanDerWaalsContact C-N 3.29Å; R353-S355 PolarHBondContact O-N 3.48Å; R353-Y356 PolarHBondContact O-N 3.27Å; R353-L357 PolarHBondContact O-N 2.88Å
354	A	85.7	Confident	85.2	Confident	29 Å²	29	34.8 Å²	34.8	24%	0.24	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-34.1	176.3	0	0	0	0	0	112.6	S350 L351 Y356 L357 F358 I589	S350-A354 WeakPolarHBondContact O-CB 3.38Å; S350-A354 PolarHBondContact O-N 3.01Å; L351-A354 PolarHBondContact O-N 3.13Å; A354-Y356 VanDerWaalsContact C-N 3.33Å; A354-Y356 PolarHBondContact O-N 3.33Å; A354-L357 WeakPolarHBondContact O-CB 3.22Å; A354-L357 PolarHBondContact O-N 3.25Å; A354-F358 WeakPolarHBondContact O-CD2 3.46Å; A354-I589 HydrophobicContact CB-CD1 3.91Å
355	S	85.5	Confident	85.5	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-44.1	179.5	-161.8	0	0	0	0	110.3	L351 A352 R353 L357 F358 D359 P585 I589	L351-S355 WeakPolarHBondContact O-CB 3.4Å; L351-S355 PolarHBondContact O-N 3.1Å; A352-S355 WeakPolarHBondContact O-CB 3.41Å; A352-S355 PolarHBondContact O-N 3.1Å; R353-S355 VanDerWaalsContact C-N 3.29Å; R353-S355 PolarHBondContact O-N 3.48Å; S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact O-N 3.05Å; S355-F358 PolarHBondContact O-N 3.39Å; S355-D359 WeakPolarHBondContact O-CB 3.46Å; S355-D359 PolarHBondContact O-N 3.05Å; S355-P585 PolarHBondContact OG-O 3.14Å; S355-P585 VanDerWaalsContact OG-O 3.08Å; S355-I589 VanDerWaalsContact N-CD1 3.31Å
356	Y	87.5	Confident	86	Confident	25 Å²	25	34 Å²	34	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-28.2	179.9	-178.6	-97.3	0	0	0	113.8	T313 V314 N317 A352 R353 A354 F358 D359	T313-Y356 VanDerWaalsContact OG1-CE1 3.31Å; T313-Y356 WeakPolarHBondContact OG1-CE1 3.46Å; T313-Y356 PolarHBondContact OG1-OH 2.92Å; V314-Y356 HydrophobicContact CB-CD1 4.11Å; V314-Y356 HydrophobicContact CB-CE1 4.49Å; V314-Y356 HydrophobicContact CG2-CD1 4.07Å; N317-Y356 HydrophobicContact CB-CD1 4.29Å; N317-Y356 HydrophobicContact CB-CD2 4.1Å; N317-Y356 HydrophobicContact CB-CE1 3.97Å; N317-Y356 HydrophobicContact CB-CE2 3.74Å; N317-Y356 HydrophobicContact CB-CG 4.34Å; N317-Y356 VanDerWaalsContact CG-CD2 3.48Å; N317-Y356 VanDerWaalsContact ND2-CD2 3.26Å; N317-Y356 WeakPolarHBondContact ND2-CD2 3.32Å; N317-Y356 WeakPolarHBondContact OD1-CE2 3.32Å; A352-Y356 PolarHBondContact O-N 3.01Å; R353-Y356 PolarHBondContact O-N 3.27Å; A354-Y356 VanDerWaalsContact C-N 3.33Å; A354-Y356 PolarHBondContact O-N 3.33Å; Y356-F358 PolarHBondContact O-N 2.95Å; Y356-D359 CarbonylContact O-C 3.2Å; Y356-D359 PolarHBondContact O-N 3.13Å
357	L	85.4	Confident	86.4	Confident	35 Å²	35	32.7 Å²	32.7	18%	0.183	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-34.5	175.5	-62.8	178	0	0	0	111.9	F307 I311 V314 R353 A354 S355 N360	F307-L357 HydrophobicContact CE2-CB 4.15Å; I311-L357 HydrophobicContact CB-CD2 4.36Å; I311-L357 HydrophobicContact CG1-CD2 3.8Å; V314-L357 HydrophobicContact CB-CD2 4.28Å; V314-L357 HydrophobicContact CG2-CD2 4.41Å; R353-L357 PolarHBondContact O-N 2.88Å; A354-L357 WeakPolarHBondContact O-CB 3.22Å; A354-L357 PolarHBondContact O-N 3.25Å; S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact O-N 3.05Å; L357-N360 PolarHBondContact O-ND2 3.45Å
358	F	82.9	Confident	86.8	Confident	31 Å²	31	30.9 Å²	30.9	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-102.5	-25	-178.9	-56.4	-65.4	0	0	0	113.1	F307 A354 S355 Y356 T363 L588 F683 P684 L685	F307-F358 HydrophobicContact CD2-CD1 4.15Å; F307-F358 AromaticContact CD2-CE1 3.77Å; F307-F358 HydrophobicContact CD2-CE1 3.77Å; F307-F358 HydrophobicContact CE2-CD1 4.15Å; F307-F358 AromaticContact CE2-CE1 3.44Å; F307-F358 HydrophobicContact CE2-CE1 3.44Å; F307-F358 VanDerWaalsContact CE2-CE1 3.44Å; F307-F358 AromaticContact CE2-CZ 3.77Å; F307-F358 HydrophobicContact CE2-CZ 3.77Å; A354-F358 WeakPolarHBondContact O-CD2 3.46Å; S355-F358 PolarHBondContact O-N 3.39Å; Y356-F358 PolarHBondContact O-N 2.95Å; F358-T363 WeakPolarHBondContact O-CG2 3.39Å; F358-L588 HydrophobicContact CB-CD2 3.92Å; F358-F683 HydrophobicContact CD1-CD2 4.19Å; F358-F683 AromaticContact CE1-CD2 3.95Å; F358-F683 HydrophobicContact CE1-CD2 3.95Å; F358-F683 AromaticContact CE1-CE2 3.87Å; F358-F683 HydrophobicContact CE1-CE2 3.87Å; F358-F683 HydrophobicContact CZ-CE2 4.42Å; F358-P684 HydrophobicContact CD1-CG 4.34Å; F358-L685 HydrophobicContact CE1-CD1 4.44Å
359	D	84.8	Confident	87.5	Confident	4 Å²	4	34 Å²	34	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	-108.8	74.4	-180	-170.1	25.1	0	0	0	111.5	S355 Y356 L588 S746 E747	S355-D359 WeakPolarHBondContact O-CB 3.46Å; S355-D359 PolarHBondContact O-N 3.05Å; Y356-D359 CarbonylContact O-C 3.2Å; Y356-D359 PolarHBondContact O-N 3.13Å; D359-L588 HydrophobicContact CB-CD1 4.27Å; D359-S746 VanDerWaalsContact CG-OG 3.27Å; D359-S746 WeakPolarHBondContact OD1-CB 3.25Å; D359-S746 PolarHBondContact OD1-OG 2.88Å; D359-S746 PolarHBondContact OD2-OG 3.27Å; D359-E747 PolarHBondContact OD2-N 3.39Å
360	N	86	Confident	87.8	Confident	4 Å²	4	33 Å²	33	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	-120.9	161.9	178.9	68.1	44.7	0	0	0	111.4	V306 L357 A362 T363	V306-N360 PolarHBondContact O-ND2 2.9Å; L357-N360 PolarHBondContact O-ND2 3.45Å; N360-A362 PolarHBondContact O-N 3.21Å; N360-A362 VanDerWaalsContact O-N 3.13Å; N360-A362 WeakPolarHBondContact OD1-CA 3.41Å; N360-A362 VanDerWaalsContact OD1-CB 3.3Å; N360-A362 WeakPolarHBondContact OD1-CB 3.4Å; N360-A362 PolarHBondContact OD1-N 3.48Å; N360-T363 PolarHBondContact O-N 2.96Å; N360-T363 VanDerWaalsContact O-N 3.09Å; N360-T363 PolarHBondContact O-OG1 3.36Å; N360-T363 WeakPolarHBondContact OD1-CG2 3.34Å; N360-T363 PolarHBondContact OD1-N 3.01Å
361	G	85.9	Confident	88.2	Confident	43 Å²	43	28.9 Å²	28.9	44%	0.443	16%	0.158	S	C	.	.	H	α-helix	trans	-61	-24.4	179.3	0	0	0	0	0	114	T363	G361-T363 VanDerWaalsContact C-N 3.35Å
362	A	90.3	Very high	88.7	Confident	21 Å²	21	29.4 Å²	29.4	17%	0.174	16%	0.161	C	C	.	.	H	α-helix	trans	-73.8	-23.9	178	0	0	0	0	0	112.8	V306 Y309 N360 V364 L365 F366	V306-A362 HydrophobicContact CG1-CB 4.15Å; V306-A362 HydrophobicContact CG2-CB 4.32Å; Y309-A362 HydrophobicContact CD1-CB 4.02Å; Y309-A362 HydrophobicContact CE1-CB 4.25Å; N360-A362 PolarHBondContact O-N 3.21Å; N360-A362 VanDerWaalsContact O-N 3.13Å; N360-A362 WeakPolarHBondContact OD1-CA 3.41Å; N360-A362 VanDerWaalsContact OD1-CB 3.3Å; N360-A362 WeakPolarHBondContact OD1-CB 3.4Å; N360-A362 PolarHBondContact OD1-N 3.48Å; A362-V364 VanDerWaalsContact C-N 3.29Å; A362-V364 PolarHBondContact O-N 2.84Å; A362-L365 PolarHBondContact O-N 2.95Å; A362-F366 WeakPolarHBondContact O-CB 3.23Å; A362-F366 PolarHBondContact O-N 3.45Å
363	T	89.9	Confident	89.2	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-68.6	-28.7	176.7	66.8	0	0	0	0	112.4	V306 F358 N360 G361 F366 A367 P684	V306-T363 HydrophobicContact CG1-CG2 3.75Å; F358-T363 WeakPolarHBondContact O-CG2 3.39Å; N360-T363 PolarHBondContact O-N 2.96Å; N360-T363 VanDerWaalsContact O-N 3.09Å; N360-T363 PolarHBondContact O-OG1 3.36Å; N360-T363 WeakPolarHBondContact OD1-CG2 3.34Å; N360-T363 PolarHBondContact OD1-N 3.01Å; G361-T363 VanDerWaalsContact C-N 3.35Å; T363-F366 WeakPolarHBondContact O-CB 3.2Å; T363-F366 PolarHBondContact O-N 3.47Å; T363-A367 PolarHBondContact O-N 3.22Å; T363-P684 HydrophobicContact CG2-CG 4.36Å
364	V	90.3	Very high	89.4	Confident	14 Å²	14	24.7 Å²	24.7	9%	0.085	14%	0.142	C	C	.	.	H	α-helix	trans	-65.8	-44.7	172.7	-178.2	0	0	0	0	110.8	A362 F366 A367 I368 I742 F748 F829	A362-V364 VanDerWaalsContact C-N 3.29Å; A362-V364 PolarHBondContact O-N 2.84Å; V364-F366 VanDerWaalsContact C-N 3.29Å; V364-F366 PolarHBondContact O-N 2.72Å; V364-A367 PolarHBondContact O-N 3.06Å; V364-I368 PolarHBondContact O-N 2.74Å; V364-I742 HydrophobicContact CG1-CD1 4.4Å; V364-I742 HydrophobicContact CG2-CD1 4.47Å; V364-I742 HydrophobicContact CG2-CG2 3.88Å; V364-F748 HydrophobicContact CG2-CD1 4.1Å; V364-F748 HydrophobicContact CG2-CD2 4.01Å; V364-F748 HydrophobicContact CG2-CE1 4.2Å; V364-F748 HydrophobicContact CG2-CE2 4.11Å; V364-F748 HydrophobicContact CG2-CG 4Å; V364-F748 HydrophobicContact CG2-CZ 4.2Å; V364-F829 HydrophobicContact CG1-CZ 4.14Å
365	L	90.6	Very high	89.7	Confident	122 Å²	122	23.9 Å²	23.9	64%	0.639	14%	0.136	S	C	*	.	H	α-helix	trans	-63.6	-39	174.3	-64	177.4	0	0	0	111.1	A362 I368 F369	A362-L365 PolarHBondContact O-N 2.95Å; L365-I368 PolarHBondContact O-N 3.32Å; L365-F369 PolarHBondContact O-N 3.32Å
366	F	92.9	Very high	90	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-41	174.9	-172.8	-120.3	0	0	0	112.4	L302 V306 A362 T363 V364 I368 F369 M370 V680 P684 P687	L302-F366 HydrophobicContact CB-CD2 4.36Å; L302-F366 HydrophobicContact CB-CE2 4.03Å; L302-F366 HydrophobicContact CD2-CD2 3.72Å; L302-F366 HydrophobicContact CD2-CE2 4.05Å; L302-F366 HydrophobicContact CG-CD2 3.81Å; L302-F366 HydrophobicContact CG-CE2 4.01Å; V306-F366 HydrophobicContact CG2-CB 4.24Å; V306-F366 HydrophobicContact CG2-CG 4.47Å; A362-F366 WeakPolarHBondContact O-CB 3.23Å; A362-F366 PolarHBondContact O-N 3.45Å; T363-F366 WeakPolarHBondContact O-CB 3.2Å; T363-F366 PolarHBondContact O-N 3.47Å; V364-F366 VanDerWaalsContact C-N 3.29Å; V364-F366 PolarHBondContact O-N 2.72Å; F366-I368 VanDerWaalsContact C-N 3.35Å; F366-I368 PolarHBondContact O-N 2.9Å; F366-F369 HydrophobicContact CD2-CD1 4.17Å; F366-F369 HydrophobicContact CE2-CD1 4.09Å; F366-F369 HydrophobicContact CE2-CE1 4.46Å; F366-F369 WeakPolarHBondContact O-CB 3.38Å; F366-F369 PolarHBondContact O-N 3.41Å; F366-M370 HydrophobicContact CD1-CG 4.25Å; F366-M370 HydrophobicContact CD2-CG 4.4Å; F366-M370 HydrophobicContact CE1-CG 3.97Å; F366-M370 HydrophobicContact CE1-SD 4.41Å; F366-M370 HydrophobicContact CE2-CG 4.1Å; F366-M370 HydrophobicContact CE2-SD 4.12Å; F366-M370 HydrophobicContact CG-CG 4.47Å; F366-M370 HydrophobicContact CZ-CG 3.89Å; F366-M370 HydrophobicContact CZ-SD 3.84Å; F366-M370 WeakPolarHBondContact O-CB 3.22Å; F366-M370 VanDerWaalsContact O-CG 3.27Å; F366-M370 WeakPolarHBondContact O-CG 3.34Å; F366-M370 PolarHBondContact O-N 3.23Å; F366-V680 HydrophobicContact CD1-CG2 3.92Å; F366-V680 HydrophobicContact CE1-CG2 3.33Å; F366-V680 HydrophobicContact CZ-CG2 4.17Å; F366-P684 HydrophobicContact CD1-CB 3.9Å; F366-P684 HydrophobicContact CE1-CB 3.88Å; F366-P687 HydrophobicContact CZ-CG 4.16Å
367	A	92.1	Very high	90.3	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-39.7	176.5	0	0	0	0	0	112.5	T363 V364 M370 S371 A681 I742 F833	T363-A367 PolarHBondContact O-N 3.22Å; V364-A367 PolarHBondContact O-N 3.06Å; A367-M370 PolarHBondContact O-N 2.96Å; A367-S371 PolarHBondContact O-N 3.49Å; A367-A681 HydrophobicContact CB-CB 4.2Å; A367-I742 HydrophobicContact CB-CD1 3.81Å; A367-F833 HydrophobicContact CB-CE2 4.48Å; A367-F833 HydrophobicContact CB-CZ 4.06Å
368	I	91.1	Very high	90.6	Very high	38 Å²	38	23.9 Å²	23.9	20%	0.195	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-47.3	173.1	-62.4	173.1	0	0	0	110.1	V364 L365 F366 M370 S371 L372 F833 L840	V364-I368 PolarHBondContact O-N 2.74Å; L365-I368 PolarHBondContact O-N 3.32Å; F366-I368 VanDerWaalsContact C-N 3.35Å; F366-I368 PolarHBondContact O-N 2.9Å; I368-M370 VanDerWaalsContact C-N 3.26Å; I368-M370 PolarHBondContact O-N 3.32Å; I368-S371 PolarHBondContact O-N 3.38Å; I368-S371 VanDerWaalsContact O-N 3.16Å; I368-S371 PolarHBondContact O-OG 3.38Å; I368-L372 HydrophobicContact CG2-CD1 4.43Å; I368-L372 PolarHBondContact O-N 3.34Å; I368-L372 VanDerWaalsContact O-N 3.14Å; I368-F833 HydrophobicContact CD1-CE2 4.25Å; I368-F833 HydrophobicContact CG1-CD2 4.28Å; I368-F833 HydrophobicContact CG1-CE2 3.54Å; I368-F833 HydrophobicContact CG1-CZ 4.11Å; I368-L840 HydrophobicContact CG2-CD1 4.27Å
369	F	93.3	Very high	91	Very high	66 Å²	66	23 Å²	23	29%	0.289	14%	0.136	S	C	.	.	H	α-helix	trans	-56.2	-41.8	175.7	169.4	-92.5	0	0	0	111.8	P299 L302 L365 F366 S371 L372 W373	P299-F369 HydrophobicContact CB-CE1 4.35Å; P299-F369 HydrophobicContact CG-CE1 4.06Å; L302-F369 HydrophobicContact CD2-CB 4.14Å; L302-F369 HydrophobicContact CD2-CD1 3.5Å; L302-F369 HydrophobicContact CD2-CD2 3.9Å; L302-F369 HydrophobicContact CD2-CE1 3.8Å; L302-F369 HydrophobicContact CD2-CE2 4.16Å; L302-F369 HydrophobicContact CD2-CG 3.55Å; L302-F369 HydrophobicContact CD2-CZ 4.11Å; L365-F369 PolarHBondContact O-N 3.32Å; F366-F369 HydrophobicContact CD2-CD1 4.17Å; F366-F369 HydrophobicContact CE2-CD1 4.09Å; F366-F369 HydrophobicContact CE2-CE1 4.46Å; F366-F369 WeakPolarHBondContact O-CB 3.38Å; F366-F369 PolarHBondContact O-N 3.41Å; F369-S371 PolarHBondContact O-N 3.26Å; F369-L372 WeakPolarHBondContact O-CB 3.42Å; F369-L372 PolarHBondContact O-N 3.32Å; F369-W373 HydrophobicContact CE1-CB 4.32Å; F369-W373 VanDerWaalsContact O-CB 3.3Å; F369-W373 WeakPolarHBondContact O-CB 3.36Å; F369-W373 PolarHBondContact O-N 2.96Å
370	M	93.3	Very high	91.2	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-35.5	179.1	-73.3	-62.5	-58	0	0	113	P299 F366 A367 I368 W373 A374 V676 V680 P687	P299-M370 HydrophobicContact CB-CE 4.38Å; P299-M370 HydrophobicContact CB-SD 3.7Å; P299-M370 HydrophobicContact CG-SD 4.06Å; F366-M370 HydrophobicContact CD1-CG 4.25Å; F366-M370 HydrophobicContact CD2-CG 4.4Å; F366-M370 HydrophobicContact CE1-CG 3.97Å; F366-M370 HydrophobicContact CE1-SD 4.41Å; F366-M370 HydrophobicContact CE2-CG 4.1Å; F366-M370 HydrophobicContact CE2-SD 4.12Å; F366-M370 HydrophobicContact CG-CG 4.47Å; F366-M370 HydrophobicContact CZ-CG 3.89Å; F366-M370 HydrophobicContact CZ-SD 3.84Å; F366-M370 WeakPolarHBondContact O-CB 3.22Å; F366-M370 VanDerWaalsContact O-CG 3.27Å; F366-M370 WeakPolarHBondContact O-CG 3.34Å; F366-M370 PolarHBondContact O-N 3.23Å; A367-M370 PolarHBondContact O-N 2.96Å; I368-M370 VanDerWaalsContact C-N 3.26Å; I368-M370 PolarHBondContact O-N 3.32Å; M370-W373 HydrophobicContact CE-CD2 4.31Å; M370-W373 HydrophobicContact CE-CE3 3.64Å; M370-W373 HydrophobicContact CE-CZ3 3.92Å; M370-W373 PolarHBondContact O-N 2.94Å; M370-W373 HydrophobicContact SD-CE3 4.46Å; M370-A374 WeakPolarHBondContact O-CB 3.48Å; M370-A374 PolarHBondContact O-N 3.25Å; M370-V676 HydrophobicContact CE-CG1 4.03Å; M370-V680 HydrophobicContact CB-CG1 3.79Å; M370-V680 HydrophobicContact CB-CG2 4.49Å; M370-V680 HydrophobicContact CE-CG2 4.22Å; M370-V680 HydrophobicContact CG-CB 4.36Å; M370-V680 HydrophobicContact CG-CG1 3.89Å; M370-V680 HydrophobicContact CG-CG2 3.7Å; M370-V680 HydrophobicContact SD-CG2 4.35Å; M370-P687 HydrophobicContact CE-CG 4.25Å; M370-P687 HydrophobicContact SD-CG 4.41Å
371	S	91.1	Very high	91.6	Very high	6 Å²	6	26 Å²	26	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-41.4	173.1	73.6	0	0	0	0	112.4	A367 I368 F369 A374 A375 S841	A367-S371 PolarHBondContact O-N 3.49Å; I368-S371 PolarHBondContact O-N 3.38Å; I368-S371 VanDerWaalsContact O-N 3.16Å; I368-S371 PolarHBondContact O-OG 3.38Å; F369-S371 PolarHBondContact O-N 3.26Å; S371-A374 PolarHBondContact O-N 3Å; S371-A375 PolarHBondContact O-N 2.67Å; S371-S841 PolarHBondContact O-OG 3.28Å
372	L	91.6	Very high	91.8	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.246	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-41.7	175.4	-77.8	171.2	0	0	0	111.6	I368 F369 A375 C376 L840 V844	I368-L372 HydrophobicContact CG2-CD1 4.43Å; I368-L372 PolarHBondContact O-N 3.34Å; I368-L372 VanDerWaalsContact O-N 3.14Å; F369-L372 WeakPolarHBondContact O-CB 3.42Å; F369-L372 PolarHBondContact O-N 3.32Å; L372-A375 PolarHBondContact O-N 3.39Å; L372-C376 WeakPolarHBondContact O-CB 3.2Å; L372-C376 PolarHBondContact O-N 2.68Å; L372-C376 PolarHBondContact O-SG 3.41Å; L372-C376 VanDerWaalsContact O-SG 3.36Å; L372-L840 HydrophobicContact CD2-CB 3.75Å; L372-L840 HydrophobicContact CG-CB 4.49Å; L372-V844 HydrophobicContact CD2-CG2 3.7Å
373	W	94.5	Very high	91.7	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-44	176.5	171.5	83.4	0	0	0	111.6	Y292 L295 L296 P299 F369 M370 A375 C376 F377 Y673	Y292-W373 HydrophobicContact CE2-CH2 4.21Å; L295-W373 HydrophobicContact CB-CZ2 4.46Å; L295-W373 PolarHBondContact O-NE1 3.32Å; L296-W373 HydrophobicContact CD2-CH2 3.86Å; L296-W373 HydrophobicContact CD2-CZ2 3.91Å; L296-W373 HydrophobicContact CG-CH2 4.48Å; L296-W373 HydrophobicContact CG-CZ2 4.22Å; P299-W373 VanDerWaalsContact CG-CD1 3.4Å; P299-W373 HydrophobicContact CG-CD2 3.77Å; P299-W373 HydrophobicContact CG-CG 3.69Å; P299-W373 HydrophobicContact CG-CZ2 4.21Å; P299-W373 VanDerWaalsContact CG-NE1 3.28Å; F369-W373 HydrophobicContact CE1-CB 4.32Å; F369-W373 VanDerWaalsContact O-CB 3.3Å; F369-W373 WeakPolarHBondContact O-CB 3.36Å; F369-W373 PolarHBondContact O-N 2.96Å; M370-W373 HydrophobicContact CE-CD2 4.31Å; M370-W373 HydrophobicContact CE-CE3 3.64Å; M370-W373 HydrophobicContact CE-CZ3 3.92Å; M370-W373 PolarHBondContact O-N 2.94Å; M370-W373 HydrophobicContact SD-CE3 4.46Å; W373-A375 VanDerWaalsContact C-N 3.33Å; W373-A375 PolarHBondContact O-N 2.87Å; W373-C376 CarbonylContact O-C 3.59Å; W373-C376 WeakPolarHBondContact O-CB 3.32Å; W373-C376 PolarHBondContact O-N 3.16Å; W373-F377 WeakPolarHBondContact O-CB 3.42Å; W373-F377 PolarHBondContact O-N 2.8Å; W373-Y673 HydrophobicContact CH2-CD2 4.37Å; W373-Y673 AromaticContact CH2-CE2 3.94Å; W373-Y673 HydrophobicContact CH2-CE2 3.94Å; W373-Y673 HydrophobicContact CZ3-CD2 4.47Å; W373-Y673 AromaticContact CZ3-CE2 3.76Å; W373-Y673 HydrophobicContact CZ3-CE2 3.76Å
374	A	93.2	Very high	91.7	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.9	0	0	0	0	0	111.9	M370 S371 F377 L378 Y673	M370-A374 WeakPolarHBondContact O-CB 3.48Å; M370-A374 PolarHBondContact O-N 3.25Å; S371-A374 PolarHBondContact O-N 3Å; A374-F377 PolarHBondContact O-N 3.27Å; A374-L378 WeakPolarHBondContact O-CG 3.11Å; A374-L378 PolarHBondContact O-N 3.21Å; A374-L378 VanDerWaalsContact O-N 3.13Å; A374-Y673 WeakPolarHBondContact CB-OH 3.22Å
375	A	91.8	Very high	91.6	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-47	174.2	0	0	0	0	0	111.9	S371 L372 W373 F377 L378 E379 V844	S371-A375 PolarHBondContact O-N 2.67Å; L372-A375 PolarHBondContact O-N 3.39Å; W373-A375 VanDerWaalsContact C-N 3.33Å; W373-A375 PolarHBondContact O-N 2.87Å; A375-F377 VanDerWaalsContact C-N 3.28Å; A375-F377 PolarHBondContact O-N 3.49Å; A375-L378 PolarHBondContact O-N 3.14Å; A375-E379 WeakPolarHBondContact O-CG 3.45Å; A375-E379 PolarHBondContact O-N 3.06Å; A375-E379 VanDerWaalsContact O-N 3.11Å; A375-V844 HydrophobicContact CB-CB 4.38Å; A375-V844 HydrophobicContact CB-CG1 4.21Å
376	C	91.9	Very high	91.3	Very high	49 Å²	49	33 Å²	33	33%	0.331	16%	0.155	S	C	.	.	H	α-helix	trans	-58.2	-39.2	174.9	-75.7	0	0	0	0	112.3	L372 W373 H380 V844	L372-C376 WeakPolarHBondContact O-CB 3.2Å; L372-C376 PolarHBondContact O-N 2.68Å; L372-C376 PolarHBondContact O-SG 3.41Å; L372-C376 VanDerWaalsContact O-SG 3.36Å; W373-C376 CarbonylContact O-C 3.59Å; W373-C376 WeakPolarHBondContact O-CB 3.32Å; W373-C376 PolarHBondContact O-N 3.16Å; C376-H380 WeakPolarHBondContact O-CB 3.49Å; C376-H380 PolarHBondContact O-N 3.32Å; C376-V844 VanDerWaalsContact SG-CG1 3.59Å
377	F	93.7	Very high	91	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-50.4	178.5	165.4	-106.3	0	0	0	111.7	W288 V291 Y292 L295 W373 A374 A375 E379 H380 W381 Y673	W288-F377 HydrophobicContact CZ2-CZ 4.29Å; W288-F377 AromaticContact NE1-CZ 3.84Å; V291-F377 HydrophobicContact CG1-CE2 4.35Å; Y292-F377 HydrophobicContact CD2-CE2 4Å; Y292-F377 HydrophobicContact CD2-CZ 4.05Å; Y292-F377 HydrophobicContact CG-CE2 4.41Å; Y292-F377 HydrophobicContact CG-CZ 4.43Å; L295-F377 HydrophobicContact CB-CD2 4.24Å; L295-F377 HydrophobicContact CD1-CB 4.3Å; L295-F377 HydrophobicContact CD1-CD2 3.71Å; L295-F377 HydrophobicContact CD1-CG 4.49Å; W373-F377 WeakPolarHBondContact O-CB 3.42Å; W373-F377 PolarHBondContact O-N 2.8Å; A374-F377 PolarHBondContact O-N 3.27Å; A375-F377 VanDerWaalsContact C-N 3.28Å; A375-F377 PolarHBondContact O-N 3.49Å; F377-E379 PolarHBondContact O-N 2.95Å; F377-H380 PolarHBondContact O-N 3.49Å; F377-W381 WeakPolarHBondContact O-CB 3.41Å; F377-W381 PolarHBondContact O-N 2.83Å; F377-Y673 AromaticContact CD1-CE2 3.96Å; F377-Y673 HydrophobicContact CD1-CE2 3.96Å; F377-Y673 HydrophobicContact CE1-CD2 4.48Å; F377-Y673 HydrophobicContact CE1-CE2 4.05Å
378	L	91.8	Very high	90.7	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-42.1	179.3	-68.5	174.6	0	0	0	112.3	A374 A375 W381 K382 Y724 L727 C728	A374-L378 WeakPolarHBondContact O-CG 3.11Å; A374-L378 PolarHBondContact O-N 3.21Å; A374-L378 VanDerWaalsContact O-N 3.13Å; A375-L378 PolarHBondContact O-N 3.14Å; L378-W381 PolarHBondContact O-N 3.48Å; L378-K382 PolarHBondContact O-N 3.37Å; L378-Y724 HydrophobicContact CB-CE2 4.38Å; L378-Y724 HydrophobicContact CD2-CD2 4.49Å; L378-Y724 HydrophobicContact CD2-CE2 4.03Å; L378-L727 HydrophobicContact CD2-CB 3.84Å; L378-C728 HydrophobicContact CD1-CB 4.42Å
379	E	90.8	Very high	90.4	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-36.6	178.6	-66.3	-53.6	142.8	0	0	112.6	A375 F377 K382 R383 A845 I848	A375-E379 WeakPolarHBondContact O-CG 3.45Å; A375-E379 PolarHBondContact O-N 3.06Å; A375-E379 VanDerWaalsContact O-N 3.11Å; F377-E379 PolarHBondContact O-N 2.95Å; E379-K382 IonicContact OE1-NZ 3.07Å; E379-K382 PolarHBondContact OE1-NZ 3.33Å; E379-K382 WeakPolarHBondContact OE2-CD 3.24Å; E379-K382 IonicContact OE2-NZ 2.89Å; E379-K382 PolarHBondContact OE2-NZ 2.83Å; E379-R383 WeakPolarHBondContact O-CG 3.3Å; E379-R383 PolarHBondContact O-N 2.91Å; E379-R383 VanDerWaalsContact O-N 3.13Å; E379-A845 HydrophobicContact CG-CB 4.34Å; E379-I848 HydrophobicContact CB-CB 4.3Å; E379-I848 HydrophobicContact CB-CD1 4.3Å; E379-I848 HydrophobicContact CB-CG2 4.05Å
380	H	90.1	Very high	89.8	Confident	70 Å²	70	32.2 Å²	32.2	32%	0.324	16%	0.155	S	C	.	.	H	α-helix	trans	-64.3	-42.4	172.4	-173.2	91.8	0	0	0	111.4	L295 C376 F377 R383 R384	L295-H380 HydrophobicContact CD1-CB 3.88Å; C376-H380 WeakPolarHBondContact O-CB 3.49Å; C376-H380 PolarHBondContact O-N 3.32Å; F377-H380 PolarHBondContact O-N 3.49Å; H380-R383 PolarHBondContact O-N 2.69Å; H380-R384 WeakPolarHBondContact O-CB 3.49Å; H380-R384 PolarHBondContact O-N 2.89Å
381	W	92.6	Very high	89.2	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-49.9	176.2	174.9	-110.5	0	0	0	111.6	L284 A287 W288 V291 F377 L378 R383 R384 Q385 I720	L284-W381 HydrophobicContact CD1-CH2 3.93Å; L284-W381 HydrophobicContact CD1-CZ2 4Å; L284-W381 HydrophobicContact CG-CH2 4.36Å; L284-W381 HydrophobicContact CG-CZ2 4.24Å; A287-W381 HydrophobicContact CB-CH2 4.27Å; A287-W381 HydrophobicContact CB-CZ3 4.43Å; W288-W381 VanDerWaalsContact CA-CH2 3.42Å; W288-W381 HydrophobicContact CB-CE3 4.28Å; W288-W381 HydrophobicContact CB-CH2 3.43Å; W288-W381 VanDerWaalsContact CB-CH2 3.43Å; W288-W381 HydrophobicContact CB-CZ2 3.77Å; W288-W381 HydrophobicContact CB-CZ3 3.74Å; W288-W381 AromaticContact CD1-CD2 3.57Å; W288-W381 AromaticContact CD1-CE2 3.54Å; W288-W381 AromaticContact CD1-CE3 3.91Å; W288-W381 AromaticContact CD1-CZ2 3.86Å; W288-W381 AromaticContact CD1-NE1 3.95Å; W288-W381 HydrophobicContact CG-CD2 4.45Å; W288-W381 HydrophobicContact CG-CE3 4.45Å; W288-W381 HydrophobicContact CG-CH2 4.23Å; W288-W381 HydrophobicContact CG-CZ2 4.21Å; W288-W381 HydrophobicContact CG-CZ3 4.38Å; V291-W381 HydrophobicContact CB-CE3 4.07Å; V291-W381 HydrophobicContact CB-CZ3 4.37Å; V291-W381 HydrophobicContact CG1-CE3 4.2Å; V291-W381 HydrophobicContact CG2-CE3 4.06Å; V291-W381 HydrophobicContact CG2-CZ3 4.09Å; F377-W381 WeakPolarHBondContact O-CB 3.41Å; F377-W381 PolarHBondContact O-N 2.83Å; L378-W381 PolarHBondContact O-N 3.48Å; W381-R383 VanDerWaalsContact C-N 3.28Å; W381-R383 PolarHBondContact O-N 2.68Å; W381-R384 HydrophobicContact CE3-CB 4.44Å; W381-R384 HydrophobicContact CZ3-CG 4.36Å; W381-R384 CarbonylContact O-C 3.45Å; W381-R384 PolarHBondContact O-N 2.97Å; W381-Q385 HydrophobicContact CZ2-CB 4.27Å; W381-Q385 HydrophobicContact CZ2-CG 4.44Å; W381-Q385 WeakPolarHBondContact O-CB 3.46Å; W381-Q385 PolarHBondContact O-N 2.93Å; W381-I720 HydrophobicContact CZ2-CG2 3.65Å
382	K	90.3	Very high	88.7	Confident	54 Å²	54	33.8 Å²	33.8	24%	0.235	17%	0.166	C	C	.	.	H	α-helix	trans	-51.1	-47.5	174.7	-82.6	167.4	151.8	175.6	0	112.4	L378 E379 R384 Q385 M386 Y724 D850	L378-K382 PolarHBondContact O-N 3.37Å; E379-K382 IonicContact OE1-NZ 3.07Å; E379-K382 PolarHBondContact OE1-NZ 3.33Å; E379-K382 WeakPolarHBondContact OE2-CD 3.24Å; E379-K382 IonicContact OE2-NZ 2.89Å; E379-K382 PolarHBondContact OE2-NZ 2.83Å; K382-R384 PolarHBondContact O-N 3.27Å; K382-Q385 PolarHBondContact O-N 3.14Å; K382-M386 WeakPolarHBondContact O-CG 3.5Å; K382-M386 PolarHBondContact O-N 3.09Å; K382-Y724 HydrophobicContact CD-CE2 4.36Å; K382-Y724 WeakPolarHBondContact CE-OH 3.45Å; K382-Y724 HydrophobicContact CG-CE2 3.91Å; K382-Y724 PolarHBondContact NZ-OH 3.09Å; K382-D850 IonicContact NZ-OD1 2.85Å; K382-D850 PolarHBondContact NZ-OD1 3.48Å
383	R	90	Very high	88.1	Confident	89 Å²	89	33.1 Å²	33.1	34%	0.336	16%	0.162	S	C	.	.	H	α-helix	trans	-62.7	-42.9	178.1	-73.5	175.3	64.2	-167.6	-1.9	112	E379 H380 W381 M386 C387 P849 D850	E379-R383 WeakPolarHBondContact O-CG 3.3Å; E379-R383 PolarHBondContact O-N 2.91Å; E379-R383 VanDerWaalsContact O-N 3.13Å; H380-R383 PolarHBondContact O-N 2.69Å; W381-R383 VanDerWaalsContact C-N 3.28Å; W381-R383 PolarHBondContact O-N 2.68Å; R383-M386 PolarHBondContact O-N 3.29Å; R383-C387 PolarHBondContact O-N 3.49Å; R383-C387 VanDerWaalsContact O-N 3.11Å; R383-C387 PolarHBondContact O-SG 2.78Å; R383-C387 VanDerWaalsContact O-SG 3.41Å; R383-P849 WeakPolarHBondContact CD-O 3.06Å; R383-P849 WeakPolarHBondContact CG-O 2.96Å; R383-D850 VanDerWaalsContact CG-O 3.27Å; R383-D850 WeakPolarHBondContact CG-O 3.23Å
384	R	88.1	Confident	87.3	Confident	106 Å²	106	32.7 Å²	32.7	40%	0.4	16%	0.161	S	C	.	.	H	α-helix	trans	-65.8	-44.4	177.5	-178.2	59.7	172.9	169.7	2.7	111	V291 H380 W381 K382 M386 C387 L388	V291-R384 HydrophobicContact CG2-CB 4.45Å; V291-R384 HydrophobicContact CG2-CG 3.9Å; H380-R384 WeakPolarHBondContact O-CB 3.49Å; H380-R384 PolarHBondContact O-N 2.89Å; W381-R384 HydrophobicContact CE3-CB 4.44Å; W381-R384 HydrophobicContact CZ3-CG 4.36Å; W381-R384 CarbonylContact O-C 3.45Å; W381-R384 PolarHBondContact O-N 2.97Å; K382-R384 PolarHBondContact O-N 3.27Å; R384-M386 VanDerWaalsContact C-N 3.3Å; R384-M386 PolarHBondContact O-N 3.46Å; R384-C387 WeakPolarHBondContact O-CB 3.29Å; R384-C387 PolarHBondContact O-N 3.44Å; R384-C387 VanDerWaalsContact O-N 3.13Å; R384-L388 HydrophobicContact CG-CD1 4.17Å; R384-L388 HydrophobicContact CG-CG 4.48Å; R384-L388 WeakPolarHBondContact O-CG 3.27Å; R384-L388 PolarHBondContact O-N 3.07Å
385	Q	89.3	Confident	86	Confident	27 Å²	27	35.4 Å²	35.4	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-42.4	175.8	-173.1	-175	-49.3	0	0	111	W381 K382 C387 L388 K389	W381-Q385 HydrophobicContact CZ2-CB 4.27Å; W381-Q385 HydrophobicContact CZ2-CG 4.44Å; W381-Q385 WeakPolarHBondContact O-CB 3.46Å; W381-Q385 PolarHBondContact O-N 2.93Å; K382-Q385 PolarHBondContact O-N 3.14Å; Q385-C387 PolarHBondContact O-N 3.13Å; Q385-L388 PolarHBondContact O-N 2.95Å; Q385-K389 WeakPolarHBondContact O-CB 3.25Å; Q385-K389 PolarHBondContact O-N 3.48Å
386	M	84.9	Confident	84.4	Confident	72 Å²	72	36 Å²	36	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-65.5	-38.2	175.3	-72.4	-63.4	-92.6	0	0	113	K382 R383 R384 L388 K389 H390 V851	K382-M386 WeakPolarHBondContact O-CG 3.5Å; K382-M386 PolarHBondContact O-N 3.09Å; R383-M386 PolarHBondContact O-N 3.29Å; R384-M386 VanDerWaalsContact C-N 3.3Å; R384-M386 PolarHBondContact O-N 3.46Å; M386-L388 VanDerWaalsContact C-N 3.34Å; M386-K389 HydrophobicContact SD-CD 4.28Å; M386-H390 PolarHBondContact O-N 2.95Å; M386-H390 VanDerWaalsContact O-N 3.15Å; M386-V851 HydrophobicContact CE-CG2 3.87Å
387	C	84.8	Confident	82.8	Confident	38 Å²	38	34.4 Å²	34.4	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-42	171.9	-70.8	0	0	0	0	111.9	R383 R384 Q385 H390 S391	R383-C387 PolarHBondContact O-N 3.49Å; R383-C387 VanDerWaalsContact O-N 3.11Å; R383-C387 PolarHBondContact O-SG 2.78Å; R383-C387 VanDerWaalsContact O-SG 3.41Å; R384-C387 WeakPolarHBondContact O-CB 3.29Å; R384-C387 PolarHBondContact O-N 3.44Å; R384-C387 VanDerWaalsContact O-N 3.13Å; Q385-C387 PolarHBondContact O-N 3.13Å; C387-H390 PolarHBondContact O-N 3.44Å; C387-S391 PolarHBondContact O-N 2.88Å; C387-S391 PolarHBondContact O-OG 2.92Å
388	L	86.1	Confident	80.8	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-42.7	178.4	-66	174.9	0	0	0	112	L284 A287 R384 Q385 M386 H390 S391 W392	L284-L388 HydrophobicContact CD1-CD1 4.22Å; A287-L388 HydrophobicContact CB-CD1 3.56Å; R384-L388 HydrophobicContact CG-CD1 4.17Å; R384-L388 HydrophobicContact CG-CG 4.48Å; R384-L388 WeakPolarHBondContact O-CG 3.27Å; R384-L388 PolarHBondContact O-N 3.07Å; Q385-L388 PolarHBondContact O-N 2.95Å; M386-L388 VanDerWaalsContact C-N 3.34Å; L388-H390 PolarHBondContact O-N 3.4Å; L388-S391 WeakPolarHBondContact CA-OG 3.35Å; L388-S391 PolarHBondContact O-N 3.09Å; L388-S391 PolarHBondContact O-OG 3.36Å; L388-W392 HydrophobicContact CB-CD2 4.2Å; L388-W392 HydrophobicContact CB-CE3 4.16Å; L388-W392 HydrophobicContact CB-CH2 4.31Å; L388-W392 HydrophobicContact CB-CZ2 4.35Å; L388-W392 HydrophobicContact CB-CZ3 4.22Å; L388-W392 HydrophobicContact CD1-CH2 3.98Å; L388-W392 HydrophobicContact CD1-CZ2 4.24Å; L388-W392 HydrophobicContact CD1-CZ3 4.48Å; L388-W392 HydrophobicContact CD2-CH2 4.25Å; L388-W392 HydrophobicContact CD2-CZ2 3.67Å; L388-W392 HydrophobicContact CG-CH2 4.4Å; L388-W392 HydrophobicContact CG-CZ2 4.29Å; L388-W392 VanDerWaalsContact O-CB 3.25Å; L388-W392 WeakPolarHBondContact O-CB 3.25Å; L388-W392 VanDerWaalsContact O-CG 3.29Å; L388-W392 PolarHBondContact O-N 3.46Å
389	K	85	Confident	78.6	Confident	30 Å²	30	44.9 Å²	44.9	13%	0.13	22%	0.217	C	C	.	.	H	α-helix	trans	-54.2	-38.3	173.6	-173.4	178	177.6	177.8	0	111.2	Q385 M386 D393 L394 T395 E398	Q385-K389 WeakPolarHBondContact O-CB 3.25Å; Q385-K389 PolarHBondContact O-N 3.48Å; M386-K389 HydrophobicContact SD-CD 4.28Å; K389-D393 PolarHBondContact O-N 3.27Å; K389-L394 HydrophobicContact CG-CB 3.92Å; K389-L394 PolarHBondContact O-N 3.13Å; K389-T395 HydrophobicContact CG-CG2 4.41Å; K389-E398 IonicContact NZ-OE1 3.57Å; K389-E398 PolarHBondContact NZ-OE1 3.38Å
390	H	81.3	Confident	76.6	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-76.4	-49.1	174.6	-179.8	-100.3	0	0	0	113.3	M386 C387 L388 W392 D393 L855 E862	M386-H390 PolarHBondContact O-N 2.95Å; M386-H390 VanDerWaalsContact O-N 3.15Å; C387-H390 PolarHBondContact O-N 3.44Å; L388-H390 PolarHBondContact O-N 3.4Å; H390-W392 PolarHBondContact O-N 3.43Å; H390-D393 PolarHBondContact O-N 2.98Å; H390-L855 HydrophobicContact CB-CD1 3.85Å; H390-L855 HydrophobicContact CB-CD2 4.36Å; H390-L855 WeakPolarHBondContact ND1-CD1 3.29Å; H390-E862 IonicContact CE1-OE1 3.89Å; H390-E862 IonicContact CE1-OE2 3.03Å; H390-E862 PolarHBondContact CE1-OE2 2.98Å; H390-E862 IonicContact NE2-OE2 2.74Å
391	S	79.6	Confident	74.6	Confident	40 Å²	40	44.9 Å²	44.9	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-29.5	-177.9	60.1	0	0	0	0	113	C387 L388 D393	C387-S391 PolarHBondContact O-N 2.88Å; C387-S391 PolarHBondContact O-OG 2.92Å; L388-S391 WeakPolarHBondContact CA-OG 3.35Å; L388-S391 PolarHBondContact O-N 3.09Å; L388-S391 PolarHBondContact O-OG 3.36Å; S391-D393 VanDerWaalsContact C-N 3.33Å
392	W	82.3	Confident	72.4	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.019	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	7.8	177.2	-56.2	-17.2	0	0	0	113.2	V271 D272 R275 E280 L284 A287 L388 H390 L394	V271-W392 HydrophobicContact CG1-CH2 3.9Å; V271-W392 HydrophobicContact CG1-CZ2 3.51Å; D272-W392 PolarHBondContact OD1-NE1 3.38Å; R275-W392 VanDerWaalsContact CD-CD2 3.46Å; R275-W392 HydrophobicContact CG-CD2 4.44Å; E280-W392 HydrophobicContact CB-CE3 4.44Å; E280-W392 HydrophobicContact CG-CE3 4.46Å; L284-W392 HydrophobicContact CB-CZ3 4.06Å; L284-W392 HydrophobicContact CD1-CH2 4.37Å; L284-W392 HydrophobicContact CD1-CZ3 3.88Å; A287-W392 HydrophobicContact CB-CH2 4.41Å; L388-W392 HydrophobicContact CB-CD2 4.2Å; L388-W392 HydrophobicContact CB-CE3 4.16Å; L388-W392 HydrophobicContact CB-CH2 4.31Å; L388-W392 HydrophobicContact CB-CZ2 4.35Å; L388-W392 HydrophobicContact CB-CZ3 4.22Å; L388-W392 HydrophobicContact CD1-CH2 3.98Å; L388-W392 HydrophobicContact CD1-CZ2 4.24Å; L388-W392 HydrophobicContact CD1-CZ3 4.48Å; L388-W392 HydrophobicContact CD2-CH2 4.25Å; L388-W392 HydrophobicContact CD2-CZ2 3.67Å; L388-W392 HydrophobicContact CG-CH2 4.4Å; L388-W392 HydrophobicContact CG-CZ2 4.29Å; L388-W392 VanDerWaalsContact O-CB 3.25Å; L388-W392 WeakPolarHBondContact O-CB 3.25Å; L388-W392 VanDerWaalsContact O-CG 3.29Å; L388-W392 PolarHBondContact O-N 3.46Å; H390-W392 PolarHBondContact O-N 3.43Å; W392-L394 HydrophobicContact CB-CD1 3.9Å; W392-L394 HydrophobicContact CB-CG 3.98Å; W392-L394 HydrophobicContact CE3-CD1 3.95Å; W392-L394 PolarHBondContact O-N 3.36Å
393	D	79	Confident	70.1	Confident	33 Å²	33	56.7 Å²	56.7	18%	0.176	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	20.1	171.2	-59	-64.7	0	0	0	115.4	K119 K172 K389 H390 S391 T395	K119-D393 HydrophobicContact CB-CB 4.36Å; K119-D393 HydrophobicContact CD-CB 3.65Å; K119-D393 PolarHBondContact NZ-O 2.97Å; K172-D393 WeakPolarHBondContact CD-OD2 3.48Å; K172-D393 WeakPolarHBondContact CE-OD2 3.36Å; K172-D393 IonicContact NZ-OD2 2.88Å; K172-D393 PolarHBondContact NZ-OD2 2.93Å; K389-D393 PolarHBondContact O-N 3.27Å; H390-D393 PolarHBondContact O-N 2.98Å; S391-D393 VanDerWaalsContact C-N 3.33Å; D393-T395 PolarHBondContact O-N 2.98Å
394	L	75.8	Confident	68.1	Low	6 Å²	6	56.4 Å²	56.4	3%	0.031	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-75.8	1.2	-173.6	-63.7	167.4	0	0	0	114.6	E280 K389 W392 S396 L397 R716 C717	E280-L394 HydrophobicContact CB-CD1 4.49Å; E280-L394 HydrophobicContact CB-CD2 4.48Å; E280-L394 HydrophobicContact CG-CD1 4.41Å; E280-L394 HydrophobicContact CG-CD2 4.04Å; K389-L394 HydrophobicContact CG-CB 3.92Å; K389-L394 PolarHBondContact O-N 3.13Å; W392-L394 HydrophobicContact CB-CD1 3.9Å; W392-L394 HydrophobicContact CB-CG 3.98Å; W392-L394 HydrophobicContact CE3-CD1 3.95Å; W392-L394 PolarHBondContact O-N 3.36Å; L394-S396 VanDerWaalsContact C-N 3.25Å; L394-S396 PolarHBondContact O-N 3.41Å; L394-L397 HydrophobicContact CB-CD1 4.11Å; L394-L397 HydrophobicContact CD2-CD1 3.39Å; L394-L397 HydrophobicContact CD2-CG 4.44Å; L394-L397 HydrophobicContact CG-CD1 4.36Å; L394-L397 PolarHBondContact O-N 3.06Å; L394-R716 HydrophobicContact CD2-CB 4.49Å; L394-C717 VanDerWaalsContact CD1-O 3.23Å; L394-C717 WeakPolarHBondContact CD1-O 3.5Å
395	T	67.9	Low	66.1	Low	60 Å²	60	56.3 Å²	56.3	37%	0.368	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.7	-20.7	-179.7	50.1	0	0	0	0	114.5	K119 K389 D393	K119-T395 PolarHBondContact NZ-OG1 3.25Å; K119-T395 VanDerWaalsContact NZ-OG1 3.09Å; K389-T395 HydrophobicContact CG-CG2 4.41Å; D393-T395 PolarHBondContact O-N 2.98Å
396	S	57.8	Low	64.2	Low	27 Å²	27	60.4 Å²	60.4	19%	0.189	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-87.2	-7.7	-179.3	49.1	0	0	0	0	114.3	K119 L394 E398	K119-S396 WeakPolarHBondContact CE-OG 3.5Å; K119-S396 PolarHBondContact NZ-OG 3.18Å; L394-S396 VanDerWaalsContact C-N 3.25Å; L394-S396 PolarHBondContact O-N 3.41Å; S396-E398 VanDerWaalsContact C-N 3.26Å; S396-E398 PolarHBondContact O-N 3.27Å
397	L	58.5	Low	62.8	Low	14 Å²	14	61.2 Å²	61.2	7%	0.073	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21	-178.2	-70.2	176.3	0	0	0	113.8	L394 H399 E400 E401 R716	L394-L397 HydrophobicContact CB-CD1 4.11Å; L394-L397 HydrophobicContact CD2-CD1 3.39Å; L394-L397 HydrophobicContact CD2-CG 4.44Å; L394-L397 HydrophobicContact CG-CD1 4.36Å; L394-L397 PolarHBondContact O-N 3.06Å; L397-H399 PolarHBondContact O-N 3.41Å; L397-H399 VanDerWaalsContact O-N 3.13Å; L397-E400 WeakPolarHBondContact CD2-OE2 3.34Å; L397-E400 PolarHBondContact O-N 3.14Å; L397-E401 PolarHBondContact O-N 2.82Å; L397-R716 HydrophobicContact CD1-CB 4Å; L397-R716 HydrophobicContact CD2-CB 4.41Å; L397-R716 VanDerWaalsContact CD2-CZ 3.47Å
398	E	51.8	Low	61.8	Low	101 Å²	101	62 Å²	62	47%	0.472	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.7	179.6	-68.7	170.5	-171.4	0	0	112.8	K389 S396	K389-E398 IonicContact NZ-OE1 3.57Å; K389-E398 PolarHBondContact NZ-OE1 3.38Å; S396-E398 VanDerWaalsContact C-N 3.26Å; S396-E398 PolarHBondContact O-N 3.27Å
399	H	44	Very low	61	Low	133 Å²	133	63.7 Å²	63.7	62%	0.616	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-93	-6.9	175.5	-68	65.1	0	0	0	113.4	L397	L397-H399 PolarHBondContact O-N 3.41Å; L397-H399 VanDerWaalsContact O-N 3.13Å
400	E	48.5	Very low	60	Low	21 Å²	21	63.9 Å²	63.9	10%	0.098	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-29	176.6	-72.1	179.1	-173.9	0	0	111.9	L397 E402 R403 V404 R716	L397-E400 WeakPolarHBondContact CD2-OE2 3.34Å; L397-E400 PolarHBondContact O-N 3.14Å; E400-E402 VanDerWaalsContact C-N 3.27Å; E400-E402 PolarHBondContact O-N 2.89Å; E400-R403 PolarHBondContact O-N 3.39Å; E400-V404 PolarHBondContact O-N 3Å; E400-R716 IonicContact OE1-NH1 3.94Å; E400-R716 IonicContact OE1-NH2 3.78Å; E400-R716 IonicContact OE2-CZ 2.74Å; E400-R716 VanDerWaalsContact OE2-CZ 3.27Å; E400-R716 IonicContact OE2-NH1 2.83Å; E400-R716 PolarHBondContact OE2-NH1 2.64Å; E400-R716 IonicContact OE2-NH2 3.3Å; E400-R716 PolarHBondContact OE2-NH2 2.95Å
401	E	49.7	Very low	59.4	Low	61 Å²	61	66.7 Å²	66.7	29%	0.285	33%	0.33	S	S	.	.	H	α-helix	trans	-57.3	-37.3	176.7	-78.5	171.4	-171.5	0	0	112.5	L397 R403 V404 Q405 K718	L397-E401 PolarHBondContact O-N 2.82Å; E401-R403 PolarHBondContact O-N 2.92Å; E401-V404 PolarHBondContact O-N 2.98Å; E401-Q405 VanDerWaalsContact O-CB 3.32Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 WeakPolarHBondContact O-CG 3.23Å; E401-Q405 PolarHBondContact O-N 2.88Å; E401-Q405 PolarHBondContact O-OE1 3.45Å; E401-K718 WeakPolarHBondContact OE1-CD 3.43Å; E401-K718 VanDerWaalsContact OE1-CE 3.29Å; E401-K718 WeakPolarHBondContact OE1-CE 3.47Å; E401-K718 IonicContact OE1-NZ 2.8Å; E401-K718 PolarHBondContact OE1-NZ 2.92Å; E401-K718 IonicContact OE2-NZ 3.03Å; E401-K718 PolarHBondContact OE2-NZ 3.41Å
402	E	45	Very low	58.8	Low	154 Å²	154	68 Å²	68	72%	0.72	33%	0.329	S	S	*	.	H	α-helix	trans	-62.7	-21.9	173.9	-73.4	-175.6	165.5	0	0	113.7	E400	E400-E402 VanDerWaalsContact C-N 3.27Å; E400-E402 PolarHBondContact O-N 2.89Å
403	R	42.3	Very low	58	Low	150 Å²	150	68.4 Å²	68.4	57%	0.566	33%	0.333	S	S	*	.	H	α-helix	trans	-100.3	-28.4	177.3	-82.9	-165.7	-71.1	-171.4	5.2	114	E400 E401	E400-R403 PolarHBondContact O-N 3.39Å; E401-R403 PolarHBondContact O-N 2.92Å
404	V	48	Very low	57.5	Low	82 Å²	82	70.5 Å²	70.5	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-82.9	-25.8	179.7	177.4	0	0	0	0	111.6	E400 E401 D406 E407	E400-V404 PolarHBondContact O-N 3Å; E401-V404 PolarHBondContact O-N 2.98Å; V404-D406 PolarHBondContact O-N 3.39Å; V404-E407 PolarHBondContact O-N 3.32Å; V404-E407 VanDerWaalsContact O-N 3.07Å
405	Q	47.1	Very low	57.1	Low	104 Å²	104	71.4 Å²	71.4	49%	0.486	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-6	172.1	-85.5	172.9	-27.7	0	0	114.9	E401	E401-Q405 VanDerWaalsContact O-CB 3.32Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 WeakPolarHBondContact O-CG 3.23Å; E401-Q405 PolarHBondContact O-N 2.88Å; E401-Q405 PolarHBondContact O-OE1 3.45Å
406	D	48.2	Very low	57.1	Low	113 Å²	113	71.2 Å²	71.2	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.7	176.1	-75.2	-29.3	0	0	0	114.3	V404 L408	V404-D406 PolarHBondContact O-N 3.39Å; D406-L408 WeakPolarHBondContact O-CD1 3.37Å; D406-L408 PolarHBondContact O-N 2.99Å
407	E	56.5	Low	57.5	Low	89 Å²	89	72.4 Å²	72.4	42%	0.416	35%	0.349	S	S	.	.			trans	-78.3	104.9	174.6	-70.3	-173.8	-175.1	0	0	110.1	R207 V404	R207-E407 IonicContact NE-OE1 3.96Å; V404-E407 PolarHBondContact O-N 3.32Å; V404-E407 VanDerWaalsContact O-N 3.07Å
408	L	63.8	Low	58.1	Low	56 Å²	56	76.8 Å²	76.8	29%	0.293	37%	0.37	S	S	.	.			trans	-77.8	138.9	177.4	-71.6	99.1	0	0	0	110.5	D406 Y412 K528	D406-L408 WeakPolarHBondContact O-CD1 3.37Å; D406-L408 PolarHBondContact O-N 2.99Å; L408-Y412 HydrophobicContact CD2-CD1 3.62Å; L408-Y412 HydrophobicContact CD2-CE1 3.74Å; L408-K528 HydrophobicContact CD2-CG 4.33Å
409	R	68.9	Low	58.9	Low	38 Å²	38	77.7 Å²	77.7	14%	0.143	37%	0.372	C	S	.	.			trans	-58.3	136.4	172.3	-173.7	-178.9	173.5	171.8	-1.7	110.2	E411 Y412 A413 K528 F533	R409-E411 VanDerWaalsContact C-N 3.33Å; R409-E411 IonicContact CZ-OE1 3.33Å; R409-E411 IonicContact CZ-OE2 3.03Å; R409-E411 IonicContact NE-OE1 3.2Å; R409-E411 PolarHBondContact NE-OE1 2.99Å; R409-E411 IonicContact NE-OE2 2.82Å; R409-E411 PolarHBondContact NE-OE2 3.36Å; R409-E411 IonicContact NH2-OE1 3.09Å; R409-E411 PolarHBondContact NH2-OE1 3.32Å; R409-E411 IonicContact NH2-OE2 2.62Å; R409-E411 PolarHBondContact NH2-OE2 2.97Å; R409-E411 PolarHBondContact O-N 3.11Å; R409-Y412 WeakPolarHBondContact O-CA 3.49Å; R409-Y412 WeakPolarHBondContact O-CB 3.35Å; R409-Y412 PolarHBondContact O-N 3.22Å; R409-A413 PolarHBondContact O-N 2.93Å; R409-K528 PolarHBondContact N-O 3.5Å; R409-K528 VanDerWaalsContact N-O 3.15Å; R409-F533 VanDerWaalsContact NH1-CG 3.26Å
410	P	65.1	Low	60	Low	34 Å²	34	76.7 Å²	76.7	22%	0.221	37%	0.366	C	S	.	.	H	α-helix	trans	-57.7	-41.7	-177.1	19.8	-33.1	0	0	0	113.1	Y412 A413 E414	P410-Y412 VanDerWaalsContact C-N 3.31Å; P410-Y412 PolarHBondContact O-N 3.48Å; P410-A413 WeakPolarHBondContact O-CB 3.46Å; P410-A413 PolarHBondContact O-N 2.83Å; P410-A413 VanDerWaalsContact O-N 3.17Å; P410-E414 WeakPolarHBondContact O-CG 3.44Å; P410-E414 PolarHBondContact O-N 2.96Å
411	E	67.1	Low	61	Low	80 Å²	80	78 Å²	78	37%	0.374	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-37.7	176.4	-68.3	167.6	-140.3	0	0	112.6	R409 A415	R409-E411 VanDerWaalsContact C-N 3.33Å; R409-E411 IonicContact CZ-OE1 3.33Å; R409-E411 IonicContact CZ-OE2 3.03Å; R409-E411 IonicContact NE-OE1 3.2Å; R409-E411 PolarHBondContact NE-OE1 2.99Å; R409-E411 IonicContact NE-OE2 2.82Å; R409-E411 PolarHBondContact NE-OE2 3.36Å; R409-E411 IonicContact NH2-OE1 3.09Å; R409-E411 PolarHBondContact NH2-OE1 3.32Å; R409-E411 IonicContact NH2-OE2 2.62Å; R409-E411 PolarHBondContact NH2-OE2 2.97Å; R409-E411 PolarHBondContact O-N 3.11Å; E411-A415 WeakPolarHBondContact O-CB 3.43Å; E411-A415 PolarHBondContact O-N 2.75Å
412	Y	68.7	Low	62.1	Low	68 Å²	68	80.3 Å²	80.3	27%	0.267	39%	0.389	S	S	.	.	H	α-helix	trans	-68.6	-41.2	175	-175.4	-86.8	0	0	0	110.9	L408 R409 P410 A415 L416 L526 P527 K528	L408-Y412 HydrophobicContact CD2-CD1 3.62Å; L408-Y412 HydrophobicContact CD2-CE1 3.74Å; R409-Y412 WeakPolarHBondContact O-CA 3.49Å; R409-Y412 WeakPolarHBondContact O-CB 3.35Å; R409-Y412 PolarHBondContact O-N 3.22Å; P410-Y412 VanDerWaalsContact C-N 3.31Å; P410-Y412 PolarHBondContact O-N 3.48Å; Y412-A415 PolarHBondContact O-N 3.39Å; Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 VanDerWaalsContact O-CB 3.22Å; Y412-L416 WeakPolarHBondContact O-CB 3.24Å; Y412-L416 PolarHBondContact O-N 3.41Å; Y412-L526 HydrophobicContact CD2-CB 4.44Å; Y412-L526 VanDerWaalsContact CD2-O 3.28Å; Y412-L526 WeakPolarHBondContact CD2-O 3.17Å; Y412-L526 WeakPolarHBondContact CE2-O 3.44Å; Y412-P527 WeakPolarHBondContact CD2-O 3.06Å; Y412-K528 HydrophobicContact CE1-CG 4.23Å
413	A	64.6	Low	63	Low	13 Å²	13	78.2 Å²	78.2	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-44.9	176	0	0	0	0	0	111.4	R409 P410 L416 Q417	R409-A413 PolarHBondContact O-N 2.93Å; P410-A413 WeakPolarHBondContact O-CB 3.46Å; P410-A413 PolarHBondContact O-N 2.83Å; P410-A413 VanDerWaalsContact O-N 3.17Å; A413-L416 WeakPolarHBondContact O-CB 3.48Å; A413-L416 PolarHBondContact O-N 3.41Å; A413-Q417 WeakPolarHBondContact O-CG 3.38Å; A413-Q417 PolarHBondContact O-N 3.39Å
414	E	67.4	Low	64.1	Low	76 Å²	76	78.5 Å²	78.5	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-47.2	174.9	-72.6	-175.6	171	0	0	111.4	R226 P410 L416 Q417 E418	R226-E414 IonicContact CZ-OE1 2.7Å; R226-E414 IonicContact NE-OE1 2.66Å; R226-E414 IonicContact NH2-OE1 2.53Å; R226-E414 PolarHBondContact NH2-OE1 2.85Å; P410-E414 WeakPolarHBondContact O-CG 3.44Å; P410-E414 PolarHBondContact O-N 2.96Å; E414-L416 VanDerWaalsContact C-N 3.29Å; E414-L416 PolarHBondContact O-N 3.36Å; E414-Q417 WeakPolarHBondContact O-CB 3.48Å; E414-Q417 PolarHBondContact O-N 3.37Å; E414-Q417 VanDerWaalsContact O-N 3.17Å; E414-E418 PolarHBondContact O-N 3.48Å
415	A	67.9	Low	64.9	Low	25 Å²	25	77.5 Å²	77.5	21%	0.207	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-37	175.6	0	0	0	0	0	112.3	E411 Y412 K419 L526	E411-A415 WeakPolarHBondContact O-CB 3.43Å; E411-A415 PolarHBondContact O-N 2.75Å; Y412-A415 PolarHBondContact O-N 3.39Å; A415-K419 WeakPolarHBondContact O-CB 3.32Å; A415-K419 WeakPolarHBondContact O-CG 3.41Å; A415-K419 PolarHBondContact O-N 2.88Å; A415-L526 HydrophobicContact CB-CD1 4.26Å
416	L	68.1	Low	65.7	Low	57 Å²	57	78.9 Å²	78.9	30%	0.298	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-40.2	175.2	-179.3	64.5	0	0	0	111.3	Y412 A413 E414 K419 K420	Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 VanDerWaalsContact O-CB 3.22Å; Y412-L416 WeakPolarHBondContact O-CB 3.24Å; Y412-L416 PolarHBondContact O-N 3.41Å; A413-L416 WeakPolarHBondContact O-CB 3.48Å; A413-L416 PolarHBondContact O-N 3.41Å; E414-L416 VanDerWaalsContact C-N 3.29Å; E414-L416 PolarHBondContact O-N 3.36Å; L416-K419 PolarHBondContact O-N 3.01Å; L416-K420 HydrophobicContact CG-CD 4.33Å; L416-K420 WeakPolarHBondContact O-CB 3.15Å; L416-K420 VanDerWaalsContact O-CG 3.3Å; L416-K420 WeakPolarHBondContact O-CG 3.36Å; L416-K420 PolarHBondContact O-N 2.77Å
417	Q	67.3	Low	66.2	Low	51 Å²	51	77.5 Å²	77.5	24%	0.238	40%	0.399	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.3	-76.1	-161.4	-34.4	0	0	112.1	Q215 T216 A413 E414 K419 K420 A421	Q215-Q417 PolarHBondContact O-OE1 3.11Å; T216-Q417 VanDerWaalsContact OG1-CD 3.31Å; T216-Q417 PolarHBondContact OG1-NE2 3.02Å; A413-Q417 WeakPolarHBondContact O-CG 3.38Å; A413-Q417 PolarHBondContact O-N 3.39Å; E414-Q417 WeakPolarHBondContact O-CB 3.48Å; E414-Q417 PolarHBondContact O-N 3.37Å; E414-Q417 VanDerWaalsContact O-N 3.17Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 3.2Å; Q417-K420 CarbonylContact O-C 3.58Å; Q417-K420 WeakPolarHBondContact O-CB 3.31Å; Q417-K420 PolarHBondContact O-N 3.4Å; Q417-K420 VanDerWaalsContact O-N 3.12Å; Q417-A421 WeakPolarHBondContact O-CB 3.4Å; Q417-A421 PolarHBondContact O-N 3.31Å
418	E	70.2	Confident	66.2	Low	107 Å²	107	82.3 Å²	82.3	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-61	-42.4	176.8	-159.5	-151	-175	0	0	110.5	E414 A421 K422	E414-E418 PolarHBondContact O-N 3.48Å; E418-A421 PolarHBondContact O-N 2.77Å; E418-K422 WeakPolarHBondContact O-CB 3.22Å; E418-K422 VanDerWaalsContact O-CG 3.31Å; E418-K422 WeakPolarHBondContact O-CG 3.42Å; E418-K422 PolarHBondContact O-N 2.84Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.28Å; E418-K422 PolarHBondContact OE1-NZ 3.18Å; E418-K422 IonicContact OE2-NZ 3.8Å; E418-K422 PolarHBondContact OE2-NZ 2.93Å
419	K	69.1	Low	65.6	Low	120 Å²	120	87.8 Å²	87.8	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-44	171.8	-78.6	178.7	-178.5	170.2	0	112.4	A415 L416 Q417 A421 K422 L423	A415-K419 WeakPolarHBondContact O-CB 3.32Å; A415-K419 WeakPolarHBondContact O-CG 3.41Å; A415-K419 PolarHBondContact O-N 2.88Å; L416-K419 PolarHBondContact O-N 3.01Å; Q417-K419 VanDerWaalsContact C-N 3.3Å; Q417-K419 PolarHBondContact O-N 3.2Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 3.12Å; K419-K422 PolarHBondContact O-N 3.42Å; K419-L423 WeakPolarHBondContact O-CB 3.47Å; K419-L423 PolarHBondContact O-N 3.43Å
420	K	67.2	Low	64.6	Low	112 Å²	112	95.9 Å²	95.9	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.9	-77.2	173.1	179.8	173.6	0	111.5	L416 Q417 L423 K424	L416-K420 HydrophobicContact CG-CD 4.33Å; L416-K420 WeakPolarHBondContact O-CB 3.15Å; L416-K420 VanDerWaalsContact O-CG 3.3Å; L416-K420 WeakPolarHBondContact O-CG 3.36Å; L416-K420 PolarHBondContact O-N 2.77Å; Q417-K420 CarbonylContact O-C 3.58Å; Q417-K420 WeakPolarHBondContact O-CB 3.31Å; Q417-K420 PolarHBondContact O-N 3.4Å; Q417-K420 VanDerWaalsContact O-N 3.12Å; K420-L423 PolarHBondContact O-N 2.86Å; K420-K424 WeakPolarHBondContact O-CB 3.44Å; K420-K424 VanDerWaalsContact O-CG 3.31Å; K420-K424 WeakPolarHBondContact O-CG 3.43Å; K420-K424 PolarHBondContact O-N 3.5Å
421	A	69.1	Low	63.4	Low	49 Å²	49	102 Å²	102	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-45.1	176.2	0	0	0	0	0	111.3	Q417 E418 K419 L423 K424 A425	Q417-A421 WeakPolarHBondContact O-CB 3.4Å; Q417-A421 PolarHBondContact O-N 3.31Å; E418-A421 PolarHBondContact O-N 2.77Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-A421 PolarHBondContact O-N 3.12Å; A421-L423 PolarHBondContact O-N 3.46Å; A421-K424 PolarHBondContact O-N 3.41Å; A421-A425 WeakPolarHBondContact O-CB 3.18Å; A421-A425 PolarHBondContact O-N 2.81Å
422	K	72.1	Confident	62.2	Low	108 Å²	108	103.6 Å²	103.6	47%	0.47	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-41.7	173.5	-73.1	172.2	-178.4	165.5	0	111.8	E418 K419 A425 Q426	E418-K422 WeakPolarHBondContact O-CB 3.22Å; E418-K422 VanDerWaalsContact O-CG 3.31Å; E418-K422 WeakPolarHBondContact O-CG 3.42Å; E418-K422 PolarHBondContact O-N 2.84Å; E418-K422 WeakPolarHBondContact OE1-CE 3.46Å; E418-K422 IonicContact OE1-NZ 3.28Å; E418-K422 PolarHBondContact OE1-NZ 3.18Å; E418-K422 IonicContact OE2-NZ 3.8Å; E418-K422 PolarHBondContact OE2-NZ 2.93Å; K419-K422 PolarHBondContact O-N 3.42Å; K422-A425 PolarHBondContact O-N 2.81Å; K422-Q426 WeakPolarHBondContact O-CB 3.44Å; K422-Q426 WeakPolarHBondContact O-CG 3.49Å; K422-Q426 PolarHBondContact O-N 3.37Å
423	L	64.3	Low	61.1	Low	110 Å²	110	112 Å²	112	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-65.5	-41.4	174.2	-86.3	162.8	0	0	0	112.5	K419 K420 A421 A425 Q426 A427	K419-L423 WeakPolarHBondContact O-CB 3.47Å; K419-L423 PolarHBondContact O-N 3.43Å; K420-L423 PolarHBondContact O-N 2.86Å; A421-L423 PolarHBondContact O-N 3.46Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-Q426 PolarHBondContact O-N 3.44Å; L423-A427 VanDerWaalsContact O-CB 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.48Å; L423-A427 PolarHBondContact O-N 3.49Å
424	K	66.1	Low	60	Low	156 Å²	156	118.2 Å²	118.2	68%	0.678	59%	0.586	S	S	*	*	H	α-helix	trans	-65.5	-37.4	173.9	-76	176.9	-178.5	-179.2	0	111.8	K420 A421 A427 K428	K420-K424 WeakPolarHBondContact O-CB 3.44Å; K420-K424 VanDerWaalsContact O-CG 3.31Å; K420-K424 WeakPolarHBondContact O-CG 3.43Å; K420-K424 PolarHBondContact O-N 3.5Å; A421-K424 PolarHBondContact O-N 3.41Å; K424-A427 PolarHBondContact O-N 3.49Å; K424-K428 PolarHBondContact O-N 2.84Å
425	A	65	Low	58.7	Low	61 Å²	61	118.5 Å²	118.5	50%	0.504	60%	0.596	S	S	.	*	H	α-helix	trans	-68.3	-38.3	174.2	0	0	0	0	0	111.9	A421 K422 L423 K428	A421-A425 WeakPolarHBondContact O-CB 3.18Å; A421-A425 PolarHBondContact O-N 2.81Å; K422-A425 PolarHBondContact O-N 2.81Å; L423-A425 VanDerWaalsContact C-N 3.34Å; A425-K428 PolarHBondContact O-N 3.19Å
426	Q	63.4	Low	57.9	Low	134 Å²	134	121.9 Å²	121.9	63%	0.626	62%	0.616	S	S	*	*	H	α-helix	trans	-71.5	-36.3	173.3	-78.9	-177.7	-21.6	0	0	112.3	K422 L423 K428 K429	K422-Q426 WeakPolarHBondContact O-CB 3.44Å; K422-Q426 WeakPolarHBondContact O-CG 3.49Å; K422-Q426 PolarHBondContact O-N 3.37Å; L423-Q426 PolarHBondContact O-N 3.44Å; Q426-K428 PolarHBondContact O-N 2.91Å; Q426-K429 CarbonylContact O-C 3.5Å; Q426-K429 WeakPolarHBondContact O-CA 3.34Å; Q426-K429 PolarHBondContact O-N 3.36Å
427	A	58.1	Low	56.8	Low	84 Å²	84	126 Å²	126	69%	0.694	63%	0.631	S	S	*	*	H	α-helix	trans	-65	-24.1	175.3	0	0	0	0	0	112.9	L423 K424 K429	L423-A427 VanDerWaalsContact O-CB 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.48Å; L423-A427 PolarHBondContact O-N 3.49Å; K424-A427 PolarHBondContact O-N 3.49Å; A427-K429 VanDerWaalsContact C-N 3.31Å
428	K	56.4	Low	55.8	Low	189 Å²	189	128.5 Å²	128.5	82%	0.822	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-17.5	169.7	-75.8	-177.2	177	-177.2	0	113.3	K424 A425 Q426	K424-K428 PolarHBondContact O-N 2.84Å; A425-K428 PolarHBondContact O-N 3.19Å; Q426-K428 PolarHBondContact O-N 2.91Å
429	K	52.3	Low	55.1	Low	171 Å²	171	127.1 Å²	127.1	74%	0.743	65%	0.645	S	S	*	*	S	Bend	trans	-102.1	101.5	169.9	-73	-176.1	176.9	-178.4	0	108.7	Q426 A427 L431	Q426-K429 CarbonylContact O-C 3.5Å; Q426-K429 WeakPolarHBondContact O-CA 3.34Å; Q426-K429 PolarHBondContact O-N 3.36Å; A427-K429 VanDerWaalsContact C-N 3.31Å; K429-L431 PolarHBondContact O-N 2.88Å
430	K	48	Very low	54.4	Low	209 Å²	209	129.8 Å²	129.8	91%	0.909	65%	0.653	S	S	*	*			trans	-53.2	103.4	177	-77.7	-179.3	175.8	177.4	0	111.3
431	L	39.7	Very low	53.7	Low	162 Å²	162	127.6 Å²	127.6	85%	0.848	65%	0.646	S	S	*	*			trans	-148.1	158.8	163.8	-132.8	85.1	0	0	0	108.6	K429	K429-L431 PolarHBondContact O-N 2.88Å
432	P	42.2	Very low	53.1	Low	114 Å²	114	131.9 Å²	131.9	74%	0.74	66%	0.656	S	S	*	*			trans	-85.3	151.6	-139	7	18.5	0	0	0	111.2	N434	P432-N434 PolarHBondContact O-N 3.18Å
433	R	44.4	Very low	52.7	Low	245 Å²	245	132.4 Å²	132.4	93%	0.925	66%	0.658	S	S	*	*	S	Bend	trans	-73.4	82.9	178.2	-165.3	180	-164.6	132.5	-1.8	109.4
434	N	41.9	Very low	52.4	Low	143 Å²	143	133.5 Å²	133.5	77%	0.765	66%	0.658	S	S	*	*			trans	-173.9	113.7	154.2	-100.1	-11.9	0	0	0	110	P432	P432-N434 PolarHBondContact O-N 3.18Å
435	C	39.5	Very low	52	Low	82 Å²	82	129.7 Å²	129.7	55%	0.554	65%	0.645	S	S	*	*			trans	-179.8	84	136.3	-94.4	0	0	0	0	111	F437 L438	C435-F437 HydrophobicContact CB-CB 4.26Å; C435-F437 PolarHBondContact O-N 3.02Å; C435-L438 HydrophobicContact CB-CB 4.43Å; C435-L438 PolarHBondContact O-N 3.47Å
436	P	51.5	Low	52	Low	96 Å²	96	129.4 Å²	129.4	62%	0.623	64%	0.635	S	S	*	*	H	α-helix	trans	-53	-20.9	150	20.6	-29.1	0	0	0	112.1	L438 T439 Y440	P436-L438 PolarHBondContact O-N 2.8Å; P436-T439 PolarHBondContact O-N 3.2Å; P436-Y440 WeakPolarHBondContact O-CD2 3.48Å; P436-Y440 PolarHBondContact O-N 2.87Å
437	F	44.5	Very low	52.3	Low	142 Å²	142	131 Å²	131	62%	0.623	64%	0.637	S	S	*	*	H	α-helix	trans	-59.8	-38.1	176.7	-171.5	-108.7	0	0	0	115	C435 T439 Y440 L441	C435-F437 HydrophobicContact CB-CB 4.26Å; C435-F437 PolarHBondContact O-N 3.02Å; F437-T439 PolarHBondContact O-N 3.33Å; F437-Y440 PolarHBondContact O-N 3.02Å; F437-L441 HydrophobicContact CD1-CD1 4.17Å; F437-L441 HydrophobicContact CE1-CD1 3.49Å; F437-L441 VanDerWaalsContact CE1-CD1 3.49Å; F437-L441 HydrophobicContact CE2-CD1 4.15Å; F437-L441 HydrophobicContact CZ-CD1 3.47Å; F437-L441 VanDerWaalsContact CZ-CD1 3.47Å; F437-L441 WeakPolarHBondContact O-CB 3.49Å; F437-L441 PolarHBondContact O-N 3.07Å
438	L	47.5	Very low	52.8	Low	104 Å²	104	132.2 Å²	132.2	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-71.8	-31.7	-178.5	-169.4	71.7	0	0	0	112.3	C435 P436 K442	C435-L438 HydrophobicContact CB-CB 4.43Å; C435-L438 PolarHBondContact O-N 3.47Å; P436-L438 PolarHBondContact O-N 2.8Å; L438-K442 WeakPolarHBondContact O-CG 3.22Å; L438-K442 PolarHBondContact O-N 3.41Å
439	T	54.5	Low	53.1	Low	78 Å²	78	127.5 Å²	127.5	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-69.5	-45.9	173	-55.8	0	0	0	0	110.3	P436 F437 L441 K442 F443	P436-T439 PolarHBondContact O-N 3.2Å; F437-T439 PolarHBondContact O-N 3.33Å; T439-L441 VanDerWaalsContact C-N 3.32Å; T439-L441 PolarHBondContact O-N 3.47Å; T439-K442 PolarHBondContact O-N 2.91Å; T439-F443 HydrophobicContact CG2-CD2 3.75Å; T439-F443 HydrophobicContact CG2-CE2 3.57Å; T439-F443 WeakPolarHBondContact O-CD2 3.39Å; T439-F443 PolarHBondContact O-N 3.45Å
440	Y	55.4	Low	53.8	Low	176 Å²	176	119.9 Å²	119.9	69%	0.69	58%	0.581	S	S	*	*	H	α-helix	trans	-60.1	-39.3	172.3	-91.7	-86	0	0	0	112.4	P436 F437 K442 F443 F444	P436-Y440 WeakPolarHBondContact O-CD2 3.48Å; P436-Y440 PolarHBondContact O-N 2.87Å; F437-Y440 PolarHBondContact O-N 3.02Å; Y440-K442 VanDerWaalsContact C-N 3.34Å; Y440-K442 PolarHBondContact O-N 2.92Å; Y440-F443 PolarHBondContact O-N 3.46Å; Y440-F444 WeakPolarHBondContact O-CB 3.37Å; Y440-F444 PolarHBondContact O-N 3.41Å
441	L	51.9	Low	54.9	Low	66 Å²	66	111.9 Å²	111.9	35%	0.346	55%	0.551	S	S	.	*	H	α-helix	trans	-67.5	-33.7	176.7	-138.5	103.9	0	0	0	112.3	F437 T439 N445	F437-L441 HydrophobicContact CD1-CD1 4.17Å; F437-L441 HydrophobicContact CE1-CD1 3.49Å; F437-L441 VanDerWaalsContact CE1-CD1 3.49Å; F437-L441 HydrophobicContact CE2-CD1 4.15Å; F437-L441 HydrophobicContact CZ-CD1 3.47Å; F437-L441 VanDerWaalsContact CZ-CD1 3.47Å; F437-L441 WeakPolarHBondContact O-CB 3.49Å; F437-L441 PolarHBondContact O-N 3.07Å; T439-L441 VanDerWaalsContact C-N 3.32Å; T439-L441 PolarHBondContact O-N 3.47Å; L441-N445 WeakPolarHBondContact O-CB 3.28Å; L441-N445 PolarHBondContact O-N 3.4Å; L441-N445 PolarHBondContact O-ND2 3.28Å; L441-N445 VanDerWaalsContact O-ND2 3.09Å
442	K	57.2	Low	56.3	Low	140 Å²	140	109 Å²	109	61%	0.609	54%	0.537	S	S	*	.	H	α-helix	trans	-72.3	-40.1	173.6	-77.5	-178.1	179.3	-173.6	0	112.3	L438 T439 Y440 L446	L438-K442 WeakPolarHBondContact O-CG 3.22Å; L438-K442 PolarHBondContact O-N 3.41Å; T439-K442 PolarHBondContact O-N 2.91Å; Y440-K442 VanDerWaalsContact C-N 3.34Å; Y440-K442 PolarHBondContact O-N 2.92Å; K442-L446 WeakPolarHBondContact O-CB 3.37Å; K442-L446 PolarHBondContact O-N 2.88Å
443	F	62.2	Low	57.5	Low	119 Å²	119	104.8 Å²	104.8	52%	0.522	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-39.6	172.3	-82	-71.2	0	0	0	111.5	T439 Y440 L446 Y447	T439-F443 HydrophobicContact CG2-CD2 3.75Å; T439-F443 HydrophobicContact CG2-CE2 3.57Å; T439-F443 WeakPolarHBondContact O-CD2 3.39Å; T439-F443 PolarHBondContact O-N 3.45Å; Y440-F443 PolarHBondContact O-N 3.46Å; F443-L446 PolarHBondContact O-N 3.49Å; F443-Y447 WeakPolarHBondContact O-CB 3.45Å; F443-Y447 PolarHBondContact O-N 3.44Å
444	F	59	Low	58.8	Low	133 Å²	133	95.3 Å²	95.3	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-66.6	-44.7	174.7	-175.4	-96.3	0	0	0	111.4	Y440 Y447 F448	Y440-F444 WeakPolarHBondContact O-CB 3.37Å; Y440-F444 PolarHBondContact O-N 3.41Å; F444-Y447 PolarHBondContact O-N 2.96Å; F444-F448 WeakPolarHBondContact O-CA 3.17Å; F444-F448 WeakPolarHBondContact O-CB 3.33Å; F444-F448 PolarHBondContact O-N 2.81Å
445	N	57.7	Low	60.3	Low	76 Å²	76	92.2 Å²	92.2	41%	0.406	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-40.5	174.9	-77.2	-29.8	0	0	0	111.3	L441 F448 T449	L441-N445 WeakPolarHBondContact O-CB 3.28Å; L441-N445 PolarHBondContact O-N 3.4Å; L441-N445 PolarHBondContact O-ND2 3.28Å; L441-N445 VanDerWaalsContact O-ND2 3.09Å; N445-F448 PolarHBondContact O-N 2.98Å; N445-T449 WeakPolarHBondContact O-CB 3.31Å; N445-T449 PolarHBondContact O-N 3.49Å; N445-T449 PolarHBondContact O-OG1 3.29Å
446	L	64.8	Low	61.8	Low	54 Å²	54	94.8 Å²	94.8	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-49.7	175.5	-176.5	63.8	0	0	0	110.8	K442 F443 F448 T449 V450	K442-L446 WeakPolarHBondContact O-CB 3.37Å; K442-L446 PolarHBondContact O-N 2.88Å; F443-L446 PolarHBondContact O-N 3.49Å; L446-F448 VanDerWaalsContact C-N 3.29Å; L446-F448 PolarHBondContact O-N 3.01Å; L446-T449 PolarHBondContact O-N 3.12Å; L446-V450 HydrophobicContact CD1-CG2 4.42Å; L446-V450 WeakPolarHBondContact O-CB 3.42Å; L446-V450 WeakPolarHBondContact O-CG2 3.4Å; L446-V450 PolarHBondContact O-N 3.43Å
447	Y	70.2	Confident	62.6	Low	168 Å²	168	90.6 Å²	90.6	66%	0.659	45%	0.445	S	S	*	.	H	α-helix	trans	-59.2	-39.6	175	-177.5	-96.9	0	0	0	112.2	F443 F444 S451	F443-Y447 WeakPolarHBondContact O-CB 3.45Å; F443-Y447 PolarHBondContact O-N 3.44Å; F444-Y447 PolarHBondContact O-N 2.96Å; Y447-S451 WeakPolarHBondContact O-CB 3.19Å; Y447-S451 PolarHBondContact O-N 2.91Å; Y447-S451 PolarHBondContact O-OG 3.37Å
448	F	67.4	Low	64	Low	109 Å²	109	85.5 Å²	85.5	48%	0.478	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-44.1	175.6	-177.5	-98.9	0	0	0	111.4	F444 N445 L446 V450 S451 L452	F444-F448 WeakPolarHBondContact O-CA 3.17Å; F444-F448 WeakPolarHBondContact O-CB 3.33Å; F444-F448 PolarHBondContact O-N 2.81Å; N445-F448 PolarHBondContact O-N 2.98Å; L446-F448 VanDerWaalsContact C-N 3.29Å; L446-F448 PolarHBondContact O-N 3.01Å; F448-V450 VanDerWaalsContact C-N 3.34Å; F448-V450 PolarHBondContact O-N 3.46Å; F448-S451 PolarHBondContact O-N 2.95Å; F448-L452 HydrophobicContact CE1-CD1 4.42Å; F448-L452 HydrophobicContact CZ-CD1 4.22Å; F448-L452 WeakPolarHBondContact O-CB 3.36Å; F448-L452 PolarHBondContact O-N 2.87Å
449	T	62.6	Low	65.4	Low	90 Å²	90	87.1 Å²	87.1	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-67.5	-37.4	178.7	-41	0	0	0	0	110.8	N445 L446 G453	N445-T449 WeakPolarHBondContact O-CB 3.31Å; N445-T449 PolarHBondContact O-N 3.49Å; N445-T449 PolarHBondContact O-OG1 3.29Å; L446-T449 PolarHBondContact O-N 3.12Å; T449-G453 PolarHBondContact O-N 3.23Å
450	V	68.5	Low	66.3	Low	12 Å²	12	85.8 Å²	85.8	7%	0.073	42%	0.418	C	S	.	.	H	α-helix	trans	-66.7	-47.5	174.1	167.9	0	0	0	0	111.1	L446 F448 L452 G453 L454 L521 E525	L446-V450 HydrophobicContact CD1-CG2 4.42Å; L446-V450 WeakPolarHBondContact O-CB 3.42Å; L446-V450 WeakPolarHBondContact O-CG2 3.4Å; L446-V450 PolarHBondContact O-N 3.43Å; F448-V450 VanDerWaalsContact C-N 3.34Å; F448-V450 PolarHBondContact O-N 3.46Å; V450-L452 VanDerWaalsContact C-N 3.32Å; V450-L452 PolarHBondContact O-N 2.85Å; V450-G453 PolarHBondContact O-N 3.13Å; V450-L454 WeakPolarHBondContact O-CB 3.38Å; V450-L454 PolarHBondContact O-N 3.03Å; V450-L521 HydrophobicContact CB-CD1 4.11Å; V450-L521 HydrophobicContact CG1-CD1 4.02Å; V450-L521 HydrophobicContact CG1-CD2 4.14Å; V450-L521 HydrophobicContact CG1-CG 4.13Å; V450-L521 HydrophobicContact CG2-CD1 3.79Å; V450-L521 HydrophobicContact CG2-CG 4.5Å; V450-E525 WeakPolarHBondContact CG1-OE1 3.14Å; V450-E525 HydrophobicContact CG2-CG 3.9Å
451	S	70.8	Confident	67	Low	40 Å²	40	77.5 Å²	77.5	28%	0.28	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-39.4	177.7	-61	0	0	0	0	111.1	Y447 F448 L454 C455	Y447-S451 WeakPolarHBondContact O-CB 3.19Å; Y447-S451 PolarHBondContact O-N 2.91Å; Y447-S451 PolarHBondContact O-OG 3.37Å; F448-S451 PolarHBondContact O-N 2.95Å; S451-L454 PolarHBondContact O-N 2.84Å; S451-C455 WeakPolarHBondContact O-CB 3.39Å; S451-C455 PolarHBondContact O-N 3.14Å; S451-C455 PolarHBondContact O-SG 2.67Å
452	L	68.3	Low	68	Low	102 Å²	102	80 Å²	80	53%	0.534	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-39.5	175.1	-157.9	86.3	0	0	0	111.2	F448 V450 C455 F456	F448-L452 HydrophobicContact CE1-CD1 4.42Å; F448-L452 HydrophobicContact CZ-CD1 4.22Å; F448-L452 WeakPolarHBondContact O-CB 3.36Å; F448-L452 PolarHBondContact O-N 2.87Å; V450-L452 VanDerWaalsContact C-N 3.32Å; V450-L452 PolarHBondContact O-N 2.85Å; L452-C455 PolarHBondContact O-N 3.08Å; L452-F456 VanDerWaalsContact O-CB 3.25Å; L452-F456 WeakPolarHBondContact O-CB 3.41Å; L452-F456 PolarHBondContact O-N 3.19Å
453	G	68.1	Low	68.9	Low	26 Å²	26	76.3 Å²	76.3	27%	0.268	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-38.2	174.2	0	0	0	0	0	112.9	T449 V450 F456 T457	T449-G453 PolarHBondContact O-N 3.23Å; V450-G453 PolarHBondContact O-N 3.13Å; G453-F456 PolarHBondContact O-N 3.01Å; G453-T457 WeakPolarHBondContact O-CG2 3.32Å; G453-T457 PolarHBondContact O-N 2.92Å; G453-T457 PolarHBondContact O-OG1 3.32Å
454	L	71	Confident	69.3	Low	45 Å²	45	72 Å²	72	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-46.3	172.3	-160.9	96.7	0	0	0	110.8	V450 S451 F456 T457 I458 F543 L544	V450-L454 WeakPolarHBondContact O-CB 3.38Å; V450-L454 PolarHBondContact O-N 3.03Å; S451-L454 PolarHBondContact O-N 2.84Å; L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 PolarHBondContact O-N 3Å; L454-T457 WeakPolarHBondContact CA-OG1 3.49Å; L454-T457 PolarHBondContact O-N 3.46Å; L454-T457 PolarHBondContact O-OG1 2.91Å; L454-I458 HydrophobicContact CD2-CD1 4.26Å; L454-I458 HydrophobicContact CG-CD1 4.38Å; L454-I458 WeakPolarHBondContact O-CB 3.31Å; L454-I458 WeakPolarHBondContact O-CD1 3.3Å; L454-I458 WeakPolarHBondContact O-CG1 3.48Å; L454-I458 PolarHBondContact O-N 3.47Å; L454-F543 HydrophobicContact CD2-CD1 4.31Å; L454-F543 HydrophobicContact CD2-CE1 4.16Å; L454-L544 HydrophobicContact CD1-CD2 4.35Å
455	C	74	Confident	70	Confident	78 Å²	78	66.3 Å²	66.3	53%	0.527	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-38	174.9	-72.2	0	0	0	0	112.4	S451 L452 I458 F459	S451-C455 WeakPolarHBondContact O-CB 3.39Å; S451-C455 PolarHBondContact O-N 3.14Å; S451-C455 PolarHBondContact O-SG 2.67Å; L452-C455 PolarHBondContact O-N 3.08Å; C455-I458 PolarHBondContact O-N 3.33Å; C455-F459 WeakPolarHBondContact O-CB 3.35Å; C455-F459 PolarHBondContact O-N 3.43Å
456	F	71.5	Confident	70.8	Confident	136 Å²	136	67 Å²	67	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-44.5	176.8	178.2	-101.5	0	0	0	111.6	L452 G453 L454 I458 F459 V460	L452-F456 VanDerWaalsContact O-CB 3.25Å; L452-F456 WeakPolarHBondContact O-CB 3.41Å; L452-F456 PolarHBondContact O-N 3.19Å; G453-F456 PolarHBondContact O-N 3.01Å; L454-F456 VanDerWaalsContact C-N 3.3Å; L454-F456 PolarHBondContact O-N 3Å; F456-I458 VanDerWaalsContact C-N 3.33Å; F456-I458 PolarHBondContact O-N 2.98Å; F456-F459 WeakPolarHBondContact O-CB 3.44Å; F456-F459 PolarHBondContact O-N 3.27Å; F456-F459 VanDerWaalsContact O-N 3.15Å; F456-V460 HydrophobicContact CD1-CG2 4.31Å; F456-V460 HydrophobicContact CE1-CG2 3.92Å; F456-V460 HydrophobicContact CE2-CG2 4.48Å; F456-V460 HydrophobicContact CZ-CG2 4.02Å; F456-V460 WeakPolarHBondContact O-CG2 3.23Å; F456-V460 PolarHBondContact O-N 2.88Å
457	T	68.1	Low	71.2	Confident	8 Å²	8	66.2 Å²	66.2	5%	0.049	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-37.1	176.6	44.7	0	0	0	0	112.2	G453 L454 V460 T461 Y514 I517 L544	G453-T457 WeakPolarHBondContact O-CG2 3.32Å; G453-T457 PolarHBondContact O-N 2.92Å; G453-T457 PolarHBondContact O-OG1 3.32Å; L454-T457 WeakPolarHBondContact CA-OG1 3.49Å; L454-T457 PolarHBondContact O-N 3.46Å; L454-T457 PolarHBondContact O-OG1 2.91Å; T457-V460 PolarHBondContact O-N 2.87Å; T457-T461 PolarHBondContact O-N 3.16Å; T457-Y514 HydrophobicContact CG2-CE1 4.28Å; T457-I517 HydrophobicContact CG2-CD1 4.16Å; T457-I517 HydrophobicContact CG2-CG2 3.99Å; T457-L544 VanDerWaalsContact OG1-CD2 3.28Å; T457-L544 WeakPolarHBondContact OG1-CD2 3.34Å
458	I	72.9	Confident	71.3	Confident	35 Å²	35	59 Å²	59	18%	0.179	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-48	169.3	-66.8	165	0	0	0	110.5	L454 C455 F456 V460 T461 F462 F543 M547	L454-I458 HydrophobicContact CD2-CD1 4.26Å; L454-I458 HydrophobicContact CG-CD1 4.38Å; L454-I458 WeakPolarHBondContact O-CB 3.31Å; L454-I458 WeakPolarHBondContact O-CD1 3.3Å; L454-I458 WeakPolarHBondContact O-CG1 3.48Å; L454-I458 PolarHBondContact O-N 3.47Å; C455-I458 PolarHBondContact O-N 3.33Å; F456-I458 VanDerWaalsContact C-N 3.33Å; F456-I458 PolarHBondContact O-N 2.98Å; I458-V460 VanDerWaalsContact C-N 3.26Å; I458-V460 PolarHBondContact O-N 3.24Å; I458-T461 PolarHBondContact O-N 3.33Å; I458-T461 VanDerWaalsContact O-N 3.07Å; I458-T461 PolarHBondContact O-OG1 3.33Å; I458-F462 HydrophobicContact CG2-CD2 3.77Å; I458-F462 HydrophobicContact CG2-CE2 3.69Å; I458-F462 WeakPolarHBondContact O-CD2 3.42Å; I458-F462 PolarHBondContact O-N 2.85Å; I458-F462 VanDerWaalsContact O-N 3.12Å; I458-F543 HydrophobicContact CD1-CE1 3.72Å; I458-F543 HydrophobicContact CD1-CZ 4.41Å; I458-F543 HydrophobicContact CG1-CE1 4.18Å; I458-M547 HydrophobicContact CB-CE 4.32Å; I458-M547 HydrophobicContact CD1-SD 4.19Å; I458-M547 HydrophobicContact CG1-CE 4Å; I458-M547 HydrophobicContact CG1-SD 3.79Å; I458-M547 HydrophobicContact CG2-CE 3.58Å; I458-M547 HydrophobicContact CG2-SD 4.49Å
459	F	78	Confident	71.5	Confident	139 Å²	139	54.1 Å²	54.1	61%	0.61	31%	0.305	S	S	*	.	H	α-helix	trans	-58.1	-40.3	177	-179.7	-96.5	0	0	0	112	C455 F456 T461 F462 S463	C455-F459 WeakPolarHBondContact O-CB 3.35Å; C455-F459 PolarHBondContact O-N 3.43Å; F456-F459 WeakPolarHBondContact O-CB 3.44Å; F456-F459 PolarHBondContact O-N 3.27Å; F456-F459 VanDerWaalsContact O-N 3.15Å; F459-T461 PolarHBondContact O-N 2.87Å; F459-F462 PolarHBondContact O-N 3.4Å; F459-S463 WeakPolarHBondContact O-CB 3.29Å; F459-S463 PolarHBondContact O-N 3.03Å
460	V	73.3	Confident	72.1	Confident	50 Å²	50	52 Å²	52	30%	0.303	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-41.5	174.8	172.7	0	0	0	0	111.6	F456 T457 I458 F462 S463 A464	F456-V460 HydrophobicContact CD1-CG2 4.31Å; F456-V460 HydrophobicContact CE1-CG2 3.92Å; F456-V460 HydrophobicContact CE2-CG2 4.48Å; F456-V460 HydrophobicContact CZ-CG2 4.02Å; F456-V460 WeakPolarHBondContact O-CG2 3.23Å; F456-V460 PolarHBondContact O-N 2.88Å; T457-V460 PolarHBondContact O-N 2.87Å; I458-V460 VanDerWaalsContact C-N 3.26Å; I458-V460 PolarHBondContact O-N 3.24Å; V460-F462 PolarHBondContact O-N 3.41Å; V460-S463 PolarHBondContact O-N 2.6Å; V460-A464 WeakPolarHBondContact O-CB 3.47Å; V460-A464 PolarHBondContact O-N 2.84Å
461	T	70.4	Confident	72.6	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-46.5	175.5	61.7	0	0	0	0	111.9	T457 I458 F459 S463 A464 V465 Y514 N548	T457-T461 PolarHBondContact O-N 3.16Å; I458-T461 PolarHBondContact O-N 3.33Å; I458-T461 VanDerWaalsContact O-N 3.07Å; I458-T461 PolarHBondContact O-OG1 3.33Å; F459-T461 PolarHBondContact O-N 2.87Å; T461-S463 VanDerWaalsContact C-N 3.32Å; T461-S463 PolarHBondContact O-N 3.12Å; T461-A464 PolarHBondContact O-N 3.3Å; T461-V465 WeakPolarHBondContact O-CG2 3.39Å; T461-V465 PolarHBondContact O-N 3.23Å; T461-Y514 HydrophobicContact CG2-CE1 4.35Å; T461-Y514 HydrophobicContact CG2-CE2 3.61Å; T461-Y514 VanDerWaalsContact CG2-CZ 3.41Å; T461-Y514 WeakPolarHBondContact CG2-OH 3.35Å; T461-Y514 PolarHBondContact N-OH 3.42Å; T461-N548 HydrophobicContact CG2-CB 4.26Å
462	F	73.1	Confident	72.7	Confident	117 Å²	117	53.1 Å²	53.1	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-35.9	178.8	-80	-75.1	0	0	0	111.9	I458 F459 V460 F466 M547	I458-F462 HydrophobicContact CG2-CD2 3.77Å; I458-F462 HydrophobicContact CG2-CE2 3.69Å; I458-F462 WeakPolarHBondContact O-CD2 3.42Å; I458-F462 PolarHBondContact O-N 2.85Å; I458-F462 VanDerWaalsContact O-N 3.12Å; F459-F462 PolarHBondContact O-N 3.4Å; V460-F462 PolarHBondContact O-N 3.41Å; F462-F466 VanDerWaalsContact O-CB 3.3Å; F462-F466 WeakPolarHBondContact O-CB 3.37Å; F462-F466 PolarHBondContact O-N 3.44Å; F462-M547 HydrophobicContact CE2-CE 3.81Å; F462-M547 HydrophobicContact CZ-CE 4.39Å
463	S	74.8	Confident	72.8	Confident	64 Å²	64	49 Å²	49	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-40.2	173.4	-178.5	0	0	0	0	112.1	F459 V460 T461 F466 G467	F459-S463 WeakPolarHBondContact O-CB 3.29Å; F459-S463 PolarHBondContact O-N 3.03Å; V460-S463 PolarHBondContact O-N 2.6Å; T461-S463 VanDerWaalsContact C-N 3.32Å; T461-S463 PolarHBondContact O-N 3.12Å; S463-F466 PolarHBondContact O-N 3.22Å; S463-G467 PolarHBondContact O-N 3.43Å
464	A	71.7	Confident	73.1	Confident	27 Å²	27	49.7 Å²	49.7	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-43.9	176.2	0	0	0	0	0	111.9	V460 T461 F466 G467 V468 V506 L510	V460-A464 WeakPolarHBondContact O-CB 3.47Å; V460-A464 PolarHBondContact O-N 2.84Å; T461-A464 PolarHBondContact O-N 3.3Å; A464-F466 VanDerWaalsContact C-N 3.32Å; A464-F466 PolarHBondContact O-N 3.27Å; A464-G467 PolarHBondContact O-N 2.87Å; A464-G467 VanDerWaalsContact O-N 3.15Å; A464-V468 PolarHBondContact O-N 2.87Å; A464-V506 HydrophobicContact CB-CG1 4.46Å; A464-L510 HydrophobicContact CB-CD1 3.79Å
465	V	72.3	Confident	73.2	Confident	14 Å²	14	50.2 Å²	50.2	9%	0.085	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-45.4	173.4	174.2	0	0	0	0	110.5	T461 G467 V468 V469 A551 P552 Y555	T461-V465 WeakPolarHBondContact O-CG2 3.39Å; T461-V465 PolarHBondContact O-N 3.23Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 3.34Å; V465-V468 PolarHBondContact O-N 3.33Å; V465-V469 WeakPolarHBondContact O-CG2 3.14Å; V465-V469 PolarHBondContact O-N 3.34Å; V465-A551 HydrophobicContact CG2-CB 3.97Å; V465-P552 HydrophobicContact CG2-CG 4.05Å; V465-Y555 HydrophobicContact CG1-CD2 4.41Å; V465-Y555 HydrophobicContact CG1-CG 4.08Å
466	F	74.7	Confident	73.1	Confident	90 Å²	90	49 Å²	49	40%	0.395	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-38.1	175.6	-175.6	-100.8	0	0	0	112.1	F462 S463 A464 V468 V469 V470 V573 F574	F462-F466 VanDerWaalsContact O-CB 3.3Å; F462-F466 WeakPolarHBondContact O-CB 3.37Å; F462-F466 PolarHBondContact O-N 3.44Å; S463-F466 PolarHBondContact O-N 3.22Å; A464-F466 VanDerWaalsContact C-N 3.32Å; A464-F466 PolarHBondContact O-N 3.27Å; F466-V468 PolarHBondContact O-N 2.94Å; F466-V469 WeakPolarHBondContact O-CB 3.43Å; F466-V469 PolarHBondContact O-N 2.92Å; F466-V470 HydrophobicContact CD1-CG2 4.16Å; F466-V470 HydrophobicContact CE1-CG2 3.82Å; F466-V470 HydrophobicContact CZ-CG2 4.11Å; F466-V470 WeakPolarHBondContact O-CG2 3.06Å; F466-V470 PolarHBondContact O-N 3.37Å; F466-V573 HydrophobicContact CE2-CG1 4.23Å; F466-V573 HydrophobicContact CZ-CG1 3.73Å; F466-F574 AromaticContact CE1-CE2 3.72Å; F466-F574 HydrophobicContact CE1-CE2 3.72Å; F466-F574 AromaticContact CE1-CZ 3.94Å; F466-F574 HydrophobicContact CE1-CZ 3.94Å; F466-F574 AromaticContact CZ-CE2 3.78Å; F466-F574 HydrophobicContact CZ-CE2 3.78Å; F466-F574 HydrophobicContact CZ-CZ 4.14Å
467	G	74.3	Confident	73	Confident	38 Å²	38	44.7 Å²	44.7	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-41.4	173.8	0	0	0	0	0	113.2	S463 A464 V465 V469 V470 Y471	S463-G467 PolarHBondContact O-N 3.43Å; A464-G467 PolarHBondContact O-N 2.87Å; A464-G467 VanDerWaalsContact O-N 3.15Å; V465-G467 VanDerWaalsContact C-N 3.29Å; V465-G467 PolarHBondContact O-N 3.34Å; G467-V469 VanDerWaalsContact C-N 3.32Å; G467-V469 PolarHBondContact O-N 3.49Å; G467-V470 PolarHBondContact O-N 3.03Å; G467-Y471 PolarHBondContact O-N 3.36Å
468	V	71.9	Confident	73.2	Confident	16 Å²	16	48.3 Å²	48.3	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-37.9	174.7	174	0	0	0	0	111.3	A464 V465 F466 Y471 R472 N503	A464-V468 PolarHBondContact O-N 2.87Å; V465-V468 PolarHBondContact O-N 3.33Å; F466-V468 PolarHBondContact O-N 2.94Å; V468-Y471 WeakPolarHBondContact O-CB 3.49Å; V468-Y471 PolarHBondContact O-N 3.38Å; V468-R472 WeakPolarHBondContact O-CG 3.35Å; V468-R472 PolarHBondContact O-N 2.75Å; V468-N503 HydrophobicContact CG1-CB 4.12Å
469	V	72.1	Confident	73.2	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-47.6	175.5	172.8	0	0	0	0	110.5	V465 F466 G467 Y471 R472 I473 Y555	V465-V469 WeakPolarHBondContact O-CG2 3.14Å; V465-V469 PolarHBondContact O-N 3.34Å; F466-V469 WeakPolarHBondContact O-CB 3.43Å; F466-V469 PolarHBondContact O-N 2.92Å; G467-V469 VanDerWaalsContact C-N 3.32Å; G467-V469 PolarHBondContact O-N 3.49Å; V469-Y471 VanDerWaalsContact C-N 3.32Å; V469-Y471 PolarHBondContact O-N 3.35Å; V469-R472 PolarHBondContact O-N 3.31Å; V469-R472 VanDerWaalsContact O-N 3.15Å; V469-I473 HydrophobicContact CG1-CD1 3.87Å; V469-I473 WeakPolarHBondContact O-CG1 3.38Å; V469-I473 PolarHBondContact O-N 3.41Å; V469-Y555 WeakPolarHBondContact CG1-OH 3.4Å; V469-Y555 HydrophobicContact CG2-CD1 4Å; V469-Y555 HydrophobicContact CG2-CD2 4.49Å; V469-Y555 HydrophobicContact CG2-CE1 3.37Å; V469-Y555 HydrophobicContact CG2-CE2 3.92Å; V469-Y555 WeakPolarHBondContact CG2-OH 3.44Å
470	V	74.3	Confident	72.7	Confident	46 Å²	46	44.8 Å²	44.8	28%	0.279	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-43	175.9	173.5	0	0	0	0	110.9	F466 G467 R472 I473 C474	F466-V470 HydrophobicContact CD1-CG2 4.16Å; F466-V470 HydrophobicContact CE1-CG2 3.82Å; F466-V470 HydrophobicContact CZ-CG2 4.11Å; F466-V470 WeakPolarHBondContact O-CG2 3.06Å; F466-V470 PolarHBondContact O-N 3.37Å; G467-V470 PolarHBondContact O-N 3.03Å; V470-R472 VanDerWaalsContact C-N 3.32Å; V470-R472 PolarHBondContact O-N 3.35Å; V470-I473 PolarHBondContact O-N 2.87Å; V470-C474 PolarHBondContact O-N 2.84Å; V470-C474 PolarHBondContact O-SG 2.85Å
471	Y	78.6	Confident	72.5	Confident	66 Å²	66	48.8 Å²	48.8	26%	0.259	27%	0.266	S	S	.	.	H	α-helix	trans	-55.5	-46.1	174.5	165.7	-90.6	0	0	0	112.2	G467 V468 V469 I473 C474 M475 L502	G467-Y471 PolarHBondContact O-N 3.36Å; V468-Y471 WeakPolarHBondContact O-CB 3.49Å; V468-Y471 PolarHBondContact O-N 3.38Å; V469-Y471 VanDerWaalsContact C-N 3.32Å; V469-Y471 PolarHBondContact O-N 3.35Å; Y471-I473 VanDerWaalsContact C-N 3.35Å; Y471-I473 PolarHBondContact O-N 3.11Å; Y471-C474 PolarHBondContact O-N 2.9Å; Y471-M475 HydrophobicContact CD1-CG 4.44Å; Y471-M475 HydrophobicContact CD2-CG 4.03Å; Y471-M475 HydrophobicContact CE1-CG 3.92Å; Y471-M475 HydrophobicContact CE2-CE 3.68Å; Y471-M475 HydrophobicContact CE2-CG 3.5Å; Y471-M475 HydrophobicContact CE2-SD 4.35Å; Y471-M475 HydrophobicContact CG-CG 4.48Å; Y471-M475 VanDerWaalsContact CZ-CG 3.43Å; Y471-M475 WeakPolarHBondContact O-CB 3.5Å; Y471-M475 WeakPolarHBondContact O-CG 3.31Å; Y471-M475 PolarHBondContact O-N 2.66Å; Y471-M475 WeakPolarHBondContact OH-CE 3.46Å; Y471-L502 HydrophobicContact CD1-CD1 3.94Å; Y471-L502 HydrophobicContact CD2-CD1 4.19Å; Y471-L502 HydrophobicContact CE1-CD1 3.33Å; Y471-L502 HydrophobicContact CE2-CD1 3.58Å; Y471-L502 HydrophobicContact CG-CD1 4.35Å; Y471-L502 VanDerWaalsContact OH-CD1 3.26Å; Y471-L502 WeakPolarHBondContact OH-CD1 3.34Å
472	R	73.1	Confident	72.6	Confident	10 Å²	10	51.4 Å²	51.4	4%	0.038	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-41.5	179.6	-72.7	-178.6	-176.7	-167.5	0.5	111.6	V468 V469 V470 M475 L476 V495 G499	V468-R472 WeakPolarHBondContact O-CG 3.35Å; V468-R472 PolarHBondContact O-N 2.75Å; V469-R472 PolarHBondContact O-N 3.31Å; V469-R472 VanDerWaalsContact O-N 3.15Å; V470-R472 VanDerWaalsContact C-N 3.32Å; V470-R472 PolarHBondContact O-N 3.35Å; R472-M475 PolarHBondContact O-N 3.38Å; R472-L476 VanDerWaalsContact O-CB 3.25Å; R472-L476 WeakPolarHBondContact O-CB 3.3Å; R472-L476 PolarHBondContact O-N 3.44Å; R472-V495 HydrophobicContact CB-CG1 4.47Å; R472-G499 PolarHBondContact NH2-O 3.25Å
473	I	71.4	Confident	72.3	Confident	15 Å²	15	51 Å²	51	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-47.9	177.5	-63.7	164.5	0	0	0	110.2	V469 V470 Y471 M475 L476 S477 Y577	V469-I473 HydrophobicContact CG1-CD1 3.87Å; V469-I473 WeakPolarHBondContact O-CG1 3.38Å; V469-I473 PolarHBondContact O-N 3.41Å; V470-I473 PolarHBondContact O-N 2.87Å; Y471-I473 VanDerWaalsContact C-N 3.35Å; Y471-I473 PolarHBondContact O-N 3.11Å; I473-M475 PolarHBondContact O-N 2.88Å; I473-L476 PolarHBondContact O-N 3.41Å; I473-S477 PolarHBondContact O-N 3.01Å; I473-S477 VanDerWaalsContact O-N 3.1Å; I473-S477 PolarHBondContact O-OG 2.93Å; I473-Y577 HydrophobicContact CG2-CD1 4.08Å; I473-Y577 HydrophobicContact CG2-CG 4.38Å
474	C	73.4	Confident	72.2	Confident	41 Å²	41	52.8 Å²	52.8	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-45.7	177.5	-68.4	0	0	0	0	112.1	V470 Y471 S477 V478	V470-C474 PolarHBondContact O-N 2.84Å; V470-C474 PolarHBondContact O-SG 2.85Å; Y471-C474 PolarHBondContact O-N 2.9Å; C474-S477 PolarHBondContact O-N 3.47Å; C474-V478 WeakPolarHBondContact O-CB 3.49Å; C474-V478 VanDerWaalsContact O-CG2 3.29Å; C474-V478 WeakPolarHBondContact O-CG2 3.29Å; C474-V478 PolarHBondContact O-N 3.41Å
475	M	73.5	Confident	72	Confident	56 Å²	56	56.3 Å²	56.3	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-68.1	-36.7	179.9	-77.3	-58	-143.8	0	0	112.8	Y471 R472 I473 S477 V478 W479 V495	Y471-M475 HydrophobicContact CD1-CG 4.44Å; Y471-M475 HydrophobicContact CD2-CG 4.03Å; Y471-M475 HydrophobicContact CE1-CG 3.92Å; Y471-M475 HydrophobicContact CE2-CE 3.68Å; Y471-M475 HydrophobicContact CE2-CG 3.5Å; Y471-M475 HydrophobicContact CE2-SD 4.35Å; Y471-M475 HydrophobicContact CG-CG 4.48Å; Y471-M475 VanDerWaalsContact CZ-CG 3.43Å; Y471-M475 WeakPolarHBondContact O-CB 3.5Å; Y471-M475 WeakPolarHBondContact O-CG 3.31Å; Y471-M475 PolarHBondContact O-N 2.66Å; Y471-M475 WeakPolarHBondContact OH-CE 3.46Å; R472-M475 PolarHBondContact O-N 3.38Å; I473-M475 PolarHBondContact O-N 2.88Å; M475-S477 VanDerWaalsContact C-N 3.34Å; M475-V478 PolarHBondContact O-N 3.43Å; M475-W479 VanDerWaalsContact O-CB 3.24Å; M475-W479 WeakPolarHBondContact O-CB 3.27Å; M475-W479 VanDerWaalsContact O-CD1 3.29Å; M475-W479 PolarHBondContact O-N 3.14Å; M475-V495 HydrophobicContact CB-CG1 4.29Å; M475-V495 HydrophobicContact CB-CG2 4.31Å
476	L	72.2	Confident	71.7	Confident	52 Å²	52	63.7 Å²	63.7	27%	0.272	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-46.8	174.3	-176.3	64	0	0	0	110.8	R472 I473 S480 V491 V495	R472-L476 VanDerWaalsContact O-CB 3.25Å; R472-L476 WeakPolarHBondContact O-CB 3.3Å; R472-L476 PolarHBondContact O-N 3.44Å; I473-L476 PolarHBondContact O-N 3.41Å; L476-S480 VanDerWaalsContact O-CB 3.23Å; L476-S480 WeakPolarHBondContact O-CB 3.33Å; L476-S480 PolarHBondContact O-N 3.06Å; L476-S480 PolarHBondContact O-OG 2.94Å; L476-V491 HydrophobicContact CD1-CG1 3.84Å; L476-V495 HydrophobicContact CB-CG1 4.34Å
477	S	69.5	Low	71.3	Confident	45 Å²	45	60.3 Å²	60.3	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-51.1	176.8	-60.1	0	0	0	0	111.6	I473 C474 M475 W479 S480 M481	I473-S477 PolarHBondContact O-N 3.01Å; I473-S477 VanDerWaalsContact O-N 3.1Å; I473-S477 PolarHBondContact O-OG 2.93Å; C474-S477 PolarHBondContact O-N 3.47Å; M475-S477 VanDerWaalsContact C-N 3.34Å; S477-W479 PolarHBondContact O-N 3.28Å; S477-S480 PolarHBondContact O-N 2.88Å; S477-S480 PolarHBondContact O-OG 3.4Å; S477-M481 WeakPolarHBondContact O-CG 3.35Å; S477-M481 PolarHBondContact O-N 2.96Å
478	V	72.8	Confident	70.9	Confident	84 Å²	84	63.1 Å²	63.1	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-45.8	-178.8	171.8	0	0	0	0	112	C474 M475 S480 M481	C474-V478 WeakPolarHBondContact O-CB 3.49Å; C474-V478 VanDerWaalsContact O-CG2 3.29Å; C474-V478 WeakPolarHBondContact O-CG2 3.29Å; C474-V478 PolarHBondContact O-N 3.41Å; M475-V478 PolarHBondContact O-N 3.43Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 2.71Å; V478-M481 WeakPolarHBondContact O-CB 3.32Å; V478-M481 PolarHBondContact O-N 2.9Å; V478-M481 VanDerWaalsContact O-N 3.16Å
479	W	72.1	Confident	70.5	Confident	89 Å²	89	66.7 Å²	66.7	34%	0.337	37%	0.369	S	S	.	.	H	α-helix	trans	-70.2	-29.7	-178.9	-84.8	75.2	0	0	0	112.9	M475 S477 M481 N482 V491 T494 V495	M475-W479 VanDerWaalsContact O-CB 3.24Å; M475-W479 WeakPolarHBondContact O-CB 3.27Å; M475-W479 VanDerWaalsContact O-CD1 3.29Å; M475-W479 PolarHBondContact O-N 3.14Å; S477-W479 PolarHBondContact O-N 3.28Å; W479-M481 PolarHBondContact O-N 2.97Å; W479-N482 WeakPolarHBondContact O-CB 3.45Å; W479-N482 PolarHBondContact O-N 3.47Å; W479-N482 PolarHBondContact O-ND2 2.81Å; W479-V491 HydrophobicContact CB-CB 4.43Å; W479-V491 HydrophobicContact CB-CG1 3.61Å; W479-V491 HydrophobicContact CB-CG2 4.07Å; W479-T494 HydrophobicContact CH2-CG2 4.2Å; W479-T494 HydrophobicContact CZ2-CG2 4.43Å; W479-T494 HydrophobicContact CZ3-CG2 4.29Å; W479-V495 HydrophobicContact CB-CG2 4.4Å; W479-V495 HydrophobicContact CG-CG2 4.45Å
480	S	67.2	Low	70.3	Confident	12 Å²	12	68.8 Å²	68.8	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-66.8	-23.9	173.2	74.1	0	0	0	0	113	V339 L476 S477 V478 N482	V339-S480 WeakPolarHBondContact CG1-O 3.48Å; L476-S480 VanDerWaalsContact O-CB 3.23Å; L476-S480 WeakPolarHBondContact O-CB 3.33Å; L476-S480 PolarHBondContact O-N 3.06Å; L476-S480 PolarHBondContact O-OG 2.94Å; S477-S480 PolarHBondContact O-N 2.88Å; S477-S480 PolarHBondContact O-OG 3.4Å; V478-S480 VanDerWaalsContact C-N 3.31Å; V478-S480 PolarHBondContact O-N 2.71Å; S480-N482 VanDerWaalsContact C-N 3.34Å
481	M	70.1	Confident	70.2	Confident	134 Å²	134	67 Å²	67	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.2	176.1	-64.1	173.5	79.4	0	0	113.7	V339 S477 V478 W479	V339-M481 HydrophobicContact CG1-CG 4.3Å; V339-M481 HydrophobicContact CG2-CG 4.22Å; S477-M481 WeakPolarHBondContact O-CG 3.35Å; S477-M481 PolarHBondContact O-N 2.96Å; V478-M481 WeakPolarHBondContact O-CB 3.32Å; V478-M481 PolarHBondContact O-N 2.9Å; V478-M481 VanDerWaalsContact O-N 3.16Å; W479-M481 PolarHBondContact O-N 2.97Å
482	N	71.7	Confident	69.7	Low	56 Å²	56	68.6 Å²	68.6	30%	0.299	38%	0.379	S	S	.	.			trans	-60.6	134.1	178.6	-83.3	-51.9	0	0	0	110.8	W479 S480 D484 A487 K488	W479-N482 WeakPolarHBondContact O-CB 3.45Å; W479-N482 PolarHBondContact O-N 3.47Å; W479-N482 PolarHBondContact O-ND2 2.81Å; S480-N482 VanDerWaalsContact C-N 3.34Å; N482-D484 VanDerWaalsContact C-N 3.27Å; N482-D484 PolarHBondContact O-N 3.49Å; N482-A487 HydrophobicContact CB-CB 4.35Å; N482-K488 WeakPolarHBondContact O-CE 3.38Å; N482-K488 WeakPolarHBondContact O-CG 3.27Å
483	P	67.8	Low	69.7	Low	108 Å²	108	73.7 Å²	73.7	70%	0.701	41%	0.405	S	S	*	.	S	Bend	trans	-70.4	-21.5	-175.3	26.5	-33	0	0	0	113.5
484	D	70.9	Confident	70	Confident	102 Å²	102	75 Å²	75	55%	0.545	41%	0.413	S	S	.	.			trans	-73.9	126.1	-175.5	-63.3	-39.4	0	0	0	112.7	N482 E486 A487 K488	N482-D484 VanDerWaalsContact C-N 3.27Å; N482-D484 PolarHBondContact O-N 3.49Å; D484-E486 VanDerWaalsContact C-N 3.34Å; D484-E486 PolarHBondContact O-N 3.45Å; D484-A487 HydrophobicContact CB-CB 3.91Å; D484-A487 PolarHBondContact O-N 3.34Å; D484-K488 WeakPolarHBondContact O-CG 3.43Å; D484-K488 PolarHBondContact O-N 3.08Å
485	P	67.7	Low	70.2	Confident	102 Å²	102	73.3 Å²	73.3	66%	0.662	40%	0.402	S	S	*	.	H	α-helix	trans	-67.1	-31.4	-176.7	25.9	-33.3	0	0	0	113.3	K488 A489	P485-K488 PolarHBondContact O-N 2.84Å; P485-A489 PolarHBondContact O-N 3.33Å
486	E	66.8	Low	70.3	Confident	168 Å²	168	71.5 Å²	71.5	79%	0.785	39%	0.394	S	S	*	.	H	α-helix	trans	-70.6	-37.5	175	-65.5	-171.8	171.2	0	0	112.1	D484 A489 S490	D484-E486 VanDerWaalsContact C-N 3.34Å; D484-E486 PolarHBondContact O-N 3.45Å; E486-A489 PolarHBondContact O-N 3.16Å; E486-S490 PolarHBondContact O-N 2.82Å; E486-S490 PolarHBondContact O-OG 3.05Å
487	A	65.1	Low	70.6	Confident	19 Å²	19	71.7 Å²	71.7	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-64.8	-43.3	173	0	0	0	0	0	110.3	N482 D484 A489 S490 V491	N482-A487 HydrophobicContact CB-CB 4.35Å; D484-A487 HydrophobicContact CB-CB 3.91Å; D484-A487 PolarHBondContact O-N 3.34Å; A487-A489 PolarHBondContact O-N 2.94Å; A487-S490 PolarHBondContact O-N 3.22Å; A487-S490 PolarHBondContact O-OG 3.48Å; A487-V491 WeakPolarHBondContact O-CG2 3.48Å; A487-V491 PolarHBondContact O-N 3.48Å; A487-V491 VanDerWaalsContact O-N 3.1Å
488	K	65.8	Low	71.2	Confident	97 Å²	97	71.9 Å²	71.9	42%	0.422	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-41	175.6	-73.9	-172.9	-177	-170	0	113.5	N482 D484 P485 S490 V491	N482-K488 WeakPolarHBondContact O-CE 3.38Å; N482-K488 WeakPolarHBondContact O-CG 3.27Å; D484-K488 WeakPolarHBondContact O-CG 3.43Å; D484-K488 PolarHBondContact O-N 3.08Å; P485-K488 PolarHBondContact O-N 2.84Å; K488-S490 VanDerWaalsContact C-N 3.32Å; K488-S490 PolarHBondContact O-N 3.46Å; K488-V491 WeakPolarHBondContact O-CG2 3.45Å
489	A	65	Low	71.6	Confident	92 Å²	92	67.9 Å²	67.9	76%	0.76	37%	0.373	S	S	*	.	H	α-helix	trans	-69.5	-29	-180	0	0	0	0	0	113.2	P485 E486 A487	P485-A489 PolarHBondContact O-N 3.33Å; E486-A489 PolarHBondContact O-N 3.16Å; A487-A489 PolarHBondContact O-N 2.94Å
490	S	67.5	Low	72	Confident	51 Å²	51	64 Å²	64	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-99.3	-5.1	-176.4	57.4	0	0	0	0	114.6	E486 A487 K488 R492 M493 T494	E486-S490 PolarHBondContact O-N 2.82Å; E486-S490 PolarHBondContact O-OG 3.05Å; A487-S490 PolarHBondContact O-N 3.22Å; A487-S490 PolarHBondContact O-OG 3.48Å; K488-S490 VanDerWaalsContact C-N 3.32Å; K488-S490 PolarHBondContact O-N 3.46Å; S490-R492 VanDerWaalsContact C-N 3.33Å; S490-R492 PolarHBondContact O-N 2.85Å; S490-M493 PolarHBondContact O-N 3.45Å; S490-M493 VanDerWaalsContact O-N 3.11Å; S490-T494 PolarHBondContact O-N 3.35Å; S490-T494 PolarHBondContact O-OG1 3.01Å
491	V	72	Confident	72.7	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-48.6	-49.8	-176	178.9	0	0	0	0	112.8	L476 W479 A487 K488 M493 T494 V495	L476-V491 HydrophobicContact CD1-CG1 3.84Å; W479-V491 HydrophobicContact CB-CB 4.43Å; W479-V491 HydrophobicContact CB-CG1 3.61Å; W479-V491 HydrophobicContact CB-CG2 4.07Å; A487-V491 WeakPolarHBondContact O-CG2 3.48Å; A487-V491 PolarHBondContact O-N 3.48Å; A487-V491 VanDerWaalsContact O-N 3.1Å; K488-V491 WeakPolarHBondContact O-CG2 3.45Å; V491-M493 VanDerWaalsContact C-N 3.33Å; V491-M493 PolarHBondContact O-N 3.09Å; V491-T494 PolarHBondContact O-N 3.42Å; V491-V495 HydrophobicContact CG1-CG2 3.84Å; V491-V495 WeakPolarHBondContact O-CB 3.47Å; V491-V495 VanDerWaalsContact O-CG2 3.3Å; V491-V495 WeakPolarHBondContact O-CG2 3.38Å; V491-V495 PolarHBondContact O-N 3.46Å
492	R	69	Low	73.3	Confident	99 Å²	99	64.3 Å²	64.3	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-44.1	-175.4	-170.8	179.7	74.2	-154.8	-0.4	111.7	S490 T496	S490-R492 VanDerWaalsContact C-N 3.33Å; S490-R492 PolarHBondContact O-N 2.85Å; R492-T496 VanDerWaalsContact O-CB 3.29Å; R492-T496 WeakPolarHBondContact O-CB 3.39Å; R492-T496 PolarHBondContact O-N 2.87Å; R492-T496 VanDerWaalsContact O-N 3.13Å; R492-T496 PolarHBondContact O-OG1 3.33Å
493	M	72.3	Confident	73.8	Confident	117 Å²	117	62 Å²	62	58%	0.576	35%	0.348	S	S	*	.	H	α-helix	trans	-70.4	-42.7	-179.3	-168.1	67.1	-147.6	0	0	111	S490 V491 T497	S490-M493 PolarHBondContact O-N 3.45Å; S490-M493 VanDerWaalsContact O-N 3.11Å; V491-M493 VanDerWaalsContact C-N 3.33Å; V491-M493 PolarHBondContact O-N 3.09Å; M493-T497 WeakPolarHBondContact CE-OG1 3.43Å; M493-T497 WeakPolarHBondContact O-CB 3.22Å; M493-T497 PolarHBondContact O-N 3.37Å; M493-T497 PolarHBondContact O-OG1 3.04Å
494	T	77	Confident	74.3	Confident	43 Å²	43	57.9 Å²	57.9	26%	0.264	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-51.2	179.1	-57.6	0	0	0	0	111.4	W479 S490 V491 T496 T497 T498	W479-T494 HydrophobicContact CH2-CG2 4.2Å; W479-T494 HydrophobicContact CZ2-CG2 4.43Å; W479-T494 HydrophobicContact CZ3-CG2 4.29Å; S490-T494 PolarHBondContact O-N 3.35Å; S490-T494 PolarHBondContact O-OG1 3.01Å; V491-T494 PolarHBondContact O-N 3.42Å; T494-T496 VanDerWaalsContact C-N 3.34Å; T494-T496 PolarHBondContact O-N 3.43Å; T494-T497 PolarHBondContact O-N 3.13Å; T494-T498 HydrophobicContact CG2-CG2 4.36Å; T494-T498 WeakPolarHBondContact O-CG2 3.38Å; T494-T498 PolarHBondContact O-N 2.74Å; T494-T498 PolarHBondContact O-OG1 2.72Å
495	V	77.9	Confident	74.9	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-38.8	-179.9	174.2	0	0	0	0	111.8	R472 M475 L476 W479 V491 T498 G499	R472-V495 HydrophobicContact CB-CG1 4.47Å; M475-V495 HydrophobicContact CB-CG1 4.29Å; M475-V495 HydrophobicContact CB-CG2 4.31Å; L476-V495 HydrophobicContact CB-CG1 4.34Å; W479-V495 HydrophobicContact CB-CG2 4.4Å; W479-V495 HydrophobicContact CG-CG2 4.45Å; V491-V495 HydrophobicContact CG1-CG2 3.84Å; V491-V495 WeakPolarHBondContact O-CB 3.47Å; V491-V495 VanDerWaalsContact O-CG2 3.3Å; V491-V495 WeakPolarHBondContact O-CG2 3.38Å; V491-V495 PolarHBondContact O-N 3.46Å; V495-T498 WeakPolarHBondContact CA-OG1 3.32Å; V495-T498 PolarHBondContact O-OG1 3.42Å; V495-G499 WeakPolarHBondContact O-CA 3.28Å; V495-G499 PolarHBondContact O-N 2.91Å
496	T	75.7	Confident	75.6	Confident	17 Å²	17	55.2 Å²	55.2	10%	0.104	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-44.8	175.7	-55.7	0	0	0	0	110.8	R492 T494 G499 I500 E590	R492-T496 VanDerWaalsContact O-CB 3.29Å; R492-T496 WeakPolarHBondContact O-CB 3.39Å; R492-T496 PolarHBondContact O-N 2.87Å; R492-T496 VanDerWaalsContact O-N 3.13Å; R492-T496 PolarHBondContact O-OG1 3.33Å; T494-T496 VanDerWaalsContact C-N 3.34Å; T494-T496 PolarHBondContact O-N 3.43Å; T496-G499 PolarHBondContact O-N 2.99Å; T496-I500 HydrophobicContact CG2-CD1 3.97Å; T496-I500 WeakPolarHBondContact O-CG1 3.29Å; T496-I500 PolarHBondContact O-N 2.74Å; T496-E590 HydrophobicContact CG2-CG 4.35Å
497	T	78.3	Confident	76.3	Confident	57 Å²	57	47.5 Å²	47.5	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-48	-178.7	-53.4	0	0	0	0	111.8	M493 T494 G499 I500 I501	M493-T497 WeakPolarHBondContact CE-OG1 3.43Å; M493-T497 WeakPolarHBondContact O-CB 3.22Å; M493-T497 PolarHBondContact O-N 3.37Å; M493-T497 PolarHBondContact O-OG1 3.04Å; T494-T497 PolarHBondContact O-N 3.13Å; T497-G499 VanDerWaalsContact C-N 3.31Å; T497-G499 PolarHBondContact O-N 3.02Å; T497-I500 PolarHBondContact O-N 3.12Å; T497-I501 HydrophobicContact CG2-CD1 4.18Å; T497-I501 WeakPolarHBondContact O-CG1 3.32Å; T497-I501 PolarHBondContact O-N 2.78Å
498	T	83.4	Confident	77.1	Confident	49 Å²	49	48.4 Å²	48.4	30%	0.301	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-38.5	177	56.5	0	0	0	0	111.4	T494 V495 I500 I501 L502	T494-T498 HydrophobicContact CG2-CG2 4.36Å; T494-T498 WeakPolarHBondContact O-CG2 3.38Å; T494-T498 PolarHBondContact O-N 2.74Å; T494-T498 PolarHBondContact O-OG1 2.72Å; V495-T498 WeakPolarHBondContact CA-OG1 3.32Å; V495-T498 PolarHBondContact O-OG1 3.42Å; T498-I500 VanDerWaalsContact C-N 3.33Å; T498-I500 PolarHBondContact O-N 3.18Å; T498-I501 PolarHBondContact O-N 2.8Å; T498-L502 WeakPolarHBondContact O-CB 3.4Å; T498-L502 WeakPolarHBondContact O-CG 3.34Å; T498-L502 PolarHBondContact O-N 2.74Å
499	G	80.6	Confident	77.9	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-30.4	174.4	0	0	0	0	0	113.8	R472 V495 T496 T497 N503	R472-G499 PolarHBondContact NH2-O 3.25Å; V495-G499 WeakPolarHBondContact O-CA 3.28Å; V495-G499 PolarHBondContact O-N 2.91Å; T496-G499 PolarHBondContact O-N 2.99Å; T497-G499 VanDerWaalsContact C-N 3.31Å; T497-G499 PolarHBondContact O-N 3.02Å; G499-N503 VanDerWaalsContact O-CB 3.28Å; G499-N503 WeakPolarHBondContact O-CB 3.38Å; G499-N503 PolarHBondContact O-N 3.4Å
500	I	79.4	Confident	78.7	Confident	8 Å²	8	45 Å²	45	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-74.1	-43.6	173.7	-71.1	165.2	0	0	0	110.4	T496 T497 T498 N503 M504 I593 Q594 M597	T496-I500 HydrophobicContact CG2-CD1 3.97Å; T496-I500 WeakPolarHBondContact O-CG1 3.29Å; T496-I500 PolarHBondContact O-N 2.74Å; T497-I500 PolarHBondContact O-N 3.12Å; T498-I500 VanDerWaalsContact C-N 3.33Å; T498-I500 PolarHBondContact O-N 3.18Å; I500-N503 PolarHBondContact O-N 3.49Å; I500-M504 WeakPolarHBondContact O-CB 3.32Å; I500-M504 PolarHBondContact O-N 2.88Å; I500-I593 HydrophobicContact CD1-CB 4.4Å; I500-I593 HydrophobicContact CD1-CG2 3.82Å; I500-Q594 HydrophobicContact CG1-CB 4.49Å; I500-M597 HydrophobicContact CG2-CB 3.95Å; I500-M597 HydrophobicContact CG2-CG 4.06Å
501	I	82.6	Confident	79.4	Confident	89 Å²	89	42.8 Å²	42.8	46%	0.456	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-46	178.8	-67.1	167.5	0	0	0	111.2	T497 T498 N503 M504 L505	T497-I501 HydrophobicContact CG2-CD1 4.18Å; T497-I501 WeakPolarHBondContact O-CG1 3.32Å; T497-I501 PolarHBondContact O-N 2.78Å; T498-I501 PolarHBondContact O-N 2.8Å; I501-N503 VanDerWaalsContact C-N 3.35Å; I501-N503 PolarHBondContact O-N 3.16Å; I501-M504 WeakPolarHBondContact O-CB 3.14Å; I501-M504 PolarHBondContact O-N 2.91Å; I501-L505 PolarHBondContact O-N 3.34Å
502	L	83.6	Confident	79.9	Confident	63 Å²	63	47.9 Å²	47.9	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177	-76.7	171.6	0	0	0	112.1	Y471 T498 M504 L505 V506	Y471-L502 HydrophobicContact CD1-CD1 3.94Å; Y471-L502 HydrophobicContact CD2-CD1 4.19Å; Y471-L502 HydrophobicContact CE1-CD1 3.33Å; Y471-L502 HydrophobicContact CE2-CD1 3.58Å; Y471-L502 HydrophobicContact CG-CD1 4.35Å; Y471-L502 VanDerWaalsContact OH-CD1 3.26Å; Y471-L502 WeakPolarHBondContact OH-CD1 3.34Å; T498-L502 WeakPolarHBondContact O-CB 3.4Å; T498-L502 WeakPolarHBondContact O-CG 3.34Å; T498-L502 PolarHBondContact O-N 2.74Å; L502-M504 VanDerWaalsContact C-N 3.29Å; L502-M504 PolarHBondContact O-N 2.81Å; L502-L505 PolarHBondContact O-N 3.47Å; L502-V506 WeakPolarHBondContact O-CG2 3.42Å; L502-V506 PolarHBondContact O-N 3.34Å
503	N	80.4	Confident	80.7	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-42.5	174.2	-175.8	67.3	0	0	0	111.5	V468 G499 I500 I501 V506 V507 P552	V468-N503 HydrophobicContact CG1-CB 4.12Å; G499-N503 VanDerWaalsContact O-CB 3.28Å; G499-N503 WeakPolarHBondContact O-CB 3.38Å; G499-N503 PolarHBondContact O-N 3.4Å; I500-N503 PolarHBondContact O-N 3.49Å; I501-N503 VanDerWaalsContact C-N 3.35Å; I501-N503 PolarHBondContact O-N 3.16Å; N503-V506 PolarHBondContact O-N 2.73Å; N503-V507 WeakPolarHBondContact O-CB 3.45Å; N503-V507 VanDerWaalsContact O-CG2 3.26Å; N503-V507 WeakPolarHBondContact O-CG2 3.12Å; N503-V507 PolarHBondContact O-N 2.8Å; N503-P552 VanDerWaalsContact ND2-CB 3.29Å; N503-P552 WeakPolarHBondContact ND2-CB 3.41Å; N503-P552 WeakPolarHBondContact OD1-CB 3.44Å; N503-P552 WeakPolarHBondContact OD1-CG 3.23Å
504	M	80.1	Confident	81.3	Confident	22 Å²	22	41 Å²	41	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-45.3	175.9	-176.4	-109.9	-179.5	0	0	111.5	I500 I501 L502 V507 L508 I605	I500-M504 WeakPolarHBondContact O-CB 3.32Å; I500-M504 PolarHBondContact O-N 2.88Å; I501-M504 WeakPolarHBondContact O-CB 3.14Å; I501-M504 PolarHBondContact O-N 2.91Å; L502-M504 VanDerWaalsContact C-N 3.29Å; L502-M504 PolarHBondContact O-N 2.81Å; M504-V507 PolarHBondContact O-N 2.85Å; M504-L508 HydrophobicContact CE-CD1 3.63Å; M504-L508 HydrophobicContact CE-CG 4.34Å; M504-L508 WeakPolarHBondContact O-CG 3.48Å; M504-L508 PolarHBondContact O-N 3.47Å; M504-L508 HydrophobicContact SD-CD1 3.97Å; M504-I605 HydrophobicContact CE-CD1 3.86Å
505	L	81.7	Confident	81.7	Confident	101 Å²	101	39.6 Å²	39.6	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-42.7	176.9	-175.3	129.8	0	0	0	112.8	I501 L502 L508 V509	I501-L505 PolarHBondContact O-N 3.34Å; L502-L505 PolarHBondContact O-N 3.47Å; L505-L508 PolarHBondContact O-N 2.78Å; L505-V509 WeakPolarHBondContact O-CG2 3.4Å; L505-V509 PolarHBondContact O-N 3.09Å; L505-V509 VanDerWaalsContact O-N 3.1Å
506	V	82.8	Confident	82.1	Confident	47 Å²	47	42.4 Å²	42.4	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-44.4	176.5	169.8	0	0	0	0	111	A464 L502 N503 L508 V509 L510	A464-V506 HydrophobicContact CB-CG1 4.46Å; L502-V506 WeakPolarHBondContact O-CG2 3.42Å; L502-V506 PolarHBondContact O-N 3.34Å; N503-V506 PolarHBondContact O-N 2.73Å; V506-L508 PolarHBondContact O-N 3.02Å; V506-V509 PolarHBondContact O-N 2.64Å; V506-L510 HydrophobicContact CG1-CD1 3.7Å; V506-L510 HydrophobicContact CG1-CG 4.25Å; V506-L510 WeakPolarHBondContact O-CB 3.37Å; V506-L510 WeakPolarHBondContact O-CG 3.11Å; V506-L510 PolarHBondContact O-N 3.43Å
507	V	82	Confident	82.6	Confident	7 Å²	7	44 Å²	44	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-47.4	177.1	169	0	0	0	0	110.5	N503 M504 V509 L510 E511 N548 P552	N503-V507 WeakPolarHBondContact O-CB 3.45Å; N503-V507 VanDerWaalsContact O-CG2 3.26Å; N503-V507 WeakPolarHBondContact O-CG2 3.12Å; N503-V507 PolarHBondContact O-N 2.8Å; M504-V507 PolarHBondContact O-N 2.85Å; V507-V509 PolarHBondContact O-N 2.86Å; V507-L510 PolarHBondContact O-N 3.36Å; V507-E511 HydrophobicContact CG1-CG 4.37Å; V507-E511 WeakPolarHBondContact O-CG 2.82Å; V507-E511 PolarHBondContact O-N 3.21Å; V507-N548 PolarHBondContact O-ND2 3.01Å; V507-N548 VanDerWaalsContact O-ND2 3.09Å; V507-P552 HydrophobicContact CG2-CG 4Å
508	L	80.8	Confident	82.9	Confident	38 Å²	38	41.3 Å²	41.3	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-46.6	178.9	-70.5	177.7	0	0	0	112.8	M504 L505 V506 Q606	M504-L508 HydrophobicContact CE-CD1 3.63Å; M504-L508 HydrophobicContact CE-CG 4.34Å; M504-L508 WeakPolarHBondContact O-CG 3.48Å; M504-L508 PolarHBondContact O-N 3.47Å; M504-L508 HydrophobicContact SD-CD1 3.97Å; L505-L508 PolarHBondContact O-N 2.78Å; V506-L508 PolarHBondContact O-N 3.02Å; L508-Q606 VanDerWaalsContact CD2-OE1 3.26Å
509	V	83.1	Confident	83	Confident	87 Å²	87	41.6 Å²	41.6	53%	0.527	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-43.6	-179.4	173.3	0	0	0	0	111.2	L505 V506 V507 E511 E512 V513	L505-V509 WeakPolarHBondContact O-CG2 3.4Å; L505-V509 PolarHBondContact O-N 3.09Å; L505-V509 VanDerWaalsContact O-N 3.1Å; V506-V509 PolarHBondContact O-N 2.64Å; V507-V509 PolarHBondContact O-N 2.86Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.27Å; V509-E512 PolarHBondContact O-N 3.48Å; V509-V513 PolarHBondContact O-N 2.98Å
510	L	82.4	Confident	83.2	Confident	30 Å²	30	49 Å²	49	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-68.5	-31.4	-179.1	-73.8	179.2	0	0	0	112.7	A464 V506 V507 E512 V513 Y514	A464-L510 HydrophobicContact CB-CD1 3.79Å; V506-L510 HydrophobicContact CG1-CD1 3.7Å; V506-L510 HydrophobicContact CG1-CG 4.25Å; V506-L510 WeakPolarHBondContact O-CB 3.37Å; V506-L510 WeakPolarHBondContact O-CG 3.11Å; V506-L510 PolarHBondContact O-N 3.43Å; V507-L510 PolarHBondContact O-N 3.36Å; L510-E512 VanDerWaalsContact C-N 3.31Å; L510-E512 PolarHBondContact O-N 2.94Å; L510-V513 PolarHBondContact O-N 2.84Å; L510-Y514 HydrophobicContact CB-CD2 4.17Å; L510-Y514 HydrophobicContact CB-CE2 3.78Å; L510-Y514 HydrophobicContact CD1-CE2 4.49Å; L510-Y514 WeakPolarHBondContact O-CB 3.45Å; L510-Y514 WeakPolarHBondContact O-CD2 3.34Å; L510-Y514 PolarHBondContact O-N 3.46Å
511	E	82.1	Confident	83.4	Confident	4 Å²	4	49 Å²	49	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-39.8	176.3	-80.8	-178.7	157.4	0	0	112.8	V507 V509 G515 K545 K602	V507-E511 HydrophobicContact CG1-CG 4.37Å; V507-E511 WeakPolarHBondContact O-CG 2.82Å; V507-E511 PolarHBondContact O-N 3.21Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.27Å; E511-G515 PolarHBondContact O-N 3.34Å; E511-K545 HydrophobicContact CB-CD 4.49Å; E511-K602 IonicContact OE1-NZ 2.65Å; E511-K602 PolarHBondContact OE1-NZ 3Å; E511-K602 IonicContact OE2-NZ 2.89Å; E511-K602 PolarHBondContact OE2-NZ 3.48Å
512	E	82.9	Confident	83.4	Confident	115 Å²	115	44.8 Å²	44.8	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-68.9	-44.3	175.9	-66.5	-55.8	145.7	0	0	111.7	V509 L510 Y514 G515 A516	V509-E512 PolarHBondContact O-N 3.48Å; L510-E512 VanDerWaalsContact C-N 3.31Å; L510-E512 PolarHBondContact O-N 2.94Å; E512-Y514 VanDerWaalsContact C-N 3.32Å; E512-Y514 PolarHBondContact O-N 3.15Å; E512-G515 PolarHBondContact O-N 3.12Å; E512-G515 VanDerWaalsContact O-N 3.14Å; E512-A516 PolarHBondContact O-N 2.79Å; E512-A516 VanDerWaalsContact O-N 3.08Å
513	V	85.6	Confident	83.3	Confident	68 Å²	68	45.9 Å²	45.9	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-42.5	176.2	175.4	0	0	0	0	110.9	V509 L510 G515 A516 I517	V509-V513 PolarHBondContact O-N 2.98Å; L510-V513 PolarHBondContact O-N 2.84Å; V513-G515 VanDerWaalsContact C-N 3.34Å; V513-G515 PolarHBondContact O-N 3.4Å; V513-A516 PolarHBondContact O-N 3.29Å; V513-I517 HydrophobicContact CG1-CD1 3.76Å; V513-I517 HydrophobicContact CG1-CG1 4.41Å; V513-I517 VanDerWaalsContact O-CG1 3.28Å; V513-I517 WeakPolarHBondContact O-CG1 3.32Å; V513-I517 PolarHBondContact O-N 3.31Å
514	Y	85.1	Confident	83.2	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-32.6	176.5	-70.9	-46.4	0	0	0	113.1	T457 T461 L510 E512 I517 A518 L544 N548	T457-Y514 HydrophobicContact CG2-CE1 4.28Å; T461-Y514 HydrophobicContact CG2-CE1 4.35Å; T461-Y514 HydrophobicContact CG2-CE2 3.61Å; T461-Y514 VanDerWaalsContact CG2-CZ 3.41Å; T461-Y514 WeakPolarHBondContact CG2-OH 3.35Å; T461-Y514 PolarHBondContact N-OH 3.42Å; L510-Y514 HydrophobicContact CB-CD2 4.17Å; L510-Y514 HydrophobicContact CB-CE2 3.78Å; L510-Y514 HydrophobicContact CD1-CE2 4.49Å; L510-Y514 WeakPolarHBondContact O-CB 3.45Å; L510-Y514 WeakPolarHBondContact O-CD2 3.34Å; L510-Y514 PolarHBondContact O-N 3.46Å; E512-Y514 VanDerWaalsContact C-N 3.32Å; E512-Y514 PolarHBondContact O-N 3.15Å; Y514-I517 HydrophobicContact CD1-CD1 4.24Å; Y514-I517 PolarHBondContact O-N 3.1Å; Y514-A518 WeakPolarHBondContact O-CB 3.43Å; Y514-A518 PolarHBondContact O-N 2.98Å; Y514-L544 HydrophobicContact CD1-CB 4.39Å; Y514-L544 HydrophobicContact CG-CB 4.19Å; Y514-N548 HydrophobicContact CD2-CB 3.89Å; Y514-N548 HydrophobicContact CE2-CB 3.73Å
515	G	84.3	Confident	83	Confident	14 Å²	14	49.8 Å²	49.8	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-49.6	170.7	0	0	0	0	0	111.7	E511 E512 V513 I517 A518 V519	E511-G515 PolarHBondContact O-N 3.34Å; E512-G515 PolarHBondContact O-N 3.12Å; E512-G515 VanDerWaalsContact O-N 3.14Å; V513-G515 VanDerWaalsContact C-N 3.34Å; V513-G515 PolarHBondContact O-N 3.4Å; G515-I517 PolarHBondContact O-N 3.03Å; G515-A518 PolarHBondContact O-N 3.34Å; G515-V519 PolarHBondContact O-N 2.99Å
516	A	86.4	Confident	82.7	Confident	65 Å²	65	48.2 Å²	48.2	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-42.7	177.6	0	0	0	0	0	112.5	E512 V513 A518 V519 W520	E512-A516 PolarHBondContact O-N 2.79Å; E512-A516 VanDerWaalsContact O-N 3.08Å; V513-A516 PolarHBondContact O-N 3.29Å; A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.32Å; A516-V519 PolarHBondContact O-N 3.13Å; A516-W520 WeakPolarHBondContact O-CB 3.36Å; A516-W520 PolarHBondContact O-N 3.25Å
517	I	85.7	Confident	82.4	Confident	51 Å²	51	46.2 Å²	46.2	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-38.6	176.9	-66.4	165.9	0	0	0	111.1	T457 V513 Y514 G515 W520 L521	T457-I517 HydrophobicContact CG2-CD1 4.16Å; T457-I517 HydrophobicContact CG2-CG2 3.99Å; V513-I517 HydrophobicContact CG1-CD1 3.76Å; V513-I517 HydrophobicContact CG1-CG1 4.41Å; V513-I517 VanDerWaalsContact O-CG1 3.28Å; V513-I517 WeakPolarHBondContact O-CG1 3.32Å; V513-I517 PolarHBondContact O-N 3.31Å; Y514-I517 HydrophobicContact CD1-CD1 4.24Å; Y514-I517 PolarHBondContact O-N 3.1Å; G515-I517 PolarHBondContact O-N 3.03Å; I517-W520 PolarHBondContact O-N 3.49Å; I517-L521 WeakPolarHBondContact O-CB 3.49Å; I517-L521 PolarHBondContact O-N 2.81Å
518	A	86	Confident	81.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-45.1	178.7	0	0	0	0	0	111.8	Y514 G515 A516 L521 T522 L537 L544	Y514-A518 WeakPolarHBondContact O-CB 3.43Å; Y514-A518 PolarHBondContact O-N 2.98Å; G515-A518 PolarHBondContact O-N 3.34Å; A516-A518 VanDerWaalsContact C-N 3.32Å; A516-A518 PolarHBondContact O-N 3.32Å; A518-L521 PolarHBondContact O-N 3.09Å; A518-T522 WeakPolarHBondContact O-CG2 3.21Å; A518-T522 PolarHBondContact O-N 3.16Å; A518-T522 PolarHBondContact O-OG1 2.84Å; A518-T522 VanDerWaalsContact O-OG1 3.12Å; A518-L537 HydrophobicContact CB-CD1 4.13Å; A518-L544 HydrophobicContact CB-CD1 4.43Å
519	V	85.8	Confident	81.6	Confident	56 Å²	56	48.9 Å²	48.9	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-53.5	175.3	175.4	0	0	0	0	110.2	G515 A516 L521 T522 E523 L537	G515-V519 PolarHBondContact O-N 2.99Å; A516-V519 PolarHBondContact O-N 3.13Å; V519-L521 VanDerWaalsContact C-N 3.27Å; V519-L521 PolarHBondContact O-N 3.24Å; V519-T522 WeakPolarHBondContact CA-OG1 3.47Å; V519-T522 PolarHBondContact O-N 2.95Å; V519-T522 PolarHBondContact O-OG1 3Å; V519-E523 HydrophobicContact CG1-CG 4.38Å; V519-E523 WeakPolarHBondContact O-CG 3.21Å; V519-E523 PolarHBondContact O-N 3.37Å; V519-L537 HydrophobicContact CG2-CD1 3.92Å; V519-L537 HydrophobicContact CG2-CD2 4.46Å
520	W	85.2	Confident	81.4	Confident	154 Å²	154	51.2 Å²	51.2	58%	0.583	26%	0.262	S	S	*	.	H	α-helix	trans	-55.6	-42.9	178.8	178.8	74	0	0	0	112.4	A516 I517 T522 E523 L524	A516-W520 WeakPolarHBondContact O-CB 3.36Å; A516-W520 PolarHBondContact O-N 3.25Å; I517-W520 PolarHBondContact O-N 3.49Å; W520-T522 PolarHBondContact O-N 2.78Å; W520-E523 PolarHBondContact O-N 3.43Å; W520-L524 HydrophobicContact CD2-CD1 4.05Å; W520-L524 HydrophobicContact CE3-CD1 4.08Å; W520-L524 HydrophobicContact CH2-CD1 3.66Å; W520-L524 HydrophobicContact CZ2-CD1 3.6Å; W520-L524 HydrophobicContact CZ3-CD1 3.89Å; W520-L524 WeakPolarHBondContact O-CG 3.41Å; W520-L524 PolarHBondContact O-N 2.87Å; W520-L524 VanDerWaalsContact O-N 3.15Å
521	L	81.9	Confident	81.2	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-37.4	179.1	-170.9	60.6	0	0	0	112.2	V450 I517 A518 V519 E525 K540	V450-L521 HydrophobicContact CB-CD1 4.11Å; V450-L521 HydrophobicContact CG1-CD1 4.02Å; V450-L521 HydrophobicContact CG1-CD2 4.14Å; V450-L521 HydrophobicContact CG1-CG 4.13Å; V450-L521 HydrophobicContact CG2-CD1 3.79Å; V450-L521 HydrophobicContact CG2-CG 4.5Å; I517-L521 WeakPolarHBondContact O-CB 3.49Å; I517-L521 PolarHBondContact O-N 2.81Å; A518-L521 PolarHBondContact O-N 3.09Å; V519-L521 VanDerWaalsContact C-N 3.27Å; V519-L521 PolarHBondContact O-N 3.24Å; L521-E525 PolarHBondContact O-N 3.47Å; L521-K540 HydrophobicContact CD2-CD 3.77Å; L521-K540 HydrophobicContact CG-CD 4.16Å
522	T	82.8	Confident	81.1	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-73.9	-33.4	176.9	55	0	0	0	0	113.6	A518 V519 W520 L524 E525 F533 L537 K540	A518-T522 WeakPolarHBondContact O-CG2 3.21Å; A518-T522 PolarHBondContact O-N 3.16Å; A518-T522 PolarHBondContact O-OG1 2.84Å; A518-T522 VanDerWaalsContact O-OG1 3.12Å; V519-T522 WeakPolarHBondContact CA-OG1 3.47Å; V519-T522 PolarHBondContact O-N 2.95Å; V519-T522 PolarHBondContact O-OG1 3Å; W520-T522 PolarHBondContact O-N 2.78Å; T522-L524 VanDerWaalsContact C-N 3.3Å; T522-L524 PolarHBondContact O-N 3.22Å; T522-E525 PolarHBondContact O-N 3.02Å; T522-F533 WeakPolarHBondContact OG1-CE2 3.44Å; T522-L537 HydrophobicContact CG2-CB 3.96Å; T522-L537 HydrophobicContact CG2-CD1 4.05Å; T522-K540 HydrophobicContact CG2-CD 4.1Å
523	E	82.6	Confident	81.2	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.402	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-38.4	172.8	-72.1	175.9	171.5	0	0	111.1	V519 W520 E525 L526 F533	V519-E523 HydrophobicContact CG1-CG 4.38Å; V519-E523 WeakPolarHBondContact O-CG 3.21Å; V519-E523 PolarHBondContact O-N 3.37Å; W520-E523 PolarHBondContact O-N 3.43Å; E523-E525 VanDerWaalsContact C-N 3.27Å; E523-E525 PolarHBondContact O-N 2.72Å; E523-L526 PolarHBondContact O-N 2.76Å; E523-F533 HydrophobicContact CG-CE2 4.49Å
524	L	77.9	Confident	81.1	Confident	78 Å²	78	54.2 Å²	54.2	41%	0.408	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-28.8	174.2	-72	177.1	0	0	0	113.6	W520 T522 L526	W520-L524 HydrophobicContact CD2-CD1 4.05Å; W520-L524 HydrophobicContact CE3-CD1 4.08Å; W520-L524 HydrophobicContact CH2-CD1 3.66Å; W520-L524 HydrophobicContact CZ2-CD1 3.6Å; W520-L524 HydrophobicContact CZ3-CD1 3.89Å; W520-L524 WeakPolarHBondContact O-CG 3.41Å; W520-L524 PolarHBondContact O-N 2.87Å; W520-L524 VanDerWaalsContact O-N 3.15Å; T522-L524 VanDerWaalsContact C-N 3.3Å; T522-L524 PolarHBondContact O-N 3.22Å; L524-L526 VanDerWaalsContact C-N 3.33Å
525	E	75.2	Confident	81.2	Confident	32 Å²	32	58 Å²	58	15%	0.15	29%	0.288	C	S	.	.	H	α-helix	trans	-74.2	-21.7	-179.7	-78.2	-178.3	-169.8	0	0	114.1	V450 L521 T522 E523 R536 K540	V450-E525 WeakPolarHBondContact CG1-OE1 3.14Å; V450-E525 HydrophobicContact CG2-CG 3.9Å; L521-E525 PolarHBondContact O-N 3.47Å; T522-E525 PolarHBondContact O-N 3.02Å; E523-E525 VanDerWaalsContact C-N 3.27Å; E523-E525 PolarHBondContact O-N 2.72Å; E525-R536 IonicContact OE2-NH1 3.55Å; E525-K540 WeakPolarHBondContact OE1-CE 3.46Å; E525-K540 IonicContact OE1-NZ 2.73Å; E525-K540 PolarHBondContact OE1-NZ 3.18Å; E525-K540 IonicContact OE2-NZ 2.99Å; E525-K540 PolarHBondContact OE2-NZ 3.41Å
526	L	75.6	Confident	81.2	Confident	68 Å²	68	62 Å²	62	36%	0.356	30%	0.299	S	S	.	.			trans	44.2	66	-177.2	-67.7	169.7	0	0	0	112.9	Y412 A415 E523 L524	Y412-L526 HydrophobicContact CD2-CB 4.44Å; Y412-L526 VanDerWaalsContact CD2-O 3.28Å; Y412-L526 WeakPolarHBondContact CD2-O 3.17Å; Y412-L526 WeakPolarHBondContact CE2-O 3.44Å; A415-L526 HydrophobicContact CB-CD1 4.26Å; E523-L526 PolarHBondContact O-N 2.76Å; L524-L526 VanDerWaalsContact C-N 3.33Å
527	P	76.9	Confident	81.3	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.032	28%	0.283	C	S	.	.			trans	-64.4	157.6	173.6	27.8	-33.5	0	0	0	112	Y412 E532 F533	Y412-P527 WeakPolarHBondContact CD2-O 3.06Å; P527-E532 HydrophobicContact CB-CB 4.19Å; P527-F533 HydrophobicContact CB-CB 4.44Å; P527-F533 HydrophobicContact CG-CB 3.56Å; P527-F533 HydrophobicContact CG-CD2 3.6Å; P527-F533 HydrophobicContact CG-CG 4.05Å
528	K	71.3	Confident	81.5	Confident	83 Å²	83	59.1 Å²	59.1	36%	0.361	28%	0.275	S	S	.	.	S	Bend	trans	-76.5	-41.6	-172	-174.5	-170.7	170.5	-153	0	112.6	L408 R409 Y412	L408-K528 HydrophobicContact CD2-CG 4.33Å; R409-K528 PolarHBondContact N-O 3.5Å; R409-K528 VanDerWaalsContact N-O 3.15Å; Y412-K528 HydrophobicContact CE1-CG 4.23Å
529	T	75.6	Confident	81.5	Confident	17 Å²	17	64.6 Å²	64.6	10%	0.104	30%	0.299	C	S	.	.	S	Bend	trans	-117.9	160.5	-174.8	61.7	0	0	0	0	111.1	E532 F533	T529-E532 WeakPolarHBondContact OG1-CB 3.39Å; T529-E532 WeakPolarHBondContact OG1-CG 3.17Å; T529-E532 PolarHBondContact OG1-N 3.47Å; T529-F533 PolarHBondContact O-N 3.35Å; T529-F533 VanDerWaalsContact O-N 3.11Å
530	E	77.4	Confident	81.5	Confident	137 Å²	137	62.9 Å²	62.9	64%	0.64	29%	0.287	S	S	*	.	H	α-helix	trans	-67.5	-39.9	176.1	-170.8	165.5	-166.9	0	0	111.8	E532 F533 E534	E530-E532 PolarHBondContact O-N 3.26Å; E530-F533 WeakPolarHBondContact O-CB 3.15Å; E530-F533 PolarHBondContact O-N 3.42Å; E530-F533 VanDerWaalsContact O-N 3.11Å; E530-E534 PolarHBondContact O-N 3.26Å
531	E	78.6	Confident	81.7	Confident	100 Å²	100	56.3 Å²	56.3	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-59.2	-47	174.4	-173.1	-179.4	-169	0	0	111.9	F533 E534 E535	E531-F533 VanDerWaalsContact C-N 3.27Å; E531-F533 PolarHBondContact O-N 3.21Å; E531-E534 PolarHBondContact O-N 3.28Å; E531-E535 WeakPolarHBondContact O-CG 3.39Å; E531-E535 PolarHBondContact O-N 3.23Å
532	E	80.6	Confident	82	Confident	72 Å²	72	56.9 Å²	56.9	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-33.4	175.8	-78.5	-173.8	-153.8	0	0	112.3	P527 T529 E530 R536	P527-E532 HydrophobicContact CB-CB 4.19Å; T529-E532 WeakPolarHBondContact OG1-CB 3.39Å; T529-E532 WeakPolarHBondContact OG1-CG 3.17Å; T529-E532 PolarHBondContact OG1-N 3.47Å; E530-E532 PolarHBondContact O-N 3.26Å; E532-R536 WeakPolarHBondContact O-CB 3.49Å; E532-R536 WeakPolarHBondContact O-CG 3.18Å; E532-R536 PolarHBondContact O-N 3.32Å; E532-R536 VanDerWaalsContact O-N 3.14Å; E532-R536 IonicContact OE2-CZ 2.81Å; E532-R536 IonicContact OE2-NH2 3.24Å; E532-R536 PolarHBondContact OE2-NH2 2.68Å
533	F	84.3	Confident	82.2	Confident	30 Å²	30	60.3 Å²	60.3	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-50.3	175	178.1	-104.7	0	0	0	111	R409 T522 E523 P527 T529 E530 E531 R536 L537	R409-F533 VanDerWaalsContact NH1-CG 3.26Å; T522-F533 WeakPolarHBondContact OG1-CE2 3.44Å; E523-F533 HydrophobicContact CG-CE2 4.49Å; P527-F533 HydrophobicContact CB-CB 4.44Å; P527-F533 HydrophobicContact CG-CB 3.56Å; P527-F533 HydrophobicContact CG-CD2 3.6Å; P527-F533 HydrophobicContact CG-CG 4.05Å; T529-F533 PolarHBondContact O-N 3.35Å; T529-F533 VanDerWaalsContact O-N 3.11Å; E530-F533 WeakPolarHBondContact O-CB 3.15Å; E530-F533 PolarHBondContact O-N 3.42Å; E530-F533 VanDerWaalsContact O-N 3.11Å; E531-F533 VanDerWaalsContact C-N 3.27Å; E531-F533 PolarHBondContact O-N 3.21Å; F533-R536 PolarHBondContact O-N 2.95Å; F533-L537 HydrophobicContact CE1-CD2 4.05Å; F533-L537 HydrophobicContact CZ-CD2 4.31Å; F533-L537 WeakPolarHBondContact O-CB 3.31Å; F533-L537 PolarHBondContact O-N 3Å
534	E	84.8	Confident	82.2	Confident	78 Å²	78	56.3 Å²	56.3	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-47.6	178.3	-71.4	-166.2	158.4	0	0	111.5	E530 E531 R536 L537 I538	E530-E534 PolarHBondContact O-N 3.26Å; E531-E534 PolarHBondContact O-N 3.28Å; E534-R536 PolarHBondContact O-N 3.24Å; E534-L537 PolarHBondContact O-N 3Å; E534-I538 VanDerWaalsContact O-CB 3.32Å; E534-I538 WeakPolarHBondContact O-CB 3.44Å; E534-I538 WeakPolarHBondContact O-CD1 3.45Å; E534-I538 WeakPolarHBondContact O-CG1 3.37Å; E534-I538 PolarHBondContact O-N 3.41Å
535	E	86.5	Confident	82.6	Confident	82 Å²	82	54.3 Å²	54.3	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-45	179.3	-73.8	-167.4	149.3	0	0	112.5	E531 F539	E531-E535 WeakPolarHBondContact O-CG 3.39Å; E531-E535 PolarHBondContact O-N 3.23Å; E535-F539 WeakPolarHBondContact O-CB 3.47Å; E535-F539 PolarHBondContact O-N 3.11Å
536	R	85.1	Confident	83.2	Confident	99 Å²	99	53.3 Å²	53.3	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-68.6	-38.1	178.4	-70.7	178.2	-165.3	-160.6	12.6	111.9	E525 E532 F533 E534 K540	E525-R536 IonicContact OE2-NH1 3.55Å; E532-R536 WeakPolarHBondContact O-CB 3.49Å; E532-R536 WeakPolarHBondContact O-CG 3.18Å; E532-R536 PolarHBondContact O-N 3.32Å; E532-R536 VanDerWaalsContact O-N 3.14Å; E532-R536 IonicContact OE2-CZ 2.81Å; E532-R536 IonicContact OE2-NH2 3.24Å; E532-R536 PolarHBondContact OE2-NH2 2.68Å; F533-R536 PolarHBondContact O-N 2.95Å; E534-R536 PolarHBondContact O-N 3.24Å; R536-K540 WeakPolarHBondContact O-CG 3.26Å; R536-K540 PolarHBondContact O-N 2.99Å; R536-K540 VanDerWaalsContact O-N 3.09Å
537	L	87.5	Confident	83.5	Confident	38 Å²	38	52 Å²	52	20%	0.199	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-47.7	176.6	175.8	59.6	0	0	0	110.6	A518 V519 T522 F533 E534 F539 K540 S541	A518-L537 HydrophobicContact CB-CD1 4.13Å; V519-L537 HydrophobicContact CG2-CD1 3.92Å; V519-L537 HydrophobicContact CG2-CD2 4.46Å; T522-L537 HydrophobicContact CG2-CB 3.96Å; T522-L537 HydrophobicContact CG2-CD1 4.05Å; F533-L537 HydrophobicContact CE1-CD2 4.05Å; F533-L537 HydrophobicContact CZ-CD2 4.31Å; F533-L537 WeakPolarHBondContact O-CB 3.31Å; F533-L537 PolarHBondContact O-N 3Å; E534-L537 PolarHBondContact O-N 3Å; L537-F539 PolarHBondContact O-N 2.74Å; L537-K540 PolarHBondContact O-N 2.97Å; L537-S541 WeakPolarHBondContact O-CB 3.5Å; L537-S541 PolarHBondContact O-N 3.32Å
538	I	89.9	Confident	83.9	Confident	17 Å²	17	52 Å²	52	9%	0.087	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-50.6	176.6	-71.5	164.1	0	0	0	110.1	E534 K540 F542 I722 W723 I726	E534-I538 VanDerWaalsContact O-CB 3.32Å; E534-I538 WeakPolarHBondContact O-CB 3.44Å; E534-I538 WeakPolarHBondContact O-CD1 3.45Å; E534-I538 WeakPolarHBondContact O-CG1 3.37Å; E534-I538 PolarHBondContact O-N 3.41Å; I538-K540 PolarHBondContact O-N 3.14Å; I538-F542 WeakPolarHBondContact O-CB 3.43Å; I538-F542 PolarHBondContact O-N 3.19Å; I538-I722 HydrophobicContact CB-CG2 4.04Å; I538-I722 HydrophobicContact CD1-CG2 4.12Å; I538-I722 HydrophobicContact CG2-CG2 3.51Å; I538-W723 HydrophobicContact CB-CZ2 4.37Å; I538-W723 HydrophobicContact CD1-CZ2 4.37Å; I538-W723 HydrophobicContact CG1-CZ2 4.07Å; I538-W723 HydrophobicContact CG2-CD2 3.94Å; I538-W723 HydrophobicContact CG2-CE3 3.92Å; I538-W723 HydrophobicContact CG2-CH2 3.52Å; I538-W723 HydrophobicContact CG2-CZ2 3.43Å; I538-W723 VanDerWaalsContact CG2-CZ2 3.43Å; I538-W723 HydrophobicContact CG2-CZ3 3.75Å; I538-I726 HydrophobicContact CG2-CD1 4.17Å
539	F	86.8	Confident	84.5	Confident	115 Å²	115	48 Å²	48	50%	0.504	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-47.1	-178.1	-177.4	-97.7	0	0	0	112.6	E535 L537 F543	E535-F539 WeakPolarHBondContact O-CB 3.47Å; E535-F539 PolarHBondContact O-N 3.11Å; L537-F539 PolarHBondContact O-N 2.74Å; F539-F543 WeakPolarHBondContact O-CB 3.31Å; F539-F543 PolarHBondContact O-N 2.97Å
540	K	86.1	Confident	85	Confident	19 Å²	19	47.8 Å²	47.8	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-46.7	-180	-69.8	-168.1	-168.1	81.7	0	112.5	L521 T522 E525 R536 L537 I538 F542 F543 L544	L521-K540 HydrophobicContact CD2-CD 3.77Å; L521-K540 HydrophobicContact CG-CD 4.16Å; T522-K540 HydrophobicContact CG2-CD 4.1Å; E525-K540 WeakPolarHBondContact OE1-CE 3.46Å; E525-K540 IonicContact OE1-NZ 2.73Å; E525-K540 PolarHBondContact OE1-NZ 3.18Å; E525-K540 IonicContact OE2-NZ 2.99Å; E525-K540 PolarHBondContact OE2-NZ 3.41Å; R536-K540 WeakPolarHBondContact O-CG 3.26Å; R536-K540 PolarHBondContact O-N 2.99Å; R536-K540 VanDerWaalsContact O-N 3.09Å; L537-K540 PolarHBondContact O-N 2.97Å; I538-K540 PolarHBondContact O-N 3.14Å; K540-F542 VanDerWaalsContact C-N 3.31Å; K540-F542 PolarHBondContact O-N 3.36Å; K540-F543 PolarHBondContact O-N 3Å; K540-L544 WeakPolarHBondContact O-CG 3.3Å; K540-L544 PolarHBondContact O-N 2.89Å
541	S	87.8	Confident	85.4	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-46.6	177.3	-174	0	0	0	0	110.1	L537 F543 L544 K545 M667	L537-S541 WeakPolarHBondContact O-CB 3.5Å; L537-S541 PolarHBondContact O-N 3.32Å; S541-F543 PolarHBondContact O-N 3.34Å; S541-L544 PolarHBondContact O-N 3.49Å; S541-K545 WeakPolarHBondContact O-CB 3.19Å; S541-K545 WeakPolarHBondContact O-CG 3.02Å; S541-K545 PolarHBondContact O-N 3.45Å; S541-M667 WeakPolarHBondContact O-CE 3.46Å; S541-M667 WeakPolarHBondContact OG-CE 3.25Å
542	F	89.3	Confident	85.6	Confident	22 Å²	22	37.3 Å²	37.3	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-48.7	177.2	172.8	-99	0	0	0	111.9	I538 K540 L544 S546 M667 I670 I671 W723 I726 I730	I538-F542 WeakPolarHBondContact O-CB 3.43Å; I538-F542 PolarHBondContact O-N 3.19Å; K540-F542 VanDerWaalsContact C-N 3.31Å; K540-F542 PolarHBondContact O-N 3.36Å; F542-L544 PolarHBondContact O-N 2.89Å; F542-S546 WeakPolarHBondContact O-CB 3.29Å; F542-S546 PolarHBondContact O-N 3.46Å; F542-S546 PolarHBondContact O-OG 3.12Å; F542-M667 VanDerWaalsContact CA-CE 3.48Å; F542-M667 HydrophobicContact CB-CE 4.44Å; F542-I670 HydrophobicContact CD2-CG2 4.38Å; F542-I670 HydrophobicContact CE2-CG2 3.83Å; F542-I671 HydrophobicContact CE2-CG1 4.48Å; F542-W723 HydrophobicContact CB-CZ3 4.45Å; F542-W723 HydrophobicContact CD2-CZ3 4.29Å; F542-I726 HydrophobicContact CB-CD1 4.29Å; F542-I726 HydrophobicContact CD1-CD1 4.11Å; F542-I726 HydrophobicContact CD1-CG1 4.32Å; F542-I726 HydrophobicContact CD1-CG2 3.84Å; F542-I726 HydrophobicContact CD2-CG2 4.1Å; F542-I726 HydrophobicContact CE1-CG2 3.49Å; F542-I726 VanDerWaalsContact CE1-CG2 3.49Å; F542-I726 HydrophobicContact CE2-CG2 3.77Å; F542-I726 HydrophobicContact CG-CD1 4.1Å; F542-I726 HydrophobicContact CG-CG2 4.15Å; F542-I726 HydrophobicContact CZ-CG2 3.47Å; F542-I726 VanDerWaalsContact CZ-CG2 3.47Å; F542-I730 HydrophobicContact CE2-CD1 4.09Å; F542-I730 HydrophobicContact CZ-CD1 3.64Å; F542-I730 HydrophobicContact CZ-CG1 4.09Å
543	F	85.9	Confident	85.9	Confident	73 Å²	73	33.9 Å²	33.9	32%	0.32	16%	0.157	S	C	.	.	H	α-helix	trans	-61.8	-45.9	-178.9	-171.5	-100	0	0	0	112.1	L454 I458 F539 K540 S541 S546 M547	L454-F543 HydrophobicContact CD2-CD1 4.31Å; L454-F543 HydrophobicContact CD2-CE1 4.16Å; I458-F543 HydrophobicContact CD1-CE1 3.72Å; I458-F543 HydrophobicContact CD1-CZ 4.41Å; I458-F543 HydrophobicContact CG1-CE1 4.18Å; F539-F543 WeakPolarHBondContact O-CB 3.31Å; F539-F543 PolarHBondContact O-N 2.97Å; K540-F543 PolarHBondContact O-N 3Å; S541-F543 PolarHBondContact O-N 3.34Å; F543-S546 PolarHBondContact O-OG 3.25Å; F543-S546 VanDerWaalsContact O-OG 3.08Å; F543-M547 HydrophobicContact CD1-SD 3.87Å; F543-M547 HydrophobicContact CE1-CG 4.28Å; F543-M547 HydrophobicContact CE1-SD 3.18Å; F543-M547 WeakPolarHBondContact CE1-SD 3.42Å; F543-M547 HydrophobicContact CE2-SD 4.11Å; F543-M547 HydrophobicContact CZ-CG 4.29Å; F543-M547 HydrophobicContact CZ-SD 3.33Å; F543-M547 WeakPolarHBondContact CZ-SD 3.39Å; F543-M547 WeakPolarHBondContact O-CB 3.49Å; F543-M547 VanDerWaalsContact O-CG 3.29Å; F543-M547 WeakPolarHBondContact O-CG 3.46Å; F543-M547 PolarHBondContact O-N 2.77Å
544	L	84.3	Confident	86.1	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-65.9	-48.7	179.5	-67.9	173.6	0	0	0	112.5	L454 T457 Y514 A518 K540 S541 F542 M547 N548	L454-L544 HydrophobicContact CD1-CD2 4.35Å; T457-L544 VanDerWaalsContact OG1-CD2 3.28Å; T457-L544 WeakPolarHBondContact OG1-CD2 3.34Å; Y514-L544 HydrophobicContact CD1-CB 4.39Å; Y514-L544 HydrophobicContact CG-CB 4.19Å; A518-L544 HydrophobicContact CB-CD1 4.43Å; K540-L544 WeakPolarHBondContact O-CG 3.3Å; K540-L544 PolarHBondContact O-N 2.89Å; S541-L544 PolarHBondContact O-N 3.49Å; F542-L544 PolarHBondContact O-N 2.89Å; L544-M547 PolarHBondContact O-N 2.85Å; L544-N548 WeakPolarHBondContact O-CB 3.36Å; L544-N548 PolarHBondContact O-N 3.21Å
545	K	86.3	Confident	86.1	Confident	36 Å²	36	32.8 Å²	32.8	16%	0.157	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-39.5	-179.9	-63.3	-161.6	-156.3	174.5	0	112	E511 S541 N548 A549 M667 I671	E511-K545 HydrophobicContact CB-CD 4.49Å; S541-K545 WeakPolarHBondContact O-CB 3.19Å; S541-K545 WeakPolarHBondContact O-CG 3.02Å; S541-K545 PolarHBondContact O-N 3.45Å; K545-N548 PolarHBondContact O-N 3.5Å; K545-A549 WeakPolarHBondContact O-CB 3Å; K545-A549 PolarHBondContact O-N 2.69Å; K545-M667 HydrophobicContact CB-CE 3.57Å; K545-M667 HydrophobicContact CD-CE 3.29Å; K545-M667 HydrophobicContact CD-SD 3.58Å; K545-M667 VanDerWaalsContact CD-SD 3.58Å; K545-M667 VanDerWaalsContact CE-SD 3.57Å; K545-M667 HydrophobicContact CG-CE 3.51Å; K545-M667 HydrophobicContact CG-SD 4.45Å; K545-M667 PolarHBondContact NZ-SD 3.02Å; K545-M667 VanDerWaalsContact NZ-SD 3.38Å; K545-I671 HydrophobicContact CB-CD1 4.2Å
546	S	86.1	Confident	85.9	Confident	10 Å²	10	29 Å²	29	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-41.1	177.2	62.9	0	0	0	0	112.4	F542 F543 A549 F550	F542-S546 WeakPolarHBondContact O-CB 3.29Å; F542-S546 PolarHBondContact O-N 3.46Å; F542-S546 PolarHBondContact O-OG 3.12Å; F543-S546 PolarHBondContact O-OG 3.25Å; F543-S546 VanDerWaalsContact O-OG 3.08Å; S546-A549 PolarHBondContact O-N 3.48Å; S546-F550 WeakPolarHBondContact O-CB 3.25Å; S546-F550 WeakPolarHBondContact O-CD2 3.41Å; S546-F550 VanDerWaalsContact O-CG 3.24Å; S546-F550 WeakPolarHBondContact O-CG 3.43Å; S546-F550 PolarHBondContact O-N 3.08Å
547	M	83.1	Confident	85.9	Confident	40 Å²	40	24.8 Å²	24.8	20%	0.197	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-44.7	173.4	-76.6	-168.5	71.8	0	0	111.7	I458 F462 F543 L544 A549 A551	I458-M547 HydrophobicContact CB-CE 4.32Å; I458-M547 HydrophobicContact CD1-SD 4.19Å; I458-M547 HydrophobicContact CG1-CE 4Å; I458-M547 HydrophobicContact CG1-SD 3.79Å; I458-M547 HydrophobicContact CG2-CE 3.58Å; I458-M547 HydrophobicContact CG2-SD 4.49Å; F462-M547 HydrophobicContact CE2-CE 3.81Å; F462-M547 HydrophobicContact CZ-CE 4.39Å; F543-M547 HydrophobicContact CD1-SD 3.87Å; F543-M547 HydrophobicContact CE1-CG 4.28Å; F543-M547 HydrophobicContact CE1-SD 3.18Å; F543-M547 WeakPolarHBondContact CE1-SD 3.42Å; F543-M547 HydrophobicContact CE2-SD 4.11Å; F543-M547 HydrophobicContact CZ-CG 4.29Å; F543-M547 HydrophobicContact CZ-SD 3.33Å; F543-M547 WeakPolarHBondContact CZ-SD 3.39Å; F543-M547 WeakPolarHBondContact O-CB 3.49Å; F543-M547 VanDerWaalsContact O-CG 3.29Å; F543-M547 WeakPolarHBondContact O-CG 3.46Å; F543-M547 PolarHBondContact O-N 2.77Å; L544-M547 PolarHBondContact O-N 2.85Å; M547-A549 PolarHBondContact O-N 3.03Å; M547-A551 WeakPolarHBondContact O-CA 3.45Å; M547-A551 WeakPolarHBondContact O-CB 3.36Å; M547-A551 PolarHBondContact O-N 3.48Å
548	N	84.1	Confident	85.8	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176.7	-173	49.8	0	0	0	112.3	T461 V507 Y514 L544 K545 P552	T461-N548 HydrophobicContact CG2-CB 4.26Å; V507-N548 PolarHBondContact O-ND2 3.01Å; V507-N548 VanDerWaalsContact O-ND2 3.09Å; Y514-N548 HydrophobicContact CD2-CB 3.89Å; Y514-N548 HydrophobicContact CE2-CB 3.73Å; L544-N548 WeakPolarHBondContact O-CB 3.36Å; L544-N548 PolarHBondContact O-N 3.21Å; K545-N548 PolarHBondContact O-N 3.5Å; N548-P552 WeakPolarHBondContact O-CD 3.27Å
549	A	84.4	Confident	85.5	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.9	-38.4	-178.7	0	0	0	0	0	112.7	K545 S546 M547 I671 F675	K545-A549 WeakPolarHBondContact O-CB 3Å; K545-A549 PolarHBondContact O-N 2.69Å; S546-A549 PolarHBondContact O-N 3.48Å; M547-A549 PolarHBondContact O-N 3.03Å; A549-I671 HydrophobicContact CB-CG2 4.47Å; A549-F675 HydrophobicContact CB-CZ 4.08Å
550	F	86.9	Confident	85.2	Confident	13 Å²	13	23.9 Å²	23.9	6%	0.057	11%	0.113	C	C	.	.	H	α-helix	trans	-91.4	-24.1	-176.5	-54.8	-37.9	0	0	0	114	S546 I553 F554 F675 L678 F679	S546-F550 WeakPolarHBondContact O-CB 3.25Å; S546-F550 WeakPolarHBondContact O-CD2 3.41Å; S546-F550 VanDerWaalsContact O-CG 3.24Å; S546-F550 WeakPolarHBondContact O-CG 3.43Å; S546-F550 PolarHBondContact O-N 3.08Å; F550-I553 CarbonylContact O-C 3.55Å; F550-I553 WeakPolarHBondContact O-CA 3.27Å; F550-I553 WeakPolarHBondContact O-CB 3.49Å; F550-I553 PolarHBondContact O-N 2.86Å; F550-F554 HydrophobicContact CB-CD2 3.6Å; F550-F554 HydrophobicContact CB-CE2 3.42Å; F550-F554 VanDerWaalsContact CB-CE2 3.42Å; F550-F554 HydrophobicContact CD2-CE2 4.48Å; F550-F554 HydrophobicContact CG-CE2 4.26Å; F550-F554 WeakPolarHBondContact O-CD2 3.34Å; F550-F554 PolarHBondContact O-N 2.95Å; F550-F675 AromaticContact CD1-CD1 3.92Å; F550-F675 HydrophobicContact CD1-CD1 3.92Å; F550-F675 AromaticContact CD1-CE1 3.52Å; F550-F675 HydrophobicContact CD1-CE1 3.52Å; F550-F675 HydrophobicContact CD1-CZ 4.2Å; F550-F675 AromaticContact CE1-CD1 3.61Å; F550-F675 HydrophobicContact CE1-CD1 3.61Å; F550-F675 AromaticContact CE1-CE1 3.48Å; F550-F675 HydrophobicContact CE1-CE1 3.48Å; F550-F675 VanDerWaalsContact CE1-CE1 3.48Å; F550-F675 HydrophobicContact CE1-CE2 4.46Å; F550-F675 HydrophobicContact CE1-CG 4.15Å; F550-F675 AromaticContact CE1-CZ 3.94Å; F550-F675 HydrophobicContact CE1-CZ 3.94Å; F550-L678 HydrophobicContact CD2-CD1 4.06Å; F550-L678 HydrophobicContact CE1-CD1 4.37Å; F550-L678 HydrophobicContact CE2-CD1 3.76Å; F550-L678 HydrophobicContact CG-CD1 4.5Å; F550-L678 HydrophobicContact CZ-CD1 3.95Å; F550-F679 HydrophobicContact CD1-CE2 4.09Å
551	A	85.4	Confident	84.7	Confident	11 Å²	11	24.4 Å²	24.4	9%	0.091	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-44.3	-175.3	0	0	0	0	0	114.2	V465 M547 I553 F554 Y555	V465-A551 HydrophobicContact CG2-CB 3.97Å; M547-A551 WeakPolarHBondContact O-CA 3.45Å; M547-A551 WeakPolarHBondContact O-CB 3.36Å; M547-A551 PolarHBondContact O-N 3.48Å; A551-I553 PolarHBondContact O-N 3.38Å; A551-F554 PolarHBondContact O-N 3.41Å; A551-Y555 WeakPolarHBondContact O-CB 3.21Å; A551-Y555 PolarHBondContact O-N 3.46Å
552	P	83.3	Confident	84.3	Confident	6 Å²	6	28.5 Å²	28.5	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-33.6	174.6	-23.9	33.8	0	0	0	113.2	V465 N503 V507 N548 V556 Q594	V465-P552 HydrophobicContact CG2-CG 4.05Å; N503-P552 VanDerWaalsContact ND2-CB 3.29Å; N503-P552 WeakPolarHBondContact ND2-CB 3.41Å; N503-P552 WeakPolarHBondContact OD1-CB 3.44Å; N503-P552 WeakPolarHBondContact OD1-CG 3.23Å; V507-P552 HydrophobicContact CG2-CG 4Å; N548-P552 WeakPolarHBondContact O-CD 3.27Å; P552-V556 WeakPolarHBondContact O-CG2 3.31Å; P552-V556 PolarHBondContact O-N 3.17Å; P552-Q594 VanDerWaalsContact C-NE2 3.32Å; P552-Q594 PolarHBondContact O-NE2 3.48Å
553	I	86.3	Confident	83.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-74.9	-43.6	179.6	-56	-178.5	0	0	0	109.8	F550 A551 Y555 V556 A557 L591 I598 F675 F679	F550-I553 CarbonylContact O-C 3.55Å; F550-I553 WeakPolarHBondContact O-CA 3.27Å; F550-I553 WeakPolarHBondContact O-CB 3.49Å; F550-I553 PolarHBondContact O-N 2.86Å; A551-I553 PolarHBondContact O-N 3.38Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 3.37Å; I553-V556 PolarHBondContact O-N 2.9Å; I553-A557 VanDerWaalsContact O-CB 3.29Å; I553-A557 WeakPolarHBondContact O-CB 3.38Å; I553-A557 PolarHBondContact O-N 3.34Å; I553-L591 HydrophobicContact CB-CD1 4.34Å; I553-L591 HydrophobicContact CG2-CD1 3.43Å; I553-L591 VanDerWaalsContact CG2-CD1 3.43Å; I553-L591 HydrophobicContact CG2-CG 4.33Å; I553-L591 WeakPolarHBondContact O-CD1 3.38Å; I553-I598 HydrophobicContact CD1-CD1 4.21Å; I553-I598 HydrophobicContact CG1-CD1 4.24Å; I553-F675 HydrophobicContact CD1-CD1 3.94Å; I553-F675 HydrophobicContact CD1-CE1 3.5Å; I553-F679 HydrophobicContact CB-CE1 4.41Å; I553-F679 HydrophobicContact CB-CE2 4.37Å; I553-F679 HydrophobicContact CB-CZ 4.05Å; I553-F679 HydrophobicContact CD1-CE2 4.44Å; I553-F679 HydrophobicContact CG2-CD1 3.74Å; I553-F679 HydrophobicContact CG2-CD2 4.05Å; I553-F679 HydrophobicContact CG2-CE1 3.46Å; I553-F679 VanDerWaalsContact CG2-CE1 3.46Å; I553-F679 HydrophobicContact CG2-CE2 3.78Å; I553-F679 HydrophobicContact CG2-CG 4.04Å; I553-F679 HydrophobicContact CG2-CZ 3.47Å; I553-F679 VanDerWaalsContact CG2-CZ 3.47Å
554	F	87.9	Confident	83.1	Confident	45 Å²	45	30.3 Å²	30.3	20%	0.197	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-39.7	173.1	-81.1	-59.9	0	0	0	112.3	F550 A551 F558 F679 F733 T737	F550-F554 HydrophobicContact CB-CD2 3.6Å; F550-F554 HydrophobicContact CB-CE2 3.42Å; F550-F554 VanDerWaalsContact CB-CE2 3.42Å; F550-F554 HydrophobicContact CD2-CE2 4.48Å; F550-F554 HydrophobicContact CG-CE2 4.26Å; F550-F554 WeakPolarHBondContact O-CD2 3.34Å; F550-F554 PolarHBondContact O-N 2.95Å; A551-F554 PolarHBondContact O-N 3.41Å; F554-F558 AromaticContact CD1-CD2 3.74Å; F554-F558 HydrophobicContact CD1-CD2 3.74Å; F554-F558 AromaticContact CD1-CE2 3.53Å; F554-F558 HydrophobicContact CD1-CE2 3.53Å; F554-F558 HydrophobicContact CE1-CD2 4.48Å; F554-F558 AromaticContact CE1-CE2 3.86Å; F554-F558 HydrophobicContact CE1-CE2 3.86Å; F554-F558 PolarHBondContact O-N 3.02Å; F554-F679 HydrophobicContact CD1-CE1 4.4Å; F554-F679 HydrophobicContact CD1-CZ 4.34Å; F554-F679 HydrophobicContact CD2-CZ 4.48Å; F554-F679 HydrophobicContact CE1-CE1 4.19Å; F554-F679 HydrophobicContact CE1-CZ 4.02Å; F554-F679 HydrophobicContact CE2-CZ 4.18Å; F554-F679 HydrophobicContact CZ-CE1 4.5Å; F554-F679 AromaticContact CZ-CZ 3.9Å; F554-F679 HydrophobicContact CZ-CZ 3.9Å; F554-F733 HydrophobicContact CE1-CE1 4.43Å; F554-F733 HydrophobicContact CE1-CZ 4.42Å; F554-F733 HydrophobicContact CE2-CE1 4.39Å; F554-F733 AromaticContact CZ-CE1 3.66Å; F554-F733 HydrophobicContact CZ-CE1 3.66Å; F554-F733 HydrophobicContact CZ-CZ 4Å; F554-T737 HydrophobicContact CE1-CG2 3.88Å; F554-T737 HydrophobicContact CZ-CG2 4.45Å
555	Y	85.3	Confident	82.8	Confident	39 Å²	39	31.4 Å²	31.4	15%	0.153	16%	0.158	C	C	.	.	I	π-helix	trans	-60.7	-53.3	175.2	175.1	-96	0	0	0	111.8	V465 V469 A551 I553 A557 F559 K560	V465-Y555 HydrophobicContact CG1-CD2 4.41Å; V465-Y555 HydrophobicContact CG1-CG 4.08Å; V469-Y555 WeakPolarHBondContact CG1-OH 3.4Å; V469-Y555 HydrophobicContact CG2-CD1 4Å; V469-Y555 HydrophobicContact CG2-CD2 4.49Å; V469-Y555 HydrophobicContact CG2-CE1 3.37Å; V469-Y555 HydrophobicContact CG2-CE2 3.92Å; V469-Y555 WeakPolarHBondContact CG2-OH 3.44Å; A551-Y555 WeakPolarHBondContact O-CB 3.21Å; A551-Y555 PolarHBondContact O-N 3.46Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 3.37Å; Y555-A557 VanDerWaalsContact C-N 3.31Å; Y555-A557 PolarHBondContact O-N 3.03Å; Y555-F559 HydrophobicContact CD2-CB 3.83Å; Y555-F559 HydrophobicContact CE2-CB 4.07Å; Y555-F559 PolarHBondContact O-N 3.31Å; Y555-K560 HydrophobicContact CE1-CB 4.16Å; Y555-K560 PolarHBondContact O-N 3.03Å
556	V	82.5	Confident	82.4	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.018	17%	0.165	C	C	.	.	I	π-helix	trans	-64.9	-36.2	-179.1	173.9	0	0	0	0	111.7	P552 I553 E590 L591	P552-V556 WeakPolarHBondContact O-CG2 3.31Å; P552-V556 PolarHBondContact O-N 3.17Å; I553-V556 PolarHBondContact O-N 2.9Å; V556-E590 HydrophobicContact CG1-CB 4.42Å; V556-L591 HydrophobicContact CB-CD1 4.06Å; V556-L591 HydrophobicContact CG1-CB 4.13Å; V556-L591 HydrophobicContact CG1-CD1 4.03Å
557	A	85.4	Confident	81.8	Confident	10 Å²	10	33.4 Å²	33.4	8%	0.083	16%	0.164	C	C	.	.	I	π-helix	trans	-67.8	-55.7	176.9	0	0	0	0	0	111.8	I553 Y555 L591 T745	I553-A557 VanDerWaalsContact O-CB 3.29Å; I553-A557 WeakPolarHBondContact O-CB 3.38Å; I553-A557 PolarHBondContact O-N 3.34Å; Y555-A557 VanDerWaalsContact C-N 3.31Å; Y555-A557 PolarHBondContact O-N 3.03Å; A557-L591 HydrophobicContact CB-CD1 4.05Å; A557-L591 HydrophobicContact CB-CD2 4.05Å; A557-T745 HydrophobicContact CB-CG2 4.22Å; A557-T745 WeakPolarHBondContact O-CG2 3.31Å
558	F	85.5	Confident	81.4	Confident	38 Å²	38	32.7 Å²	32.7	17%	0.167	17%	0.166	C	C	.	.	I	π-helix	trans	-106.9	-24.1	-163.1	-60.4	-57.7	0	0	0	115.7	F554 R562 T737 F740 V741 T745	F554-F558 AromaticContact CD1-CD2 3.74Å; F554-F558 HydrophobicContact CD1-CD2 3.74Å; F554-F558 AromaticContact CD1-CE2 3.53Å; F554-F558 HydrophobicContact CD1-CE2 3.53Å; F554-F558 HydrophobicContact CE1-CD2 4.48Å; F554-F558 AromaticContact CE1-CE2 3.86Å; F554-F558 HydrophobicContact CE1-CE2 3.86Å; F554-F558 PolarHBondContact O-N 3.02Å; F558-R562 WeakPolarHBondContact O-CG 3.49Å; F558-T737 HydrophobicContact CE2-CG2 4.31Å; F558-T737 HydrophobicContact CZ-CG2 4.21Å; F558-F740 HydrophobicContact CD1-CB 4.45Å; F558-F740 HydrophobicContact CE1-CB 3.52Å; F558-F740 HydrophobicContact CZ-CB 3.78Å; F558-V741 HydrophobicContact CE1-CG2 4.19Å; F558-V741 HydrophobicContact CZ-CG2 3.8Å; F558-T745 HydrophobicContact CD1-CG2 4.1Å; F558-T745 HydrophobicContact CE1-CG2 4.06Å
559	F	83.5	Confident	81.2	Confident	107 Å²	107	37.2 Å²	37.2	47%	0.469	19%	0.191	S	C	.	.	I	π-helix	trans	-109.5	-33.6	-171.1	-65.2	-86.9	0	0	0	112.9	Y555 G561 R562 F563	Y555-F559 HydrophobicContact CD2-CB 3.83Å; Y555-F559 HydrophobicContact CE2-CB 4.07Å; Y555-F559 PolarHBondContact O-N 3.31Å; F559-G561 PolarHBondContact O-N 3.26Å; F559-R562 PolarHBondContact O-N 3.45Å; F559-F563 AromaticContact CD1-CE2 3.97Å; F559-F563 HydrophobicContact CD1-CE2 3.97Å
560	K	79.5	Confident	81	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.026	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	132.2	-179.9	-172.9	170.6	170.3	167.6	0	111.6	Y555 R562 E580 C582 E590	Y555-K560 HydrophobicContact CE1-CB 4.16Å; Y555-K560 PolarHBondContact O-N 3.03Å; K560-R562 PolarHBondContact O-N 3.18Å; K560-R562 VanDerWaalsContact O-N 3.12Å; K560-E580 VanDerWaalsContact CE-CD 3.41Å; K560-E580 WeakPolarHBondContact CE-OE1 3.16Å; K560-E580 IonicContact NZ-OE1 3.92Å; K560-E580 PolarHBondContact NZ-OE1 3.4Å; K560-E580 IonicContact NZ-OE2 3.56Å; K560-C582 PolarHBondContact O-SG 3.47Å; K560-E590 WeakPolarHBondContact CE-OE2 3.29Å; K560-E590 IonicContact NZ-OE1 3.07Å; K560-E590 IonicContact NZ-OE2 3.33Å; K560-E590 PolarHBondContact NZ-OE2 3.36Å
561	G	75.3	Confident	80.7	Confident	30 Å²	30	40.7 Å²	40.7	31%	0.309	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	-0.9	177.6	0	0	0	0	0	116.7	F559 E580	F559-G561 PolarHBondContact O-N 3.26Å; G561-E580 PolarHBondContact N-O 2.91Å
562	R	79.3	Confident	80.5	Confident	102 Å²	102	43.9 Å²	43.9	39%	0.385	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-32.6	-179.6	-75.1	-72.7	177.9	102.7	-9.9	114.4	F558 F559 K560 F744	F558-R562 WeakPolarHBondContact O-CG 3.49Å; F559-R562 PolarHBondContact O-N 3.45Å; K560-R562 PolarHBondContact O-N 3.18Å; K560-R562 VanDerWaalsContact O-N 3.12Å; R562-F744 PolarHBondContact NH2-O 2.96Å
563	F	79.2	Confident	79.9	Confident	128 Å²	128	44.7 Å²	44.7	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-110.9	22.9	-172.3	-58.7	-74.5	0	0	0	112.8	F559 G565 V571	F559-F563 AromaticContact CD1-CE2 3.97Å; F559-F563 HydrophobicContact CD1-CE2 3.97Å; F563-G565 VanDerWaalsContact C-N 3.28Å; F563-G565 PolarHBondContact O-N 3.5Å; F563-V571 WeakPolarHBondContact O-CB 3.17Å; F563-V571 WeakPolarHBondContact O-CG2 3.22Å
564	A	72.4	Confident	79.2	Confident	6 Å²	6	52.1 Å²	52.1	5%	0.05	26%	0.259	C	S	.	.			trans	-73.2	-15.2	-175.4	0	0	0	0	0	114.4	E581	A564-E581 HydrophobicContact CB-CG 3.57Å
565	G	77.4	Confident	78.4	Confident	25 Å²	25	52.5 Å²	52.5	26%	0.258	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.5	-149.7	-177.6	0	0	0	0	0	112.6	F563 Y800	F563-G565 VanDerWaalsContact C-N 3.28Å; F563-G565 PolarHBondContact O-N 3.5Å; G565-Y800 PolarHBondContact O-OH 3.41Å
566	R	77.8	Confident	77.6	Confident	81 Å²	81	57 Å²	57	31%	0.306	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	164.6	-174.9	67.7	171.9	-179.5	119.5	0.4	113	G568 D569 R799 Y800	R566-G568 PolarHBondContact O-N 2.99Å; R566-D569 HydrophobicContact CG-CB 4.01Å; R566-D569 PolarHBondContact N-O 3.4Å; R566-D569 CarbonylContact O-C 3.37Å; R566-D569 PolarHBondContact O-N 3.48Å; R566-R799 PolarHBondContact O-NH2 3.01Å; R566-Y800 WeakPolarHBondContact CA-OH 3.45Å
567	P	74.1	Confident	76.9	Confident	7 Å²	7	61.6 Å²	61.6	5%	0.045	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	127.2	164.4	-7.4	16.7	0	0	0	111.1	F775 F780 R799 Y800	P567-F775 HydrophobicContact CB-CB 4.45Å; P567-F775 HydrophobicContact CB-CD1 3.49Å; P567-F775 VanDerWaalsContact CB-CD1 3.49Å; P567-F775 HydrophobicContact CB-CD2 3.53Å; P567-F775 HydrophobicContact CB-CE1 3.42Å; P567-F775 VanDerWaalsContact CB-CE1 3.42Å; P567-F775 HydrophobicContact CB-CE2 3.49Å; P567-F775 VanDerWaalsContact CB-CE2 3.49Å; P567-F775 HydrophobicContact CB-CG 3.53Å; P567-F775 HydrophobicContact CB-CZ 3.42Å; P567-F775 VanDerWaalsContact CB-CZ 3.42Å; P567-F775 HydrophobicContact CG-CB 4.16Å; P567-F775 HydrophobicContact CG-CD1 4.06Å; P567-F775 HydrophobicContact CG-CD2 3.9Å; P567-F775 HydrophobicContact CG-CE1 4.45Å; P567-F775 HydrophobicContact CG-CE2 4.34Å; P567-F775 HydrophobicContact CG-CG 3.75Å; P567-F775 VanDerWaalsContact O-CE2 3.32Å; P567-F775 WeakPolarHBondContact O-CE2 3.33Å; P567-F780 HydrophobicContact CB-CE1 4.24Å; P567-R799 HydrophobicContact CG-CB 3.63Å; P567-R799 VanDerWaalsContact CG-CD 3.49Å; P567-R799 HydrophobicContact CG-CG 3.59Å; P567-R799 VanDerWaalsContact CG-CZ 3.4Å; P567-R799 VanDerWaalsContact N-CZ 3.3Å; P567-Y800 HydrophobicContact CG-CE1 4.28Å
568	G	74.1	Confident	76.4	Confident	24 Å²	24	62.1 Å²	62.1	25%	0.247	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	-32.5	-167.8	0	0	0	0	0	113.7	R566	R566-G568 PolarHBondContact O-N 2.99Å
569	D	80.3	Confident	75.8	Confident	101 Å²	101	62.1 Å²	62.1	54%	0.54	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	88.6	-169.7	-171.6	20.1	0	0	0	110.6	R566	R566-D569 HydrophobicContact CG-CB 4.01Å; R566-D569 PolarHBondContact N-O 3.4Å; R566-D569 CarbonylContact O-C 3.37Å; R566-D569 PolarHBondContact O-N 3.48Å
570	Y	79.3	Confident	75.1	Confident	10 Å²	10	58.2 Å²	58.2	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.9	178.4	-64.4	-82	0	0	0	111.4	Y572 R578 R799	Y570-Y572 HydrophobicContact CD2-CE2 4.46Å; Y570-Y572 VanDerWaalsContact O-CD2 3.29Å; Y570-Y572 WeakPolarHBondContact O-CD2 3.48Å; Y570-Y572 PolarHBondContact O-N 3.05Å; Y570-R578 HydrophobicContact CD1-CG 4.14Å; Y570-R578 HydrophobicContact CE1-CG 4.48Å; Y570-R578 VanDerWaalsContact CE1-NH2 3.29Å; Y570-R578 HydrophobicContact CG-CG 4.46Å; Y570-R578 VanDerWaalsContact OH-CZ 3.24Å; Y570-R578 PolarHBondContact OH-NH1 3.38Å; Y570-R578 PolarHBondContact OH-NH2 3.41Å; Y570-R799 VanDerWaalsContact OH-CZ 3.28Å; Y570-R799 PolarHBondContact OH-NH1 2.84Å
571	V	81.8	Confident	74.8	Confident	75 Å²	75	59.5 Å²	59.5	46%	0.455	31%	0.31	S	S	.	.			trans	-83.2	111.1	168.5	-176.4	0	0	0	0	108.8	F563 M579	F563-V571 WeakPolarHBondContact O-CB 3.17Å; F563-V571 WeakPolarHBondContact O-CG2 3.22Å; V571-M579 HydrophobicContact CB-CG 4.48Å; V571-M579 HydrophobicContact CG1-CG 4.38Å; V571-M579 PolarHBondContact O-N 3.37Å
572	Y	79.8	Confident	74.7	Confident	78 Å²	78	60 Å²	60	31%	0.306	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.6	175.9	-67.5	-85.9	0	0	0	111	D337 Y570 Y577 R578	D337-Y572 WeakPolarHBondContact OD2-CE1 3.3Å; D337-Y572 PolarHBondContact OD2-OH 3.25Å; Y570-Y572 HydrophobicContact CD2-CE2 4.46Å; Y570-Y572 VanDerWaalsContact O-CD2 3.29Å; Y570-Y572 WeakPolarHBondContact O-CD2 3.48Å; Y570-Y572 PolarHBondContact O-N 3.05Å; Y572-Y577 CarbonylContact C-O 3.47Å; Y572-Y577 WeakPolarHBondContact CA-O 3.13Å; Y572-R578 HydrophobicContact CD1-CB 4.45Å; Y572-R578 HydrophobicContact CE1-CB 4.22Å
573	V	72.3	Confident	74.2	Confident	23 Å²	23	55.7 Å²	55.7	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.6	171	-167.6	0	0	0	0	108.3	F466 G575 Y577 M579	F466-V573 HydrophobicContact CE2-CG1 4.23Å; F466-V573 HydrophobicContact CZ-CG1 3.73Å; V573-G575 PolarHBondContact O-N 3.15Å; V573-G575 VanDerWaalsContact O-N 3.1Å; V573-Y577 PolarHBondContact N-O 2.78Å; V573-Y577 PolarHBondContact O-N 3.45Å; V573-M579 HydrophobicContact CG2-CG 3.61Å; V573-M579 HydrophobicContact CG2-SD 3.12Å; V573-M579 WeakPolarHBondContact CG2-SD 3.24Å
574	F	71.5	Confident	73.4	Confident	156 Å²	156	50.7 Å²	50.7	68%	0.684	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	23.8	-175.4	-56.4	-68.8	0	0	0	114.5	F466 D576	F466-F574 AromaticContact CE1-CE2 3.72Å; F466-F574 HydrophobicContact CE1-CE2 3.72Å; F466-F574 AromaticContact CE1-CZ 3.94Å; F466-F574 HydrophobicContact CE1-CZ 3.94Å; F466-F574 AromaticContact CZ-CE2 3.78Å; F466-F574 HydrophobicContact CZ-CE2 3.78Å; F466-F574 HydrophobicContact CZ-CZ 4.14Å; F574-D576 PolarHBondContact O-N 3.4Å
575	G	69.9	Low	72.9	Confident	54 Å²	54	50.9 Å²	50.9	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-29.6	176.5	0	0	0	0	0	115.6	V573	V573-G575 PolarHBondContact O-N 3.15Å; V573-G575 VanDerWaalsContact O-N 3.1Å
576	D	68.2	Low	72.5	Confident	132 Å²	132	50.4 Å²	50.4	71%	0.706	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-19	-169.1	-62.2	-34.9	0	0	0	114.6	F574	F574-D576 PolarHBondContact O-N 3.4Å
577	Y	68	Low	72.5	Confident	100 Å²	100	47.1 Å²	47.1	39%	0.392	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.1	-170.8	-62.5	-79.2	0	0	0	112.3	I473 Y572 V573	I473-Y577 HydrophobicContact CG2-CD1 4.08Å; I473-Y577 HydrophobicContact CG2-CG 4.38Å; Y572-Y577 CarbonylContact C-O 3.47Å; Y572-Y577 WeakPolarHBondContact CA-O 3.13Å; V573-Y577 PolarHBondContact N-O 2.78Å; V573-Y577 PolarHBondContact O-N 3.45Å
578	R	75.1	Confident	72.8	Confident	22 Å²	22	47 Å²	47	8%	0.083	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.4	176.5	176.2	175.5	163.8	-173.1	-2.9	111.5	P334 L335 D337 Y570 Y572 E581	P334-R578 PolarHBondContact O-NH1 3.33Å; P334-R578 PolarHBondContact O-NH2 2.87Å; L335-R578 VanDerWaalsContact C-NH1 3.31Å; L335-R578 PolarHBondContact O-NH1 3.11Å; D337-R578 IonicContact OD1-NH1 3.61Å; D337-R578 PolarHBondContact OD1-NH1 3.23Å; Y570-R578 HydrophobicContact CD1-CG 4.14Å; Y570-R578 HydrophobicContact CE1-CG 4.48Å; Y570-R578 VanDerWaalsContact CE1-NH2 3.29Å; Y570-R578 HydrophobicContact CG-CG 4.46Å; Y570-R578 VanDerWaalsContact OH-CZ 3.24Å; Y570-R578 PolarHBondContact OH-NH1 3.38Å; Y570-R578 PolarHBondContact OH-NH2 3.41Å; Y572-R578 HydrophobicContact CD1-CB 4.45Å; Y572-R578 HydrophobicContact CE1-CB 4.22Å; R578-E581 IonicContact CZ-OE1 2.72Å; R578-E581 IonicContact NE-OE1 3.59Å; R578-E581 PolarHBondContact NE-OE1 2.84Å; R578-E581 IonicContact NH2-OE1 3.36Å; R578-E581 PolarHBondContact NH2-OE1 2.82Å; R578-E581 IonicContact NH2-OE2 3.43Å; R578-E581 PolarHBondContact NH2-OE2 3.24Å; R578-E581 VanDerWaalsContact NH2-OE2 3.07Å
579	M	73	Confident	73	Confident	37 Å²	37	46.4 Å²	46.4	18%	0.182	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.6	174.1	-78.6	-67.9	-79.8	0	0	112.9	V571 V573	V571-M579 HydrophobicContact CB-CG 4.48Å; V571-M579 HydrophobicContact CG1-CG 4.38Å; V571-M579 PolarHBondContact O-N 3.37Å; V573-M579 HydrophobicContact CG2-CG 3.61Å; V573-M579 HydrophobicContact CG2-SD 3.12Å; V573-M579 WeakPolarHBondContact CG2-SD 3.24Å
580	E	69.9	Low	72.9	Confident	25 Å²	25	42.6 Å²	42.6	12%	0.117	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-68.3	134.9	-177.3	-164.1	-176.6	-175.7	0	0	112.6	K560 G561	K560-E580 VanDerWaalsContact CE-CD 3.41Å; K560-E580 WeakPolarHBondContact CE-OE1 3.16Å; K560-E580 IonicContact NZ-OE1 3.92Å; K560-E580 PolarHBondContact NZ-OE1 3.4Å; K560-E580 IonicContact NZ-OE2 3.56Å; G561-E580 PolarHBondContact N-O 2.91Å
581	E	72.1	Confident	73	Confident	33 Å²	33	42.1 Å²	42.1	15%	0.154	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-101.4	154.4	178.1	-71.9	173.6	-172.7	0	0	111.8	A564 R578 R799	A564-E581 HydrophobicContact CB-CG 3.57Å; R578-E581 IonicContact CZ-OE1 2.72Å; R578-E581 IonicContact NE-OE1 3.59Å; R578-E581 PolarHBondContact NE-OE1 2.84Å; R578-E581 IonicContact NH2-OE1 3.36Å; R578-E581 PolarHBondContact NH2-OE1 2.82Å; R578-E581 IonicContact NH2-OE2 3.43Å; R578-E581 PolarHBondContact NH2-OE2 3.24Å; R578-E581 VanDerWaalsContact NH2-OE2 3.07Å; E581-R799 IonicContact OE1-NE 3.41Å; E581-R799 IonicContact OE1-NH2 3.36Å
582	C	74.3	Confident	73.1	Confident	41 Å²	41	38.7 Å²	38.7	28%	0.277	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-81.3	151.7	170	-69.2	0	0	0	0	110.9	K560 C587	K560-C582 PolarHBondContact O-SG 3.47Å; C582-C587 VanDerWaalsContact CA-SG 3.53Å; C582-C587 HydrophobicContact CB-CB 4.1Å; C582-C587 WeakPolarHBondContact CB-SG 3.13Å; C582-C587 WeakPolarHBondContact SG-CB 3.11Å; C582-C587 CovalentContact SG-SG 2.03Å; C582-C587 PolarHBondContact SG-SG 2.78Å
583	A	67.5	Low	73.2	Confident	11 Å²	11	38.2 Å²	38.2	9%	0.091	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.8	153.2	165.8	0	0	0	0	0	111	L351 P585 G586	L351-A583 HydrophobicContact CD2-CB 3.56Å; A583-P585 VanDerWaalsContact C-CD 3.45Å; A583-G586 WeakPolarHBondContact O-CA 3.49Å; A583-G586 PolarHBondContact O-N 2.82Å
584	P	62.9	Low	73.6	Confident	23 Å²	23	37.2 Å²	37.2	15%	0.149	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.7	-177.6	-24.5	32.2	0	0	0	116.6	M332 W343 L345 G586 K801	M332-P584 HydrophobicContact CE-CG 4.05Å; W343-P584 HydrophobicContact CH2-CG 3.36Å; W343-P584 HydrophobicContact CZ2-CG 4.04Å; W343-P584 HydrophobicContact CZ3-CG 4.31Å; L345-P584 HydrophobicContact CD1-CB 4.21Å; L345-P584 HydrophobicContact CD1-CG 4.3Å; P584-G586 PolarHBondContact O-N 3.49Å; P584-K801 WeakPolarHBondContact O-CD 3.22Å; P584-K801 WeakPolarHBondContact O-CE 3.43Å; P584-K801 PolarHBondContact O-NZ 3.49Å
585	P	61.5	Low	74.2	Confident	11 Å²	11	29.8 Å²	29.8	7%	0.071	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	4.9	175	31.4	-35.2	0	0	0	113.8	V348 L351 A352 S355 A583	V348-P585 HydrophobicContact CG1-CG 3.94Å; L351-P585 HydrophobicContact CB-CG 4.18Å; L351-P585 HydrophobicContact CD2-CG 3.77Å; L351-P585 HydrophobicContact CG-CG 3.82Å; A352-P585 HydrophobicContact CB-CB 4.06Å; A352-P585 HydrophobicContact CB-CG 4.44Å; S355-P585 PolarHBondContact OG-O 3.14Å; S355-P585 VanDerWaalsContact OG-O 3.08Å; A583-P585 VanDerWaalsContact C-CD 3.45Å
586	G	70.3	Confident	74.7	Confident	15 Å²	15	28.3 Å²	28.3	16%	0.155	15%	0.151	C	C	.	.			trans	106.6	169.2	176.2	0	0	0	0	0	114.4	A583 P584 L588	A583-G586 WeakPolarHBondContact O-CA 3.49Å; A583-G586 PolarHBondContact O-N 2.82Å; P584-G586 PolarHBondContact O-N 3.49Å; G586-L588 VanDerWaalsContact C-N 3.31Å
587	C	77.9	Confident	75.2	Confident	12 Å²	12	25.8 Å²	25.8	8%	0.081	14%	0.136	C	C	.	.	S	Bend	trans	-86	1.8	173.2	-85.9	0	0	0	0	113.5	C582 I589 E590 L591	C582-C587 VanDerWaalsContact CA-SG 3.53Å; C582-C587 HydrophobicContact CB-CB 4.1Å; C582-C587 WeakPolarHBondContact CB-SG 3.13Å; C582-C587 WeakPolarHBondContact SG-CB 3.11Å; C582-C587 CovalentContact SG-SG 2.03Å; C582-C587 PolarHBondContact SG-SG 2.78Å; C587-I589 PolarHBondContact O-N 3.2Å; C587-E590 PolarHBondContact O-N 2.74Å; C587-L591 PolarHBondContact O-N 3.39Å
588	L	78.8	Confident	75.6	Confident	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-38.9	-173.2	-167.1	149.5	0	0	0	112.2	F358 D359 G586 L591 C592	F358-L588 HydrophobicContact CB-CD2 3.92Å; D359-L588 HydrophobicContact CB-CD1 4.27Å; G586-L588 VanDerWaalsContact C-N 3.31Å; L588-L591 VanDerWaalsContact O-CB 3.28Å; L588-L591 WeakPolarHBondContact O-CB 3.31Å; L588-L591 PolarHBondContact O-N 2.54Å; L588-C592 PolarHBondContact O-N 3.02Å; L588-C592 PolarHBondContact O-SG 2.98Å
589	I	79.4	Confident	75.7	Confident	11 Å²	11	20.5 Å²	20.5	6%	0.056	12%	0.116	C	C	.	.	H	α-helix	trans	-68.1	-40.6	177.4	-64.7	166.4	0	0	0	111.7	L351 A354 S355 C587 L591 C592 I593	L351-I589 HydrophobicContact CD1-CB 4.17Å; L351-I589 HydrophobicContact CD1-CD1 3.38Å; L351-I589 HydrophobicContact CD1-CG1 4.44Å; L351-I589 HydrophobicContact CD1-CG2 3.92Å; L351-I589 HydrophobicContact CG-CD1 3.7Å; L351-I589 WeakPolarHBondContact O-CD1 3.46Å; A354-I589 HydrophobicContact CB-CD1 3.91Å; S355-I589 VanDerWaalsContact N-CD1 3.31Å; C587-I589 PolarHBondContact O-N 3.2Å; I589-L591 PolarHBondContact O-N 2.76Å; I589-C592 WeakPolarHBondContact O-CB 3.41Å; I589-C592 PolarHBondContact O-N 3.47Å; I589-C592 VanDerWaalsContact O-N 3.12Å; I589-I593 HydrophobicContact CG2-CD1 3.77Å; I589-I593 HydrophobicContact CG2-CG1 4.21Å; I589-I593 WeakPolarHBondContact O-CG1 3.49Å; I589-I593 PolarHBondContact O-N 2.76Å
590	E	77.8	Confident	75.7	Confident	21 Å²	21	21.1 Å²	21.1	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-40	176.4	-64	-179.5	-171.5	0	0	110.4	T496 V556 K560 C587 I593 Q594	T496-E590 HydrophobicContact CG2-CG 4.35Å; V556-E590 HydrophobicContact CG1-CB 4.42Å; K560-E590 WeakPolarHBondContact CE-OE2 3.29Å; K560-E590 IonicContact NZ-OE1 3.07Å; K560-E590 IonicContact NZ-OE2 3.33Å; K560-E590 PolarHBondContact NZ-OE2 3.36Å; C587-E590 PolarHBondContact O-N 2.74Å; E590-I593 PolarHBondContact O-N 3.13Å; E590-Q594 VanDerWaalsContact O-CB 3.28Å; E590-Q594 WeakPolarHBondContact O-CB 3.18Å; E590-Q594 PolarHBondContact O-N 3.22Å
591	L	81.4	Confident	75.8	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-47	171.6	-169.6	72.8	0	0	0	111.7	I553 V556 A557 C587 L588 I589 I593 Q594 L595	I553-L591 HydrophobicContact CB-CD1 4.34Å; I553-L591 HydrophobicContact CG2-CD1 3.43Å; I553-L591 VanDerWaalsContact CG2-CD1 3.43Å; I553-L591 HydrophobicContact CG2-CG 4.33Å; I553-L591 WeakPolarHBondContact O-CD1 3.38Å; V556-L591 HydrophobicContact CB-CD1 4.06Å; V556-L591 HydrophobicContact CG1-CB 4.13Å; V556-L591 HydrophobicContact CG1-CD1 4.03Å; A557-L591 HydrophobicContact CB-CD1 4.05Å; A557-L591 HydrophobicContact CB-CD2 4.05Å; C587-L591 PolarHBondContact O-N 3.39Å; L588-L591 VanDerWaalsContact O-CB 3.28Å; L588-L591 WeakPolarHBondContact O-CB 3.31Å; L588-L591 PolarHBondContact O-N 2.54Å; I589-L591 PolarHBondContact O-N 2.76Å; L591-I593 PolarHBondContact O-N 3.38Å; L591-Q594 PolarHBondContact O-N 3.04Å; L591-L595 VanDerWaalsContact O-CB 3.31Å; L591-L595 WeakPolarHBondContact O-CB 3.41Å; L591-L595 PolarHBondContact O-N 3.01Å
592	C	83.4	Confident	75.5	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-60.8	-44.4	177.8	-64.5	0	0	0	0	112.3	L588 I589 L595 S596 S682 F683	L588-C592 PolarHBondContact O-N 3.02Å; L588-C592 PolarHBondContact O-SG 2.98Å; I589-C592 WeakPolarHBondContact O-CB 3.41Å; I589-C592 PolarHBondContact O-N 3.47Å; I589-C592 VanDerWaalsContact O-N 3.12Å; C592-L595 PolarHBondContact O-N 3.5Å; C592-S596 VanDerWaalsContact O-CB 3.26Å; C592-S596 WeakPolarHBondContact O-CB 3.34Å; C592-S596 PolarHBondContact O-N 3.18Å; C592-S596 PolarHBondContact O-OG 2.82Å; C592-S682 PolarHBondContact SG-O 3.27Å; C592-F683 HydrophobicContact CB-CD2 4.38Å
593	I	81.8	Confident	75	Confident	67 Å²	67	18.7 Å²	18.7	34%	0.344	11%	0.106	S	C	.	.	H	α-helix	trans	-65.2	-45.1	178.7	-65.6	168.4	0	0	0	109.5	I500 I589 E590 L591 S596 M597	I500-I593 HydrophobicContact CD1-CB 4.4Å; I500-I593 HydrophobicContact CD1-CG2 3.82Å; I589-I593 HydrophobicContact CG2-CD1 3.77Å; I589-I593 HydrophobicContact CG2-CG1 4.21Å; I589-I593 WeakPolarHBondContact O-CG1 3.49Å; I589-I593 PolarHBondContact O-N 2.76Å; E590-I593 PolarHBondContact O-N 3.13Å; L591-I593 PolarHBondContact O-N 3.38Å; I593-S596 PolarHBondContact O-N 3.12Å; I593-M597 HydrophobicContact CG2-CG 4.31Å; I593-M597 WeakPolarHBondContact O-CB 3.46Å; I593-M597 VanDerWaalsContact O-CG 3.31Å; I593-M597 WeakPolarHBondContact O-CG 3.34Å; I593-M597 PolarHBondContact O-N 2.79Å
594	Q	81	Confident	74.8	Confident	3 Å²	3	22.2 Å²	22.2	1%	0.014	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.4	-178	172.6	-28.7	0	0	111.9	I500 P552 E590 L591 M597 I598	I500-Q594 HydrophobicContact CG1-CB 4.49Å; P552-Q594 VanDerWaalsContact C-NE2 3.32Å; P552-Q594 PolarHBondContact O-NE2 3.48Å; E590-Q594 VanDerWaalsContact O-CB 3.28Å; E590-Q594 WeakPolarHBondContact O-CB 3.18Å; E590-Q594 PolarHBondContact O-N 3.22Å; L591-Q594 PolarHBondContact O-N 3.04Å; Q594-M597 PolarHBondContact O-N 3.38Å; Q594-I598 HydrophobicContact CG-CD1 3.83Å; Q594-I598 WeakPolarHBondContact O-CB 3.16Å; Q594-I598 VanDerWaalsContact O-CG1 3.28Å; Q594-I598 WeakPolarHBondContact O-CG1 3.16Å; Q594-I598 PolarHBondContact O-N 3.45Å
595	L	83.6	Confident	74.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-42	176.5	-174.7	144.5	0	0	0	111.4	L591 C592 I598 M599 F679 F683	L591-L595 VanDerWaalsContact O-CB 3.31Å; L591-L595 WeakPolarHBondContact O-CB 3.41Å; L591-L595 PolarHBondContact O-N 3.01Å; C592-L595 PolarHBondContact O-N 3.5Å; L595-I598 PolarHBondContact O-N 3.49Å; L595-M599 HydrophobicContact CD2-CE 4.19Å; L595-M599 WeakPolarHBondContact O-CB 3.49Å; L595-M599 PolarHBondContact O-N 2.69Å; L595-F679 HydrophobicContact CD1-CB 3.46Å; L595-F679 VanDerWaalsContact CD1-CB 3.46Å; L595-F679 HydrophobicContact CD1-CD2 4.01Å; L595-F679 HydrophobicContact CD1-CG 3.95Å; L595-F683 HydrophobicContact CD2-CB 4.33Å; L595-F683 HydrophobicContact CD2-CD1 3.56Å; L595-F683 HydrophobicContact CD2-CE1 4.3Å; L595-F683 HydrophobicContact CD2-CG 4.25Å
596	S	81.4	Confident	74.6	Confident	23 Å²	23	26.6 Å²	26.6	16%	0.161	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-43.5	176	-59.8	0	0	0	0	111.3	C592 I593 L600	C592-S596 VanDerWaalsContact O-CB 3.26Å; C592-S596 WeakPolarHBondContact O-CB 3.34Å; C592-S596 PolarHBondContact O-N 3.18Å; C592-S596 PolarHBondContact O-OG 2.82Å; I593-S596 PolarHBondContact O-N 3.12Å; S596-L600 WeakPolarHBondContact O-CB 3.39Å; S596-L600 VanDerWaalsContact O-CG 3.24Å; S596-L600 WeakPolarHBondContact O-CG 3.35Å; S596-L600 PolarHBondContact O-N 2.88Å
597	M	78	Confident	74.1	Confident	78 Å²	78	26 Å²	26	38%	0.384	14%	0.136	S	C	.	.	H	α-helix	trans	-67.7	-37.5	177.9	-77.3	-63.6	-62.4	0	0	112.7	I500 I593 Q594 G601	I500-M597 HydrophobicContact CG2-CB 3.95Å; I500-M597 HydrophobicContact CG2-CG 4.06Å; I593-M597 HydrophobicContact CG2-CG 4.31Å; I593-M597 WeakPolarHBondContact O-CB 3.46Å; I593-M597 VanDerWaalsContact O-CG 3.31Å; I593-M597 WeakPolarHBondContact O-CG 3.34Å; I593-M597 PolarHBondContact O-N 2.79Å; Q594-M597 PolarHBondContact O-N 3.38Å; M597-G601 WeakPolarHBondContact O-CA 3.34Å; M597-G601 PolarHBondContact O-N 3.3Å
598	I	76.5	Confident	73.4	Confident	9 Å²	9	28 Å²	28	5%	0.046	15%	0.146	C	C	.	.	H	α-helix	trans	-72.1	-45.7	176.5	-68.4	167.1	0	0	0	110.2	I553 Q594 L595 K602 F675	I553-I598 HydrophobicContact CD1-CD1 4.21Å; I553-I598 HydrophobicContact CG1-CD1 4.24Å; Q594-I598 HydrophobicContact CG-CD1 3.83Å; Q594-I598 WeakPolarHBondContact O-CB 3.16Å; Q594-I598 VanDerWaalsContact O-CG1 3.28Å; Q594-I598 WeakPolarHBondContact O-CG1 3.16Å; Q594-I598 PolarHBondContact O-N 3.45Å; L595-I598 PolarHBondContact O-N 3.49Å; I598-K602 WeakPolarHBondContact O-CB 3.31Å; I598-K602 PolarHBondContact O-N 3.18Å; I598-F675 HydrophobicContact CG2-CE1 4.32Å; I598-F675 HydrophobicContact CG2-CE2 4.21Å; I598-F675 HydrophobicContact CG2-CZ 3.71Å
599	M	76.4	Confident	72.7	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-70.3	-44.2	-178.2	-172.2	176.8	58.8	0	0	112.4	L595 Q603 F683 F689	L595-M599 HydrophobicContact CD2-CE 4.19Å; L595-M599 WeakPolarHBondContact O-CB 3.49Å; L595-M599 PolarHBondContact O-N 2.69Å; M599-Q603 PolarHBondContact O-N 3.46Å; M599-Q603 PolarHBondContact O-OE1 2.81Å; M599-F683 HydrophobicContact CE-CE1 4.03Å; M599-F689 HydrophobicContact CE-CB 3.47Å; M599-F689 VanDerWaalsContact CE-CB 3.47Å; M599-F689 HydrophobicContact CE-CD2 3.56Å; M599-F689 HydrophobicContact CE-CG 4.02Å; M599-F689 HydrophobicContact SD-CB 4.42Å
600	L	74.8	Confident	72	Confident	50 Å²	50	35.3 Å²	35.3	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-76	-41.3	175.2	-64.5	171.3	0	0	0	111.3	S596 L604 F689	S596-L600 WeakPolarHBondContact O-CB 3.39Å; S596-L600 VanDerWaalsContact O-CG 3.24Å; S596-L600 WeakPolarHBondContact O-CG 3.35Å; S596-L600 PolarHBondContact O-N 2.88Å; L600-L604 HydrophobicContact CB-CD1 4.13Å; L600-L604 WeakPolarHBondContact O-CB 3.38Å; L600-L604 WeakPolarHBondContact O-CD1 3.28Å; L600-L604 VanDerWaalsContact O-CG 3.27Å; L600-L604 WeakPolarHBondContact O-CG 3.46Å; L600-L604 PolarHBondContact O-N 3.23Å; L600-F689 HydrophobicContact CD1-CD2 4.47Å; L600-F689 HydrophobicContact CD1-CE2 4.23Å; L600-F689 HydrophobicContact CD2-CB 4.41Å; L600-F689 HydrophobicContact CD2-CD2 4.26Å; L600-F689 HydrophobicContact CD2-CG 4.2Å; L600-F689 HydrophobicContact CG-CD2 4.43Å
601	G	70.3	Confident	71.4	Confident	8 Å²	8	36 Å²	36	8%	0.082	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-44	-176.4	0	0	0	0	0	112.4	M597 I605	M597-G601 WeakPolarHBondContact O-CA 3.34Å; M597-G601 PolarHBondContact O-N 3.3Å; G601-I605 WeakPolarHBondContact O-CA 3.38Å; G601-I605 WeakPolarHBondContact O-CB 3.43Å; G601-I605 VanDerWaalsContact O-CG1 3.3Å; G601-I605 WeakPolarHBondContact O-CG1 3.2Å; G601-I605 PolarHBondContact O-N 2.81Å
602	K	67.1	Low	70.7	Confident	25 Å²	25	38 Å²	38	11%	0.109	20%	0.196	C	C	.	.	I	π-helix	trans	-62.5	-53.4	174.8	-174.4	167.2	175	151.4	0	110.9	E511 I598 L604 Q606	E511-K602 IonicContact OE1-NZ 2.65Å; E511-K602 PolarHBondContact OE1-NZ 3Å; E511-K602 IonicContact OE2-NZ 2.89Å; E511-K602 PolarHBondContact OE2-NZ 3.48Å; I598-K602 WeakPolarHBondContact O-CB 3.31Å; I598-K602 PolarHBondContact O-N 3.18Å; K602-L604 PolarHBondContact O-N 3.18Å; K602-Q606 HydrophobicContact CG-CB 4.49Å; K602-Q606 WeakPolarHBondContact O-CA 3.48Å; K602-Q606 WeakPolarHBondContact O-CB 3.27Å; K602-Q606 PolarHBondContact O-N 2.81Å
603	Q	63.8	Low	69.9	Low	15 Å²	15	42.1 Å²	42.1	7%	0.07	22%	0.217	C	C	.	.	I	π-helix	trans	-68	-36.3	-178.1	-106.1	113.3	27.4	0	0	114.4	M599 N607 E668 N693	M599-Q603 PolarHBondContact O-N 3.46Å; M599-Q603 PolarHBondContact O-OE1 2.81Å; Q603-N607 WeakPolarHBondContact O-CB 3.29Å; Q603-E668 PolarHBondContact NE2-OE1 3.25Å; Q603-N693 HydrophobicContact CB-CB 4.47Å; Q603-N693 WeakPolarHBondContact CB-ND2 3.26Å; Q603-N693 HydrophobicContact CG-CB 3.94Å; Q603-N693 PolarHBondContact OE1-ND2 3.49Å
604	L	63.3	Low	69.4	Low	86 Å²	86	43.1 Å²	43.1	45%	0.45	22%	0.222	S	C	.	.	I	π-helix	trans	-80.4	-38.7	179.8	-70.4	165.2	0	0	0	112.9	L600 K602 N608	L600-L604 HydrophobicContact CB-CD1 4.13Å; L600-L604 WeakPolarHBondContact O-CB 3.38Å; L600-L604 WeakPolarHBondContact O-CD1 3.28Å; L600-L604 VanDerWaalsContact O-CG 3.27Å; L600-L604 WeakPolarHBondContact O-CG 3.46Å; L600-L604 PolarHBondContact O-N 3.23Å; K602-L604 PolarHBondContact O-N 3.18Å; L604-N608 WeakPolarHBondContact O-CB 3.37Å
605	I	61.2	Low	68.8	Low	83 Å²	83	44 Å²	44	43%	0.426	23%	0.228	S	C	.	.	I	π-helix	trans	-89.1	-43.9	-174.7	-56.3	169.4	0	0	0	110.1	M504 G601 V609	M504-I605 HydrophobicContact CE-CD1 3.86Å; G601-I605 WeakPolarHBondContact O-CA 3.38Å; G601-I605 WeakPolarHBondContact O-CB 3.43Å; G601-I605 VanDerWaalsContact O-CG1 3.3Å; G601-I605 WeakPolarHBondContact O-CG1 3.2Å; G601-I605 PolarHBondContact O-N 2.81Å; I605-V609 WeakPolarHBondContact O-CB 3.08Å; I605-V609 PolarHBondContact O-N 3.21Å
606	Q	58.1	Low	68.3	Low	42 Å²	42	49.6 Å²	49.6	20%	0.196	25%	0.252	C	S	.	.	I	π-helix	trans	-78.3	-51.4	-177.6	-167.2	162.3	2.4	0	0	111.7	L508 K602 F610 E611	L508-Q606 VanDerWaalsContact CD2-OE1 3.26Å; K602-Q606 HydrophobicContact CG-CB 4.49Å; K602-Q606 WeakPolarHBondContact O-CA 3.48Å; K602-Q606 WeakPolarHBondContact O-CB 3.27Å; K602-Q606 PolarHBondContact O-N 2.81Å; Q606-F610 HydrophobicContact CB-CD2 4.29Å; Q606-F610 HydrophobicContact CG-CD2 4.07Å; Q606-F610 WeakPolarHBondContact O-CA 3.38Å; Q606-F610 VanDerWaalsContact O-CB 3.24Å; Q606-F610 WeakPolarHBondContact O-CB 3.35Å; Q606-F610 PolarHBondContact O-N 3.06Å; Q606-E611 PolarHBondContact O-N 3.48Å
607	N	60.5	Low	67.8	Low	4 Å²	4	53 Å²	53	2%	0.021	27%	0.267	C	S	.	.	I	π-helix	trans	-73.5	-54.5	-175	-58.1	13.6	0	0	0	111.5	Q603 V609 E611 E668 E697 L700	Q603-N607 WeakPolarHBondContact O-CB 3.29Å; N607-V609 PolarHBondContact O-N 3.26Å; N607-E611 WeakPolarHBondContact O-CB 3.35Å; N607-E611 PolarHBondContact O-N 2.85Å; N607-E668 PolarHBondContact ND2-OE1 3.46Å; N607-E668 PolarHBondContact ND2-OE2 2.89Å; N607-E668 PolarHBondContact OD1-OE1 3.39Å; N607-E668 PolarHBondContact OD1-OE2 3.43Å; N607-E697 PolarHBondContact ND2-OE1 2.78Å; N607-E697 PolarHBondContact ND2-OE2 2.78Å; N607-L700 HydrophobicContact CB-CD1 4.47Å
608	N	61.9	Low	67.6	Low	54 Å²	54	53.4 Å²	53.4	29%	0.289	27%	0.267	S	S	.	.	I	π-helix	trans	-69	-35.3	-177.2	-69.2	-44.4	0	0	0	113.8	L604 I612 L700	L604-N608 WeakPolarHBondContact O-CB 3.37Å; N608-I612 WeakPolarHBondContact O-CB 3.24Å; N608-L700 WeakPolarHBondContact OD1-CD1 3.36Å
609	V	64.4	Low	67.5	Low	62 Å²	62	59 Å²	59	38%	0.376	29%	0.291	S	S	.	.	I	π-helix	trans	-90.2	-60.1	-178.7	-167.8	0	0	0	0	110.2	I605 N607 E611 L613	I605-V609 WeakPolarHBondContact O-CB 3.08Å; I605-V609 PolarHBondContact O-N 3.21Å; N607-V609 PolarHBondContact O-N 3.26Å; V609-E611 PolarHBondContact O-N 3.47Å; V609-L613 HydrophobicContact CG1-CB 4.22Å; V609-L613 HydrophobicContact CG1-CD2 3.68Å; V609-L613 VanDerWaalsContact O-CA 3.28Å; V609-L613 WeakPolarHBondContact O-CA 3.16Å; V609-L613 WeakPolarHBondContact O-CB 3.28Å; V609-L613 PolarHBondContact O-N 3.46Å
610	F	66	Low	67.5	Low	105 Å²	105	63.4 Å²	63.4	46%	0.461	31%	0.312	S	S	.	.	I	π-helix	trans	-68.3	-39.4	-174.6	-65.9	-49.3	0	0	0	112.9	Q606 I614	Q606-F610 HydrophobicContact CB-CD2 4.29Å; Q606-F610 HydrophobicContact CG-CD2 4.07Å; Q606-F610 WeakPolarHBondContact O-CA 3.38Å; Q606-F610 VanDerWaalsContact O-CB 3.24Å; Q606-F610 WeakPolarHBondContact O-CB 3.35Å; Q606-F610 PolarHBondContact O-N 3.06Å; F610-I614 HydrophobicContact CB-CD1 3.62Å; F610-I614 HydrophobicContact CB-CG1 4.24Å; F610-I614 HydrophobicContact CD1-CD1 3.62Å; F610-I614 HydrophobicContact CD1-CG1 4.03Å; F610-I614 HydrophobicContact CG-CD1 3.96Å; F610-I614 WeakPolarHBondContact O-CB 3.31Å; F610-I614 WeakPolarHBondContact O-CD1 3.24Å; F610-I614 WeakPolarHBondContact O-CG1 3.38Å; F610-I614 PolarHBondContact O-N 3.48Å
611	E	64.2	Low	67.7	Low	35 Å²	35	68.4 Å²	68.4	16%	0.164	33%	0.329	C	S	.	.	I	π-helix	trans	-75.1	-36.8	-177	-155.7	172.9	-162.5	0	0	113.7	Q606 N607 V609 P615 K704	Q606-E611 PolarHBondContact O-N 3.48Å; N607-E611 WeakPolarHBondContact O-CB 3.35Å; N607-E611 PolarHBondContact O-N 2.85Å; V609-E611 PolarHBondContact O-N 3.47Å; E611-P615 WeakPolarHBondContact O-CD 2.98Å; E611-P615 WeakPolarHBondContact O-CG 3.09Å; E611-K704 HydrophobicContact CG-CD 4.2Å; E611-K704 WeakPolarHBondContact OE1-CD 3.28Å; E611-K704 WeakPolarHBondContact OE1-CE 3.16Å; E611-K704 IonicContact OE1-NZ 3.77Å; E611-K704 PolarHBondContact OE1-NZ 3.39Å
612	I	67.6	Low	67.9	Low	44 Å²	44	73.1 Å²	73.1	23%	0.226	34%	0.344	C	S	.	.	H	α-helix	trans	-88	-38.9	178.1	-51.5	175.1	0	0	0	111.4	N608 K616 L700	N608-I612 WeakPolarHBondContact O-CB 3.24Å; I612-K616 HydrophobicContact CG2-CD 4.27Å; I612-K616 WeakPolarHBondContact O-CB 3.49Å; I612-K616 WeakPolarHBondContact O-CG 3.17Å; I612-L700 HydrophobicContact CD1-CD2 3.46Å; I612-L700 VanDerWaalsContact CD1-CD2 3.46Å; I612-L700 HydrophobicContact CG1-CD2 4Å
613	L	66.9	Low	68.1	Low	90 Å²	90	74.8 Å²	74.8	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-80	-41.6	-173.8	-165.3	63.6	0	0	0	111.4	V609 K616 M617	V609-L613 HydrophobicContact CG1-CB 4.22Å; V609-L613 HydrophobicContact CG1-CD2 3.68Å; V609-L613 VanDerWaalsContact O-CA 3.28Å; V609-L613 WeakPolarHBondContact O-CA 3.16Å; V609-L613 WeakPolarHBondContact O-CB 3.28Å; V609-L613 PolarHBondContact O-N 3.46Å; L613-K616 PolarHBondContact O-N 2.87Å; L613-M617 HydrophobicContact CD1-CG 3.86Å; L613-M617 HydrophobicContact CD1-SD 4.34Å; L613-M617 HydrophobicContact CG-CG 3.74Å; L613-M617 WeakPolarHBondContact O-CB 3.43Å; L613-M617 WeakPolarHBondContact O-CG 3.33Å; L613-M617 PolarHBondContact O-N 2.81Å
614	I	70.6	Confident	68.8	Low	88 Å²	88	77.3 Å²	77.3	45%	0.451	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-51.5	-175.8	-64.7	173.4	0	0	0	111.7	F610 K616 M617 K618	F610-I614 HydrophobicContact CB-CD1 3.62Å; F610-I614 HydrophobicContact CB-CG1 4.24Å; F610-I614 HydrophobicContact CD1-CD1 3.62Å; F610-I614 HydrophobicContact CD1-CG1 4.03Å; F610-I614 HydrophobicContact CG-CD1 3.96Å; F610-I614 WeakPolarHBondContact O-CB 3.31Å; F610-I614 WeakPolarHBondContact O-CD1 3.24Å; F610-I614 WeakPolarHBondContact O-CG1 3.38Å; F610-I614 PolarHBondContact O-N 3.48Å; I614-K616 VanDerWaalsContact C-N 3.32Å; I614-K616 PolarHBondContact O-N 3.45Å; I614-M617 PolarHBondContact O-N 2.83Å; I614-K618 VanDerWaalsContact O-CB 3.28Å; I614-K618 WeakPolarHBondContact O-CB 3.4Å; I614-K618 PolarHBondContact O-N 3.25Å
615	P	68.7	Low	69.4	Low	22 Å²	22	78.6 Å²	78.6	14%	0.143	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-39.3	-178.8	-22.8	35.7	0	0	0	111.6	E611 K618 K619	E611-P615 WeakPolarHBondContact O-CD 2.98Å; E611-P615 WeakPolarHBondContact O-CG 3.09Å; P615-K618 PolarHBondContact O-N 2.82Å; P615-K619 WeakPolarHBondContact O-CB 3.37Å; P615-K619 PolarHBondContact O-N 3.45Å
616	K	71.9	Confident	69.8	Low	116 Å²	116	78.6 Å²	78.6	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-42.5	175.2	-76.4	-174.7	180	170.1	0	112.9	I612 L613 I614 K619 M620	I612-K616 HydrophobicContact CG2-CD 4.27Å; I612-K616 WeakPolarHBondContact O-CB 3.49Å; I612-K616 WeakPolarHBondContact O-CG 3.17Å; L613-K616 PolarHBondContact O-N 2.87Å; I614-K616 VanDerWaalsContact C-N 3.32Å; I614-K616 PolarHBondContact O-N 3.45Å; K616-K619 PolarHBondContact O-N 3.24Å; K616-M620 WeakPolarHBondContact O-CB 3.44Å; K616-M620 PolarHBondContact O-N 3.32Å
617	M	72.1	Confident	70.4	Confident	94 Å²	94	81.9 Å²	81.9	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-65.9	-42.4	176.9	-74.7	-64.8	-66.3	0	0	111	L613 I614 M620 Y621	L613-M617 HydrophobicContact CD1-CG 3.86Å; L613-M617 HydrophobicContact CD1-SD 4.34Å; L613-M617 HydrophobicContact CG-CG 3.74Å; L613-M617 WeakPolarHBondContact O-CB 3.43Å; L613-M617 WeakPolarHBondContact O-CG 3.33Å; L613-M617 PolarHBondContact O-N 2.81Å; I614-M617 PolarHBondContact O-N 2.83Å; M617-M620 HydrophobicContact CE-CE 3.88Å; M617-M620 PolarHBondContact O-N 3.26Å; M617-M620 HydrophobicContact SD-CE 3.44Å; M617-M620 WeakPolarHBondContact SD-CE 3.39Å; M617-Y621 VanDerWaalsContact O-CB 3.24Å; M617-Y621 WeakPolarHBondContact O-CB 3.41Å; M617-Y621 PolarHBondContact O-N 3.34Å
618	K	74	Confident	70.7	Confident	87 Å²	87	88 Å²	88	38%	0.378	41%	0.413	S	S	.	.	H	α-helix	trans	-65.6	-41.6	176	-168.3	-179.3	-179.1	-176.1	0	111.5	I614 P615 Y621 R622 E657	I614-K618 VanDerWaalsContact O-CB 3.28Å; I614-K618 WeakPolarHBondContact O-CB 3.4Å; I614-K618 PolarHBondContact O-N 3.25Å; P615-K618 PolarHBondContact O-N 2.82Å; K618-Y621 PolarHBondContact O-N 3.4Å; K618-R622 WeakPolarHBondContact O-CB 3.43Å; K618-R622 VanDerWaalsContact O-CG 3.31Å; K618-R622 WeakPolarHBondContact O-CG 3.14Å; K618-R622 PolarHBondContact O-N 3.36Å; K618-E657 VanDerWaalsContact CD-OE1 3.23Å; K618-E657 WeakPolarHBondContact CD-OE1 3.29Å; K618-E657 WeakPolarHBondContact CE-OE1 3.37Å; K618-E657 IonicContact NZ-OE1 3.54Å; K618-E657 PolarHBondContact NZ-OE1 2.79Å
619	K	72.9	Confident	70.8	Confident	128 Å²	128	87.2 Å²	87.2	56%	0.557	42%	0.418	S	S	*	.	H	α-helix	trans	-64.2	-44.4	173.4	-179	175	-178.8	175.2	0	111.9	P615 K616 R622 T623	P615-K619 WeakPolarHBondContact O-CB 3.37Å; P615-K619 PolarHBondContact O-N 3.45Å; K616-K619 PolarHBondContact O-N 3.24Å; K619-R622 PolarHBondContact O-N 3.11Å; K619-T623 WeakPolarHBondContact O-CB 3.17Å; K619-T623 PolarHBondContact O-N 3.02Å; K619-T623 PolarHBondContact O-OG1 3.33Å
620	M	76.9	Confident	70.7	Confident	94 Å²	94	90 Å²	90	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-63.1	-45	175.8	-176.6	175.3	70.7	0	0	110.7	K616 M617 T623 I624	K616-M620 WeakPolarHBondContact O-CB 3.44Å; K616-M620 PolarHBondContact O-N 3.32Å; M617-M620 HydrophobicContact CE-CE 3.88Å; M617-M620 PolarHBondContact O-N 3.26Å; M617-M620 HydrophobicContact SD-CE 3.44Å; M617-M620 WeakPolarHBondContact SD-CE 3.39Å; M620-T623 PolarHBondContact O-N 2.97Å; M620-I624 HydrophobicContact CG-CD1 3.79Å; M620-I624 HydrophobicContact CG-CG1 4.46Å; M620-I624 WeakPolarHBondContact O-CB 3.09Å; M620-I624 WeakPolarHBondContact O-CG1 3.39Å; M620-I624 PolarHBondContact O-N 3.12Å
621	Y	80.1	Confident	70.3	Confident	155 Å²	155	92 Å²	92	61%	0.608	43%	0.433	S	S	*	.	H	α-helix	trans	-60.3	-47.9	175.9	-178.4	-93.1	0	0	0	111.9	M617 K618 T623 I624 Q625	M617-Y621 VanDerWaalsContact O-CB 3.24Å; M617-Y621 WeakPolarHBondContact O-CB 3.41Å; M617-Y621 PolarHBondContact O-N 3.34Å; K618-Y621 PolarHBondContact O-N 3.4Å; Y621-T623 VanDerWaalsContact C-N 3.34Å; Y621-T623 PolarHBondContact O-N 3.47Å; Y621-I624 PolarHBondContact O-N 2.86Å; Y621-Q625 WeakPolarHBondContact O-CB 3.26Å; Y621-Q625 PolarHBondContact O-N 3.42Å
622	R	73.9	Confident	69.8	Low	107 Å²	107	99.3 Å²	99.3	40%	0.404	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-43.3	174.8	-76.3	177.3	177.7	-179.8	-1.4	111.8	K618 K619 Q625 E626	K618-R622 WeakPolarHBondContact O-CB 3.43Å; K618-R622 VanDerWaalsContact O-CG 3.31Å; K618-R622 WeakPolarHBondContact O-CG 3.14Å; K618-R622 PolarHBondContact O-N 3.36Å; K619-R622 PolarHBondContact O-N 3.11Å; R622-Q625 PolarHBondContact O-N 3.44Å; R622-E626 WeakPolarHBondContact O-CB 3.34Å; R622-E626 WeakPolarHBondContact O-CG 3.31Å; R622-E626 PolarHBondContact O-N 3.08Å
623	T	71.5	Confident	69	Low	59 Å²	59	99.5 Å²	99.5	36%	0.362	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-43.9	178.2	-51.7	0	0	0	0	111.1	K619 M620 Y621 Q625 E626 E627	K619-T623 WeakPolarHBondContact O-CB 3.17Å; K619-T623 PolarHBondContact O-N 3.02Å; K619-T623 PolarHBondContact O-OG1 3.33Å; M620-T623 PolarHBondContact O-N 2.97Å; Y621-T623 VanDerWaalsContact C-N 3.34Å; Y621-T623 PolarHBondContact O-N 3.47Å; T623-Q625 VanDerWaalsContact C-N 3.32Å; T623-Q625 PolarHBondContact O-N 3.01Å; T623-E626 PolarHBondContact O-N 2.55Å; T623-E627 WeakPolarHBondContact O-CB 3.49Å; T623-E627 WeakPolarHBondContact O-CG 3.47Å; T623-E627 PolarHBondContact O-N 3.45Å
624	I	78.1	Confident	68.3	Low	69 Å²	69	98.7 Å²	98.7	35%	0.354	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-39.2	175.3	-68.6	165.9	0	0	0	110.9	M620 Y621 E627 K628	M620-I624 HydrophobicContact CG-CD1 3.79Å; M620-I624 HydrophobicContact CG-CG1 4.46Å; M620-I624 WeakPolarHBondContact O-CB 3.09Å; M620-I624 WeakPolarHBondContact O-CG1 3.39Å; M620-I624 PolarHBondContact O-N 3.12Å; Y621-I624 PolarHBondContact O-N 2.86Å; I624-E627 PolarHBondContact O-N 2.98Å; I624-K628 HydrophobicContact CG2-CD 4.17Å; I624-K628 WeakPolarHBondContact O-CB 3.33Å; I624-K628 VanDerWaalsContact O-CG 3.28Å; I624-K628 WeakPolarHBondContact O-CG 3.36Å; I624-K628 PolarHBondContact O-N 3.41Å
625	Q	75.5	Confident	67.4	Low	113 Å²	113	102.5 Å²	102.5	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-68.6	-41	177.5	-165.8	-179.8	10.7	0	0	111.7	Y621 R622 T623 K628 G629	Y621-Q625 WeakPolarHBondContact O-CB 3.26Å; Y621-Q625 PolarHBondContact O-N 3.42Å; R622-Q625 PolarHBondContact O-N 3.44Å; T623-Q625 VanDerWaalsContact C-N 3.32Å; T623-Q625 PolarHBondContact O-N 3.01Å; Q625-K628 PolarHBondContact O-N 2.95Å; Q625-G629 PolarHBondContact O-N 2.92Å
626	E	69.4	Low	66.3	Low	83 Å²	83	105.9 Å²	105.9	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-43.5	172.4	-77.1	-180	-160.3	0	0	111.5	R622 T623 G629 K630 K647	R622-E626 WeakPolarHBondContact O-CB 3.34Å; R622-E626 WeakPolarHBondContact O-CG 3.31Å; R622-E626 PolarHBondContact O-N 3.08Å; T623-E626 PolarHBondContact O-N 2.55Å; E626-G629 PolarHBondContact O-N 3.03Å; E626-K630 WeakPolarHBondContact O-CB 3.32Å; E626-K630 WeakPolarHBondContact O-CG 3.42Å; E626-K630 PolarHBondContact O-N 2.91Å; E626-K647 IonicContact OE2-NZ 3.14Å
627	E	71.3	Confident	65	Low	110 Å²	110	107.2 Å²	107.2	51%	0.514	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-41	176.2	-76.6	-177	179.5	0	0	112.1	T623 I624 G629 K630 K631	T623-E627 WeakPolarHBondContact O-CB 3.49Å; T623-E627 WeakPolarHBondContact O-CG 3.47Å; T623-E627 PolarHBondContact O-N 3.45Å; I624-E627 PolarHBondContact O-N 2.98Å; E627-G629 VanDerWaalsContact C-N 3.35Å; E627-K630 PolarHBondContact O-N 3.37Å; E627-K631 WeakPolarHBondContact O-CG 2.92Å; E627-K631 PolarHBondContact O-N 3.31Å
628	K	67.7	Low	63.5	Low	133 Å²	133	111.9 Å²	111.9	58%	0.578	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-38.6	173.2	-76	177.9	179.4	-178.5	0	111.9	I624 Q625 R632	I624-K628 HydrophobicContact CG2-CD 4.17Å; I624-K628 WeakPolarHBondContact O-CB 3.33Å; I624-K628 VanDerWaalsContact O-CG 3.28Å; I624-K628 WeakPolarHBondContact O-CG 3.36Å; I624-K628 PolarHBondContact O-N 3.41Å; Q625-K628 PolarHBondContact O-N 2.95Å; K628-R632 WeakPolarHBondContact O-CG 3.32Å; K628-R632 PolarHBondContact O-N 3.05Å; K628-R632 VanDerWaalsContact O-N 3.08Å
629	G	62.4	Low	61.6	Low	37 Å²	37	115 Å²	115	38%	0.381	56%	0.564	S	S	.	*	H	α-helix	trans	-65.2	-43.4	174.8	0	0	0	0	0	112.4	Q625 E626 E627 R632 A633	Q625-G629 PolarHBondContact O-N 2.92Å; E626-G629 PolarHBondContact O-N 3.03Å; E627-G629 VanDerWaalsContact C-N 3.35Å; G629-R632 PolarHBondContact O-N 2.79Å; G629-A633 WeakPolarHBondContact O-CB 3.32Å; G629-A633 PolarHBondContact O-N 3.41Å
630	K	62	Low	59.8	Low	120 Å²	120	117.3 Å²	117.3	52%	0.522	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-39.3	174.5	-76.4	179.9	177.8	-173.2	0	112.9	E626 E627 A633 A634	E626-K630 WeakPolarHBondContact O-CB 3.32Å; E626-K630 WeakPolarHBondContact O-CG 3.42Å; E626-K630 PolarHBondContact O-N 2.91Å; E627-K630 PolarHBondContact O-N 3.37Å; K630-A633 PolarHBondContact O-N 3.02Å; K630-A634 VanDerWaalsContact O-CB 3.23Å; K630-A634 WeakPolarHBondContact O-CB 3.33Å; K630-A634 PolarHBondContact O-N 3.3Å
631	K	58.1	Low	57.9	Low	147 Å²	147	120 Å²	120	64%	0.639	60%	0.599	S	S	*	*	H	α-helix	trans	-62.5	-42	173.6	-77	-179.1	179.6	-176.8	0	111.8	E627 A634 E635	E627-K631 WeakPolarHBondContact O-CG 2.92Å; E627-K631 PolarHBondContact O-N 3.31Å; K631-A634 PolarHBondContact O-N 3.49Å; K631-E635 WeakPolarHBondContact O-CG 3.42Å; K631-E635 PolarHBondContact O-N 3.01Å; K631-E635 VanDerWaalsContact O-N 3.11Å
632	R	54.3	Low	56	Low	189 Å²	189	117.8 Å²	117.8	71%	0.713	59%	0.593	S	S	*	*	H	α-helix	trans	-67.2	-37	175.2	-73.2	177.8	178.2	-176	-1.5	113.2	K628 G629 S636	K628-R632 WeakPolarHBondContact O-CG 3.32Å; K628-R632 PolarHBondContact O-N 3.05Å; K628-R632 VanDerWaalsContact O-N 3.08Å; G629-R632 PolarHBondContact O-N 2.79Å; R632-S636 PolarHBondContact O-OG 2.87Å
633	A	51.5	Low	54.4	Low	49 Å²	49	121.2 Å²	121.2	41%	0.405	61%	0.614	S	S	.	*	H	α-helix	trans	-70.5	-38.8	175.1	0	0	0	0	0	112	G629 K630 E635 S636 E637	G629-A633 WeakPolarHBondContact O-CB 3.32Å; G629-A633 PolarHBondContact O-N 3.41Å; K630-A633 PolarHBondContact O-N 3.02Å; A633-E635 VanDerWaalsContact C-N 3.27Å; A633-E635 PolarHBondContact O-N 2.88Å; A633-S636 WeakPolarHBondContact CA-OG 3.28Å; A633-S636 PolarHBondContact O-N 2.68Å; A633-S636 PolarHBondContact O-OG 2.89Å; A633-E637 PolarHBondContact O-N 2.94Å
634	A	51.8	Low	53.3	Low	73 Å²	73	124.8 Å²	124.8	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-27	175.2	0	0	0	0	0	113.1	K630 K631 S636	K630-A634 VanDerWaalsContact O-CB 3.23Å; K630-A634 WeakPolarHBondContact O-CB 3.33Å; K630-A634 PolarHBondContact O-N 3.3Å; K631-A634 PolarHBondContact O-N 3.49Å; A634-S636 VanDerWaalsContact C-N 3.31Å
635	E	51	Low	52.2	Low	168 Å²	168	128.6 Å²	128.6	79%	0.785	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-11.8	172.4	-76.8	172	179.9	0	0	113.4	K631 A633	K631-E635 WeakPolarHBondContact O-CG 3.42Å; K631-E635 PolarHBondContact O-N 3.01Å; K631-E635 VanDerWaalsContact O-N 3.11Å; A633-E635 VanDerWaalsContact C-N 3.27Å; A633-E635 PolarHBondContact O-N 2.88Å
636	S	46.2	Very low	51.4	Low	92 Å²	92	128.5 Å²	128.5	64%	0.643	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-13.7	-176.2	32.6	0	0	0	0	115.2	R632 A633 A634	R632-S636 PolarHBondContact O-OG 2.87Å; A633-S636 WeakPolarHBondContact CA-OG 3.28Å; A633-S636 PolarHBondContact O-N 2.68Å; A633-S636 PolarHBondContact O-OG 2.89Å; A634-S636 VanDerWaalsContact C-N 3.31Å
637	E	45	Very low	51.1	Low	145 Å²	145	130.3 Å²	130.3	68%	0.678	66%	0.656	S	S	*	*			trans	-127.6	86.5	178.9	-69.2	-175.4	169	0	0	111.2	A633 N639	A633-E637 PolarHBondContact O-N 2.94Å; E637-N639 VanDerWaalsContact C-N 3.32Å; E637-N639 PolarHBondContact O-N 3.29Å
638	E	39.7	Very low	51.2	Low	191 Å²	191	129.3 Å²	129.3	89%	0.893	65%	0.651	S	S	*	*			trans	-82.6	1.5	178.2	-116.7	179.6	-174.6	0	0	114.4
639	N	34.3	Very low	51.6	Low	154 Å²	154	125 Å²	125	82%	0.824	63%	0.633	S	S	*	*	S	Bend	trans	-140.3	82.2	-178.7	-80.5	-35.1	0	0	0	112.2	E637	E637-N639 VanDerWaalsContact C-N 3.32Å; E637-N639 PolarHBondContact O-N 3.29Å
640	E	35.8	Very low	52.3	Low	176 Å²	176	124 Å²	124	82%	0.822	62%	0.618	S	S	*	*			trans	-176.9	124.9	139.1	-101.6	172.3	-153.5	0	0	107.9	E642	E640-E642 VanDerWaalsContact C-N 3.29Å; E640-E642 PolarHBondContact O-N 3.43Å
641	T	36.6	Very low	53.1	Low	151 Å²	151	119.5 Å²	119.5	93%	0.926	60%	0.6	S	S	*	*			trans	-61.2	89.9	172.4	26.5	0	0	0	0	109.8	E643	T641-E643 PolarHBondContact O-N 3.36Å; T641-E643 VanDerWaalsContact O-N 3.15Å
642	E	40	Very low	54.1	Low	107 Å²	107	117.5 Å²	117.5	50%	0.5	59%	0.591	S	S	.	*			trans	-72.2	100.9	173.2	-72.6	-143	120.7	0	0	110.5	K93 E640 I644	K93-E642 WeakPolarHBondContact CE-OE1 3.39Å; K93-E642 IonicContact NZ-OE1 3.51Å; E640-E642 VanDerWaalsContact C-N 3.29Å; E640-E642 PolarHBondContact O-N 3.43Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 2.94Å
643	E	39.2	Very low	55.5	Low	180 Å²	180	108.6 Å²	108.6	84%	0.841	56%	0.557	S	S	*	*			trans	-64.5	95.9	157.5	-78.4	-168.8	159.6	0	0	108.8	T641 R645	T641-E643 PolarHBondContact O-N 3.36Å; T641-E643 VanDerWaalsContact O-N 3.15Å; E643-R645 PolarHBondContact O-N 2.87Å
644	I	50.1	Low	57	Low	133 Å²	133	108.2 Å²	108.2	68%	0.682	55%	0.547	S	S	*	.			trans	-60.7	107.9	171.6	-61.7	168.6	0	0	0	107.6	E642	E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 2.94Å
645	R	53.3	Low	58.4	Low	149 Å²	149	107.7 Å²	107.7	56%	0.562	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-51.4	136.9	171.9	-88.3	-179.2	174.7	-176.2	-4	109.5	S90 E643 K647	S90-R645 PolarHBondContact OG-NH1 3.32Å; E643-R645 PolarHBondContact O-N 2.87Å; R645-K647 PolarHBondContact O-N 2.82Å
646	P	59.3	Low	60	Low	112 Å²	112	100.8 Å²	100.8	73%	0.727	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-59.9	125.3	173.7	24.4	-32.1	0	0	0	109.2	Q648	P646-Q648 PolarHBondContact O-N 2.84Å; P646-Q648 VanDerWaalsContact O-N 3.08Å
647	K	64	Low	61.7	Low	121 Å²	121	98.7 Å²	98.7	53%	0.526	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-49.7	117.3	177.9	-72.3	-170.9	174.8	-170.6	0	109.6	E626 R645 D651 K652	E626-K647 IonicContact OE2-NZ 3.14Å; R645-K647 PolarHBondContact O-N 2.82Å; K647-D651 HydrophobicContact CB-CB 4.39Å; K647-K652 WeakPolarHBondContact O-CE 3.48Å
648	Q	73.7	Confident	63.5	Low	89 Å²	89	95.6 Å²	95.6	42%	0.416	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-77.4	171	-179.6	-63.3	-168.7	16.5	0	0	109.8	P646 F650 D651 K652	P646-Q648 PolarHBondContact O-N 2.84Å; P646-Q648 VanDerWaalsContact O-N 3.08Å; Q648-F650 VanDerWaalsContact C-N 3.27Å; Q648-F650 HydrophobicContact CB-CD1 3.91Å; Q648-F650 HydrophobicContact CB-CD2 4.44Å; Q648-F650 HydrophobicContact CB-CE1 3.48Å; Q648-F650 VanDerWaalsContact CB-CE1 3.48Å; Q648-F650 HydrophobicContact CB-CE2 4.01Å; Q648-F650 HydrophobicContact CB-CG 4.38Å; Q648-F650 HydrophobicContact CB-CZ 3.52Å; Q648-F650 HydrophobicContact CG-CE1 4.15Å; Q648-F650 HydrophobicContact CG-CZ 3.97Å; Q648-F650 PolarHBondContact O-N 2.88Å; Q648-D651 PolarHBondContact N-OD2 3.03Å; Q648-D651 PolarHBondContact O-N 3.49Å; Q648-K652 PolarHBondContact O-N 3.37Å
649	Q	76.4	Confident	65.7	Low	43 Å²	43	89.5 Å²	89.5	20%	0.201	45%	0.454	C	S	.	.	H	α-helix	trans	-60.4	-37.7	-175.1	-173.4	66.2	25.4	0	0	112	G238 D651 K652 D653	G238-Q649 PolarHBondContact O-NE2 3.5Å; Q649-D651 PolarHBondContact O-N 2.88Å; Q649-K652 WeakPolarHBondContact O-CB 3.4Å; Q649-K652 PolarHBondContact O-N 3.34Å; Q649-D653 PolarHBondContact NE2-OD1 3.14Å; Q649-D653 PolarHBondContact O-N 3.06Å
650	F	76.3	Confident	67.7	Low	15 Å²	15	90.6 Å²	90.6	7%	0.066	45%	0.454	C	S	.	.	H	α-helix	trans	-67.3	-33.8	178.5	51.2	-102.8	0	0	0	114.2	I9 F99 L235 Q648 K652 D653 F654	I9-F650 HydrophobicContact CD1-CB 3.19Å; I9-F650 HydrophobicContact CD1-CD1 4.35Å; I9-F650 HydrophobicContact CD1-CG 4.04Å; F99-F650 AromaticContact CD2-CD2 3.81Å; F99-F650 HydrophobicContact CD2-CD2 3.81Å; F99-F650 AromaticContact CD2-CE2 3.86Å; F99-F650 HydrophobicContact CD2-CE2 3.86Å; F99-F650 HydrophobicContact CE2-CD2 4.01Å; F99-F650 HydrophobicContact CE2-CE2 4.23Å; F99-F650 HydrophobicContact CG-CD2 4.12Å; F99-F650 HydrophobicContact CG-CE2 4.44Å; F99-F650 HydrophobicContact CZ-CD2 4.48Å; L235-F650 HydrophobicContact CD2-CB 3.89Å; Q648-F650 VanDerWaalsContact C-N 3.27Å; Q648-F650 HydrophobicContact CB-CD1 3.91Å; Q648-F650 HydrophobicContact CB-CD2 4.44Å; Q648-F650 HydrophobicContact CB-CE1 3.48Å; Q648-F650 VanDerWaalsContact CB-CE1 3.48Å; Q648-F650 HydrophobicContact CB-CE2 4.01Å; Q648-F650 HydrophobicContact CB-CG 4.38Å; Q648-F650 HydrophobicContact CB-CZ 3.52Å; Q648-F650 HydrophobicContact CG-CE1 4.15Å; Q648-F650 HydrophobicContact CG-CZ 3.97Å; Q648-F650 PolarHBondContact O-N 2.88Å; F650-K652 VanDerWaalsContact C-N 3.25Å; F650-K652 PolarHBondContact O-N 3.05Å; F650-D653 PolarHBondContact O-N 3.49Å; F650-F654 VanDerWaalsContact O-CB 3.3Å; F650-F654 WeakPolarHBondContact O-CB 3.26Å; F650-F654 PolarHBondContact O-N 3.4Å
651	D	79.6	Confident	69.9	Low	26 Å²	26	83.1 Å²	83.1	14%	0.139	42%	0.424	C	S	.	.	H	α-helix	trans	-65	-36.8	175.4	-59.7	-46.9	0	0	0	110.6	F99 K647 Q648 Q649 A655	F99-D651 VanDerWaalsContact CE2-OD1 3.31Å; F99-D651 WeakPolarHBondContact CE2-OD1 3.29Å; K647-D651 HydrophobicContact CB-CB 4.39Å; Q648-D651 PolarHBondContact N-OD2 3.03Å; Q648-D651 PolarHBondContact O-N 3.49Å; Q649-D651 PolarHBondContact O-N 2.88Å; D651-A655 PolarHBondContact O-N 3.43Å
652	K	78.9	Confident	72.2	Confident	104 Å²	104	76 Å²	76	45%	0.452	38%	0.381	S	S	.	.	H	α-helix	trans	-71.8	-43.5	178.4	-63.6	174.8	-172.2	169.3	0	111	K647 Q648 Q649 F650 A655	K647-K652 WeakPolarHBondContact O-CE 3.48Å; Q648-K652 PolarHBondContact O-N 3.37Å; Q649-K652 WeakPolarHBondContact O-CB 3.4Å; Q649-K652 PolarHBondContact O-N 3.34Å; F650-K652 VanDerWaalsContact C-N 3.25Å; F650-K652 PolarHBondContact O-N 3.05Å; K652-A655 WeakPolarHBondContact O-CB 3.21Å; K652-A655 PolarHBondContact O-N 3.4Å
653	D	82.9	Confident	74.5	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.011	37%	0.368	C	S	.	.	H	α-helix	trans	-69.5	-35.8	179.6	-68.3	-5	0	0	0	110.6	F233 L235 H236 R252 Q649 F650 A655 L656 R710	F233-D653 HydrophobicContact CE2-CB 3.99Å; L235-D653 HydrophobicContact CD2-CB 4.45Å; H236-D653 IonicContact CD2-OD1 3.86Å; H236-D653 IonicContact CD2-OD2 3.92Å; H236-D653 IonicContact CG-OD2 3.74Å; H236-D653 PolarHBondContact N-OD2 2.85Å; R252-D653 IonicContact NH1-OD1 3.61Å; Q649-D653 PolarHBondContact NE2-OD1 3.14Å; Q649-D653 PolarHBondContact O-N 3.06Å; F650-D653 PolarHBondContact O-N 3.49Å; D653-A655 VanDerWaalsContact C-N 3.25Å; D653-A655 PolarHBondContact O-N 3.07Å; D653-L656 WeakPolarHBondContact O-CB 3.32Å; D653-L656 PolarHBondContact O-N 3.15Å; D653-L656 VanDerWaalsContact O-N 3.12Å; D653-R710 VanDerWaalsContact O-CG 3.29Å; D653-R710 WeakPolarHBondContact O-CG 3.34Å; D653-R710 PolarHBondContact O-NE 3.08Å
654	F	83.6	Confident	76.7	Confident	41 Å²	41	67.1 Å²	67.1	18%	0.18	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-27.6	172.5	-175.7	-103.5	0	0	0	113.1	C11 I97 F99 I230 S231 F233 F650 L656 R710	C11-F654 HydrophobicContact CB-CD2 4.42Å; C11-F654 HydrophobicContact CB-CE2 4.17Å; C11-F654 WeakPolarHBondContact SG-CE2 3.01Å; I97-F654 HydrophobicContact CD1-CE1 3.59Å; I97-F654 HydrophobicContact CD1-CZ 4.02Å; F99-F654 HydrophobicContact CE1-CB 4.05Å; F99-F654 HydrophobicContact CE1-CD2 4.15Å; F99-F654 AromaticContact CE1-CG 3.98Å; F99-F654 HydrophobicContact CE1-CG 3.98Å; F99-F654 HydrophobicContact CZ-CB 4.17Å; F99-F654 HydrophobicContact CZ-CD1 4.31Å; F99-F654 HydrophobicContact CZ-CG 4.14Å; I230-F654 HydrophobicContact CG2-CE2 4.48Å; S231-F654 WeakPolarHBondContact OG-CE2 3.5Å; F233-F654 AromaticContact CE1-CD2 3.95Å; F233-F654 HydrophobicContact CE1-CD2 3.95Å; F233-F654 HydrophobicContact CZ-CB 4.02Å; F233-F654 HydrophobicContact CZ-CD2 4.22Å; F650-F654 VanDerWaalsContact O-CB 3.3Å; F650-F654 WeakPolarHBondContact O-CB 3.26Å; F650-F654 PolarHBondContact O-N 3.4Å; F654-L656 VanDerWaalsContact C-N 3.26Å; F654-L656 PolarHBondContact O-N 3.01Å; F654-R710 PolarHBondContact O-NH2 3.45Å
655	A	81.1	Confident	78.4	Confident	62 Å²	62	61.8 Å²	61.8	51%	0.512	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.1	176.1	0	0	0	0	0	113.7	D651 K652 D653	D651-A655 PolarHBondContact O-N 3.43Å; K652-A655 WeakPolarHBondContact O-CB 3.21Å; K652-A655 PolarHBondContact O-N 3.4Å; D653-A655 VanDerWaalsContact C-N 3.25Å; D653-A655 PolarHBondContact O-N 3.07Å
656	L	83.7	Confident	80.2	Confident	23 Å²	23	55.3 Å²	55.3	12%	0.12	30%	0.297	C	S	.	.	S	Bend	trans	-75.5	162.9	178.2	-59.6	173.7	0	0	0	111.6	D653 F654 R710	D653-L656 WeakPolarHBondContact O-CB 3.32Å; D653-L656 PolarHBondContact O-N 3.15Å; D653-L656 VanDerWaalsContact O-N 3.12Å; F654-L656 VanDerWaalsContact C-N 3.26Å; F654-L656 PolarHBondContact O-N 3.01Å; L656-R710 HydrophobicContact CB-CG 3.72Å; L656-R710 PolarHBondContact O-NE 3.03Å; L656-R710 PolarHBondContact O-NH2 3.25Å
657	E	81.7	Confident	81.6	Confident	49 Å²	49	50.5 Å²	50.5	23%	0.229	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-76.4	142.5	179.4	-61.1	-158	128.6	0	0	111.6	K618 E708 R710	K618-E657 VanDerWaalsContact CD-OE1 3.23Å; K618-E657 WeakPolarHBondContact CD-OE1 3.29Å; K618-E657 WeakPolarHBondContact CE-OE1 3.37Å; K618-E657 IonicContact NZ-OE1 3.54Å; K618-E657 PolarHBondContact NZ-OE1 2.79Å; E657-E708 PolarHBondContact N-O 3.3Å; E657-R710 WeakPolarHBondContact O-CG 3.49Å; E657-R710 PolarHBondContact O-N 2.95Å
658	P	83.9	Confident	82.6	Confident	79 Å²	79	46.3 Å²	46.3	51%	0.513	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-65.5	154.7	174.5	30.5	-34.7	0	0	0	110.8
659	F	84.5	Confident	83.4	Confident	63 Å²	63	42.1 Å²	42.1	28%	0.276	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-85.1	125.3	177	173.5	-109.8	0	0	0	110.1	I282 G661 V662 F705 I709 P712	I282-F659 HydrophobicContact CD1-CZ 4.46Å; F659-G661 VanDerWaalsContact CE1-CA 3.47Å; F659-G661 VanDerWaalsContact CE2-O 3.25Å; F659-G661 WeakPolarHBondContact CE2-O 3.33Å; F659-G661 WeakPolarHBondContact CZ-O 3.18Å; F659-V662 HydrophobicContact CE2-CG2 4.33Å; F659-V662 HydrophobicContact CZ-CG2 3.66Å; F659-F705 HydrophobicContact CD2-CE1 4.19Å; F659-F705 AromaticContact CE2-CE1 3.63Å; F659-F705 HydrophobicContact CE2-CE1 3.63Å; F659-F705 AromaticContact CE2-CZ 3.92Å; F659-F705 HydrophobicContact CE2-CZ 3.92Å; F659-F705 HydrophobicContact CZ-CE1 4.47Å; F659-I709 HydrophobicContact CD2-CD1 4.05Å; F659-P712 HydrophobicContact CB-CB 4.24Å; F659-P712 HydrophobicContact CD1-CB 3.58Å; F659-P712 HydrophobicContact CD2-CB 4.33Å; F659-P712 HydrophobicContact CE1-CB 3.89Å; F659-P712 HydrophobicContact CG-CB 3.79Å; F659-P712 HydrophobicContact CZ-CB 4.4Å
660	E	76.9	Confident	84.1	Confident	177 Å²	177	40 Å²	40	83%	0.827	22%	0.217	S	C	*	.			trans	-99.5	11.4	-175.9	-64.6	-176.7	172.4	0	0	113.4
661	G	82.7	Confident	84.7	Confident	20 Å²	20	39.6 Å²	39.6	21%	0.206	22%	0.216	C	C	.	.			trans	102.6	175.2	-176.9	0	0	0	0	0	113.2	F659 E665	F659-G661 VanDerWaalsContact CE1-CA 3.47Å; F659-G661 VanDerWaalsContact CE2-O 3.25Å; F659-G661 WeakPolarHBondContact CE2-O 3.33Å; F659-G661 WeakPolarHBondContact CZ-O 3.18Å; G661-E665 VanDerWaalsContact O-OE2 3.13Å
662	V	85.3	Confident	85.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.21	C	C	.	.	S	Bend	trans	-99.9	-8.2	175.2	-162.5	0	0	0	0	111.8	Q281 I282 Y285 F659 E665 Y666	Q281-V662 HydrophobicContact CG-CG2 4.42Å; I282-V662 HydrophobicContact CG1-CG2 3.95Å; Y285-V662 HydrophobicContact CD1-CG1 4.18Å; Y285-V662 HydrophobicContact CD2-CG1 3.81Å; Y285-V662 HydrophobicContact CE2-CG1 4.47Å; Y285-V662 HydrophobicContact CG-CG1 3.65Å; F659-V662 HydrophobicContact CE2-CG2 4.33Å; F659-V662 HydrophobicContact CZ-CG2 3.66Å; V662-E665 VanDerWaalsContact CA-OE2 3.27Å; V662-E665 WeakPolarHBondContact CA-OE2 3.28Å; V662-E665 HydrophobicContact CG1-CB 4.39Å; V662-E665 PolarHBondContact O-N 3.07Å; V662-Y666 HydrophobicContact CB-CD2 4.23Å; V662-Y666 HydrophobicContact CB-CE2 4.25Å; V662-Y666 HydrophobicContact CG1-CD2 3.75Å; V662-Y666 HydrophobicContact CG1-CE2 3.69Å; V662-Y666 WeakPolarHBondContact O-CD2 3.44Å; V662-Y666 PolarHBondContact O-N 3.42Å; V662-Y666 VanDerWaalsContact O-N 3.07Å
663	S	86.8	Confident	85.9	Confident	33 Å²	33	33.5 Å²	33.5	23%	0.231	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-41.5	-174.2	-61.8	0	0	0	0	113.4	E665 M667 W723	S663-E665 VanDerWaalsContact C-N 3.33Å; S663-E665 PolarHBondContact O-N 2.87Å; S663-M667 VanDerWaalsContact O-CB 3.29Å; S663-M667 WeakPolarHBondContact O-CB 3.5Å; S663-M667 PolarHBondContact O-N 2.95Å; S663-W723 WeakPolarHBondContact O-CZ2 3.28Å
664	P	85.4	Confident	86.3	Confident	67 Å²	67	33.4 Å²	33.4	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-60.2	-39.7	174	-23.5	35.3	0	0	0	113.3	M667 E668	P664-M667 VanDerWaalsContact O-CB 3.32Å; P664-M667 WeakPolarHBondContact O-CB 3.36Å; P664-M667 PolarHBondContact O-N 3.31Å; P664-E668 PolarHBondContact O-N 2.84Å; P664-E668 VanDerWaalsContact O-N 3.14Å
665	E	87.4	Confident	86.6	Confident	21 Å²	21	31.9 Å²	31.9	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-47.3	179.3	-68.5	74.5	-171.4	0	0	111.1	Y285 G661 V662 S663 M667 E668 M669 K704	Y285-E665 HydrophobicContact CE1-CB 4.45Å; Y285-E665 HydrophobicContact CE2-CB 3.91Å; G661-E665 VanDerWaalsContact O-OE2 3.13Å; V662-E665 VanDerWaalsContact CA-OE2 3.27Å; V662-E665 WeakPolarHBondContact CA-OE2 3.28Å; V662-E665 HydrophobicContact CG1-CB 4.39Å; V662-E665 PolarHBondContact O-N 3.07Å; S663-E665 VanDerWaalsContact C-N 3.33Å; S663-E665 PolarHBondContact O-N 2.87Å; E665-M667 VanDerWaalsContact C-N 3.28Å; E665-M667 PolarHBondContact O-N 3.44Å; E665-E668 PolarHBondContact O-N 2.84Å; E665-M669 WeakPolarHBondContact O-CG 3.32Å; E665-M669 PolarHBondContact O-N 3.47Å; E665-K704 IonicContact OE1-NZ 3.41Å; E665-K704 PolarHBondContact OE1-NZ 3.4Å
666	Y	90.3	Very high	87.1	Confident	13 Å²	13	28.9 Å²	28.9	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-40.4	172.6	-84.8	-70.4	0	0	0	112.4	Y285 W288 V662 E668 M669 I670 I720 W723	Y285-Y666 WeakPolarHBondContact CA-OH 3.41Å; Y285-Y666 WeakPolarHBondContact CB-OH 3.15Å; Y285-Y666 AromaticContact CD2-CD1 3.84Å; Y285-Y666 HydrophobicContact CD2-CD1 3.84Å; Y285-Y666 AromaticContact CD2-CD2 3.92Å; Y285-Y666 HydrophobicContact CD2-CD2 3.92Å; Y285-Y666 AromaticContact CD2-CE1 3.67Å; Y285-Y666 HydrophobicContact CD2-CE1 3.67Å; Y285-Y666 AromaticContact CD2-CE2 3.74Å; Y285-Y666 HydrophobicContact CD2-CE2 3.74Å; Y285-Y666 AromaticContact CD2-CG 3.98Å; Y285-Y666 HydrophobicContact CD2-CG 3.98Å; Y285-Y666 AromaticContact CD2-CZ 3.63Å; Y285-Y666 HydrophobicContact CE2-CD1 4.29Å; Y285-Y666 HydrophobicContact CE2-CG 4.36Å; Y285-Y666 HydrophobicContact CG-CE2 4.26Å; Y285-Y666 PolarHBondContact N-OH 3.47Å; W288-Y666 HydrophobicContact CD2-CE1 4.28Å; W288-Y666 HydrophobicContact CE3-CD1 4.26Å; W288-Y666 HydrophobicContact CE3-CE1 4.12Å; W288-Y666 HydrophobicContact CG-CE1 4.47Å; W288-Y666 HydrophobicContact CZ3-CD1 4.49Å; V662-Y666 HydrophobicContact CB-CD2 4.23Å; V662-Y666 HydrophobicContact CB-CE2 4.25Å; V662-Y666 HydrophobicContact CG1-CD2 3.75Å; V662-Y666 HydrophobicContact CG1-CE2 3.69Å; V662-Y666 WeakPolarHBondContact O-CD2 3.44Å; V662-Y666 PolarHBondContact O-N 3.42Å; V662-Y666 VanDerWaalsContact O-N 3.07Å; Y666-E668 VanDerWaalsContact C-N 3.31Å; Y666-E668 PolarHBondContact O-N 2.9Å; Y666-M669 PolarHBondContact O-N 3.47Å; Y666-I670 WeakPolarHBondContact O-CB 3.48Å; Y666-I670 WeakPolarHBondContact O-CD1 3.49Å; Y666-I670 VanDerWaalsContact O-CG1 3.23Å; Y666-I670 WeakPolarHBondContact O-CG1 3.43Å; Y666-I670 PolarHBondContact O-N 2.83Å; Y666-I720 HydrophobicContact CE1-CG2 4.32Å; Y666-W723 AromaticContact CD2-NE1 3.87Å; Y666-W723 AromaticContact CG-CD1 3.99Å; Y666-W723 HydrophobicContact CG-CG 4.49Å; Y666-W723 AromaticContact CG-NE1 3.83Å
667	M	88.6	Confident	87.5	Confident	10 Å²	10	28 Å²	28	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-44.4	-177.7	-171.6	179.4	-154.7	0	0	111.7	S541 F542 K545 S663 P664 E665 I670 I671 W723	S541-M667 WeakPolarHBondContact O-CE 3.46Å; S541-M667 WeakPolarHBondContact OG-CE 3.25Å; F542-M667 VanDerWaalsContact CA-CE 3.48Å; F542-M667 HydrophobicContact CB-CE 4.44Å; K545-M667 HydrophobicContact CB-CE 3.57Å; K545-M667 HydrophobicContact CD-CE 3.29Å; K545-M667 HydrophobicContact CD-SD 3.58Å; K545-M667 VanDerWaalsContact CD-SD 3.58Å; K545-M667 VanDerWaalsContact CE-SD 3.57Å; K545-M667 HydrophobicContact CG-CE 3.51Å; K545-M667 HydrophobicContact CG-SD 4.45Å; K545-M667 PolarHBondContact NZ-SD 3.02Å; K545-M667 VanDerWaalsContact NZ-SD 3.38Å; S663-M667 VanDerWaalsContact O-CB 3.29Å; S663-M667 WeakPolarHBondContact O-CB 3.5Å; S663-M667 PolarHBondContact O-N 2.95Å; P664-M667 VanDerWaalsContact O-CB 3.32Å; P664-M667 WeakPolarHBondContact O-CB 3.36Å; P664-M667 PolarHBondContact O-N 3.31Å; E665-M667 VanDerWaalsContact C-N 3.28Å; E665-M667 PolarHBondContact O-N 3.44Å; M667-I670 PolarHBondContact O-N 3.33Å; M667-I671 HydrophobicContact CG-CD1 4.06Å; M667-I671 VanDerWaalsContact O-CG1 3.28Å; M667-I671 WeakPolarHBondContact O-CG1 3.4Å; M667-I671 PolarHBondContact O-N 2.89Å; M667-W723 HydrophobicContact CB-CH2 3.78Å; M667-W723 HydrophobicContact CB-CZ2 4.48Å; M667-W723 HydrophobicContact CG-CH2 4.25Å
668	E	85.8	Confident	87.9	Confident	33 Å²	33	25.8 Å²	25.8	15%	0.154	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-49.7	178.3	-167.9	-172.2	142.8	0	0	111.4	Q603 N607 P664 E665 Y666 I670 I671 Q672	Q603-E668 PolarHBondContact NE2-OE1 3.25Å; N607-E668 PolarHBondContact ND2-OE1 3.46Å; N607-E668 PolarHBondContact ND2-OE2 2.89Å; N607-E668 PolarHBondContact OD1-OE1 3.39Å; N607-E668 PolarHBondContact OD1-OE2 3.43Å; P664-E668 PolarHBondContact O-N 2.84Å; P664-E668 VanDerWaalsContact O-N 3.14Å; E665-E668 PolarHBondContact O-N 2.84Å; Y666-E668 VanDerWaalsContact C-N 3.31Å; Y666-E668 PolarHBondContact O-N 2.9Å; E668-I670 VanDerWaalsContact C-N 3.27Å; E668-I670 PolarHBondContact O-N 2.98Å; E668-I671 PolarHBondContact O-N 2.96Å; E668-Q672 PolarHBondContact O-N 2.94Å
669	M	89.1	Confident	88.2	Confident	1 Å²	1	22 Å²	22	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-33.2	-177.9	-61.9	-60.4	109.8	0	0	112.4	W288 L289 E665 Y666 Q672 Y673 E697	W288-M669 HydrophobicContact CH2-CB 3.71Å; W288-M669 HydrophobicContact CZ3-CB 3.52Å; W288-M669 HydrophobicContact CZ3-CG 4.16Å; L289-M669 HydrophobicContact CD1-CG 3.94Å; L289-M669 HydrophobicContact CD1-SD 3.67Å; E665-M669 WeakPolarHBondContact O-CG 3.32Å; E665-M669 PolarHBondContact O-N 3.47Å; Y666-M669 PolarHBondContact O-N 3.47Å; M669-Q672 WeakPolarHBondContact O-CB 3.32Å; M669-Q672 PolarHBondContact O-N 3.4Å; M669-Y673 PolarHBondContact O-N 3.4Å; M669-E697 HydrophobicContact CE-CG 3.65Å; M669-E697 HydrophobicContact SD-CG 4.14Å
670	I	91.9	Very high	88.5	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-76.6	-35.7	178.5	-68.8	169	0	0	0	111.5	W288 F542 Y666 M667 E668 Q672 Y673 G674 W723 I726 L727 I730	W288-I670 HydrophobicContact CH2-CG1 4.17Å; W288-I670 HydrophobicContact CZ2-CG1 4.35Å; F542-I670 HydrophobicContact CD2-CG2 4.38Å; F542-I670 HydrophobicContact CE2-CG2 3.83Å; Y666-I670 WeakPolarHBondContact O-CB 3.48Å; Y666-I670 WeakPolarHBondContact O-CD1 3.49Å; Y666-I670 VanDerWaalsContact O-CG1 3.23Å; Y666-I670 WeakPolarHBondContact O-CG1 3.43Å; Y666-I670 PolarHBondContact O-N 2.83Å; M667-I670 PolarHBondContact O-N 3.33Å; E668-I670 VanDerWaalsContact C-N 3.27Å; E668-I670 PolarHBondContact O-N 2.98Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; I670-Y673 WeakPolarHBondContact O-CB 2.81Å; I670-Y673 PolarHBondContact O-N 2.84Å; I670-G674 PolarHBondContact O-N 2.67Å; I670-W723 HydrophobicContact CD1-CB 3.76Å; I670-W723 HydrophobicContact CD1-CD2 3.45Å; I670-W723 VanDerWaalsContact CD1-CD2 3.45Å; I670-W723 HydrophobicContact CD1-CE3 3.07Å; I670-W723 HydrophobicContact CD1-CG 3.79Å; I670-W723 HydrophobicContact CD1-CZ3 3.7Å; I670-W723 HydrophobicContact CG1-CE3 4.38Å; I670-I726 HydrophobicContact CG2-CG2 3.87Å; I670-L727 HydrophobicContact CG1-CD2 4.08Å; I670-L727 HydrophobicContact CG1-CG 4.37Å; I670-L727 HydrophobicContact CG2-CD2 4.22Å; I670-I730 HydrophobicContact CG2-CD1 3.69Å
671	I	89.6	Confident	89	Confident	5 Å²	5	10.8 Å²	10.8	3%	0.026	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-41.8	170.9	-70.9	170.1	0	0	0	110.1	F542 K545 A549 M667 E668 G674 F675	F542-I671 HydrophobicContact CE2-CG1 4.48Å; K545-I671 HydrophobicContact CB-CD1 4.2Å; A549-I671 HydrophobicContact CB-CG2 4.47Å; M667-I671 HydrophobicContact CG-CD1 4.06Å; M667-I671 VanDerWaalsContact O-CG1 3.28Å; M667-I671 WeakPolarHBondContact O-CG1 3.4Å; M667-I671 PolarHBondContact O-N 2.89Å; E668-I671 PolarHBondContact O-N 2.96Å; I671-G674 WeakPolarHBondContact O-CA 3.45Å; I671-G674 PolarHBondContact O-N 3.27Å; I671-F675 HydrophobicContact CG2-CD2 4.17Å; I671-F675 HydrophobicContact CG2-CE2 3.58Å; I671-F675 HydrophobicContact CG2-CZ 4.13Å; I671-F675 WeakPolarHBondContact O-CD2 3.36Å; I671-F675 PolarHBondContact O-N 3.09Å
672	Q	90.2	Very high	89.1	Confident	3 Å²	3	9.9 Å²	9.9	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-44.6	173.8	-171.7	-158.8	19	0	0	112	E668 M669 I670 G674 F675 V676 A690 N694	E668-Q672 PolarHBondContact O-N 2.94Å; M669-Q672 WeakPolarHBondContact O-CB 3.32Å; M669-Q672 PolarHBondContact O-N 3.4Å; I670-Q672 VanDerWaalsContact C-N 3.31Å; Q672-G674 PolarHBondContact O-N 3.43Å; Q672-F675 PolarHBondContact O-N 2.8Å; Q672-F675 VanDerWaalsContact O-N 3.11Å; Q672-V676 WeakPolarHBondContact O-CG2 3.43Å; Q672-V676 PolarHBondContact O-N 3.35Å; Q672-A690 HydrophobicContact CG-CB 4.38Å; Q672-A690 VanDerWaalsContact NE2-CA 3.3Å; Q672-A690 PolarHBondContact NE2-O 3.44Å; Q672-N694 VanDerWaalsContact CD-OD1 3.3Å; Q672-N694 PolarHBondContact NE2-OD1 2.69Å; Q672-N694 PolarHBondContact OE1-OD1 3.32Å
673	Y	92.4	Very high	89.1	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.6	-38.2	171.2	177.1	-96.4	0	0	0	112	Y292 W373 A374 F377 M669 I670 V676 S677 L727 I730 S731	Y292-Y673 HydrophobicContact CD2-CD2 4.49Å; Y292-Y673 AromaticContact CE2-CD2 3.75Å; Y292-Y673 HydrophobicContact CE2-CD2 3.75Å; Y292-Y673 WeakPolarHBondContact OH-CA 3.11Å; W373-Y673 HydrophobicContact CH2-CD2 4.37Å; W373-Y673 AromaticContact CH2-CE2 3.94Å; W373-Y673 HydrophobicContact CH2-CE2 3.94Å; W373-Y673 HydrophobicContact CZ3-CD2 4.47Å; W373-Y673 AromaticContact CZ3-CE2 3.76Å; W373-Y673 HydrophobicContact CZ3-CE2 3.76Å; A374-Y673 WeakPolarHBondContact CB-OH 3.22Å; F377-Y673 AromaticContact CD1-CE2 3.96Å; F377-Y673 HydrophobicContact CD1-CE2 3.96Å; F377-Y673 HydrophobicContact CE1-CD2 4.48Å; F377-Y673 HydrophobicContact CE1-CE2 4.05Å; M669-Y673 PolarHBondContact O-N 3.4Å; I670-Y673 WeakPolarHBondContact O-CB 2.81Å; I670-Y673 PolarHBondContact O-N 2.84Å; Y673-V676 PolarHBondContact O-N 3.35Å; Y673-S677 WeakPolarHBondContact O-CB 3.44Å; Y673-S677 PolarHBondContact O-N 2.88Å; Y673-S677 PolarHBondContact O-OG 3.02Å; Y673-L727 HydrophobicContact CD1-CD2 3.45Å; Y673-L727 VanDerWaalsContact CD1-CD2 3.45Å; Y673-L727 HydrophobicContact CD2-CD2 4.48Å; Y673-L727 HydrophobicContact CE1-CD2 3.84Å; Y673-L727 HydrophobicContact CG-CD2 3.82Å; Y673-I730 HydrophobicContact CD1-CG2 4.01Å; Y673-I730 HydrophobicContact CE1-CB 4.37Å; Y673-I730 HydrophobicContact CE1-CG2 4Å; Y673-S731 PolarHBondContact OH-OG 3Å
674	G	92.2	Very high	89.2	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.1	-49.3	171.6	0	0	0	0	0	112.8	I670 I671 Q672 V676 S677 L678	I670-G674 PolarHBondContact O-N 2.67Å; I671-G674 WeakPolarHBondContact O-CA 3.45Å; I671-G674 PolarHBondContact O-N 3.27Å; Q672-G674 PolarHBondContact O-N 3.43Å; G674-V676 VanDerWaalsContact C-N 3.33Å; G674-V676 PolarHBondContact O-N 2.83Å; G674-S677 PolarHBondContact O-N 3.13Å; G674-S677 PolarHBondContact O-OG 3.28Å; G674-L678 WeakPolarHBondContact O-CB 3.28Å; G674-L678 WeakPolarHBondContact O-CD1 3.23Å; G674-L678 WeakPolarHBondContact O-CG 3.39Å; G674-L678 PolarHBondContact O-N 3.43Å
675	F	89.3	Confident	89.4	Confident	8 Å²	8	6.5 Å²	6.5	4%	0.035	3%	0.032	C	C	.	.	H	α-helix	trans	-60.2	-42	176.2	-68.4	-55.1	0	0	0	112.7	A549 F550 I553 I598 I671 Q672	A549-F675 HydrophobicContact CB-CZ 4.08Å; F550-F675 AromaticContact CD1-CD1 3.92Å; F550-F675 HydrophobicContact CD1-CD1 3.92Å; F550-F675 AromaticContact CD1-CE1 3.52Å; F550-F675 HydrophobicContact CD1-CE1 3.52Å; F550-F675 HydrophobicContact CD1-CZ 4.2Å; F550-F675 AromaticContact CE1-CD1 3.61Å; F550-F675 HydrophobicContact CE1-CD1 3.61Å; F550-F675 AromaticContact CE1-CE1 3.48Å; F550-F675 HydrophobicContact CE1-CE1 3.48Å; F550-F675 VanDerWaalsContact CE1-CE1 3.48Å; F550-F675 HydrophobicContact CE1-CE2 4.46Å; F550-F675 HydrophobicContact CE1-CG 4.15Å; F550-F675 AromaticContact CE1-CZ 3.94Å; F550-F675 HydrophobicContact CE1-CZ 3.94Å; I553-F675 HydrophobicContact CD1-CD1 3.94Å; I553-F675 HydrophobicContact CD1-CE1 3.5Å; I598-F675 HydrophobicContact CG2-CE1 4.32Å; I598-F675 HydrophobicContact CG2-CE2 4.21Å; I598-F675 HydrophobicContact CG2-CZ 3.71Å; I671-F675 HydrophobicContact CG2-CD2 4.17Å; I671-F675 HydrophobicContact CG2-CE2 3.58Å; I671-F675 HydrophobicContact CG2-CZ 4.13Å; I671-F675 WeakPolarHBondContact O-CD2 3.36Å; I671-F675 PolarHBondContact O-N 3.09Å; Q672-F675 PolarHBondContact O-N 2.8Å; Q672-F675 VanDerWaalsContact O-N 3.11Å
676	V	91.1	Very high	89.5	Confident	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69.7	-31.4	-179.3	174.7	0	0	0	0	112.5	L296 M370 Q672 Y673 G674 V680 P687 A690	L296-V676 HydrophobicContact CD2-CG1 4.09Å; M370-V676 HydrophobicContact CE-CG1 4.03Å; Q672-V676 WeakPolarHBondContact O-CG2 3.43Å; Q672-V676 PolarHBondContact O-N 3.35Å; Y673-V676 PolarHBondContact O-N 3.35Å; G674-V676 VanDerWaalsContact C-N 3.33Å; G674-V676 PolarHBondContact O-N 2.83Å; V676-V680 WeakPolarHBondContact O-CB 3.45Å; V676-P687 HydrophobicContact CG1-CB 4.24Å; V676-P687 HydrophobicContact CG1-CG 3.99Å; V676-A690 HydrophobicContact CG2-CB 3.44Å; V676-A690 VanDerWaalsContact CG2-CB 3.44Å
677	S	92.3	Very high	89.6	Confident	5 Å²	5	4.9 Å²	4.9	4%	0.035	3%	0.025	C	C	.	.	H	α-helix	trans	-94.6	-43.2	-176	58.9	0	0	0	0	113.4	Y673 G674 S734 N738	Y673-S677 WeakPolarHBondContact O-CB 3.44Å; Y673-S677 PolarHBondContact O-N 2.88Å; Y673-S677 PolarHBondContact O-OG 3.02Å; G674-S677 PolarHBondContact O-N 3.13Å; G674-S677 PolarHBondContact O-OG 3.28Å; S677-S734 WeakPolarHBondContact O-CB 3.4Å; S677-N738 PolarHBondContact O-ND2 3.49Å
678	L	91.1	Very high	89.7	Confident	2 Å²	2	5.4 Å²	5.4	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-72.4	-34.6	-172.4	-71.6	163.8	0	0	0	113.8	F550 G674 I730 F733 T737 N738	F550-L678 HydrophobicContact CD2-CD1 4.06Å; F550-L678 HydrophobicContact CE1-CD1 4.37Å; F550-L678 HydrophobicContact CE2-CD1 3.76Å; F550-L678 HydrophobicContact CG-CD1 4.5Å; F550-L678 HydrophobicContact CZ-CD1 3.95Å; G674-L678 WeakPolarHBondContact O-CB 3.28Å; G674-L678 WeakPolarHBondContact O-CD1 3.23Å; G674-L678 WeakPolarHBondContact O-CG 3.39Å; G674-L678 PolarHBondContact O-N 3.43Å; L678-I730 HydrophobicContact CG-CG2 4.46Å; L678-F733 HydrophobicContact CD2-CB 4.46Å; L678-F733 HydrophobicContact CD2-CD1 3.38Å; L678-F733 HydrophobicContact CD2-CE1 3.92Å; L678-F733 HydrophobicContact CD2-CG 4.19Å; L678-T737 HydrophobicContact CB-CG2 4.44Å; L678-T737 HydrophobicContact CD2-CG2 4.47Å; L678-T737 WeakPolarHBondContact CD2-OG1 3.49Å; L678-T737 VanDerWaalsContact O-CG2 3.27Å; L678-T737 WeakPolarHBondContact O-CG2 3.38Å; L678-N738 PolarHBondContact O-OD1 3Å
679	F	89.4	Confident	89.9	Confident	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-118.7	14.9	-168.7	-59.4	-70.7	0	0	0	113.4	F550 I553 F554 L595 A681 S682 F683 T737	F550-F679 HydrophobicContact CD1-CE2 4.09Å; I553-F679 HydrophobicContact CB-CE1 4.41Å; I553-F679 HydrophobicContact CB-CE2 4.37Å; I553-F679 HydrophobicContact CB-CZ 4.05Å; I553-F679 HydrophobicContact CD1-CE2 4.44Å; I553-F679 HydrophobicContact CG2-CD1 3.74Å; I553-F679 HydrophobicContact CG2-CD2 4.05Å; I553-F679 HydrophobicContact CG2-CE1 3.46Å; I553-F679 VanDerWaalsContact CG2-CE1 3.46Å; I553-F679 HydrophobicContact CG2-CE2 3.78Å; I553-F679 HydrophobicContact CG2-CG 4.04Å; I553-F679 HydrophobicContact CG2-CZ 3.47Å; I553-F679 VanDerWaalsContact CG2-CZ 3.47Å; F554-F679 HydrophobicContact CD1-CE1 4.4Å; F554-F679 HydrophobicContact CD1-CZ 4.34Å; F554-F679 HydrophobicContact CD2-CZ 4.48Å; F554-F679 HydrophobicContact CE1-CE1 4.19Å; F554-F679 HydrophobicContact CE1-CZ 4.02Å; F554-F679 HydrophobicContact CE2-CZ 4.18Å; F554-F679 HydrophobicContact CZ-CE1 4.5Å; F554-F679 AromaticContact CZ-CZ 3.9Å; F554-F679 HydrophobicContact CZ-CZ 3.9Å; L595-F679 HydrophobicContact CD1-CB 3.46Å; L595-F679 VanDerWaalsContact CD1-CB 3.46Å; L595-F679 HydrophobicContact CD1-CD2 4.01Å; L595-F679 HydrophobicContact CD1-CG 3.95Å; F679-A681 VanDerWaalsContact C-N 3.25Å; F679-A681 PolarHBondContact O-N 2.86Å; F679-S682 PolarHBondContact O-N 3.3Å; F679-S682 PolarHBondContact O-OG 3.45Å; F679-F683 PolarHBondContact O-N 3.33Å; F679-T737 HydrophobicContact CD1-CG2 4.43Å; F679-T737 HydrophobicContact CE1-CG2 4.11Å
680	V	90.1	Very high	89.9	Confident	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.2	-174.3	75.1	0	0	0	0	113.8	F366 M370 V676 S682 F683 N738	F366-V680 HydrophobicContact CD1-CG2 3.92Å; F366-V680 HydrophobicContact CE1-CG2 3.33Å; F366-V680 HydrophobicContact CZ-CG2 4.17Å; M370-V680 HydrophobicContact CB-CG1 3.79Å; M370-V680 HydrophobicContact CB-CG2 4.49Å; M370-V680 HydrophobicContact CE-CG2 4.22Å; M370-V680 HydrophobicContact CG-CB 4.36Å; M370-V680 HydrophobicContact CG-CG1 3.89Å; M370-V680 HydrophobicContact CG-CG2 3.7Å; M370-V680 HydrophobicContact SD-CG2 4.35Å; V676-V680 WeakPolarHBondContact O-CB 3.45Å; V680-S682 PolarHBondContact O-N 3.35Å; V680-F683 CarbonylContact O-C 3.52Å; V680-F683 PolarHBondContact O-N 3.4Å; V680-N738 PolarHBondContact N-OD1 3.28Å
681	A	87.1	Confident	89.9	Confident	4 Å²	4	8.5 Å²	8.5	3%	0.033	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.4	174.5	0	0	0	0	0	113.1	A367 F679 N738 V741 I742	A367-A681 HydrophobicContact CB-CB 4.2Å; F679-A681 VanDerWaalsContact C-N 3.25Å; F679-A681 PolarHBondContact O-N 2.86Å; A681-N738 HydrophobicContact CB-CB 4.21Å; A681-N738 WeakPolarHBondContact CB-OD1 3.36Å; A681-N738 PolarHBondContact N-OD1 3.31Å; A681-V741 HydrophobicContact CB-CB 4.36Å; A681-V741 HydrophobicContact CB-CG1 3.94Å; A681-I742 HydrophobicContact CB-CD1 3.93Å; A681-I742 HydrophobicContact CB-CG1 3.63Å
682	S	84.9	Confident	89.8	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-32.7	176.1	69.7	0	0	0	0	112.9	C592 F679 V680	C592-S682 PolarHBondContact SG-O 3.27Å; F679-S682 PolarHBondContact O-N 3.3Å; F679-S682 PolarHBondContact O-OG 3.45Å; V680-S682 PolarHBondContact O-N 3.35Å
683	F	86.5	Confident	89.6	Confident	6 Å²	6	13.3 Å²	13.3	3%	0.026	7%	0.071	C	C	.	.			trans	-134.5	90.3	-173.7	-172.4	-124	0	0	0	112.1	F358 C592 L595 M599 F679 V680 L685 A686 F689	F358-F683 HydrophobicContact CD1-CD2 4.19Å; F358-F683 AromaticContact CE1-CD2 3.95Å; F358-F683 HydrophobicContact CE1-CD2 3.95Å; F358-F683 AromaticContact CE1-CE2 3.87Å; F358-F683 HydrophobicContact CE1-CE2 3.87Å; F358-F683 HydrophobicContact CZ-CE2 4.42Å; C592-F683 HydrophobicContact CB-CD2 4.38Å; L595-F683 HydrophobicContact CD2-CB 4.33Å; L595-F683 HydrophobicContact CD2-CD1 3.56Å; L595-F683 HydrophobicContact CD2-CE1 4.3Å; L595-F683 HydrophobicContact CD2-CG 4.25Å; M599-F683 HydrophobicContact CE-CE1 4.03Å; F679-F683 PolarHBondContact O-N 3.33Å; V680-F683 CarbonylContact O-C 3.52Å; V680-F683 PolarHBondContact O-N 3.4Å; F683-L685 HydrophobicContact CD2-CB 4.47Å; F683-L685 HydrophobicContact CE1-CB 4Å; F683-L685 HydrophobicContact CE2-CB 3.73Å; F683-L685 HydrophobicContact CE2-CD1 4.26Å; F683-L685 HydrophobicContact CE2-CG 4.44Å; F683-L685 HydrophobicContact CZ-CB 3.45Å; F683-L685 VanDerWaalsContact CZ-CB 3.45Å; F683-L685 HydrophobicContact CZ-CD1 4.44Å; F683-L685 PolarHBondContact O-N 3.42Å; F683-A686 HydrophobicContact CD1-CB 3.59Å; F683-A686 VanDerWaalsContact CD1-N 3.32Å; F683-A686 HydrophobicContact CE1-CB 4.17Å; F683-A686 VanDerWaalsContact CE1-N 3.32Å; F683-A686 WeakPolarHBondContact O-CB 3.28Å; F683-A686 PolarHBondContact O-N 2.9Å; F683-A686 VanDerWaalsContact O-N 3.16Å; F683-F689 AromaticContact CE1-CD2 3.65Å; F683-F689 HydrophobicContact CE1-CD2 3.65Å; F683-F689 AromaticContact CE1-CE2 3.82Å; F683-F689 HydrophobicContact CE1-CE2 3.82Å; F683-F689 AromaticContact CZ-CD2 3.76Å; F683-F689 HydrophobicContact CZ-CD2 3.76Å; F683-F689 AromaticContact CZ-CE2 3.4Å; F683-F689 HydrophobicContact CZ-CE2 3.4Å; F683-F689 VanDerWaalsContact CZ-CE2 3.4Å; F683-F689 HydrophobicContact CZ-CZ 4.3Å
684	P	89.2	Confident	89.4	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.3	-176.5	25.3	-34.8	0	0	0	114.4	G303 V306 F358 T363 F366 A686 P687	G303-P684 WeakPolarHBondContact CA-O 3.41Å; V306-P684 HydrophobicContact CG1-CB 4.23Å; V306-P684 HydrophobicContact CG1-CG 4.46Å; F358-P684 HydrophobicContact CD1-CG 4.34Å; T363-P684 HydrophobicContact CG2-CG 4.36Å; F366-P684 HydrophobicContact CD1-CB 3.9Å; F366-P684 HydrophobicContact CE1-CB 3.88Å; P684-A686 VanDerWaalsContact C-N 3.3Å; P684-P687 VanDerWaalsContact O-CD 3.29Å; P684-P687 WeakPolarHBondContact O-CD 3.44Å
685	L	88.8	Confident	89.2	Confident	25 Å²	25	15.8 Å²	15.8	13%	0.131	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-3.1	176.9	-66.6	172.7	0	0	0	113.2	I304 F307 F358 F683 P687 A688 F689	I304-L685 HydrophobicContact CG1-CD2 3.98Å; F307-L685 HydrophobicContact CB-CD1 4.47Å; F307-L685 HydrophobicContact CB-CD2 3.91Å; F307-L685 HydrophobicContact CB-CG 4.13Å; F307-L685 HydrophobicContact CD1-CD1 3.95Å; F307-L685 HydrophobicContact CD1-CD2 4.26Å; F307-L685 HydrophobicContact CD1-CG 4.46Å; F307-L685 HydrophobicContact CD2-CD1 3.84Å; F307-L685 HydrophobicContact CD2-CG 4.23Å; F307-L685 HydrophobicContact CE1-CD1 4.07Å; F307-L685 HydrophobicContact CE2-CD1 4Å; F307-L685 HydrophobicContact CG-CD1 3.82Å; F307-L685 HydrophobicContact CG-CD2 4.07Å; F307-L685 HydrophobicContact CG-CG 4.02Å; F307-L685 HydrophobicContact CZ-CD1 4.1Å; F358-L685 HydrophobicContact CE1-CD1 4.44Å; F683-L685 HydrophobicContact CD2-CB 4.47Å; F683-L685 HydrophobicContact CE1-CB 4Å; F683-L685 HydrophobicContact CE2-CB 3.73Å; F683-L685 HydrophobicContact CE2-CD1 4.26Å; F683-L685 HydrophobicContact CE2-CG 4.44Å; F683-L685 HydrophobicContact CZ-CB 3.45Å; F683-L685 VanDerWaalsContact CZ-CB 3.45Å; F683-L685 HydrophobicContact CZ-CD1 4.44Å; F683-L685 PolarHBondContact O-N 3.42Å; L685-P687 VanDerWaalsContact C-CD 3.48Å; L685-A688 WeakPolarHBondContact O-CB 3.26Å; L685-A688 PolarHBondContact O-N 2.86Å; L685-F689 PolarHBondContact O-N 3.48Å
686	A	89.4	Confident	89.1	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-52.4	-46.9	179.4	0	0	0	0	0	113.2	F683 P684 A688 F689 A690	F683-A686 HydrophobicContact CD1-CB 3.59Å; F683-A686 VanDerWaalsContact CD1-N 3.32Å; F683-A686 HydrophobicContact CE1-CB 4.17Å; F683-A686 VanDerWaalsContact CE1-N 3.32Å; F683-A686 WeakPolarHBondContact O-CB 3.28Å; F683-A686 PolarHBondContact O-N 2.9Å; F683-A686 VanDerWaalsContact O-N 3.16Å; P684-A686 VanDerWaalsContact C-N 3.3Å; A686-A688 VanDerWaalsContact C-N 3.26Å; A686-A688 PolarHBondContact O-N 3.3Å; A686-F689 PolarHBondContact O-N 2.83Å; A686-A690 WeakPolarHBondContact O-CB 3.49Å; A686-A690 PolarHBondContact O-N 2.93Å
687	P	92.6	Very high	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-28	179.4	-18.6	31.9	0	0	0	113.3	L296 P299 S300 F366 M370 V676 P684 L685 L691	L296-P687 HydrophobicContact CD2-CB 4.17Å; P299-P687 HydrophobicContact CB-CB 3.71Å; P299-P687 HydrophobicContact CB-CG 3.96Å; S300-P687 VanDerWaalsContact OG-C 3.25Å; S300-P687 PolarHBondContact OG-O 3.12Å; F366-P687 HydrophobicContact CZ-CG 4.16Å; M370-P687 HydrophobicContact CE-CG 4.25Å; M370-P687 HydrophobicContact SD-CG 4.41Å; V676-P687 HydrophobicContact CG1-CB 4.24Å; V676-P687 HydrophobicContact CG1-CG 3.99Å; P684-P687 VanDerWaalsContact O-CD 3.29Å; P684-P687 WeakPolarHBondContact O-CD 3.44Å; L685-P687 VanDerWaalsContact C-CD 3.48Å; P687-L691 VanDerWaalsContact O-CB 3.29Å; P687-L691 WeakPolarHBondContact O-CB 3.48Å; P687-L691 PolarHBondContact O-N 2.83Å
688	A	91.5	Very high	88.6	Confident	20 Å²	20	18.1 Å²	18.1	17%	0.165	10%	0.097	C	C	.	.	H	α-helix	trans	-70.9	-42.8	178.4	0	0	0	0	0	111.5	I304 L685 A686 L691 L692	I304-A688 HydrophobicContact CD1-CB 4.35Å; I304-A688 HydrophobicContact CG1-CB 4.41Å; L685-A688 WeakPolarHBondContact O-CB 3.26Å; L685-A688 PolarHBondContact O-N 2.86Å; A686-A688 VanDerWaalsContact C-N 3.26Å; A686-A688 PolarHBondContact O-N 3.3Å; A688-L691 PolarHBondContact O-N 3.45Å; A688-L692 PolarHBondContact O-N 3.17Å; A688-L692 VanDerWaalsContact O-N 3.1Å
689	F	88.6	Confident	88.4	Confident	61 Å²	61	18.4 Å²	18.4	27%	0.268	10%	0.098	S	C	.	.	H	α-helix	trans	-67.8	-39.3	173.7	-66.4	-21.1	0	0	0	111.9	M599 L600 F683 L685 A686 L691 L692 N693	M599-F689 HydrophobicContact CE-CB 3.47Å; M599-F689 VanDerWaalsContact CE-CB 3.47Å; M599-F689 HydrophobicContact CE-CD2 3.56Å; M599-F689 HydrophobicContact CE-CG 4.02Å; M599-F689 HydrophobicContact SD-CB 4.42Å; L600-F689 HydrophobicContact CD1-CD2 4.47Å; L600-F689 HydrophobicContact CD1-CE2 4.23Å; L600-F689 HydrophobicContact CD2-CB 4.41Å; L600-F689 HydrophobicContact CD2-CD2 4.26Å; L600-F689 HydrophobicContact CD2-CG 4.2Å; L600-F689 HydrophobicContact CG-CD2 4.43Å; F683-F689 AromaticContact CE1-CD2 3.65Å; F683-F689 HydrophobicContact CE1-CD2 3.65Å; F683-F689 AromaticContact CE1-CE2 3.82Å; F683-F689 HydrophobicContact CE1-CE2 3.82Å; F683-F689 AromaticContact CZ-CD2 3.76Å; F683-F689 HydrophobicContact CZ-CD2 3.76Å; F683-F689 AromaticContact CZ-CE2 3.4Å; F683-F689 HydrophobicContact CZ-CE2 3.4Å; F683-F689 VanDerWaalsContact CZ-CE2 3.4Å; F683-F689 HydrophobicContact CZ-CZ 4.3Å; L685-F689 PolarHBondContact O-N 3.48Å; A686-F689 PolarHBondContact O-N 2.83Å; F689-L691 VanDerWaalsContact C-N 3.34Å; F689-L691 PolarHBondContact O-N 3.38Å; F689-L692 PolarHBondContact O-N 3.2Å; F689-N693 WeakPolarHBondContact O-CB 3.32Å; F689-N693 VanDerWaalsContact O-CG 3.24Å; F689-N693 PolarHBondContact O-N 3.35Å; F689-N693 PolarHBondContact O-OD1 3.46Å
690	A	89.4	Confident	88.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-41.1	173.9	0	0	0	0	0	112.5	L296 Q672 V676 A686 N693 N694	L296-A690 HydrophobicContact CD1-CB 4.22Å; Q672-A690 HydrophobicContact CG-CB 4.38Å; Q672-A690 VanDerWaalsContact NE2-CA 3.3Å; Q672-A690 PolarHBondContact NE2-O 3.44Å; V676-A690 HydrophobicContact CG2-CB 3.44Å; V676-A690 VanDerWaalsContact CG2-CB 3.44Å; A686-A690 WeakPolarHBondContact O-CB 3.49Å; A686-A690 PolarHBondContact O-N 2.93Å; A690-N693 PolarHBondContact O-N 3.38Å; A690-N694 VanDerWaalsContact O-CG 3.25Å; A690-N694 PolarHBondContact O-N 2.86Å; A690-N694 PolarHBondContact O-OD1 3.48Å
691	L	91.5	Very high	88.1	Confident	38 Å²	38	18.9 Å²	18.9	20%	0.199	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-45.5	175.5	-178.8	70.3	0	0	0	111.8	T293 L296 I297 P687 A688 F689 N693 N694 V695	T293-L691 HydrophobicContact CG2-CD1 3.77Å; T293-L691 VanDerWaalsContact O-CD1 3.25Å; T293-L691 WeakPolarHBondContact O-CD1 3.49Å; L296-L691 HydrophobicContact CB-CB 4.42Å; L296-L691 HydrophobicContact CB-CD1 4.05Å; I297-L691 HydrophobicContact CG1-CD1 3.87Å; I297-L691 HydrophobicContact CG1-CD2 4.14Å; P687-L691 VanDerWaalsContact O-CB 3.29Å; P687-L691 WeakPolarHBondContact O-CB 3.48Å; P687-L691 PolarHBondContact O-N 2.83Å; A688-L691 PolarHBondContact O-N 3.45Å; F689-L691 VanDerWaalsContact C-N 3.34Å; F689-L691 PolarHBondContact O-N 3.38Å; L691-N693 VanDerWaalsContact C-N 3.32Å; L691-N693 PolarHBondContact O-N 3.07Å; L691-N694 PolarHBondContact O-N 3.43Å; L691-V695 VanDerWaalsContact O-CG2 3.31Å; L691-V695 WeakPolarHBondContact O-CG2 3.07Å; L691-V695 PolarHBondContact O-N 3.46Å; L691-V695 VanDerWaalsContact O-N 3.07Å
692	L	88.3	Confident	88.1	Confident	101 Å²	101	18.7 Å²	18.7	53%	0.529	10%	0.099	S	C	.	.	H	α-helix	trans	-60.5	-45.1	177.3	-179.2	64.5	0	0	0	111.1	A688 F689 V695 I696	A688-L692 PolarHBondContact O-N 3.17Å; A688-L692 VanDerWaalsContact O-N 3.1Å; F689-L692 PolarHBondContact O-N 3.2Å; L692-V695 PolarHBondContact O-N 3.33Å; L692-I696 HydrophobicContact CD1-CD1 4.44Å; L692-I696 HydrophobicContact CG-CD1 4.37Å; L692-I696 WeakPolarHBondContact O-CG1 3.33Å; L692-I696 PolarHBondContact O-N 3.32Å
693	N	86.3	Confident	88.2	Confident	9 Å²	9	19.4 Å²	19.4	5%	0.048	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-49.9	178.1	-70.7	-6.2	0	0	0	110.6	Q603 F689 A690 L691 V695 I696 E697	Q603-N693 HydrophobicContact CB-CB 4.47Å; Q603-N693 WeakPolarHBondContact CB-ND2 3.26Å; Q603-N693 HydrophobicContact CG-CB 3.94Å; Q603-N693 PolarHBondContact OE1-ND2 3.49Å; F689-N693 WeakPolarHBondContact O-CB 3.32Å; F689-N693 VanDerWaalsContact O-CG 3.24Å; F689-N693 PolarHBondContact O-N 3.35Å; F689-N693 PolarHBondContact O-OD1 3.46Å; A690-N693 PolarHBondContact O-N 3.38Å; L691-N693 VanDerWaalsContact C-N 3.32Å; L691-N693 PolarHBondContact O-N 3.07Å; N693-V695 VanDerWaalsContact C-N 3.31Å; N693-V695 PolarHBondContact O-N 2.9Å; N693-I696 PolarHBondContact O-N 2.74Å; N693-I696 VanDerWaalsContact O-N 3.12Å; N693-E697 VanDerWaalsContact O-CB 3.31Å; N693-E697 WeakPolarHBondContact O-CB 3.44Å; N693-E697 PolarHBondContact O-N 2.82Å
694	N	88.8	Confident	88.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-37.1	-179.8	-70.5	15.7	0	0	0	113.6	Y292 T293 L296 Q672 A690 L691 I696 E697 I698	Y292-N694 WeakPolarHBondContact CD1-ND2 3.2Å; Y292-N694 WeakPolarHBondContact CE1-ND2 3.12Å; T293-N694 HydrophobicContact CG2-CB 4.04Å; T293-N694 WeakPolarHBondContact OG1-CB 3.42Å; T293-N694 PolarHBondContact OG1-ND2 3.42Å; L296-N694 WeakPolarHBondContact CD1-ND2 3.46Å; Q672-N694 VanDerWaalsContact CD-OD1 3.3Å; Q672-N694 PolarHBondContact NE2-OD1 2.69Å; Q672-N694 PolarHBondContact OE1-OD1 3.32Å; A690-N694 VanDerWaalsContact O-CG 3.25Å; A690-N694 PolarHBondContact O-N 2.86Å; A690-N694 PolarHBondContact O-OD1 3.48Å; L691-N694 PolarHBondContact O-N 3.43Å; N694-I696 VanDerWaalsContact C-N 3.3Å; N694-I696 PolarHBondContact O-N 3.49Å; N694-E697 PolarHBondContact O-N 2.79Å; N694-I698 WeakPolarHBondContact O-CD1 3.49Å; N694-I698 VanDerWaalsContact O-CG1 3.23Å; N694-I698 WeakPolarHBondContact O-CG1 3.1Å; N694-I698 PolarHBondContact O-N 2.85Å
695	V	88.1	Confident	88.1	Confident	51 Å²	51	21.4 Å²	21.4	31%	0.309	11%	0.114	S	C	.	.	H	α-helix	trans	-64.7	-38.2	178.6	169.2	0	0	0	0	111.2	T293 L691 L692 N693	T293-V695 HydrophobicContact CG2-CG2 3.97Å; L691-V695 VanDerWaalsContact O-CG2 3.31Å; L691-V695 WeakPolarHBondContact O-CG2 3.07Å; L691-V695 PolarHBondContact O-N 3.46Å; L691-V695 VanDerWaalsContact O-N 3.07Å; L692-V695 PolarHBondContact O-N 3.33Å; N693-V695 VanDerWaalsContact C-N 3.31Å; N693-V695 PolarHBondContact O-N 2.9Å
696	I	85.3	Confident	88.1	Confident	48 Å²	48	20.2 Å²	20.2	25%	0.246	11%	0.108	C	C	.	.	H	α-helix	trans	-71.5	-46.8	174.6	-63.2	169.8	0	0	0	109.4	L692 N693 N694 I698 R699 L700	L692-I696 HydrophobicContact CD1-CD1 4.44Å; L692-I696 HydrophobicContact CG-CD1 4.37Å; L692-I696 WeakPolarHBondContact O-CG1 3.33Å; L692-I696 PolarHBondContact O-N 3.32Å; N693-I696 PolarHBondContact O-N 2.74Å; N693-I696 VanDerWaalsContact O-N 3.12Å; N694-I696 VanDerWaalsContact C-N 3.3Å; N694-I696 PolarHBondContact O-N 3.49Å; I696-I698 PolarHBondContact O-N 2.84Å; I696-R699 WeakPolarHBondContact O-CB 3.14Å; I696-R699 PolarHBondContact O-N 2.85Å; I696-L700 HydrophobicContact CG2-CD1 3.68Å; I696-L700 HydrophobicContact CG2-CG 3.98Å; I696-L700 PolarHBondContact O-N 3.38Å
697	E	85.9	Confident	87.8	Confident	6 Å²	6	21.4 Å²	21.4	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-48.8	-175.7	-163.9	71.3	177.6	0	0	113	N607 M669 N693 N694 R699 L700 D701	N607-E697 PolarHBondContact ND2-OE1 2.78Å; N607-E697 PolarHBondContact ND2-OE2 2.78Å; M669-E697 HydrophobicContact CE-CG 3.65Å; M669-E697 HydrophobicContact SD-CG 4.14Å; N693-E697 VanDerWaalsContact O-CB 3.31Å; N693-E697 WeakPolarHBondContact O-CB 3.44Å; N693-E697 PolarHBondContact O-N 2.82Å; N694-E697 PolarHBondContact O-N 2.79Å; E697-R699 PolarHBondContact O-N 2.81Å; E697-L700 PolarHBondContact O-N 2.81Å; E697-D701 WeakPolarHBondContact O-CB 3.3Å; E697-D701 PolarHBondContact O-N 2.93Å
698	I	87.8	Confident	87.3	Confident	9 Å²	9	23.2 Å²	23.2	5%	0.046	12%	0.124	C	C	.	.	H	α-helix	trans	-50.2	-34.9	177	-73.8	161	0	0	0	111.1	Q269 L289 T293 N694 I696 A702	Q269-I698 HydrophobicContact CG-CG2 4.13Å; Q269-I698 VanDerWaalsContact NE2-CD1 3.33Å; L289-I698 HydrophobicContact CD2-CB 4.36Å; L289-I698 HydrophobicContact CD2-CG1 3.42Å; L289-I698 VanDerWaalsContact CD2-CG1 3.42Å; L289-I698 HydrophobicContact CG-CD1 4.19Å; L289-I698 HydrophobicContact CG-CG1 3.58Å; T293-I698 HydrophobicContact CG2-CD1 4.19Å; T293-I698 WeakPolarHBondContact OG1-CD1 3.36Å; N694-I698 WeakPolarHBondContact O-CD1 3.49Å; N694-I698 VanDerWaalsContact O-CG1 3.23Å; N694-I698 WeakPolarHBondContact O-CG1 3.1Å; N694-I698 PolarHBondContact O-N 2.85Å; I696-I698 PolarHBondContact O-N 2.84Å; I698-A702 WeakPolarHBondContact O-CB 3.45Å; I698-A702 PolarHBondContact O-N 2.9Å
699	R	87.4	Confident	87	Confident	8 Å²	8	22.8 Å²	22.8	3%	0.03	12%	0.118	C	C	.	.	H	α-helix	trans	-87.5	-36	-178	-53.9	-58.4	174.6	174.5	-0	112.4	W259 Y262 V264 M265 K267 I696 E697 A702 A703	W259-R699 WeakPolarHBondContact O-CD 3.16Å; W259-R699 PolarHBondContact O-NH1 2.88Å; Y262-R699 HydrophobicContact CD1-CB 4.37Å; V264-R699 PolarHBondContact O-NH2 3.43Å; V264-R699 VanDerWaalsContact O-NH2 3.1Å; M265-R699 HydrophobicContact CG-CG 4.08Å; M265-R699 PolarHBondContact O-NH2 3.47Å; K267-R699 PolarHBondContact O-NH2 3.02Å; I696-R699 WeakPolarHBondContact O-CB 3.14Å; I696-R699 PolarHBondContact O-N 2.85Å; E697-R699 PolarHBondContact O-N 2.81Å; R699-A702 PolarHBondContact O-N 3.13Å; R699-A703 WeakPolarHBondContact O-CB 3.09Å; R699-A703 PolarHBondContact O-N 3.48Å
700	L	85.1	Confident	87	Confident	8 Å²	8	21.3 Å²	21.3	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-51.3	172.9	-71.6	177.3	0	0	0	110.7	Y262 N607 N608 I612 I696 E697 A702 A703 K704	Y262-L700 HydrophobicContact CE1-CD2 4Å; Y262-L700 WeakPolarHBondContact OH-CD2 3.32Å; N607-L700 HydrophobicContact CB-CD1 4.47Å; N608-L700 WeakPolarHBondContact OD1-CD1 3.36Å; I612-L700 HydrophobicContact CD1-CD2 3.46Å; I612-L700 VanDerWaalsContact CD1-CD2 3.46Å; I612-L700 HydrophobicContact CG1-CD2 4Å; I696-L700 HydrophobicContact CG2-CD1 3.68Å; I696-L700 HydrophobicContact CG2-CG 3.98Å; I696-L700 PolarHBondContact O-N 3.38Å; E697-L700 PolarHBondContact O-N 2.81Å; L700-A702 PolarHBondContact O-N 3.12Å; L700-A703 PolarHBondContact O-N 3.24Å; L700-A703 VanDerWaalsContact O-N 3.13Å; L700-K704 WeakPolarHBondContact O-CB 3.24Å; L700-K704 PolarHBondContact O-N 2.98Å
701	D	86.8	Confident	87	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-56.9	-50.8	174.7	-77.7	-15.5	0	0	0	110.5	Y285 F286 E697 A703 K704 F705	Y285-D701 WeakPolarHBondContact CE1-OD2 3.46Å; Y285-D701 PolarHBondContact OH-OD2 3.08Å; F286-D701 HydrophobicContact CE1-CB 3.67Å; F286-D701 HydrophobicContact CZ-CB 3.79Å; E697-D701 WeakPolarHBondContact O-CB 3.3Å; E697-D701 PolarHBondContact O-N 2.93Å; D701-A703 VanDerWaalsContact C-N 3.26Å; D701-A703 PolarHBondContact O-N 3.39Å; D701-K704 WeakPolarHBondContact O-CB 3.28Å; D701-K704 PolarHBondContact O-N 2.86Å; D701-K704 VanDerWaalsContact O-N 3.14Å; D701-F705 HydrophobicContact CB-CD2 4.47Å; D701-F705 WeakPolarHBondContact O-CB 3.47Å; D701-F705 VanDerWaalsContact O-CD2 3.24Å; D701-F705 WeakPolarHBondContact O-CD2 3.49Å; D701-F705 PolarHBondContact O-N 2.85Å
702	A	89	Confident	87	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.1	-42.2	177.7	0	0	0	0	0	112.7	W259 A260 I698 R699 L700 V706	W259-A702 HydrophobicContact CD2-CB 3.58Å; W259-A702 HydrophobicContact CE3-CB 3.76Å; W259-A702 HydrophobicContact CG-CB 4.27Å; W259-A702 HydrophobicContact CH2-CB 3.66Å; W259-A702 HydrophobicContact CZ2-CB 3.46Å; W259-A702 VanDerWaalsContact CZ2-CB 3.46Å; W259-A702 HydrophobicContact CZ3-CB 3.8Å; A260-A702 HydrophobicContact CB-CB 3.97Å; I698-A702 WeakPolarHBondContact O-CB 3.45Å; I698-A702 PolarHBondContact O-N 2.9Å; R699-A702 PolarHBondContact O-N 3.13Å; L700-A702 PolarHBondContact O-N 3.12Å; A702-V706 WeakPolarHBondContact O-CB 3.46Å; A702-V706 WeakPolarHBondContact O-CG2 3.26Å; A702-V706 PolarHBondContact O-N 2.91Å
703	A	86.2	Confident	86.9	Confident	16 Å²	16	18.4 Å²	18.4	13%	0.132	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-42.8	177.5	0	0	0	0	0	112.1	R699 L700 D701 V706 T707	R699-A703 WeakPolarHBondContact O-CB 3.09Å; R699-A703 PolarHBondContact O-N 3.48Å; L700-A703 PolarHBondContact O-N 3.24Å; L700-A703 VanDerWaalsContact O-N 3.13Å; D701-A703 VanDerWaalsContact C-N 3.26Å; D701-A703 PolarHBondContact O-N 3.39Å; A703-V706 PolarHBondContact O-N 3.35Å; A703-T707 WeakPolarHBondContact O-CB 3.28Å; A703-T707 PolarHBondContact O-N 3.3Å; A703-T707 PolarHBondContact O-OG1 3.04Å
704	K	85.9	Confident	86.9	Confident	46 Å²	46	18.3 Å²	18.3	20%	0.2	10%	0.096	C	C	.	.	I	π-helix	trans	-57.8	-52.8	174.1	175.8	-180	176.4	-167.6	0	111	E611 E665 L700 D701 V706 T707 E708 I709	E611-K704 HydrophobicContact CG-CD 4.2Å; E611-K704 WeakPolarHBondContact OE1-CD 3.28Å; E611-K704 WeakPolarHBondContact OE1-CE 3.16Å; E611-K704 IonicContact OE1-NZ 3.77Å; E611-K704 PolarHBondContact OE1-NZ 3.39Å; E665-K704 IonicContact OE1-NZ 3.41Å; E665-K704 PolarHBondContact OE1-NZ 3.4Å; L700-K704 WeakPolarHBondContact O-CB 3.24Å; L700-K704 PolarHBondContact O-N 2.98Å; D701-K704 WeakPolarHBondContact O-CB 3.28Å; D701-K704 PolarHBondContact O-N 2.86Å; D701-K704 VanDerWaalsContact O-N 3.14Å; K704-V706 VanDerWaalsContact C-N 3.31Å; K704-V706 PolarHBondContact O-N 2.92Å; K704-T707 PolarHBondContact O-N 2.9Å; K704-E708 PolarHBondContact O-N 3.34Å; K704-I709 HydrophobicContact CG-CG2 3.91Å; K704-I709 PolarHBondContact O-N 3.35Å; K704-I709 VanDerWaalsContact O-N 3.16Å
705	F	88.1	Confident	86.6	Confident	1 Å²	1	22 Å²	22	0%	0.004	12%	0.118	C	C	.	.	I	π-helix	trans	-60.3	-36.1	179.3	-85.3	-85.4	0	0	0	113.3	F278 I282 F286 F659 D701 I709	F278-F705 HydrophobicContact CZ-CB 4.14Å; F278-F705 WeakPolarHBondContact CZ-O 3.33Å; I282-F705 HydrophobicContact CD1-CD1 4.28Å; I282-F705 HydrophobicContact CD1-CE1 3.83Å; I282-F705 HydrophobicContact CG1-CE1 4.11Å; I282-F705 HydrophobicContact CG2-CD1 4.29Å; I282-F705 HydrophobicContact CG2-CE1 4.17Å; F286-F705 HydrophobicContact CE2-CD2 4.11Å; F286-F705 HydrophobicContact CE2-CE2 4.35Å; F286-F705 HydrophobicContact CE2-CG 4.47Å; F286-F705 AromaticContact CZ-CD2 3.8Å; F286-F705 HydrophobicContact CZ-CD2 3.8Å; F286-F705 HydrophobicContact CZ-CE2 4.14Å; F286-F705 HydrophobicContact CZ-CG 4.5Å; F659-F705 HydrophobicContact CD2-CE1 4.19Å; F659-F705 AromaticContact CE2-CE1 3.63Å; F659-F705 HydrophobicContact CE2-CE1 3.63Å; F659-F705 AromaticContact CE2-CZ 3.92Å; F659-F705 HydrophobicContact CE2-CZ 3.92Å; F659-F705 HydrophobicContact CZ-CE1 4.47Å; D701-F705 HydrophobicContact CB-CD2 4.47Å; D701-F705 WeakPolarHBondContact O-CB 3.47Å; D701-F705 VanDerWaalsContact O-CD2 3.24Å; D701-F705 WeakPolarHBondContact O-CD2 3.49Å; D701-F705 PolarHBondContact O-N 2.85Å; F705-I709 HydrophobicContact CB-CD1 4.18Å; F705-I709 HydrophobicContact CD1-CD1 3.27Å; F705-I709 HydrophobicContact CD1-CG1 4.5Å; F705-I709 HydrophobicContact CE1-CD1 3.7Å; F705-I709 HydrophobicContact CG-CD1 3.83Å; F705-I709 WeakPolarHBondContact O-CG1 3.33Å
706	V	88.2	Confident	86.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-88.4	-29.8	-176.5	174.7	0	0	0	0	113.1	R252 L255 H256 W259 A260 F278 A702 A703 K704	R252-V706 HydrophobicContact CG-CG1 4.04Å; R252-V706 VanDerWaalsContact CZ-O 3.23Å; R252-V706 PolarHBondContact NE-O 3.49Å; R252-V706 PolarHBondContact NH2-O 3.44Å; L255-V706 HydrophobicContact CB-CG2 4.4Å; H256-V706 HydrophobicContact CB-CG1 3.99Å; W259-V706 HydrophobicContact CE3-CG2 4.28Å; W259-V706 HydrophobicContact CZ3-CG2 4.02Å; A260-V706 HydrophobicContact CB-CB 4.21Å; A260-V706 HydrophobicContact CB-CG2 4.13Å; F278-V706 HydrophobicContact CE2-CG2 4.25Å; F278-V706 HydrophobicContact CZ-CG2 4.15Å; A702-V706 WeakPolarHBondContact O-CB 3.46Å; A702-V706 WeakPolarHBondContact O-CG2 3.26Å; A702-V706 PolarHBondContact O-N 2.91Å; A703-V706 PolarHBondContact O-N 3.35Å; K704-V706 VanDerWaalsContact C-N 3.31Å; K704-V706 PolarHBondContact O-N 2.92Å
707	T	83.3	Confident	86	Confident	26 Å²	26	21.6 Å²	21.6	16%	0.16	11%	0.113	C	C	.	.	I	π-helix	trans	-120.8	-28	-167.3	69.1	0	0	0	0	116	F240 A703 K704	F240-T707 HydrophobicContact CD2-CG2 4.23Å; F240-T707 HydrophobicContact CG-CG2 4.33Å; A703-T707 WeakPolarHBondContact O-CB 3.28Å; A703-T707 PolarHBondContact O-N 3.3Å; A703-T707 PolarHBondContact O-OG1 3.04Å; K704-T707 PolarHBondContact O-N 2.9Å
708	E	82.4	Confident	85.8	Confident	39 Å²	39	23.8 Å²	23.8	18%	0.182	12%	0.123	C	C	.	.	I	π-helix	trans	-110.4	-33.6	-168.6	-56.4	-163.5	161.5	0	0	113.3	E657 K704	E657-E708 PolarHBondContact N-O 3.3Å; K704-E708 PolarHBondContact O-N 3.34Å
709	I	85.8	Confident	85.6	Confident	11 Å²	11	25.8 Å²	25.8	6%	0.056	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-92.9	156.1	178.8	72.4	171.6	0	0	0	112.5	F659 K704 F705	F659-I709 HydrophobicContact CD2-CD1 4.05Å; K704-I709 HydrophobicContact CG-CG2 3.91Å; K704-I709 PolarHBondContact O-N 3.35Å; K704-I709 VanDerWaalsContact O-N 3.16Å; F705-I709 HydrophobicContact CB-CD1 4.18Å; F705-I709 HydrophobicContact CD1-CD1 3.27Å; F705-I709 HydrophobicContact CD1-CG1 4.5Å; F705-I709 HydrophobicContact CE1-CD1 3.7Å; F705-I709 HydrophobicContact CG-CD1 3.83Å; F705-I709 WeakPolarHBondContact O-CG1 3.33Å
710	R	88.1	Confident	85.5	Confident	30 Å²	30	26 Å²	26	11%	0.113	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.2	164.6	-67.2	179.4	-166.6	-178	4.7	110.6	S231 D653 F654 L656 E657 P712	S231-R710 PolarHBondContact OG-NH1 3.1Å; D653-R710 VanDerWaalsContact O-CG 3.29Å; D653-R710 WeakPolarHBondContact O-CG 3.34Å; D653-R710 PolarHBondContact O-NE 3.08Å; F654-R710 PolarHBondContact O-NH2 3.45Å; L656-R710 HydrophobicContact CB-CG 3.72Å; L656-R710 PolarHBondContact O-NE 3.03Å; L656-R710 PolarHBondContact O-NH2 3.25Å; E657-R710 WeakPolarHBondContact O-CG 3.49Å; E657-R710 PolarHBondContact O-N 2.95Å; R710-P712 VanDerWaalsContact O-CD 3.29Å; R710-P712 WeakPolarHBondContact O-CD 3.37Å
711	R	89.6	Confident	85.5	Confident	10 Å²	10	26.7 Å²	26.7	4%	0.038	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-60	121.3	174.4	-169.6	179.5	-176.4	165.7	6.3	109.6	P234 L235 H236 D237 Y277	P234-R711 WeakPolarHBondContact CD-O 3.37Å; P234-R711 HydrophobicContact CG-CB 4.12Å; P234-R711 HydrophobicContact CG-CG 4.05Å; P234-R711 WeakPolarHBondContact CG-O 3.46Å; L235-R711 WeakPolarHBondContact O-CD 3.35Å; L235-R711 PolarHBondContact O-NH1 3.38Å; H236-R711 PolarHBondContact NE2-N 3.38Å; D237-R711 IonicContact OD1-NH1 3.66Å; Y277-R711 PolarHBondContact O-NE 3.36Å; Y277-R711 PolarHBondContact O-NH2 2.92Å
712	P	90	Very high	85.6	Confident	7 Å²	7	28.1 Å²	28.1	5%	0.045	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-75	159.5	173.6	29.9	-32.7	0	0	0	111.2	F278 I282 F659 R710	F278-P712 HydrophobicContact CD1-CG 4.02Å; I282-P712 HydrophobicContact CD1-CB 4.06Å; I282-P712 HydrophobicContact CD1-CG 3.27Å; F659-P712 HydrophobicContact CB-CB 4.24Å; F659-P712 HydrophobicContact CD1-CB 3.58Å; F659-P712 HydrophobicContact CD2-CB 4.33Å; F659-P712 HydrophobicContact CE1-CB 3.89Å; F659-P712 HydrophobicContact CG-CB 3.79Å; F659-P712 HydrophobicContact CZ-CB 4.4Å; R710-P712 VanDerWaalsContact O-CD 3.29Å; R710-P712 WeakPolarHBondContact O-CD 3.37Å
713	D	86.6	Confident	85.8	Confident	60 Å²	60	28.5 Å²	28.5	32%	0.321	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-70.3	139.2	172.2	-69.2	-46.7	0	0	0	111.1	Y8 P234 V715	Y8-D713 WeakPolarHBondContact CE2-OD1 3.47Å; Y8-D713 PolarHBondContact OH-OD1 3.47Å; Y8-D713 VanDerWaalsContact OH-OD1 3.13Å; Y8-D713 PolarHBondContact OH-OD2 3.45Å; Y8-D713 VanDerWaalsContact OH-OD2 3.05Å; P234-D713 VanDerWaalsContact CD-OD1 3.31Å; P234-D713 WeakPolarHBondContact CD-OD1 3.45Å; P234-D713 WeakPolarHBondContact CG-OD1 3.34Å; D713-V715 PolarHBondContact O-N 3.26Å
714	A	86.6	Confident	86.1	Confident	8 Å²	8	29.8 Å²	29.8	7%	0.066	16%	0.155	C	C	.	.			trans	-78.4	93.3	-177.2	0	0	0	0	0	110.4	A195 R199	A195-A714 HydrophobicContact CB-CB 3.91Å; R199-A714 HydrophobicContact CB-CB 4.48Å; R199-A714 WeakPolarHBondContact CD-O 3.3Å; R199-A714 VanDerWaalsContact CG-O 3.32Å; R199-A714 WeakPolarHBondContact CG-O 3.19Å
715	V	82.7	Confident	86.4	Confident	76 Å²	76	32.4 Å²	32.4	46%	0.461	17%	0.171	S	C	.	.			trans	-87.1	130.8	176.3	-175.8	0	0	0	0	110.6	Q281 D713	Q281-V715 HydrophobicContact CB-CB 4.46Å; Q281-V715 PolarHBondContact N-O 3.07Å; D713-V715 PolarHBondContact O-N 3.26Å
716	R	81.9	Confident	86.6	Confident	56 Å²	56	33 Å²	33	21%	0.211	17%	0.174	C	C	.	.			trans	-80.4	125.1	173.3	-75.9	-169.6	-72.7	171.8	2.4	109.3	R199 E280 L394 L397 E400	R199-R716 VanDerWaalsContact NH1-CD 3.28Å; R199-R716 VanDerWaalsContact NH1-CG 3.29Å; E280-R716 WeakPolarHBondContact OE2-CG 3.02Å; L394-R716 HydrophobicContact CD2-CB 4.49Å; L397-R716 HydrophobicContact CD1-CB 4Å; L397-R716 HydrophobicContact CD2-CB 4.41Å; L397-R716 VanDerWaalsContact CD2-CZ 3.47Å; E400-R716 IonicContact OE1-NH1 3.94Å; E400-R716 IonicContact OE1-NH2 3.78Å; E400-R716 IonicContact OE2-CZ 2.74Å; E400-R716 VanDerWaalsContact OE2-CZ 3.27Å; E400-R716 IonicContact OE2-NH1 2.83Å; E400-R716 PolarHBondContact OE2-NH1 2.64Å; E400-R716 IonicContact OE2-NH2 3.3Å; E400-R716 PolarHBondContact OE2-NH2 2.95Å
717	C	79	Confident	86.9	Confident	35 Å²	35	33 Å²	33	24%	0.236	17%	0.174	C	C	.	.			trans	-134.9	138.8	176.1	-166	0	0	0	0	110.8	Q281 L394 D719	Q281-C717 HydrophobicContact CB-CB 4.26Å; L394-C717 VanDerWaalsContact CD1-O 3.23Å; L394-C717 WeakPolarHBondContact CD1-O 3.5Å; C717-D719 PolarHBondContact SG-O 2.89Å
718	K	80.5	Confident	87.3	Confident	53 Å²	53	33.2 Å²	33.2	23%	0.23	18%	0.176	C	C	.	.	S	Bend	trans	-90.5	-25.7	-175.8	71.4	-170.7	175.4	-166.3	0	113.1	E401	E401-K718 WeakPolarHBondContact OE1-CD 3.43Å; E401-K718 VanDerWaalsContact OE1-CE 3.29Å; E401-K718 WeakPolarHBondContact OE1-CE 3.47Å; E401-K718 IonicContact OE1-NZ 2.8Å; E401-K718 PolarHBondContact OE1-NZ 2.92Å; E401-K718 IonicContact OE2-NZ 3.03Å; E401-K718 PolarHBondContact OE2-NZ 3.41Å
719	D	84.6	Confident	87.7	Confident	51 Å²	51	33.2 Å²	33.2	27%	0.273	19%	0.187	S	C	.	.	S	Bend	trans	-152.6	170.5	-172.5	63.2	-37.8	0	0	0	111.7	L284 C717 G721	L284-D719 WeakPolarHBondContact CD2-O 3.39Å; C717-D719 PolarHBondContact SG-O 2.89Å; D719-G721 PolarHBondContact O-N 2.95Å
720	I	85.4	Confident	88.1	Confident	11 Å²	11	33.3 Å²	33.3	6%	0.056	19%	0.187	C	C	.	.			trans	-75.4	0.6	175.7	60.5	171.3	0	0	0	112.3	L284 W381 Y666 W723 L727	L284-I720 HydrophobicContact CD2-CG2 3.76Å; L284-I720 HydrophobicContact CG-CG2 4Å; W381-I720 HydrophobicContact CZ2-CG2 3.65Å; Y666-I720 HydrophobicContact CE1-CG2 4.32Å; I720-W723 HydrophobicContact CB-CB 4.46Å; I720-W723 HydrophobicContact CD1-CB 4.16Å; I720-W723 HydrophobicContact CG1-CB 4.36Å; I720-L727 HydrophobicContact CD1-CD1 4.31Å
721	G	85.6	Confident	88.3	Confident	23 Å²	23	32.5 Å²	32.5	24%	0.237	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-139.5	-179.7	0	0	0	0	0	113.5	D719 W723 Y724	D719-G721 PolarHBondContact O-N 2.95Å; G721-W723 PolarHBondContact O-N 3.34Å; G721-Y724 PolarHBondContact O-N 3.21Å
722	I	89.1	Confident	88.3	Confident	31 Å²	31	38.9 Å²	38.9	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-25.5	-176.4	-169.2	61.9	0	0	0	114.1	I538 Y724 N725 I726	I538-I722 HydrophobicContact CB-CG2 4.04Å; I538-I722 HydrophobicContact CD1-CG2 4.12Å; I538-I722 HydrophobicContact CG2-CG2 3.51Å; I722-Y724 PolarHBondContact O-N 3.41Å; I722-N725 HydrophobicContact CD1-CB 4.23Å; I722-N725 WeakPolarHBondContact O-CB 3.01Å; I722-N725 PolarHBondContact O-N 2.98Å; I722-I726 HydrophobicContact CG1-CD1 4.24Å; I722-I726 HydrophobicContact CG1-CG1 4.47Å; I722-I726 PolarHBondContact O-N 2.84Å
723	W	92.4	Very high	88.4	Confident	9 Å²	9	43.1 Å²	43.1	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-59.2	-33	179.6	-65.2	122.6	0	0	0	113.2	I538 F542 S663 Y666 M667 I670 I720 G721 N725 I726 L727	I538-W723 HydrophobicContact CB-CZ2 4.37Å; I538-W723 HydrophobicContact CD1-CZ2 4.37Å; I538-W723 HydrophobicContact CG1-CZ2 4.07Å; I538-W723 HydrophobicContact CG2-CD2 3.94Å; I538-W723 HydrophobicContact CG2-CE3 3.92Å; I538-W723 HydrophobicContact CG2-CH2 3.52Å; I538-W723 HydrophobicContact CG2-CZ2 3.43Å; I538-W723 VanDerWaalsContact CG2-CZ2 3.43Å; I538-W723 HydrophobicContact CG2-CZ3 3.75Å; F542-W723 HydrophobicContact CB-CZ3 4.45Å; F542-W723 HydrophobicContact CD2-CZ3 4.29Å; S663-W723 WeakPolarHBondContact O-CZ2 3.28Å; Y666-W723 AromaticContact CD2-NE1 3.87Å; Y666-W723 AromaticContact CG-CD1 3.99Å; Y666-W723 HydrophobicContact CG-CG 4.49Å; Y666-W723 AromaticContact CG-NE1 3.83Å; M667-W723 HydrophobicContact CB-CH2 3.78Å; M667-W723 HydrophobicContact CB-CZ2 4.48Å; M667-W723 HydrophobicContact CG-CH2 4.25Å; I670-W723 HydrophobicContact CD1-CB 3.76Å; I670-W723 HydrophobicContact CD1-CD2 3.45Å; I670-W723 VanDerWaalsContact CD1-CD2 3.45Å; I670-W723 HydrophobicContact CD1-CE3 3.07Å; I670-W723 HydrophobicContact CD1-CG 3.79Å; I670-W723 HydrophobicContact CD1-CZ3 3.7Å; I670-W723 HydrophobicContact CG1-CE3 4.38Å; I720-W723 HydrophobicContact CB-CB 4.46Å; I720-W723 HydrophobicContact CD1-CB 4.16Å; I720-W723 HydrophobicContact CG1-CB 4.36Å; G721-W723 PolarHBondContact O-N 3.34Å; W723-N725 PolarHBondContact O-N 3.47Å; W723-I726 HydrophobicContact CE3-CD1 3.65Å; W723-I726 HydrophobicContact CZ3-CD1 3.99Å; W723-I726 PolarHBondContact O-N 3.29Å; W723-L727 WeakPolarHBondContact O-CB 3.3Å; W723-L727 WeakPolarHBondContact O-CG 3.47Å; W723-L727 PolarHBondContact O-N 3.38Å
724	Y	92.2	Very high	88.7	Confident	42 Å²	42	40.4 Å²	40.4	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-43.5	174.7	-179.1	-98.9	0	0	0	111.7	L378 K382 G721 I722 I726 L727 C728	L378-Y724 HydrophobicContact CB-CE2 4.38Å; L378-Y724 HydrophobicContact CD2-CD2 4.49Å; L378-Y724 HydrophobicContact CD2-CE2 4.03Å; K382-Y724 HydrophobicContact CD-CE2 4.36Å; K382-Y724 WeakPolarHBondContact CE-OH 3.45Å; K382-Y724 HydrophobicContact CG-CE2 3.91Å; K382-Y724 PolarHBondContact NZ-OH 3.09Å; G721-Y724 PolarHBondContact O-N 3.21Å; I722-Y724 PolarHBondContact O-N 3.41Å; Y724-I726 VanDerWaalsContact C-N 3.34Å; Y724-L727 PolarHBondContact O-N 2.9Å; Y724-C728 WeakPolarHBondContact O-CB 3.41Å; Y724-C728 PolarHBondContact O-N 3.3Å
725	N	92.1	Very high	89	Confident	101 Å²	101	40.2 Å²	40.2	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-40.1	178.4	-66.7	-33.1	0	0	0	111.2	I722 W723 C728 G729	I722-N725 HydrophobicContact CD1-CB 4.23Å; I722-N725 WeakPolarHBondContact O-CB 3.01Å; I722-N725 PolarHBondContact O-N 2.98Å; W723-N725 PolarHBondContact O-N 3.47Å; N725-C728 PolarHBondContact O-N 3.35Å; N725-G729 PolarHBondContact O-N 3.01Å
726	I	93.3	Very high	89.5	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-49.5	174.9	-68.7	168.8	0	0	0	110.7	I538 F542 I670 I722 W723 Y724 C728 G729 I730	I538-I726 HydrophobicContact CG2-CD1 4.17Å; F542-I726 HydrophobicContact CB-CD1 4.29Å; F542-I726 HydrophobicContact CD1-CD1 4.11Å; F542-I726 HydrophobicContact CD1-CG1 4.32Å; F542-I726 HydrophobicContact CD1-CG2 3.84Å; F542-I726 HydrophobicContact CD2-CG2 4.1Å; F542-I726 HydrophobicContact CE1-CG2 3.49Å; F542-I726 VanDerWaalsContact CE1-CG2 3.49Å; F542-I726 HydrophobicContact CE2-CG2 3.77Å; F542-I726 HydrophobicContact CG-CD1 4.1Å; F542-I726 HydrophobicContact CG-CG2 4.15Å; F542-I726 HydrophobicContact CZ-CG2 3.47Å; F542-I726 VanDerWaalsContact CZ-CG2 3.47Å; I670-I726 HydrophobicContact CG2-CG2 3.87Å; I722-I726 HydrophobicContact CG1-CD1 4.24Å; I722-I726 HydrophobicContact CG1-CG1 4.47Å; I722-I726 PolarHBondContact O-N 2.84Å; W723-I726 HydrophobicContact CE3-CD1 3.65Å; W723-I726 HydrophobicContact CZ3-CD1 3.99Å; W723-I726 PolarHBondContact O-N 3.29Å; Y724-I726 VanDerWaalsContact C-N 3.34Å; I726-C728 VanDerWaalsContact C-N 3.31Å; I726-C728 PolarHBondContact O-N 3.48Å; I726-G729 WeakPolarHBondContact O-CA 3Å; I726-G729 PolarHBondContact O-N 3.1Å; I726-G729 VanDerWaalsContact O-N 3.09Å; I726-I730 HydrophobicContact CG2-CD1 3.86Å; I726-I730 HydrophobicContact CG2-CG1 4.35Å; I726-I730 WeakPolarHBondContact O-CG1 3.38Å; I726-I730 PolarHBondContact O-N 3.12Å
727	L	93.3	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-40.4	177.8	-74	168.3	0	0	0	112.3	W288 L378 I670 Y673 I720 W723 Y724 S731	W288-L727 HydrophobicContact CZ2-CD1 3.92Å; W288-L727 HydrophobicContact CZ2-CD2 4.4Å; L378-L727 HydrophobicContact CD2-CB 3.84Å; I670-L727 HydrophobicContact CG1-CD2 4.08Å; I670-L727 HydrophobicContact CG1-CG 4.37Å; I670-L727 HydrophobicContact CG2-CD2 4.22Å; Y673-L727 HydrophobicContact CD1-CD2 3.45Å; Y673-L727 VanDerWaalsContact CD1-CD2 3.45Å; Y673-L727 HydrophobicContact CD2-CD2 4.48Å; Y673-L727 HydrophobicContact CE1-CD2 3.84Å; Y673-L727 HydrophobicContact CG-CD2 3.82Å; I720-L727 HydrophobicContact CD1-CD1 4.31Å; W723-L727 WeakPolarHBondContact O-CB 3.3Å; W723-L727 WeakPolarHBondContact O-CG 3.47Å; W723-L727 PolarHBondContact O-N 3.38Å; Y724-L727 PolarHBondContact O-N 2.9Å; L727-S731 WeakPolarHBondContact O-CB 3.34Å; L727-S731 PolarHBondContact O-N 2.97Å; L727-S731 PolarHBondContact O-OG 3.44Å
728	C	91.9	Very high	90.6	Very high	30 Å²	30	35.2 Å²	35.2	20%	0.203	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-42.6	174.1	-174.7	0	0	0	0	111.7	L378 Y724 N725 I726 S731 K732	L378-C728 HydrophobicContact CD1-CB 4.42Å; Y724-C728 WeakPolarHBondContact O-CB 3.41Å; Y724-C728 PolarHBondContact O-N 3.3Å; N725-C728 PolarHBondContact O-N 3.35Å; I726-C728 VanDerWaalsContact C-N 3.31Å; I726-C728 PolarHBondContact O-N 3.48Å; C728-S731 PolarHBondContact O-N 3.48Å; C728-K732 WeakPolarHBondContact O-CG 3.34Å; C728-K732 PolarHBondContact O-N 3.49Å; C728-K732 VanDerWaalsContact O-N 3.13Å
729	G	92.1	Very high	91.2	Very high	39 Å²	39	32.7 Å²	32.7	40%	0.402	18%	0.177	S	C	.	.	H	α-helix	trans	-60.2	-50.8	174.7	0	0	0	0	0	112.8	N725 I726 S731 K732 F733	N725-G729 PolarHBondContact O-N 3.01Å; I726-G729 WeakPolarHBondContact O-CA 3Å; I726-G729 PolarHBondContact O-N 3.1Å; I726-G729 VanDerWaalsContact O-N 3.09Å; G729-S731 VanDerWaalsContact C-N 3.31Å; G729-S731 PolarHBondContact O-N 2.62Å; G729-K732 PolarHBondContact O-N 3.07Å; G729-F733 WeakPolarHBondContact O-CB 3.46Å; G729-F733 PolarHBondContact O-N 3.32Å
730	I	93.1	Very high	91.6	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-43.9	177.1	-64.4	169.5	0	0	0	110.7	F542 I670 Y673 L678 I726 K732 F733 S734	F542-I730 HydrophobicContact CE2-CD1 4.09Å; F542-I730 HydrophobicContact CZ-CD1 3.64Å; F542-I730 HydrophobicContact CZ-CG1 4.09Å; I670-I730 HydrophobicContact CG2-CD1 3.69Å; Y673-I730 HydrophobicContact CD1-CG2 4.01Å; Y673-I730 HydrophobicContact CE1-CB 4.37Å; Y673-I730 HydrophobicContact CE1-CG2 4Å; L678-I730 HydrophobicContact CG-CG2 4.46Å; I726-I730 HydrophobicContact CG2-CD1 3.86Å; I726-I730 HydrophobicContact CG2-CG1 4.35Å; I726-I730 WeakPolarHBondContact O-CG1 3.38Å; I726-I730 PolarHBondContact O-N 3.12Å; I730-K732 VanDerWaalsContact C-N 3.32Å; I730-K732 PolarHBondContact O-N 3.03Å; I730-F733 PolarHBondContact O-N 3.29Å; I730-S734 WeakPolarHBondContact O-CB 3.35Å; I730-S734 PolarHBondContact O-N 2.89Å
731	S	92.3	Very high	91.8	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-31.4	-178	-55.6	0	0	0	0	113.3	Y673 L727 C728 G729 S734	Y673-S731 PolarHBondContact OH-OG 3Å; L727-S731 WeakPolarHBondContact O-CB 3.34Å; L727-S731 PolarHBondContact O-N 2.97Å; L727-S731 PolarHBondContact O-OG 3.44Å; C728-S731 PolarHBondContact O-N 3.48Å; G729-S731 VanDerWaalsContact C-N 3.31Å; G729-S731 PolarHBondContact O-N 2.62Å; S731-S734 PolarHBondContact O-OG 3.24Å
732	K	90.6	Very high	92	Very high	144 Å²	144	32.4 Å²	32.4	63%	0.626	17%	0.167	S	C	*	.	H	α-helix	trans	-75.9	-40.9	173	-70.5	174.1	-178	176.5	0	111.3	C728 G729 I730 S734 V735	C728-K732 WeakPolarHBondContact O-CG 3.34Å; C728-K732 PolarHBondContact O-N 3.49Å; C728-K732 VanDerWaalsContact O-N 3.13Å; G729-K732 PolarHBondContact O-N 3.07Å; I730-K732 VanDerWaalsContact C-N 3.32Å; I730-K732 PolarHBondContact O-N 3.03Å; K732-S734 VanDerWaalsContact C-N 3.31Å; K732-S734 PolarHBondContact O-N 3.44Å; K732-V735 PolarHBondContact O-N 2.86Å
733	F	91.6	Very high	92.1	Very high	96 Å²	96	31 Å²	31	42%	0.421	16%	0.159	S	C	.	.	H	α-helix	trans	-65.3	-35.8	178	-173.2	-125.8	0	0	0	112	F554 L678 G729 I730 V735 I736 T737	F554-F733 HydrophobicContact CE1-CE1 4.43Å; F554-F733 HydrophobicContact CE1-CZ 4.42Å; F554-F733 HydrophobicContact CE2-CE1 4.39Å; F554-F733 AromaticContact CZ-CE1 3.66Å; F554-F733 HydrophobicContact CZ-CE1 3.66Å; F554-F733 HydrophobicContact CZ-CZ 4Å; L678-F733 HydrophobicContact CD2-CB 4.46Å; L678-F733 HydrophobicContact CD2-CD1 3.38Å; L678-F733 HydrophobicContact CD2-CE1 3.92Å; L678-F733 HydrophobicContact CD2-CG 4.19Å; G729-F733 WeakPolarHBondContact O-CB 3.46Å; G729-F733 PolarHBondContact O-N 3.32Å; I730-F733 PolarHBondContact O-N 3.29Å; F733-V735 VanDerWaalsContact C-N 3.32Å; F733-V735 PolarHBondContact O-N 2.92Å; F733-I736 WeakPolarHBondContact O-CB 3.47Å; F733-I736 PolarHBondContact O-N 3.12Å; F733-I736 VanDerWaalsContact O-N 3.08Å; F733-T737 PolarHBondContact O-N 3.31Å; F733-T737 PolarHBondContact O-OG1 3.29Å
734	S	92.9	Very high	91.9	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-33.2	178.8	70.9	0	0	0	0	114.2	S677 I730 S731 K732 I736 T737 N738	S677-S734 WeakPolarHBondContact O-CB 3.4Å; I730-S734 WeakPolarHBondContact O-CB 3.35Å; I730-S734 PolarHBondContact O-N 2.89Å; S731-S734 PolarHBondContact O-OG 3.24Å; K732-S734 VanDerWaalsContact C-N 3.31Å; K732-S734 PolarHBondContact O-N 3.44Å; S734-I736 VanDerWaalsContact C-N 3.29Å; S734-I736 PolarHBondContact O-N 2.86Å; S734-T737 PolarHBondContact O-N 3.15Å; S734-N738 WeakPolarHBondContact O-CB 3.37Å; S734-N738 PolarHBondContact O-N 2.89Å; S734-N738 PolarHBondContact O-ND2 2.94Å
735	V	92.7	Very high	91.6	Very high	5 Å²	5	31 Å²	31	3%	0.03	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-43.8	173.6	175.6	0	0	0	0	110.6	K732 F733 A739 Q834 A837 M838	K732-V735 PolarHBondContact O-N 2.86Å; F733-V735 VanDerWaalsContact C-N 3.32Å; F733-V735 PolarHBondContact O-N 2.92Å; V735-A739 WeakPolarHBondContact O-CB 3.45Å; V735-A739 PolarHBondContact O-N 3.38Å; V735-Q834 HydrophobicContact CG1-CG 4.45Å; V735-A837 HydrophobicContact CG1-CB 3.59Å; V735-A837 HydrophobicContact CG2-CB 4.47Å; V735-M838 HydrophobicContact CG1-CG 4.17Å
736	I	92.8	Very high	91.3	Very high	53 Å²	53	26.5 Å²	26.5	27%	0.272	14%	0.139	S	C	.	.	H	α-helix	trans	-67.5	-51.5	178.7	-59.5	174.2	0	0	0	109.3	F733 S734 N738 A739 F740 Q834	F733-I736 WeakPolarHBondContact O-CB 3.47Å; F733-I736 PolarHBondContact O-N 3.12Å; F733-I736 VanDerWaalsContact O-N 3.08Å; S734-I736 VanDerWaalsContact C-N 3.29Å; S734-I736 PolarHBondContact O-N 2.86Å; I736-N738 PolarHBondContact O-N 3.15Å; I736-A739 WeakPolarHBondContact O-CB 3.39Å; I736-A739 PolarHBondContact O-N 3.08Å; I736-A739 VanDerWaalsContact O-N 3.14Å; I736-F740 HydrophobicContact CG2-CD2 3.7Å; I736-F740 HydrophobicContact CG2-CE2 3.67Å; I736-F740 WeakPolarHBondContact O-CD2 3.42Å; I736-F740 PolarHBondContact O-N 3.11Å; I736-Q834 HydrophobicContact CG1-CG 4.24Å
737	T	92.4	Very high	90.9	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-57.2	-46.8	-179	-52	0	0	0	0	112	F554 F558 L678 F679 F733 S734 A739 F740 V741	F554-T737 HydrophobicContact CE1-CG2 3.88Å; F554-T737 HydrophobicContact CZ-CG2 4.45Å; F558-T737 HydrophobicContact CE2-CG2 4.31Å; F558-T737 HydrophobicContact CZ-CG2 4.21Å; L678-T737 HydrophobicContact CB-CG2 4.44Å; L678-T737 HydrophobicContact CD2-CG2 4.47Å; L678-T737 WeakPolarHBondContact CD2-OG1 3.49Å; L678-T737 VanDerWaalsContact O-CG2 3.27Å; L678-T737 WeakPolarHBondContact O-CG2 3.38Å; F679-T737 HydrophobicContact CD1-CG2 4.43Å; F679-T737 HydrophobicContact CE1-CG2 4.11Å; F733-T737 PolarHBondContact O-N 3.31Å; F733-T737 PolarHBondContact O-OG1 3.29Å; S734-T737 PolarHBondContact O-N 3.15Å; T737-A739 VanDerWaalsContact C-N 3.34Å; T737-A739 PolarHBondContact O-N 3.31Å; T737-F740 PolarHBondContact O-N 2.74Å; T737-V741 HydrophobicContact CG2-CG2 4.34Å; T737-V741 VanDerWaalsContact O-CG2 3.32Å; T737-V741 WeakPolarHBondContact O-CG2 3.35Å; T737-V741 PolarHBondContact O-N 2.98Å
738	N	92.6	Very high	90.6	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-38.3	178.4	-74.5	-52.3	0	0	0	112.3	S677 L678 V680 A681 S734 I736 F740 V741 I742	S677-N738 PolarHBondContact O-ND2 3.49Å; L678-N738 PolarHBondContact O-OD1 3Å; V680-N738 PolarHBondContact N-OD1 3.28Å; A681-N738 HydrophobicContact CB-CB 4.21Å; A681-N738 WeakPolarHBondContact CB-OD1 3.36Å; A681-N738 PolarHBondContact N-OD1 3.31Å; S734-N738 WeakPolarHBondContact O-CB 3.37Å; S734-N738 PolarHBondContact O-N 2.89Å; S734-N738 PolarHBondContact O-ND2 2.94Å; I736-N738 PolarHBondContact O-N 3.15Å; N738-F740 VanDerWaalsContact C-N 3.35Å; N738-F740 PolarHBondContact O-N 3.49Å; N738-V741 PolarHBondContact O-N 3.16Å; N738-I742 VanDerWaalsContact O-CG1 3.27Å; N738-I742 WeakPolarHBondContact O-CG1 3.48Å; N738-I742 PolarHBondContact O-N 2.62Å
739	A	93.1	Very high	90.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-45.2	175	0	0	0	0	0	111.6	V735 I736 T737 S743 V830 F833	V735-A739 WeakPolarHBondContact O-CB 3.45Å; V735-A739 PolarHBondContact O-N 3.38Å; I736-A739 WeakPolarHBondContact O-CB 3.39Å; I736-A739 PolarHBondContact O-N 3.08Å; I736-A739 VanDerWaalsContact O-N 3.14Å; T737-A739 VanDerWaalsContact C-N 3.34Å; T737-A739 PolarHBondContact O-N 3.31Å; A739-S743 VanDerWaalsContact O-CB 3.22Å; A739-S743 WeakPolarHBondContact O-CB 3.4Å; A739-S743 PolarHBondContact O-N 3.17Å; A739-V830 HydrophobicContact CB-CG1 4.17Å; A739-V830 HydrophobicContact CB-CG2 4.49Å; A739-F833 HydrophobicContact CB-CB 4.4Å; A739-F833 HydrophobicContact CB-CD1 3.53Å; A739-F833 HydrophobicContact CB-CE1 4.15Å; A739-F833 HydrophobicContact CB-CG 4.23Å
740	F	92.1	Very high	90.4	Very high	76 Å²	76	26.1 Å²	26.1	33%	0.333	12%	0.124	S	C	.	.	H	α-helix	trans	-65.9	-42.5	176.5	-84.9	-87.8	0	0	0	111.5	F558 I736 T737 N738 S743 F744 V830	F558-F740 HydrophobicContact CD1-CB 4.45Å; F558-F740 HydrophobicContact CE1-CB 3.52Å; F558-F740 HydrophobicContact CZ-CB 3.78Å; I736-F740 HydrophobicContact CG2-CD2 3.7Å; I736-F740 HydrophobicContact CG2-CE2 3.67Å; I736-F740 WeakPolarHBondContact O-CD2 3.42Å; I736-F740 PolarHBondContact O-N 3.11Å; T737-F740 PolarHBondContact O-N 2.74Å; N738-F740 VanDerWaalsContact C-N 3.35Å; N738-F740 PolarHBondContact O-N 3.49Å; F740-S743 PolarHBondContact O-N 3.27Å; F740-F744 AromaticContact CD1-CD2 3.48Å; F740-F744 HydrophobicContact CD1-CD2 3.48Å; F740-F744 VanDerWaalsContact CD1-CD2 3.48Å; F740-F744 AromaticContact CD1-CE2 3.52Å; F740-F744 HydrophobicContact CD1-CE2 3.52Å; F740-F744 HydrophobicContact CE1-CD2 4.11Å; F740-F744 AromaticContact CE1-CE2 3.65Å; F740-F744 HydrophobicContact CE1-CE2 3.65Å; F740-F744 HydrophobicContact CG-CD2 4.38Å; F740-F744 VanDerWaalsContact O-CB 3.26Å; F740-F744 WeakPolarHBondContact O-CB 3.32Å; F740-F744 PolarHBondContact O-N 3.09Å; F740-V830 HydrophobicContact CD2-CG1 4.3Å; F740-V830 HydrophobicContact CE2-CG1 4Å; F740-V830 HydrophobicContact CZ-CG1 4.29Å
741	V	90.3	Very high	90.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.126	C	C	.	.	I	π-helix	trans	-56.9	-53.2	175.7	170	0	0	0	0	110.3	F558 A681 T737 N738 S743 T745 S746	F558-V741 HydrophobicContact CE1-CG2 4.19Å; F558-V741 HydrophobicContact CZ-CG2 3.8Å; A681-V741 HydrophobicContact CB-CB 4.36Å; A681-V741 HydrophobicContact CB-CG1 3.94Å; T737-V741 HydrophobicContact CG2-CG2 4.34Å; T737-V741 VanDerWaalsContact O-CG2 3.32Å; T737-V741 WeakPolarHBondContact O-CG2 3.35Å; T737-V741 PolarHBondContact O-N 2.98Å; N738-V741 PolarHBondContact O-N 3.16Å; V741-S743 VanDerWaalsContact C-N 3.31Å; V741-S743 PolarHBondContact O-N 2.77Å; V741-T745 WeakPolarHBondContact CA-OG1 3.4Å; V741-T745 WeakPolarHBondContact CG1-OG1 3.38Å; V741-T745 WeakPolarHBondContact O-CA 3.38Å; V741-T745 PolarHBondContact O-N 3.36Å; V741-T745 PolarHBondContact O-OG1 3Å; V741-S746 PolarHBondContact O-N 3.44Å
742	I	90.2	Very high	90	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	14%	0.137	C	C	.	.	I	π-helix	trans	-62.7	-38.5	-178.2	-63.1	165.5	0	0	0	111.9	V364 A367 A681 N738 S746 F748 F829 F833	V364-I742 HydrophobicContact CG1-CD1 4.4Å; V364-I742 HydrophobicContact CG2-CD1 4.47Å; V364-I742 HydrophobicContact CG2-CG2 3.88Å; A367-I742 HydrophobicContact CB-CD1 3.81Å; A681-I742 HydrophobicContact CB-CD1 3.93Å; A681-I742 HydrophobicContact CB-CG1 3.63Å; N738-I742 VanDerWaalsContact O-CG1 3.27Å; N738-I742 WeakPolarHBondContact O-CG1 3.48Å; N738-I742 PolarHBondContact O-N 2.62Å; I742-S746 WeakPolarHBondContact O-CB 3.35Å; I742-F748 HydrophobicContact CG2-CB 4.43Å; I742-F748 HydrophobicContact CG2-CD1 4.14Å; I742-F829 HydrophobicContact CB-CE1 3.9Å; I742-F829 HydrophobicContact CB-CZ 4.43Å; I742-F829 HydrophobicContact CG2-CD1 4.45Å; I742-F829 HydrophobicContact CG2-CE1 3.46Å; I742-F829 VanDerWaalsContact CG2-CE1 3.46Å; I742-F829 HydrophobicContact CG2-CZ 3.62Å; I742-F833 HydrophobicContact CD1-CE2 4.01Å; I742-F833 HydrophobicContact CD1-CZ 4.17Å
743	S	91.1	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-76.8	-42.6	-176.2	-177	0	0	0	0	113	A739 F740 V741 R826 V830	A739-S743 VanDerWaalsContact O-CB 3.22Å; A739-S743 WeakPolarHBondContact O-CB 3.4Å; A739-S743 PolarHBondContact O-N 3.17Å; F740-S743 PolarHBondContact O-N 3.27Å; V741-S743 VanDerWaalsContact C-N 3.31Å; V741-S743 PolarHBondContact O-N 2.77Å; S743-R826 WeakPolarHBondContact O-CD 3.46Å; S743-R826 WeakPolarHBondContact O-CG 3.33Å; S743-R826 PolarHBondContact O-NE 3.18Å; S743-R826 VanDerWaalsContact OG-C 3.22Å; S743-R826 WeakPolarHBondContact OG-CA 3.44Å; S743-R826 WeakPolarHBondContact OG-CB 3.49Å; S743-R826 WeakPolarHBondContact OG-CG 3.01Å; S743-R826 PolarHBondContact OG-O 3.11Å; S743-V830 VanDerWaalsContact CB-CG2 3.48Å
744	F	87.6	Confident	90	Very high	28 Å²	28	19.6 Å²	19.6	12%	0.123	9%	0.094	C	C	.	.	I	π-helix	trans	-105.2	-36.5	-167	-79.8	-65.5	0	0	0	113.1	R562 F740 L823 R826 L827 V830	R562-F744 PolarHBondContact NH2-O 2.96Å; F740-F744 AromaticContact CD1-CD2 3.48Å; F740-F744 HydrophobicContact CD1-CD2 3.48Å; F740-F744 VanDerWaalsContact CD1-CD2 3.48Å; F740-F744 AromaticContact CD1-CE2 3.52Å; F740-F744 HydrophobicContact CD1-CE2 3.52Å; F740-F744 HydrophobicContact CE1-CD2 4.11Å; F740-F744 AromaticContact CE1-CE2 3.65Å; F740-F744 HydrophobicContact CE1-CE2 3.65Å; F740-F744 HydrophobicContact CG-CD2 4.38Å; F740-F744 VanDerWaalsContact O-CB 3.26Å; F740-F744 WeakPolarHBondContact O-CB 3.32Å; F740-F744 PolarHBondContact O-N 3.09Å; F744-L823 HydrophobicContact CE1-CD1 4.19Å; F744-R826 HydrophobicContact CE1-CB 4.46Å; F744-L827 HydrophobicContact CZ-CD2 4.04Å; F744-V830 HydrophobicContact CE2-CG2 4.48Å
745	T	85.1	Confident	89.9	Confident	23 Å²	23	22.7 Å²	22.7	14%	0.141	11%	0.108	C	C	.	.	I	π-helix	trans	-98.6	-32	-174.2	75.5	0	0	0	0	112.6	A557 F558 V741	A557-T745 HydrophobicContact CB-CG2 4.22Å; A557-T745 WeakPolarHBondContact O-CG2 3.31Å; F558-T745 HydrophobicContact CD1-CG2 4.1Å; F558-T745 HydrophobicContact CE1-CG2 4.06Å; V741-T745 WeakPolarHBondContact CA-OG1 3.4Å; V741-T745 WeakPolarHBondContact CG1-OG1 3.38Å; V741-T745 WeakPolarHBondContact O-CA 3.38Å; V741-T745 PolarHBondContact O-N 3.36Å; V741-T745 PolarHBondContact O-OG1 3Å
746	S	86.6	Confident	89.8	Confident	8 Å²	8	31.2 Å²	31.2	6%	0.056	14%	0.141	C	C	.	.	S	Bend	trans	-80.7	156.1	172.3	157.9	0	0	0	0	112.2	D359 V741 I742 F748	D359-S746 VanDerWaalsContact CG-OG 3.27Å; D359-S746 WeakPolarHBondContact OD1-CB 3.25Å; D359-S746 PolarHBondContact OD1-OG 2.88Å; D359-S746 PolarHBondContact OD2-OG 3.27Å; V741-S746 PolarHBondContact O-N 3.44Å; I742-S746 WeakPolarHBondContact O-CB 3.35Å; S746-F748 VanDerWaalsContact C-N 3.3Å; S746-F748 VanDerWaalsContact OG-CB 3.26Å; S746-F748 WeakPolarHBondContact OG-CB 3.49Å; S746-F748 PolarHBondContact OG-N 2.9Å
747	E	84.2	Confident	89.6	Confident	18 Å²	18	34.8 Å²	34.8	8%	0.084	16%	0.158	C	C	.	.	S	Bend	trans	-90.6	6.9	175.1	-62.4	-168.3	170.8	0	0	113.5	D359 V749 P750 R751 K801	D359-E747 PolarHBondContact OD2-N 3.39Å; E747-V749 PolarHBondContact O-N 2.53Å; E747-P750 WeakPolarHBondContact O-CD 3.34Å; E747-R751 HydrophobicContact CB-CG 4.41Å; E747-R751 WeakPolarHBondContact O-CB 3.44Å; E747-R751 WeakPolarHBondContact O-CD 3.22Å; E747-R751 WeakPolarHBondContact O-CG 3.22Å; E747-R751 PolarHBondContact O-N 2.73Å; E747-R751 VanDerWaalsContact O-N 3.08Å; E747-R751 IonicContact OE2-CZ 3.04Å; E747-R751 IonicContact OE2-NE 3.87Å; E747-R751 PolarHBondContact OE2-NE 2.92Å; E747-R751 IonicContact OE2-NH2 3.95Å; E747-R751 PolarHBondContact OE2-NH2 3.33Å; E747-K801 IonicContact OE1-NZ 3.68Å; E747-K801 PolarHBondContact OE1-NZ 3.21Å; E747-K801 IonicContact OE2-NZ 2.69Å; E747-K801 PolarHBondContact OE2-NZ 3.25Å
748	F	88.3	Confident	89.4	Confident	51 Å²	51	38.2 Å²	38.2	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-56.8	-51.7	-179	-179.6	-101.5	0	0	0	112.8	V364 I742 S746 R751 M752 F829	V364-F748 HydrophobicContact CG2-CD1 4.1Å; V364-F748 HydrophobicContact CG2-CD2 4.01Å; V364-F748 HydrophobicContact CG2-CE1 4.2Å; V364-F748 HydrophobicContact CG2-CE2 4.11Å; V364-F748 HydrophobicContact CG2-CG 4Å; V364-F748 HydrophobicContact CG2-CZ 4.2Å; I742-F748 HydrophobicContact CG2-CB 4.43Å; I742-F748 HydrophobicContact CG2-CD1 4.14Å; S746-F748 VanDerWaalsContact C-N 3.3Å; S746-F748 VanDerWaalsContact OG-CB 3.26Å; S746-F748 WeakPolarHBondContact OG-CB 3.49Å; S746-F748 PolarHBondContact OG-N 2.9Å; F748-R751 PolarHBondContact O-N 3.27Å; F748-M752 HydrophobicContact CE1-SD 4.36Å; F748-M752 WeakPolarHBondContact O-CB 3.45Å; F748-M752 PolarHBondContact O-N 2.97Å; F748-F829 HydrophobicContact CD1-CE2 4.48Å; F748-F829 HydrophobicContact CE1-CE2 4.04Å; F748-F829 HydrophobicContact CE1-CZ 4.49Å
749	V	90.1	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-49	-176.9	179	0	0	0	0	112.3	E747 R751 M752 V753 A825 R826 F829	E747-V749 PolarHBondContact O-N 2.53Å; V749-R751 VanDerWaalsContact C-N 3.34Å; V749-R751 PolarHBondContact O-N 3.35Å; V749-M752 PolarHBondContact O-N 3.22Å; V749-V753 HydrophobicContact CG1-CG2 4.34Å; V749-V753 WeakPolarHBondContact O-CG2 3.43Å; V749-V753 PolarHBondContact O-N 3.49Å; V749-A825 HydrophobicContact CG1-CB 3.97Å; V749-R826 HydrophobicContact CB-CG 4.16Å; V749-R826 HydrophobicContact CG1-CG 3.81Å; V749-F829 HydrophobicContact CG2-CB 4.23Å; V749-F829 HydrophobicContact CG2-CD1 4.27Å; V749-F829 HydrophobicContact CG2-CG 4.08Å
750	P	89.1	Confident	88.7	Confident	6 Å²	6	42.9 Å²	42.9	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-40.3	175.8	-25.2	34.3	0	0	0	113.9	E747 V753 Y754 V822	E747-P750 WeakPolarHBondContact O-CD 3.34Å; P750-V753 PolarHBondContact O-N 3.28Å; P750-Y754 PolarHBondContact O-N 3.33Å; P750-V822 HydrophobicContact CB-CG1 4.38Å; P750-V822 HydrophobicContact CG-CG1 4.04Å
751	R	88.4	Confident	88.3	Confident	33 Å²	33	46.1 Å²	46.1	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-45.1	175.9	-72	172.6	-170.4	170.3	8.5	111.2	E747 F748 V749 Y754 Q755 M764 Y767	E747-R751 HydrophobicContact CB-CG 4.41Å; E747-R751 WeakPolarHBondContact O-CB 3.44Å; E747-R751 WeakPolarHBondContact O-CD 3.22Å; E747-R751 WeakPolarHBondContact O-CG 3.22Å; E747-R751 PolarHBondContact O-N 2.73Å; E747-R751 VanDerWaalsContact O-N 3.08Å; E747-R751 IonicContact OE2-CZ 3.04Å; E747-R751 IonicContact OE2-NE 3.87Å; E747-R751 PolarHBondContact OE2-NE 2.92Å; E747-R751 IonicContact OE2-NH2 3.95Å; E747-R751 PolarHBondContact OE2-NH2 3.33Å; F748-R751 PolarHBondContact O-N 3.27Å; V749-R751 VanDerWaalsContact C-N 3.34Å; V749-R751 PolarHBondContact O-N 3.35Å; R751-Y754 PolarHBondContact O-N 3.04Å; R751-Q755 PolarHBondContact O-N 3.49Å; R751-M764 HydrophobicContact CB-CE 3.87Å; R751-M764 HydrophobicContact CB-SD 4.4Å; R751-M764 WeakPolarHBondContact O-CE 3.28Å; R751-Y767 HydrophobicContact CB-CE2 4.46Å; R751-Y767 HydrophobicContact CG-CD1 4.45Å; R751-Y767 HydrophobicContact CG-CE1 3.83Å; R751-Y767 HydrophobicContact CG-CE2 3.92Å
752	M	89.1	Confident	87.9	Confident	65 Å²	65	47.7 Å²	47.7	32%	0.32	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-46.2	177	-172.3	-176.6	74.6	0	0	111.7	F748 V749 Y754 Q755 Y756	F748-M752 HydrophobicContact CE1-SD 4.36Å; F748-M752 WeakPolarHBondContact O-CB 3.45Å; F748-M752 PolarHBondContact O-N 2.97Å; V749-M752 PolarHBondContact O-N 3.22Å; M752-Y754 VanDerWaalsContact C-N 3.34Å; M752-Y754 PolarHBondContact O-N 3.48Å; M752-Q755 PolarHBondContact O-N 2.03Å; M752-Y756 HydrophobicContact CG-CD2 3.72Å; M752-Y756 HydrophobicContact CG-CE2 3.78Å; M752-Y756 VanDerWaalsContact O-CD2 3.25Å; M752-Y756 WeakPolarHBondContact O-CD2 3.12Å; M752-Y756 PolarHBondContact O-N 2.62Å; M752-Y756 VanDerWaalsContact O-N 3.11Å
753	V	91.9	Very high	87.9	Confident	8 Å²	8	50.7 Å²	50.7	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-42.6	178	171.2	0	0	0	0	111.3	V749 P750 M757 Y758 V822 A825	V749-V753 HydrophobicContact CG1-CG2 4.34Å; V749-V753 WeakPolarHBondContact O-CG2 3.43Å; V749-V753 PolarHBondContact O-N 3.49Å; P750-V753 PolarHBondContact O-N 3.28Å; V753-M757 HydrophobicContact CG1-CG 4.45Å; V753-M757 HydrophobicContact CG1-SD 4.04Å; V753-M757 WeakPolarHBondContact O-CB 3.01Å; V753-M757 PolarHBondContact O-N 3.26Å; V753-Y758 HydrophobicContact CG1-CD2 4.26Å; V753-Y758 HydrophobicContact CG1-CE2 3.88Å; V753-V822 HydrophobicContact CB-CG2 4.42Å; V753-V822 HydrophobicContact CG1-CG2 4.03Å; V753-A825 HydrophobicContact CG2-CB 3.5Å
754	Y	90.4	Very high	87.6	Confident	23 Å²	23	52.6 Å²	52.6	9%	0.09	28%	0.282	C	S	.	.	I	π-helix	trans	-60	-49	176.3	179.9	-102.8	0	0	0	111.8	P750 R751 M752 Y756 Y758 S759 M764 S765 G766 Y767 H770	P750-Y754 PolarHBondContact O-N 3.33Å; R751-Y754 PolarHBondContact O-N 3.04Å; M752-Y754 VanDerWaalsContact C-N 3.34Å; M752-Y754 PolarHBondContact O-N 3.48Å; Y754-Y756 VanDerWaalsContact C-N 3.34Å; Y754-Y756 PolarHBondContact O-N 3.03Å; Y754-Y758 CarbonylContact O-C 3.59Å; Y754-Y758 PolarHBondContact O-N 3.43Å; Y754-S759 PolarHBondContact O-N 3.4Å; Y754-M764 HydrophobicContact CD1-SD 4.37Å; Y754-S765 PolarHBondContact OH-O 3.33Å; Y754-G766 VanDerWaalsContact OH-C 3.26Å; Y754-G766 PolarHBondContact OH-O 3.47Å; Y754-Y767 AromaticContact CD1-CD2 3.79Å; Y754-Y767 HydrophobicContact CD1-CD2 3.79Å; Y754-Y767 HydrophobicContact CD1-CG 4.34Å; Y754-Y767 HydrophobicContact CD2-CD2 4.37Å; Y754-Y767 AromaticContact CG-CD2 3.7Å; Y754-Y767 HydrophobicContact CG-CD2 3.7Å; Y754-H770 HydrophobicContact CD2-CB 3.94Å; Y754-H770 AromaticContact CD2-CD2 3.88Å; Y754-H770 AromaticContact CD2-CE1 3.94Å; Y754-H770 AromaticContact CD2-CG 3.51Å; Y754-H770 AromaticContact CD2-ND1 3.55Å; Y754-H770 HydrophobicContact CE2-CB 3.45Å; Y754-H770 VanDerWaalsContact CE2-CB 3.45Å; Y754-H770 AromaticContact CE2-CD2 3.65Å; Y754-H770 AromaticContact CE2-CG 3.39Å; Y754-H770 AromaticContact CE2-ND1 3.94Å
755	Q	90.3	Very high	87.6	Confident	68 Å²	68	54 Å²	54	32%	0.318	30%	0.295	S	S	.	.	I	π-helix	trans	-60.3	-40.6	-178.1	-167.2	179	9.7	0	0	113.1	R751 M752 G762 M764	R751-Q755 PolarHBondContact O-N 3.49Å; M752-Q755 PolarHBondContact O-N 2.03Å; Q755-G762 VanDerWaalsContact CG-O 3.29Å; Q755-G762 WeakPolarHBondContact CG-O 3.36Å; Q755-G762 PolarHBondContact NE2-O 3.35Å; Q755-M764 HydrophobicContact CB-CE 3.79Å; Q755-M764 HydrophobicContact CB-SD 3.99Å; Q755-M764 HydrophobicContact CG-CE 4.21Å; Q755-M764 HydrophobicContact CG-SD 4.43Å; Q755-M764 VanDerWaalsContact OE1-CE 3.32Å
756	Y	90.3	Very high	87.7	Confident	184 Å²	184	54.1 Å²	54.1	72%	0.722	30%	0.301	S	S	*	.	I	π-helix	trans	-92.2	-28.2	-174.9	-73.5	-68.8	0	0	0	114.9	M752 Y754	M752-Y756 HydrophobicContact CG-CD2 3.72Å; M752-Y756 HydrophobicContact CG-CE2 3.78Å; M752-Y756 VanDerWaalsContact O-CD2 3.25Å; M752-Y756 WeakPolarHBondContact O-CD2 3.12Å; M752-Y756 PolarHBondContact O-N 2.62Å; M752-Y756 VanDerWaalsContact O-N 3.11Å; Y754-Y756 VanDerWaalsContact C-N 3.34Å; Y754-Y756 PolarHBondContact O-N 3.03Å
757	M	89.1	Confident	87.8	Confident	127 Å²	127	53.9 Å²	53.9	63%	0.626	30%	0.299	S	S	*	.	I	π-helix	trans	-107.8	-29.4	-175	-61.2	-170.5	79.3	0	0	114.3	V753	V753-M757 HydrophobicContact CG1-CG 4.45Å; V753-M757 HydrophobicContact CG1-SD 4.04Å; V753-M757 WeakPolarHBondContact O-CB 3.01Å; V753-M757 PolarHBondContact O-N 3.26Å
758	Y	87.4	Confident	87.8	Confident	77 Å²	77	53.5 Å²	53.5	30%	0.302	30%	0.298	S	S	.	.	I	π-helix	trans	-118.2	-24	-168.8	-64.2	-80	0	0	0	113.7	V753 Y754 G760 H770 Q818	V753-Y758 HydrophobicContact CG1-CD2 4.26Å; V753-Y758 HydrophobicContact CG1-CE2 3.88Å; Y754-Y758 CarbonylContact O-C 3.59Å; Y754-Y758 PolarHBondContact O-N 3.43Å; Y758-G760 PolarHBondContact O-N 3.24Å; Y758-H770 AromaticContact CD1-NE2 3.83Å; Y758-H770 AromaticContact CG-NE2 3.78Å; Y758-Q818 HydrophobicContact CE1-CG 4.03Å
759	S	88.7	Confident	87.6	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.14	31%	0.309	C	S	.	.			trans	-81	116.6	177.3	-174.8	0	0	0	0	111.5	Y754 N761 G762 T763	Y754-S759 PolarHBondContact O-N 3.4Å; S759-N761 VanDerWaalsContact C-N 3.29Å; S759-N761 PolarHBondContact O-N 2.91Å; S759-G762 PolarHBondContact OG-N 3.12Å; S759-T763 WeakPolarHBondContact CB-O 3.44Å; S759-T763 PolarHBondContact OG-N 3.43Å; S759-T763 PolarHBondContact OG-O 3.44Å
760	G	81.9	Confident	87.4	Confident	81 Å²	81	57.8 Å²	57.8	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.3	177.6	0	0	0	0	0	114.3	Y758	Y758-G760 PolarHBondContact O-N 3.24Å
761	N	84.9	Confident	87.2	Confident	144 Å²	144	57.7 Å²	57.7	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-2	-178.1	-67.2	-13	0	0	0	113.1	S759 T763	S759-N761 VanDerWaalsContact C-N 3.29Å; S759-N761 PolarHBondContact O-N 2.91Å; N761-T763 HydrophobicContact CB-CG2 4.42Å; N761-T763 PolarHBondContact O-N 2.85Å
762	G	82.4	Confident	87.1	Confident	34 Å²	34	56.6 Å²	56.6	35%	0.351	31%	0.314	S	S	.	.	S	Bend	trans	70.8	8.2	-173.6	0	0	0	0	0	114.8	Q755 S759	Q755-G762 VanDerWaalsContact CG-O 3.29Å; Q755-G762 WeakPolarHBondContact CG-O 3.36Å; Q755-G762 PolarHBondContact NE2-O 3.35Å; S759-G762 PolarHBondContact OG-N 3.12Å
763	T	88.8	Confident	86.8	Confident	66 Å²	66	54.2 Å²	54.2	41%	0.405	30%	0.304	S	S	.	.	S	Bend	trans	-90.5	157.8	176	54.2	0	0	0	0	111.5	S759 N761 S765	S759-T763 WeakPolarHBondContact CB-O 3.44Å; S759-T763 PolarHBondContact OG-N 3.43Å; S759-T763 PolarHBondContact OG-O 3.44Å; N761-T763 HydrophobicContact CB-CG2 4.42Å; N761-T763 PolarHBondContact O-N 2.85Å; T763-S765 PolarHBondContact O-N 3Å; T763-S765 PolarHBondContact OG1-OG 3.38Å
764	M	85.7	Confident	86.6	Confident	40 Å²	40	56.8 Å²	56.8	20%	0.197	31%	0.313	C	S	.	.			trans	-83.9	7.3	176.2	-69.2	-66.5	-167.5	0	0	114	V318 P319 R751 Y754 Q755 Y767	V318-M764 HydrophobicContact CB-CB 4.28Å; P319-M764 HydrophobicContact CG-CB 4.3Å; R751-M764 HydrophobicContact CB-CE 3.87Å; R751-M764 HydrophobicContact CB-SD 4.4Å; R751-M764 WeakPolarHBondContact O-CE 3.28Å; Y754-M764 HydrophobicContact CD1-SD 4.37Å; Q755-M764 HydrophobicContact CB-CE 3.79Å; Q755-M764 HydrophobicContact CB-SD 3.99Å; Q755-M764 HydrophobicContact CG-CE 4.21Å; Q755-M764 HydrophobicContact CG-SD 4.43Å; Q755-M764 VanDerWaalsContact OE1-CE 3.32Å; M764-Y767 VanDerWaalsContact O-CB 3.28Å; M764-Y767 WeakPolarHBondContact O-CB 3.29Å; M764-Y767 PolarHBondContact O-N 2.66Å
765	S	87.9	Confident	86.4	Confident	58 Å²	58	55.9 Å²	55.9	41%	0.406	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	130.7	179.1	52.3	0	0	0	0	111.2	E322 Y754 T763 Y767	E322-S765 WeakPolarHBondContact OE1-CA 3.33Å; Y754-S765 PolarHBondContact OH-O 3.33Å; T763-S765 PolarHBondContact O-N 3Å; T763-S765 PolarHBondContact OG1-OG 3.38Å; S765-Y767 VanDerWaalsContact C-N 3.35Å
766	G	86.7	Confident	86.2	Confident	25 Å²	25	55 Å²	55	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	7.3	-176.8	0	0	0	0	0	114	E322 Y754 H770	E322-G766 PolarHBondContact OE1-N 2.92Å; Y754-G766 VanDerWaalsContact OH-C 3.26Å; Y754-G766 PolarHBondContact OH-O 3.47Å; G766-H770 WeakPolarHBondContact O-CB 3.44Å; G766-H770 PolarHBondContact O-N 3.33Å
767	Y	87.5	Confident	85.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-43	178.6	172.1	-102.4	0	0	0	111.8	P319 R751 Y754 M764 S765 E769 H770 S771	P319-Y767 HydrophobicContact CB-CD1 3.97Å; P319-Y767 HydrophobicContact CG-CD1 3.98Å; R751-Y767 HydrophobicContact CB-CE2 4.46Å; R751-Y767 HydrophobicContact CG-CD1 4.45Å; R751-Y767 HydrophobicContact CG-CE1 3.83Å; R751-Y767 HydrophobicContact CG-CE2 3.92Å; Y754-Y767 AromaticContact CD1-CD2 3.79Å; Y754-Y767 HydrophobicContact CD1-CD2 3.79Å; Y754-Y767 HydrophobicContact CD1-CG 4.34Å; Y754-Y767 HydrophobicContact CD2-CD2 4.37Å; Y754-Y767 AromaticContact CG-CD2 3.7Å; Y754-Y767 HydrophobicContact CG-CD2 3.7Å; M764-Y767 VanDerWaalsContact O-CB 3.28Å; M764-Y767 WeakPolarHBondContact O-CB 3.29Å; M764-Y767 PolarHBondContact O-N 2.66Å; S765-Y767 VanDerWaalsContact C-N 3.35Å; Y767-E769 VanDerWaalsContact C-N 3.33Å; Y767-E769 PolarHBondContact O-N 3.4Å; Y767-H770 PolarHBondContact O-N 3.15Å; Y767-S771 WeakPolarHBondContact O-CB 3.48Å; Y767-S771 PolarHBondContact O-N 2.81Å; Y767-S771 PolarHBondContact O-OG 2.98Å
768	T	84.9	Confident	85.6	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-44.9	-178.8	54	0	0	0	0	111	P319 E322 S771 L772	P319-T768 HydrophobicContact CB-CG2 4.47Å; P319-T768 WeakPolarHBondContact O-CG2 3.34Å; E322-T768 HydrophobicContact CB-CG2 3.65Å; E322-T768 WeakPolarHBondContact CB-OG1 3.25Å; E322-T768 WeakPolarHBondContact OE2-CB 3.4Å; E322-T768 WeakPolarHBondContact OE2-CG2 3.36Å; E322-T768 PolarHBondContact OE2-N 2.65Å; E322-T768 PolarHBondContact OE2-OG1 2.85Å; T768-S771 PolarHBondContact O-N 3.38Å; T768-S771 PolarHBondContact O-OG 3.43Å; T768-L772 VanDerWaalsContact O-CG 3.31Å; T768-L772 WeakPolarHBondContact O-CG 3.34Å; T768-L772 PolarHBondContact O-N 3Å
769	E	84.9	Confident	85.4	Confident	98 Å²	98	45.6 Å²	45.6	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-46.2	174.9	174.7	153.4	-126.9	0	0	112.4	Y767 S771 L772 Y774 R798	Y767-E769 VanDerWaalsContact C-N 3.33Å; Y767-E769 PolarHBondContact O-N 3.4Å; E769-S771 VanDerWaalsContact C-N 3.26Å; E769-S771 PolarHBondContact O-N 3.18Å; E769-L772 PolarHBondContact O-N 3.31Å; E769-Y774 PolarHBondContact OE1-OH 3.38Å; E769-R798 IonicContact OE1-CZ 2.82Å; E769-R798 IonicContact OE1-NH1 3.87Å; E769-R798 IonicContact OE1-NH2 2.95Å; E769-R798 PolarHBondContact OE1-NH2 3.35Å; E769-R798 VanDerWaalsContact OE1-NH2 3.09Å
770	H	84.9	Confident	85.1	Confident	43 Å²	43	45.8 Å²	45.8	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-33.5	177.9	179.4	-82.4	0	0	0	112.8	Y754 Y758 G766 Y767 L772 Y803 Q818	Y754-H770 HydrophobicContact CD2-CB 3.94Å; Y754-H770 AromaticContact CD2-CD2 3.88Å; Y754-H770 AromaticContact CD2-CE1 3.94Å; Y754-H770 AromaticContact CD2-CG 3.51Å; Y754-H770 AromaticContact CD2-ND1 3.55Å; Y754-H770 HydrophobicContact CE2-CB 3.45Å; Y754-H770 VanDerWaalsContact CE2-CB 3.45Å; Y754-H770 AromaticContact CE2-CD2 3.65Å; Y754-H770 AromaticContact CE2-CG 3.39Å; Y754-H770 AromaticContact CE2-ND1 3.94Å; Y758-H770 AromaticContact CD1-NE2 3.83Å; Y758-H770 AromaticContact CG-NE2 3.78Å; G766-H770 WeakPolarHBondContact O-CB 3.44Å; G766-H770 PolarHBondContact O-N 3.33Å; Y767-H770 PolarHBondContact O-N 3.15Å; H770-L772 VanDerWaalsContact C-N 3.32Å; H770-L772 PolarHBondContact O-N 2.03Å; H770-Y803 AromaticContact CE1-CE1 3.97Å; H770-Y803 AromaticContact ND1-CE1 3.98Å; H770-Q818 PolarHBondContact NE2-NE2 3.4Å
771	S	85.6	Confident	85.1	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-75.5	-17.9	-177.6	74.2	0	0	0	0	114.1	Y767 T768 E769 K801	Y767-S771 WeakPolarHBondContact O-CB 3.48Å; Y767-S771 PolarHBondContact O-N 2.81Å; Y767-S771 PolarHBondContact O-OG 2.98Å; T768-S771 PolarHBondContact O-N 3.38Å; T768-S771 PolarHBondContact O-OG 3.43Å; E769-S771 VanDerWaalsContact C-N 3.26Å; E769-S771 PolarHBondContact O-N 3.18Å; S771-K801 WeakPolarHBondContact O-CA 3.26Å
772	L	85.4	Confident	84.8	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-100	130.5	-173.6	-67.8	170.9	0	0	0	111.2	I330 M332 L345 T768 E769 H770 R798	I330-L772 HydrophobicContact CD1-CD1 4.47Å; I330-L772 HydrophobicContact CG2-CD1 4.02Å; M332-L772 HydrophobicContact CE-CD2 4.08Å; M332-L772 HydrophobicContact SD-CD2 4.29Å; L345-L772 HydrophobicContact CD2-CD1 4.25Å; T768-L772 VanDerWaalsContact O-CG 3.31Å; T768-L772 WeakPolarHBondContact O-CG 3.34Å; T768-L772 PolarHBondContact O-N 3Å; E769-L772 PolarHBondContact O-N 3.31Å; H770-L772 VanDerWaalsContact C-N 3.32Å; H770-L772 PolarHBondContact O-N 2.03Å; L772-R798 HydrophobicContact CB-CB 4.49Å
773	S	84.3	Confident	84.5	Confident	14 Å²	14	45 Å²	45	10%	0.098	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-90.5	147.1	173.7	50.6	0	0	0	0	113	R798 R799 Y800 D802	S773-R798 WeakPolarHBondContact O-CA 3.5Å; S773-R799 PolarHBondContact O-N 3.27Å; S773-Y800 PolarHBondContact OG-O 3.15Å; S773-D802 VanDerWaalsContact CB-O 3.23Å; S773-D802 WeakPolarHBondContact CB-O 3.1Å; S773-D802 PolarHBondContact OG-O 3.03Å
774	Y	85.9	Confident	84	Confident	63 Å²	63	42.5 Å²	42.5	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.8	178.9	-67	-93	0	0	0	111.2	E769 R798 W808	E769-Y774 PolarHBondContact OE1-OH 3.38Å; Y774-R798 HydrophobicContact CD1-CG 4.45Å; Y774-R798 VanDerWaalsContact OH-CZ 3.3Å; Y774-R798 PolarHBondContact OH-NH2 2.94Å; Y774-W808 HydrophobicContact CD1-CH2 4.27Å; Y774-W808 HydrophobicContact CD1-CZ3 4.48Å; Y774-W808 AromaticContact CD2-CH2 3.77Å; Y774-W808 HydrophobicContact CD2-CH2 3.77Å; Y774-W808 HydrophobicContact CE2-CH2 4.1Å; Y774-W808 AromaticContact CG-CH2 3.86Å; Y774-W808 HydrophobicContact CG-CH2 3.86Å; Y774-W808 HydrophobicContact CG-CZ3 4.19Å
775	F	86.4	Confident	83.6	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.9	172.9	-178.7	-108.4	0	0	0	111.7	P567 N779 F780 M796 C797 Y813	P567-F775 HydrophobicContact CB-CB 4.45Å; P567-F775 HydrophobicContact CB-CD1 3.49Å; P567-F775 VanDerWaalsContact CB-CD1 3.49Å; P567-F775 HydrophobicContact CB-CD2 3.53Å; P567-F775 HydrophobicContact CB-CE1 3.42Å; P567-F775 VanDerWaalsContact CB-CE1 3.42Å; P567-F775 HydrophobicContact CB-CE2 3.49Å; P567-F775 VanDerWaalsContact CB-CE2 3.49Å; P567-F775 HydrophobicContact CB-CG 3.53Å; P567-F775 HydrophobicContact CB-CZ 3.42Å; P567-F775 VanDerWaalsContact CB-CZ 3.42Å; P567-F775 HydrophobicContact CG-CB 4.16Å; P567-F775 HydrophobicContact CG-CD1 4.06Å; P567-F775 HydrophobicContact CG-CD2 3.9Å; P567-F775 HydrophobicContact CG-CE1 4.45Å; P567-F775 HydrophobicContact CG-CE2 4.34Å; P567-F775 HydrophobicContact CG-CG 3.75Å; P567-F775 VanDerWaalsContact O-CE2 3.32Å; P567-F775 WeakPolarHBondContact O-CE2 3.33Å; F775-N779 HydrophobicContact CE2-CB 3.84Å; F775-N779 HydrophobicContact CZ-CB 3.69Å; F775-F780 HydrophobicContact CD1-CE2 4.16Å; F775-F780 HydrophobicContact CD1-CZ 4.04Å; F775-F780 HydrophobicContact CE1-CD1 4.15Å; F775-F780 AromaticContact CE1-CD2 3.89Å; F775-F780 HydrophobicContact CE1-CD2 3.89Å; F775-F780 AromaticContact CE1-CE1 3.89Å; F775-F780 HydrophobicContact CE1-CE1 3.89Å; F775-F780 AromaticContact CE1-CE2 3.61Å; F775-F780 HydrophobicContact CE1-CE2 3.61Å; F775-F780 HydrophobicContact CE1-CG 4.14Å; F775-F780 AromaticContact CE1-CZ 3.6Å; F775-F780 HydrophobicContact CE1-CZ 3.6Å; F775-M796 WeakPolarHBondContact O-CA 3.39Å; F775-C797 WeakPolarHBondContact CA-O 3.48Å; F775-C797 WeakPolarHBondContact CB-O 3.31Å; F775-C797 PolarHBondContact N-O 3.18Å; F775-C797 PolarHBondContact O-N 3.47Å; F775-C797 VanDerWaalsContact O-O 3.09Å; F775-Y813 HydrophobicContact CD2-CD1 4.2Å; F775-Y813 AromaticContact CD2-CE1 3.52Å; F775-Y813 HydrophobicContact CD2-CE1 3.52Å; F775-Y813 AromaticContact CD2-CZ 3.93Å; F775-Y813 HydrophobicContact CE2-CE1 4.04Å
776	N	87.3	Confident	83.2	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.5	175.4	-170.6	-8.9	0	0	0	110.2	S778 N779 S795	N776-S778 VanDerWaalsContact CG-OG 3.22Å; N776-S778 PolarHBondContact ND2-OG 3.35Å; N776-S778 PolarHBondContact O-N 2.72Å; N776-S778 VanDerWaalsContact O-N 3.15Å; N776-S778 PolarHBondContact OD1-N 3.09Å; N776-S778 PolarHBondContact OD1-OG 3.45Å; N776-N779 PolarHBondContact O-N 3.27Å; N776-N779 VanDerWaalsContact O-N 3.12Å; N776-S795 PolarHBondContact OD1-O 2.87Å
777	V	83.7	Confident	82.5	Confident	29 Å²	29	45 Å²	45	18%	0.176	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.8	-25.3	-175.7	177.4	0	0	0	0	112.2	Y342 N779 F780 V794 S795 C797	Y342-V777 HydrophobicContact CE1-CG2 4.39Å; Y342-V777 WeakPolarHBondContact OH-CG1 3.3Å; V777-N779 PolarHBondContact O-N 2.82Å; V777-N779 VanDerWaalsContact O-N 3.12Å; V777-F780 HydrophobicContact CB-CE2 4.5Å; V777-F780 HydrophobicContact CG1-CD2 4.05Å; V777-F780 HydrophobicContact CG1-CE2 4.15Å; V777-F780 WeakPolarHBondContact O-CD2 3.04Å; V777-F780 PolarHBondContact O-N 2.96Å; V777-V794 HydrophobicContact CG2-CG1 4.31Å; V777-S795 PolarHBondContact N-O 3.45Å; V777-C797 HydrophobicContact CG2-CB 4.25Å
778	S	82.8	Confident	81.6	Confident	84 Å²	84	48.6 Å²	48.6	59%	0.587	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62.6	-18.6	177.3	61.9	0	0	0	0	114.3	N776	N776-S778 VanDerWaalsContact CG-OG 3.22Å; N776-S778 PolarHBondContact ND2-OG 3.35Å; N776-S778 PolarHBondContact O-N 2.72Å; N776-S778 VanDerWaalsContact O-N 3.15Å; N776-S778 PolarHBondContact OD1-N 3.09Å; N776-S778 PolarHBondContact OD1-OG 3.45Å
779	N	83.6	Confident	80.9	Confident	76 Å²	76	51.2 Å²	51.2	41%	0.406	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-95	13.7	-172.3	-66.9	6.7	0	0	0	113.3	F775 N776 V777 Y813	F775-N779 HydrophobicContact CE2-CB 3.84Å; F775-N779 HydrophobicContact CZ-CB 3.69Å; N776-N779 PolarHBondContact O-N 3.27Å; N776-N779 VanDerWaalsContact O-N 3.12Å; V777-N779 PolarHBondContact O-N 2.82Å; V777-N779 VanDerWaalsContact O-N 3.12Å; N779-Y813 VanDerWaalsContact ND2-CE2 3.34Å; N779-Y813 WeakPolarHBondContact ND2-CE2 3.46Å; N779-Y813 PolarHBondContact ND2-OH 2.93Å
780	F	82.5	Confident	80.1	Confident	24 Å²	24	54.1 Å²	54.1	11%	0.105	33%	0.333	C	S	.	.	S	Bend	trans	-71.6	137.3	172	-80.7	-66.6	0	0	0	111.2	P567 F775 V777 A785	P567-F780 HydrophobicContact CB-CE1 4.24Å; F775-F780 HydrophobicContact CD1-CE2 4.16Å; F775-F780 HydrophobicContact CD1-CZ 4.04Å; F775-F780 HydrophobicContact CE1-CD1 4.15Å; F775-F780 AromaticContact CE1-CD2 3.89Å; F775-F780 HydrophobicContact CE1-CD2 3.89Å; F775-F780 AromaticContact CE1-CE1 3.89Å; F775-F780 HydrophobicContact CE1-CE1 3.89Å; F775-F780 AromaticContact CE1-CE2 3.61Å; F775-F780 HydrophobicContact CE1-CE2 3.61Å; F775-F780 HydrophobicContact CE1-CG 4.14Å; F775-F780 AromaticContact CE1-CZ 3.6Å; F775-F780 HydrophobicContact CE1-CZ 3.6Å; V777-F780 HydrophobicContact CB-CE2 4.5Å; V777-F780 HydrophobicContact CG1-CD2 4.05Å; V777-F780 HydrophobicContact CG1-CE2 4.15Å; V777-F780 WeakPolarHBondContact O-CD2 3.04Å; V777-F780 PolarHBondContact O-N 2.96Å; F780-A785 HydrophobicContact CB-CB 4.25Å; F780-A785 HydrophobicContact CD2-CB 4.48Å; F780-A785 HydrophobicContact CG-CB 4.5Å
781	P	81.4	Confident	79.3	Confident	42 Å²	42	54.2 Å²	54.2	27%	0.273	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-64.3	148.5	171.1	22.8	-28.6	0	0	0	110.4	G783 T784	P781-G783 PolarHBondContact O-N 3.21Å; P781-T784 VanDerWaalsContact CD-OG1 3.29Å; P781-T784 WeakPolarHBondContact CD-OG1 3.07Å; P781-T784 HydrophobicContact CG-CG2 3.8Å; P781-T784 WeakPolarHBondContact CG-OG1 3.49Å; P781-T784 PolarHBondContact O-N 2.67Å; P781-T784 VanDerWaalsContact O-N 3.16Å; P781-T784 PolarHBondContact O-OG1 3.42Å
782	P	79.1	Confident	78.5	Confident	134 Å²	134	59.8 Å²	59.8	87%	0.87	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	131	-174.7	24.1	-33.4	0	0	0	110.8
783	G	75.3	Confident	77.8	Confident	67 Å²	67	63.2 Å²	63.2	69%	0.691	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-9	-179.8	0	0	0	0	0	116	P781	P781-G783 PolarHBondContact O-N 3.21Å
784	T	78.3	Confident	77.3	Confident	14 Å²	14	63.9 Å²	63.9	9%	0.086	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-20.2	177.9	62.2	0	0	0	0	114.2	A338 P781	A338-T784 PolarHBondContact N-O 3.13Å; P781-T784 VanDerWaalsContact CD-OG1 3.29Å; P781-T784 WeakPolarHBondContact CD-OG1 3.07Å; P781-T784 HydrophobicContact CG-CG2 3.8Å; P781-T784 WeakPolarHBondContact CG-OG1 3.49Å; P781-T784 PolarHBondContact O-N 2.67Å; P781-T784 VanDerWaalsContact O-N 3.16Å; P781-T784 PolarHBondContact O-OG1 3.42Å
785	A	78.3	Confident	76.9	Confident	41 Å²	41	65 Å²	65	34%	0.339	43%	0.427	S	S	.	.	S	Bend	trans	-68.6	150.2	178	0	0	0	0	0	111.7	A338 F780 T787	A338-A785 WeakPolarHBondContact CA-O 3.2Å; F780-A785 HydrophobicContact CB-CB 4.25Å; F780-A785 HydrophobicContact CD2-CB 4.48Å; F780-A785 HydrophobicContact CG-CB 4.5Å; A785-T787 PolarHBondContact O-N 3.45Å
786	P	77.8	Confident	76.7	Confident	20 Å²	20	68.5 Å²	68.5	13%	0.13	44%	0.444	C	S	.	.			trans	-61.7	132.2	179.6	22.4	-31	0	0	0	111.9	C340 Y342 T789	C340-P786 WeakPolarHBondContact O-CB 3.45Å; Y342-P786 HydrophobicContact CD2-CG 4.39Å; Y342-P786 HydrophobicContact CE2-CG 3.69Å; P786-T789 HydrophobicContact CB-CG2 4.07Å; P786-T789 HydrophobicContact CG-CG2 3.82Å
787	T	72.4	Confident	76.4	Confident	113 Å²	113	66.1 Å²	66.1	69%	0.693	43%	0.431	S	S	*	.	S	Bend	trans	-78.2	-33.5	-179.1	49.8	0	0	0	0	112.9	A338 A785	A338-T787 HydrophobicContact CB-CG2 4.21Å; A338-T787 PolarHBondContact O-N 3.18Å; A338-T787 PolarHBondContact O-OG1 2.95Å; A785-T787 PolarHBondContact O-N 3.45Å
788	T	68.6	Low	75.9	Confident	81 Å²	81	66.5 Å²	66.5	50%	0.497	43%	0.43	S	S	.	.	S	Bend	trans	-115.7	142.6	170.6	53.3	0	0	0	0	109.1	D341	D341-T788 PolarHBondContact OD1-OG1 3.43Å
789	T	70.3	Confident	75	Confident	65 Å²	65	62.9 Å²	62.9	40%	0.399	40%	0.403	S	S	.	.			trans	-133.4	116.2	174.4	52.1	0	0	0	0	110.3	Y342 P786 I791	Y342-T789 HydrophobicContact CD2-CG2 4.06Å; Y342-T789 HydrophobicContact CE2-CG2 3.84Å; P786-T789 HydrophobicContact CB-CG2 4.07Å; P786-T789 HydrophobicContact CG-CG2 3.82Å; T789-I791 VanDerWaalsContact C-N 3.28Å
790	L	68.5	Low	73.9	Confident	158 Å²	158	61.4 Å²	61.4	83%	0.827	39%	0.392	S	S	*	.	S	Bend	trans	-69.4	-27.8	169.3	-79.4	153.5	0	0	0	112.1	D341	D341-L790 WeakPolarHBondContact OD2-CB 3.31Å; D341-L790 WeakPolarHBondContact OD2-CD1 3.49Å; D341-L790 WeakPolarHBondContact OD2-CG 3.42Å; D341-L790 PolarHBondContact OD2-N 2.75Å
791	I	68.4	Low	73	Confident	45 Å²	45	63.8 Å²	63.8	23%	0.231	40%	0.402	C	S	.	.	S	Bend	trans	-103.9	106	178.6	-51.9	179	0	0	0	108.4	T789 V794	T789-I791 VanDerWaalsContact C-N 3.28Å; I791-V794 HydrophobicContact CB-CG2 4.23Å; I791-V794 HydrophobicContact CG2-CG2 3.58Å
792	T	67.4	Low	72.4	Confident	121 Å²	121	62.8 Å²	62.8	74%	0.742	40%	0.395	S	S	*	.			trans	-87.4	148.6	-178.7	54.3	0	0	0	0	111.9
793	G	71.6	Confident	72.5	Confident	82 Å²	82	57.3 Å²	57.3	85%	0.845	36%	0.357	S	S	*	.			trans	82.4	17.8	174	0	0	0	0	0	116.5	S795	G793-S795 PolarHBondContact O-N 2.94Å
794	V	74.6	Confident	73	Confident	29 Å²	29	56.3 Å²	56.3	18%	0.176	33%	0.332	C	S	.	.			trans	-77.3	103.8	178.6	-173.7	0	0	0	0	110.4	Y342 V777 I791 M796 C797	Y342-V794 HydrophobicContact CD1-CG1 4.47Å; Y342-V794 HydrophobicContact CD2-CG2 4.35Å; Y342-V794 HydrophobicContact CE1-CG1 4.42Å; Y342-V794 HydrophobicContact CE2-CB 4.48Å; V777-V794 HydrophobicContact CG2-CG1 4.31Å; I791-V794 HydrophobicContact CB-CG2 4.23Å; I791-V794 HydrophobicContact CG2-CG2 3.58Å; V794-M796 WeakPolarHBondContact CG1-O 3.48Å; V794-C797 HydrophobicContact CG1-CB 4.38Å
795	S	77.2	Confident	73.4	Confident	87 Å²	87	57.7 Å²	57.7	61%	0.608	34%	0.339	S	S	*	.	S	Bend	trans	-85	-32.3	174.7	57.5	0	0	0	0	112.8	N776 V777 G793	N776-S795 PolarHBondContact OD1-O 2.87Å; V777-S795 PolarHBondContact N-O 3.45Å; G793-S795 PolarHBondContact O-N 2.94Å
796	M	81.8	Confident	73.7	Confident	76 Å²	76	57.1 Å²	57.1	37%	0.374	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.5	176.3	-62.8	-166.8	-178.4	0	0	110	F775 V794 W808	F775-M796 WeakPolarHBondContact O-CA 3.39Å; V794-M796 WeakPolarHBondContact CG1-O 3.48Å; M796-W808 HydrophobicContact SD-CZ3 4.4Å
797	C	81.1	Confident	74.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146	170.1	70.1	0	0	0	0	109.2	C333 Y342 F775 V777 V794	C333-C797 HydrophobicContact CB-CB 3.94Å; C333-C797 WeakPolarHBondContact CB-SG 3.29Å; C333-C797 WeakPolarHBondContact SG-CB 3.36Å; C333-C797 PolarHBondContact SG-O 3.31Å; C333-C797 CovalentContact SG-SG 2.03Å; C333-C797 PolarHBondContact SG-SG 2.69Å; Y342-C797 HydrophobicContact CD1-CB 4.01Å; Y342-C797 HydrophobicContact CE1-CB 3.79Å; F775-C797 WeakPolarHBondContact CA-O 3.48Å; F775-C797 WeakPolarHBondContact CB-O 3.31Å; F775-C797 PolarHBondContact N-O 3.18Å; F775-C797 PolarHBondContact O-N 3.47Å; F775-C797 VanDerWaalsContact O-O 3.09Å; V777-C797 HydrophobicContact CG2-CB 4.25Å; V794-C797 HydrophobicContact CG1-CB 4.38Å
798	R	74.1	Confident	74.7	Confident	37 Å²	37	60.1 Å²	60.1	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.3	174.3	-59.4	-162.3	-169.8	-171.4	2.7	107.8	I330 T331 M332 C333 E769 L772 S773 Y774	I330-R798 HydrophobicContact CG2-CB 4.46Å; I330-R798 HydrophobicContact CG2-CG 4.42Å; T331-R798 PolarHBondContact O-N 2.91Å; M332-R798 CarbonylContact C-O 3.6Å; M332-R798 WeakPolarHBondContact CA-O 3.49Å; M332-R798 HydrophobicContact SD-CB 4.31Å; C333-R798 PolarHBondContact N-O 2.99Å; E769-R798 IonicContact OE1-CZ 2.82Å; E769-R798 IonicContact OE1-NH1 3.87Å; E769-R798 IonicContact OE1-NH2 2.95Å; E769-R798 PolarHBondContact OE1-NH2 3.35Å; E769-R798 VanDerWaalsContact OE1-NH2 3.09Å; L772-R798 HydrophobicContact CB-CB 4.49Å; S773-R798 WeakPolarHBondContact O-CA 3.5Å; Y774-R798 HydrophobicContact CD1-CG 4.45Å; Y774-R798 VanDerWaalsContact OH-CZ 3.3Å; Y774-R798 PolarHBondContact OH-NH2 2.94Å
799	R	62.6	Low	75.5	Confident	9 Å²	9	57.9 Å²	57.9	3%	0.034	32%	0.322	C	S	.	.			trans	-91.9	-49.4	-165.8	-155.9	-118.8	-150.5	127.4	-116.7	113.7	M332 C333 R566 P567 Y570 E581 S773	M332-R799 WeakPolarHBondContact CE-O 3.4Å; C333-R799 HydrophobicContact CB-CB 3.78Å; C333-R799 HydrophobicContact CB-CG 3.31Å; C333-R799 VanDerWaalsContact SG-CA 3.55Å; C333-R799 WeakPolarHBondContact SG-CB 3.4Å; C333-R799 VanDerWaalsContact SG-CG 3.57Å; R566-R799 PolarHBondContact O-NH2 3.01Å; P567-R799 HydrophobicContact CG-CB 3.63Å; P567-R799 VanDerWaalsContact CG-CD 3.49Å; P567-R799 HydrophobicContact CG-CG 3.59Å; P567-R799 VanDerWaalsContact CG-CZ 3.4Å; P567-R799 VanDerWaalsContact N-CZ 3.3Å; Y570-R799 VanDerWaalsContact OH-CZ 3.28Å; Y570-R799 PolarHBondContact OH-NH1 2.84Å; E581-R799 IonicContact OE1-NE 3.41Å; E581-R799 IonicContact OE1-NH2 3.36Å; S773-R799 PolarHBondContact O-N 3.27Å
800	Y	60.6	Low	76.2	Confident	45 Å²	45	60.3 Å²	60.3	18%	0.176	34%	0.342	C	S	.	.			trans	-175.5	166.7	-168.9	59.9	-59.4	0	0	0	111.8	G565 R566 P567 S773 D802 R804	G565-Y800 PolarHBondContact O-OH 3.41Å; R566-Y800 WeakPolarHBondContact CA-OH 3.45Å; P567-Y800 HydrophobicContact CG-CE1 4.28Å; S773-Y800 PolarHBondContact OG-O 3.15Å; Y800-D802 HydrophobicContact CD2-CB 3.5Å; Y800-D802 HydrophobicContact CE1-CB 4.42Å; Y800-D802 HydrophobicContact CE2-CB 3.14Å; Y800-D802 WeakPolarHBondContact CE2-OD2 3.48Å; Y800-D802 HydrophobicContact CG-CB 4.32Å; Y800-D802 PolarHBondContact O-N 3.06Å; Y800-D802 PolarHBondContact OH-OD2 3.48Å; Y800-R804 PolarHBondContact OH-NE 3.21Å
801	K	62.9	Low	76.9	Confident	73 Å²	73	57.7 Å²	57.7	32%	0.317	33%	0.328	S	S	.	.	S	Bend	trans	-70	62	175.9	-71.3	179.9	173	163.9	0	112.5	P584 E747 S771	P584-K801 WeakPolarHBondContact O-CD 3.22Å; P584-K801 WeakPolarHBondContact O-CE 3.43Å; P584-K801 PolarHBondContact O-NZ 3.49Å; E747-K801 IonicContact OE1-NZ 3.68Å; E747-K801 PolarHBondContact OE1-NZ 3.21Å; E747-K801 IonicContact OE2-NZ 2.69Å; E747-K801 PolarHBondContact OE2-NZ 3.25Å; S771-K801 WeakPolarHBondContact O-CA 3.26Å
802	D	69	Low	77.6	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.118	33%	0.332	C	S	.	.			trans	-123.9	122.5	170.4	-164.1	15.5	0	0	0	108.6	S773 Y800 R804	S773-D802 VanDerWaalsContact CB-O 3.23Å; S773-D802 WeakPolarHBondContact CB-O 3.1Å; S773-D802 PolarHBondContact OG-O 3.03Å; Y800-D802 HydrophobicContact CD2-CB 3.5Å; Y800-D802 HydrophobicContact CE1-CB 4.42Å; Y800-D802 HydrophobicContact CE2-CB 3.14Å; Y800-D802 WeakPolarHBondContact CE2-OD2 3.48Å; Y800-D802 HydrophobicContact CG-CB 4.32Å; Y800-D802 PolarHBondContact O-N 3.06Å; Y800-D802 PolarHBondContact OH-OD2 3.48Å; D802-R804 VanDerWaalsContact C-N 3.33Å; D802-R804 PolarHBondContact O-N 3.36Å; D802-R804 IonicContact OD2-CZ 3.21Å; D802-R804 IonicContact OD2-NE 3.39Å; D802-R804 PolarHBondContact OD2-NE 3.02Å; D802-R804 IonicContact OD2-NH2 3.47Å; D802-R804 PolarHBondContact OD2-NH2 3.07Å
803	Y	82.3	Confident	78.3	Confident	19 Å²	19	52.9 Å²	52.9	8%	0.075	30%	0.302	C	S	.	.			trans	-77.4	83.6	-172.3	-68.2	-75.5	0	0	0	109.6	H770 S816 Q818 V822	H770-Y803 AromaticContact CE1-CE1 3.97Å; H770-Y803 AromaticContact ND1-CE1 3.98Å; Y803-S816 WeakPolarHBondContact O-CB 3.25Å; Y803-S816 PolarHBondContact O-N 3.31Å; Y803-Q818 HydrophobicContact CD1-CB 4Å; Y803-Q818 HydrophobicContact CG-CB 4.28Å; Y803-V822 HydrophobicContact CD2-CG2 4.42Å; Y803-V822 HydrophobicContact CE2-CB 4.34Å; Y803-V822 HydrophobicContact CE2-CG1 4.24Å; Y803-V822 HydrophobicContact CE2-CG2 3.95Å
804	R	85	Confident	79.1	Confident	46 Å²	46	52 Å²	52	17%	0.174	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-115.8	151.5	179.3	-67.5	-179.1	-177.4	-89.4	-10.5	111.5	Y800 D802 Y813 T814 F815	Y800-R804 PolarHBondContact OH-NE 3.21Å; D802-R804 VanDerWaalsContact C-N 3.33Å; D802-R804 PolarHBondContact O-N 3.36Å; D802-R804 IonicContact OD2-CZ 3.21Å; D802-R804 IonicContact OD2-NE 3.39Å; D802-R804 PolarHBondContact OD2-NE 3.02Å; D802-R804 IonicContact OD2-NH2 3.47Å; D802-R804 PolarHBondContact OD2-NH2 3.07Å; R804-Y813 PolarHBondContact NH1-O 3.36Å; R804-T814 VanDerWaalsContact CA-O 3.25Å; R804-T814 WeakPolarHBondContact CA-O 3.38Å; R804-T814 WeakPolarHBondContact CB-O 3.44Å; R804-F815 VanDerWaalsContact NH2-CE1 3.34Å
805	D	86.1	Confident	79.7	Confident	42 Å²	42	54.7 Å²	54.7	23%	0.225	29%	0.29	C	S	.	.			trans	-69.5	142	177.3	-70.4	-37.3	0	0	0	111.1	A809 Y813 T814 S816	D805-A809 HydrophobicContact CB-CB 4.11Å; D805-Y813 PolarHBondContact O-N 3.24Å; D805-T814 PolarHBondContact N-O 2.81Å; D805-S816 WeakPolarHBondContact OD1-CB 3.23Å; D805-S816 PolarHBondContact OD1-OG 3.19Å
806	P	86.1	Confident	80.1	Confident	29 Å²	29	51 Å²	51	19%	0.188	26%	0.264	C	S	.	.			trans	-68.3	163.3	-174.3	29.3	-36.2	0	0	0	112	W808 A809	P806-W808 HydrophobicContact CB-CD2 3.75Å; P806-W808 HydrophobicContact CB-CE3 4Å; P806-W808 HydrophobicContact CB-CG 4.46Å; P806-W808 HydrophobicContact CB-CH2 3.6Å; P806-W808 HydrophobicContact CB-CZ2 3.33Å; P806-W808 HydrophobicContact CB-CZ3 3.92Å; P806-W808 HydrophobicContact CG-CD2 4.12Å; P806-W808 VanDerWaalsContact CG-CE2 3.49Å; P806-W808 HydrophobicContact CG-CG 4.47Å; P806-W808 HydrophobicContact CG-CH2 4.45Å; P806-W808 HydrophobicContact CG-CZ2 3.69Å; P806-W808 PolarHBondContact O-N 2.95Å; P806-W808 VanDerWaalsContact O-N 3.09Å; P806-A809 HydrophobicContact CG-CB 4.21Å; P806-A809 WeakPolarHBondContact O-CB 3.48Å; P806-A809 PolarHBondContact O-N 2.82Å
807	P	84.8	Confident	80.4	Confident	30 Å²	30	55.6 Å²	55.6	20%	0.195	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.3	-174	25.1	-34.3	0	0	0	114.7	Y813	P807-Y813 HydrophobicContact CB-CE1 4.22Å
808	W	84.9	Confident	80.8	Confident	166 Å²	166	58.1 Å²	58.1	63%	0.629	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.8	176.5	57.4	82.3	0	0	0	113.9	Y774 M796 P806	Y774-W808 HydrophobicContact CD1-CH2 4.27Å; Y774-W808 HydrophobicContact CD1-CZ3 4.48Å; Y774-W808 AromaticContact CD2-CH2 3.77Å; Y774-W808 HydrophobicContact CD2-CH2 3.77Å; Y774-W808 HydrophobicContact CE2-CH2 4.1Å; Y774-W808 AromaticContact CG-CH2 3.86Å; Y774-W808 HydrophobicContact CG-CH2 3.86Å; Y774-W808 HydrophobicContact CG-CZ3 4.19Å; M796-W808 HydrophobicContact SD-CZ3 4.4Å; P806-W808 HydrophobicContact CB-CD2 3.75Å; P806-W808 HydrophobicContact CB-CE3 4Å; P806-W808 HydrophobicContact CB-CG 4.46Å; P806-W808 HydrophobicContact CB-CH2 3.6Å; P806-W808 HydrophobicContact CB-CZ2 3.33Å; P806-W808 HydrophobicContact CB-CZ3 3.92Å; P806-W808 HydrophobicContact CG-CD2 4.12Å; P806-W808 VanDerWaalsContact CG-CE2 3.49Å; P806-W808 HydrophobicContact CG-CG 4.47Å; P806-W808 HydrophobicContact CG-CH2 4.45Å; P806-W808 HydrophobicContact CG-CZ2 3.69Å; P806-W808 PolarHBondContact O-N 2.95Å; P806-W808 VanDerWaalsContact O-N 3.09Å
809	A	86.1	Confident	81.5	Confident	34 Å²	34	59.2 Å²	59.2	28%	0.281	30%	0.298	S	S	.	.	S	Bend	trans	-78.2	159.3	173.4	0	0	0	0	0	111.3	D805 P806 D811	D805-A809 HydrophobicContact CB-CB 4.11Å; P806-A809 HydrophobicContact CG-CB 4.21Å; P806-A809 WeakPolarHBondContact O-CB 3.48Å; P806-A809 PolarHBondContact O-N 2.82Å; A809-D811 VanDerWaalsContact C-N 3.31Å; A809-D811 PolarHBondContact O-N 3.43Å
810	S	85	Confident	82.9	Confident	117 Å²	117	66 Å²	66	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-41	178.2	50.3	0	0	0	0	112.7
811	D	84.4	Confident	84.3	Confident	103 Å²	103	65.3 Å²	65.3	55%	0.551	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	62.8	179.9	-61.9	-50.7	0	0	0	111	A809 Y813 T814	A809-D811 VanDerWaalsContact C-N 3.31Å; A809-D811 PolarHBondContact O-N 3.43Å; D811-Y813 PolarHBondContact O-N 3.24Å; D811-T814 HydrophobicContact CB-CG2 4.1Å; D811-T814 WeakPolarHBondContact CB-OG1 3.34Å; D811-T814 PolarHBondContact O-N 2.87Å; D811-T814 PolarHBondContact O-OG1 3.36Å
812	A	82.4	Confident	85.7	Confident	38 Å²	38	62 Å²	62	31%	0.314	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	134	-176.1	0	0	0	0	0	112.8	T814	A812-T814 PolarHBondContact O-N 3.41Å
813	Y	82.6	Confident	86.8	Confident	27 Å²	27	62.7 Å²	62.7	11%	0.106	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	7.2	176.3	-45.1	-64.3	0	0	0	116.5	F775 N779 R804 D805 P807 D811	F775-Y813 HydrophobicContact CD2-CD1 4.2Å; F775-Y813 AromaticContact CD2-CE1 3.52Å; F775-Y813 HydrophobicContact CD2-CE1 3.52Å; F775-Y813 AromaticContact CD2-CZ 3.93Å; F775-Y813 HydrophobicContact CE2-CE1 4.04Å; N779-Y813 VanDerWaalsContact ND2-CE2 3.34Å; N779-Y813 WeakPolarHBondContact ND2-CE2 3.46Å; N779-Y813 PolarHBondContact ND2-OH 2.93Å; R804-Y813 PolarHBondContact NH1-O 3.36Å; D805-Y813 PolarHBondContact O-N 3.24Å; P807-Y813 HydrophobicContact CB-CE1 4.22Å; D811-Y813 PolarHBondContact O-N 3.24Å
814	T	87	Confident	87.4	Confident	63 Å²	63	64.6 Å²	64.6	39%	0.387	34%	0.335	S	S	.	.	S	Bend	trans	-78.8	166.5	171.7	67.2	0	0	0	0	111.4	R804 D805 D811 A812 S816	R804-T814 VanDerWaalsContact CA-O 3.25Å; R804-T814 WeakPolarHBondContact CA-O 3.38Å; R804-T814 WeakPolarHBondContact CB-O 3.44Å; D805-T814 PolarHBondContact N-O 2.81Å; D811-T814 HydrophobicContact CB-CG2 4.1Å; D811-T814 WeakPolarHBondContact CB-OG1 3.34Å; D811-T814 PolarHBondContact O-N 2.87Å; D811-T814 PolarHBondContact O-OG1 3.36Å; A812-T814 PolarHBondContact O-N 3.41Å; T814-S816 PolarHBondContact O-N 3.4Å
815	F	86.9	Confident	87.8	Confident	85 Å²	85	63.6 Å²	63.6	37%	0.373	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-69.1	121.3	178.1	-72.4	-65.9	0	0	0	110.4	R804 Y819	R804-F815 VanDerWaalsContact NH2-CE1 3.34Å; F815-Y819 HydrophobicContact CB-CD1 4.17Å; F815-Y819 HydrophobicContact CB-CG 4.34Å; F815-Y819 AromaticContact CD1-CD1 3.89Å; F815-Y819 HydrophobicContact CD1-CD1 3.89Å; F815-Y819 AromaticContact CD1-CD2 3.8Å; F815-Y819 HydrophobicContact CD1-CD2 3.8Å; F815-Y819 HydrophobicContact CD1-CE1 4.1Å; F815-Y819 HydrophobicContact CD1-CE2 4Å; F815-Y819 AromaticContact CD1-CG 3.74Å; F815-Y819 HydrophobicContact CD1-CG 3.74Å; F815-Y819 HydrophobicContact CE1-CD2 4.1Å; F815-Y819 HydrophobicContact CE1-CE1 4.33Å; F815-Y819 AromaticContact CE1-CE2 3.86Å; F815-Y819 HydrophobicContact CE1-CE2 3.86Å; F815-Y819 HydrophobicContact CE1-CG 4.43Å; F815-Y819 AromaticContact CE1-CZ 3.99Å; F815-Y819 HydrophobicContact CG-CD1 4.13Å; F815-Y819 HydrophobicContact CG-CE1 4.4Å; F815-Y819 HydrophobicContact CG-CG 4.33Å
816	S	87.2	Confident	88.2	Confident	11 Å²	11	63.9 Å²	63.9	8%	0.077	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-71.3	161.8	-178.4	-167.6	0	0	0	0	111.7	Y803 D805 T814 Q818 Y819	Y803-S816 WeakPolarHBondContact O-CB 3.25Å; Y803-S816 PolarHBondContact O-N 3.31Å; D805-S816 WeakPolarHBondContact OD1-CB 3.23Å; D805-S816 PolarHBondContact OD1-OG 3.19Å; T814-S816 PolarHBondContact O-N 3.4Å; S816-Q818 PolarHBondContact O-N 2.85Å; S816-Q818 VanDerWaalsContact O-N 3.1Å; S816-Y819 VanDerWaalsContact O-CB 3.3Å; S816-Y819 WeakPolarHBondContact O-CB 3.34Å; S816-Y819 PolarHBondContact O-N 3.34Å
817	K	88.2	Confident	88.6	Confident	172 Å²	172	66.6 Å²	66.6	75%	0.748	35%	0.347	S	S	*	.	H	α-helix	trans	-54	-30.2	169.2	-174.8	178.6	178.1	-177.7	0	112.3	W820 S821	K817-W820 PolarHBondContact O-N 3.35Å; K817-S821 PolarHBondContact O-N 2.64Å; K817-S821 PolarHBondContact O-OG 3.27Å
818	Q	87.7	Confident	89.1	Confident	53 Å²	53	67.9 Å²	67.9	25%	0.248	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-42.7	176.2	-60.8	179.6	-3.8	0	0	112.1	Y758 H770 Y803 S816 W820 S821 V822	Y758-Q818 HydrophobicContact CE1-CG 4.03Å; H770-Q818 PolarHBondContact NE2-NE2 3.4Å; Y803-Q818 HydrophobicContact CD1-CB 4Å; Y803-Q818 HydrophobicContact CG-CB 4.28Å; S816-Q818 PolarHBondContact O-N 2.85Å; S816-Q818 VanDerWaalsContact O-N 3.1Å; Q818-W820 PolarHBondContact O-N 2.85Å; Q818-S821 PolarHBondContact O-N 3.03Å; Q818-V822 WeakPolarHBondContact O-CG2 3.45Å; Q818-V822 PolarHBondContact O-N 3.17Å
819	Y	89.3	Confident	89.5	Confident	60 Å²	60	61.4 Å²	61.4	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-56.1	-52.1	177.5	178	-96.1	0	0	0	111.3	F815 S816 S821 V822 L823	F815-Y819 HydrophobicContact CB-CD1 4.17Å; F815-Y819 HydrophobicContact CB-CG 4.34Å; F815-Y819 AromaticContact CD1-CD1 3.89Å; F815-Y819 HydrophobicContact CD1-CD1 3.89Å; F815-Y819 AromaticContact CD1-CD2 3.8Å; F815-Y819 HydrophobicContact CD1-CD2 3.8Å; F815-Y819 HydrophobicContact CD1-CE1 4.1Å; F815-Y819 HydrophobicContact CD1-CE2 4Å; F815-Y819 AromaticContact CD1-CG 3.74Å; F815-Y819 HydrophobicContact CD1-CG 3.74Å; F815-Y819 HydrophobicContact CE1-CD2 4.1Å; F815-Y819 HydrophobicContact CE1-CE1 4.33Å; F815-Y819 AromaticContact CE1-CE2 3.86Å; F815-Y819 HydrophobicContact CE1-CE2 3.86Å; F815-Y819 HydrophobicContact CE1-CG 4.43Å; F815-Y819 AromaticContact CE1-CZ 3.99Å; F815-Y819 HydrophobicContact CG-CD1 4.13Å; F815-Y819 HydrophobicContact CG-CE1 4.4Å; F815-Y819 HydrophobicContact CG-CG 4.33Å; S816-Y819 VanDerWaalsContact O-CB 3.3Å; S816-Y819 WeakPolarHBondContact O-CB 3.34Å; S816-Y819 PolarHBondContact O-N 3.34Å; Y819-S821 VanDerWaalsContact C-N 3.32Å; Y819-S821 PolarHBondContact O-N 3.11Å; Y819-V822 PolarHBondContact O-N 3.08Å; Y819-L823 HydrophobicContact CE1-CD2 4Å; Y819-L823 WeakPolarHBondContact O-CB 3.12Å; Y819-L823 PolarHBondContact O-N 3.15Å
820	W	91.6	Very high	89.9	Confident	152 Å²	152	60.2 Å²	60.2	58%	0.576	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-179.1	-67.4	107	0	0	0	112.5	K817 Q818 L823 A824	K817-W820 PolarHBondContact O-N 3.35Å; Q818-W820 PolarHBondContact O-N 2.85Å; W820-L823 HydrophobicContact CE3-CD2 4.05Å; W820-L823 HydrophobicContact CZ3-CD2 3.98Å; W820-L823 PolarHBondContact O-N 3.44Å; W820-A824 VanDerWaalsContact O-CB 3.29Å; W820-A824 WeakPolarHBondContact O-CB 3.41Å; W820-A824 PolarHBondContact O-N 3.39Å
821	S	91.8	Very high	90.3	Very high	29 Å²	29	59.5 Å²	59.5	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-44.9	176.2	-54.9	0	0	0	0	111.4	K817 Q818 Y819 A824 A825	K817-S821 PolarHBondContact O-N 2.64Å; K817-S821 PolarHBondContact O-OG 3.27Å; Q818-S821 PolarHBondContact O-N 3.03Å; Y819-S821 VanDerWaalsContact C-N 3.32Å; Y819-S821 PolarHBondContact O-N 3.11Å; S821-A824 PolarHBondContact O-N 3.09Å; S821-A825 WeakPolarHBondContact O-CB 3.39Å; S821-A825 PolarHBondContact O-N 2.98Å
822	V	91.3	Very high	90.8	Very high	4 Å²	4	61 Å²	61	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-41.1	176.2	174	0	0	0	0	111	P750 V753 Y803 Q818 Y819 A825 R826	P750-V822 HydrophobicContact CB-CG1 4.38Å; P750-V822 HydrophobicContact CG-CG1 4.04Å; V753-V822 HydrophobicContact CB-CG2 4.42Å; V753-V822 HydrophobicContact CG1-CG2 4.03Å; Y803-V822 HydrophobicContact CD2-CG2 4.42Å; Y803-V822 HydrophobicContact CE2-CB 4.34Å; Y803-V822 HydrophobicContact CE2-CG1 4.24Å; Y803-V822 HydrophobicContact CE2-CG2 3.95Å; Q818-V822 WeakPolarHBondContact O-CG2 3.45Å; Q818-V822 PolarHBondContact O-N 3.17Å; Y819-V822 PolarHBondContact O-N 3.08Å; V822-A825 PolarHBondContact O-N 2.64Å; V822-R826 HydrophobicContact CG1-CG 4.45Å; V822-R826 WeakPolarHBondContact O-CB 3.35Å; V822-R826 VanDerWaalsContact O-CG 3.28Å; V822-R826 WeakPolarHBondContact O-CG 3.01Å; V822-R826 PolarHBondContact O-N 3.26Å
823	L	91.8	Very high	91.3	Very high	37 Å²	37	59.5 Å²	59.5	19%	0.194	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-43	177	-177.3	62.8	0	0	0	112	F744 Y819 W820 R826 L827	F744-L823 HydrophobicContact CE1-CD1 4.19Å; Y819-L823 HydrophobicContact CE1-CD2 4Å; Y819-L823 WeakPolarHBondContact O-CB 3.12Å; Y819-L823 PolarHBondContact O-N 3.15Å; W820-L823 HydrophobicContact CE3-CD2 4.05Å; W820-L823 HydrophobicContact CZ3-CD2 3.98Å; W820-L823 PolarHBondContact O-N 3.44Å; L823-R826 WeakPolarHBondContact O-CB 3.46Å; L823-R826 PolarHBondContact O-N 3.18Å; L823-L827 WeakPolarHBondContact O-CG 3.37Å; L823-L827 PolarHBondContact O-N 2.84Å
824	A	94.2	Very high	91.8	Very high	59 Å²	59	60.6 Å²	60.6	49%	0.488	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.2	0	0	0	0	0	111.2	W820 S821 R826 L827 A828	W820-A824 VanDerWaalsContact O-CB 3.29Å; W820-A824 WeakPolarHBondContact O-CB 3.41Å; W820-A824 PolarHBondContact O-N 3.39Å; S821-A824 PolarHBondContact O-N 3.09Å; A824-R826 VanDerWaalsContact C-N 3.32Å; A824-R826 PolarHBondContact O-N 3.03Å; A824-L827 PolarHBondContact O-N 2.86Å; A824-A828 VanDerWaalsContact O-CB 3.31Å; A824-A828 WeakPolarHBondContact O-CB 3.36Å; A824-A828 PolarHBondContact O-N 3.28Å
825	A	94.4	Very high	92	Very high	25 Å²	25	62 Å²	62	21%	0.207	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-38.8	175.7	0	0	0	0	0	112.4	V749 V753 S821 V822 A828 F829	V749-A825 HydrophobicContact CG1-CB 3.97Å; V753-A825 HydrophobicContact CG2-CB 3.5Å; S821-A825 WeakPolarHBondContact O-CB 3.39Å; S821-A825 PolarHBondContact O-N 2.98Å; V822-A825 PolarHBondContact O-N 2.64Å; A825-A828 PolarHBondContact O-N 3.16Å; A825-F829 VanDerWaalsContact O-CB 3.31Å; A825-F829 WeakPolarHBondContact O-CB 3.5Å; A825-F829 PolarHBondContact O-N 3.24Å
826	R	93.6	Very high	92.3	Very high	47 Å²	47	60.9 Å²	60.9	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-49.3	174.6	-81.2	179.5	165.2	158.8	0.4	112.2	S743 F744 V749 V822 L823 A824 F829 V830	S743-R826 WeakPolarHBondContact O-CD 3.46Å; S743-R826 WeakPolarHBondContact O-CG 3.33Å; S743-R826 PolarHBondContact O-NE 3.18Å; S743-R826 VanDerWaalsContact OG-C 3.22Å; S743-R826 WeakPolarHBondContact OG-CA 3.44Å; S743-R826 WeakPolarHBondContact OG-CB 3.49Å; S743-R826 WeakPolarHBondContact OG-CG 3.01Å; S743-R826 PolarHBondContact OG-O 3.11Å; F744-R826 HydrophobicContact CE1-CB 4.46Å; V749-R826 HydrophobicContact CB-CG 4.16Å; V749-R826 HydrophobicContact CG1-CG 3.81Å; V822-R826 HydrophobicContact CG1-CG 4.45Å; V822-R826 WeakPolarHBondContact O-CB 3.35Å; V822-R826 VanDerWaalsContact O-CG 3.28Å; V822-R826 WeakPolarHBondContact O-CG 3.01Å; V822-R826 PolarHBondContact O-N 3.26Å; L823-R826 WeakPolarHBondContact O-CB 3.46Å; L823-R826 PolarHBondContact O-N 3.18Å; A824-R826 VanDerWaalsContact C-N 3.32Å; A824-R826 PolarHBondContact O-N 3.03Å; R826-F829 PolarHBondContact O-N 3.47Å; R826-V830 WeakPolarHBondContact O-CG2 3.41Å; R826-V830 PolarHBondContact O-N 2.98Å; R826-V830 VanDerWaalsContact O-N 3.12Å
827	L	94.6	Very high	92.4	Very high	86 Å²	86	60.4 Å²	60.4	45%	0.45	31%	0.305	S	S	.	.	H	α-helix	trans	-67.7	-41.6	179.3	-66.5	174.7	0	0	0	111.6	F744 L823 A824 F829 V830 I831	F744-L827 HydrophobicContact CZ-CD2 4.04Å; L823-L827 WeakPolarHBondContact O-CG 3.37Å; L823-L827 PolarHBondContact O-N 2.84Å; A824-L827 PolarHBondContact O-N 2.86Å; L827-F829 VanDerWaalsContact C-N 3.33Å; L827-F829 PolarHBondContact O-N 2.97Å; L827-V830 PolarHBondContact O-N 2.92Å; L827-I831 WeakPolarHBondContact O-CG1 3.39Å; L827-I831 PolarHBondContact O-N 3.49Å
828	A	95.1	Very high	92.5	Very high	57 Å²	57	56 Å²	56	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-42.6	175.9	0	0	0	0	0	111.8	A824 A825 I831 F832	A824-A828 VanDerWaalsContact O-CB 3.31Å; A824-A828 WeakPolarHBondContact O-CB 3.36Å; A824-A828 PolarHBondContact O-N 3.28Å; A825-A828 PolarHBondContact O-N 3.16Å; A828-I831 PolarHBondContact O-N 3.35Å; A828-F832 WeakPolarHBondContact O-CB 3.14Å; A828-F832 PolarHBondContact O-N 3.02Å
829	F	94.1	Very high	92.7	Very high	30 Å²	30	59.5 Å²	59.5	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-44.8	175.3	-179.8	-91.6	0	0	0	111.9	V364 I742 F748 V749 A825 R826 L827 I831 F832 F833	V364-F829 HydrophobicContact CG1-CZ 4.14Å; I742-F829 HydrophobicContact CB-CE1 3.9Å; I742-F829 HydrophobicContact CB-CZ 4.43Å; I742-F829 HydrophobicContact CG2-CD1 4.45Å; I742-F829 HydrophobicContact CG2-CE1 3.46Å; I742-F829 VanDerWaalsContact CG2-CE1 3.46Å; I742-F829 HydrophobicContact CG2-CZ 3.62Å; F748-F829 HydrophobicContact CD1-CE2 4.48Å; F748-F829 HydrophobicContact CE1-CE2 4.04Å; F748-F829 HydrophobicContact CE1-CZ 4.49Å; V749-F829 HydrophobicContact CG2-CB 4.23Å; V749-F829 HydrophobicContact CG2-CD1 4.27Å; V749-F829 HydrophobicContact CG2-CG 4.08Å; A825-F829 VanDerWaalsContact O-CB 3.31Å; A825-F829 WeakPolarHBondContact O-CB 3.5Å; A825-F829 PolarHBondContact O-N 3.24Å; R826-F829 PolarHBondContact O-N 3.47Å; L827-F829 VanDerWaalsContact C-N 3.33Å; L827-F829 PolarHBondContact O-N 2.97Å; F829-I831 PolarHBondContact O-N 2.9Å; F829-F832 PolarHBondContact O-N 2.72Å; F829-F833 HydrophobicContact CD1-CB 4.5Å; F829-F833 HydrophobicContact CE1-CB 4.16Å; F829-F833 HydrophobicContact CE1-CD2 4.23Å; F829-F833 HydrophobicContact CE1-CG 4.36Å; F829-F833 HydrophobicContact CZ-CB 4.38Å; F829-F833 AromaticContact CZ-CD2 3.95Å; F829-F833 HydrophobicContact CZ-CD2 3.95Å; F829-F833 HydrophobicContact CZ-CG 4.48Å; F829-F833 WeakPolarHBondContact O-CB 3.41Å; F829-F833 PolarHBondContact O-N 3.42Å
830	V	94.5	Very high	92.8	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-48.4	177.9	172.2	0	0	0	0	110.8	A739 F740 S743 F744 R826 L827 F832 F833 Q834	A739-V830 HydrophobicContact CB-CG1 4.17Å; A739-V830 HydrophobicContact CB-CG2 4.49Å; F740-V830 HydrophobicContact CD2-CG1 4.3Å; F740-V830 HydrophobicContact CE2-CG1 4Å; F740-V830 HydrophobicContact CZ-CG1 4.29Å; S743-V830 VanDerWaalsContact CB-CG2 3.48Å; F744-V830 HydrophobicContact CE2-CG2 4.48Å; R826-V830 WeakPolarHBondContact O-CG2 3.41Å; R826-V830 PolarHBondContact O-N 2.98Å; R826-V830 VanDerWaalsContact O-N 3.12Å; L827-V830 PolarHBondContact O-N 2.92Å; V830-F832 PolarHBondContact O-N 3.36Å; V830-F833 PolarHBondContact O-N 3.19Å; V830-Q834 WeakPolarHBondContact O-CB 3.3Å; V830-Q834 PolarHBondContact O-N 3.39Å
831	I	94.4	Very high	92.6	Very high	102 Å²	102	52.7 Å²	52.7	52%	0.523	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-45.9	179.7	-65.7	167.4	0	0	0	110.5	L827 A828 F829 N835	L827-I831 WeakPolarHBondContact O-CG1 3.39Å; L827-I831 PolarHBondContact O-N 3.49Å; A828-I831 PolarHBondContact O-N 3.35Å; F829-I831 PolarHBondContact O-N 2.9Å; I831-N835 WeakPolarHBondContact CG2-ND2 3.25Å; I831-N835 WeakPolarHBondContact O-CB 3.49Å; I831-N835 PolarHBondContact O-N 2.9Å; I831-N835 VanDerWaalsContact O-N 3.13Å; I831-N835 PolarHBondContact O-ND2 3.07Å
832	F	93.7	Very high	92.4	Very high	136 Å²	136	58.2 Å²	58.2	60%	0.596	31%	0.308	S	S	*	.	H	α-helix	trans	-64.4	-51.6	179.8	178.2	-99.2	0	0	0	111.9	A828 F829 V830 Q834 N835 L836	A828-F832 WeakPolarHBondContact O-CB 3.14Å; A828-F832 PolarHBondContact O-N 3.02Å; F829-F832 PolarHBondContact O-N 2.72Å; V830-F832 PolarHBondContact O-N 3.36Å; F832-Q834 PolarHBondContact O-N 3.31Å; F832-N835 PolarHBondContact O-N 3.5Å; F832-L836 HydrophobicContact CE1-CD2 3.87Å; F832-L836 HydrophobicContact CZ-CD2 4.04Å; F832-L836 VanDerWaalsContact O-CB 3.25Å; F832-L836 WeakPolarHBondContact O-CB 3.44Å; F832-L836 PolarHBondContact O-N 3.45Å
833	F	92.6	Very high	92.4	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-46.4	-179.1	-176.9	-82.4	0	0	0	111.3	A367 I368 A739 I742 F829 V830 L836 A837	A367-F833 HydrophobicContact CB-CE2 4.48Å; A367-F833 HydrophobicContact CB-CZ 4.06Å; I368-F833 HydrophobicContact CD1-CE2 4.25Å; I368-F833 HydrophobicContact CG1-CD2 4.28Å; I368-F833 HydrophobicContact CG1-CE2 3.54Å; I368-F833 HydrophobicContact CG1-CZ 4.11Å; A739-F833 HydrophobicContact CB-CB 4.4Å; A739-F833 HydrophobicContact CB-CD1 3.53Å; A739-F833 HydrophobicContact CB-CE1 4.15Å; A739-F833 HydrophobicContact CB-CG 4.23Å; I742-F833 HydrophobicContact CD1-CE2 4.01Å; I742-F833 HydrophobicContact CD1-CZ 4.17Å; F829-F833 HydrophobicContact CD1-CB 4.5Å; F829-F833 HydrophobicContact CE1-CB 4.16Å; F829-F833 HydrophobicContact CE1-CD2 4.23Å; F829-F833 HydrophobicContact CE1-CG 4.36Å; F829-F833 HydrophobicContact CZ-CB 4.38Å; F829-F833 AromaticContact CZ-CD2 3.95Å; F829-F833 HydrophobicContact CZ-CD2 3.95Å; F829-F833 HydrophobicContact CZ-CG 4.48Å; F829-F833 WeakPolarHBondContact O-CB 3.41Å; F829-F833 PolarHBondContact O-N 3.42Å; V830-F833 PolarHBondContact O-N 3.19Å; F833-L836 PolarHBondContact O-N 3.37Å; F833-A837 HydrophobicContact CE1-CB 4.43Å; F833-A837 VanDerWaalsContact O-CB 3.27Å; F833-A837 WeakPolarHBondContact O-CB 3.39Å; F833-A837 PolarHBondContact O-N 3.32Å
834	Q	93.1	Very high	92.3	Very high	50 Å²	50	60.2 Å²	60.2	23%	0.234	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-50.7	-179.2	-170.7	-165.5	-20.1	0	0	111.2	V735 I736 V830 F832 L836 M838	V735-Q834 HydrophobicContact CG1-CG 4.45Å; I736-Q834 HydrophobicContact CG1-CG 4.24Å; V830-Q834 WeakPolarHBondContact O-CB 3.3Å; V830-Q834 PolarHBondContact O-N 3.39Å; F832-Q834 PolarHBondContact O-N 3.31Å; Q834-L836 PolarHBondContact O-N 2.88Å; Q834-M838 HydrophobicContact CG-CE 3.68Å; Q834-M838 HydrophobicContact CG-SD 4.08Å; Q834-M838 WeakPolarHBondContact O-CB 3.46Å; Q834-M838 VanDerWaalsContact O-CG 3.24Å; Q834-M838 WeakPolarHBondContact O-CG 3.33Å; Q834-M838 PolarHBondContact O-N 3.46Å
835	N	93	Very high	91.9	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-42	-179.5	-75.5	-57.7	0	0	0	111.9	I831 F832 F839	I831-N835 WeakPolarHBondContact CG2-ND2 3.25Å; I831-N835 WeakPolarHBondContact O-CB 3.49Å; I831-N835 PolarHBondContact O-N 2.9Å; I831-N835 VanDerWaalsContact O-N 3.13Å; I831-N835 PolarHBondContact O-ND2 3.07Å; F832-N835 PolarHBondContact O-N 3.5Å; N835-F839 VanDerWaalsContact O-CB 3.22Å; N835-F839 WeakPolarHBondContact O-CB 3.41Å; N835-F839 PolarHBondContact O-N 3.22Å
836	L	92.4	Very high	91.6	Very high	63 Å²	63	68.4 Å²	68.4	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-51.6	178	179.5	63.5	0	0	0	111.4	F832 F833 Q834 F839 L840	F832-L836 HydrophobicContact CE1-CD2 3.87Å; F832-L836 HydrophobicContact CZ-CD2 4.04Å; F832-L836 VanDerWaalsContact O-CB 3.25Å; F832-L836 WeakPolarHBondContact O-CB 3.44Å; F832-L836 PolarHBondContact O-N 3.45Å; F833-L836 PolarHBondContact O-N 3.37Å; Q834-L836 PolarHBondContact O-N 2.88Å; L836-F839 PolarHBondContact O-N 2.92Å; L836-L840 HydrophobicContact CD1-CD1 4.09Å; L836-L840 HydrophobicContact CD1-CG 4.28Å; L836-L840 HydrophobicContact CG-CD1 4.01Å; L836-L840 WeakPolarHBondContact O-CB 3.34Å; L836-L840 VanDerWaalsContact O-CG 3.24Å; L836-L840 WeakPolarHBondContact O-CG 3.32Å; L836-L840 PolarHBondContact O-N 2.97Å
837	A	90	Very high	91.4	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-42.5	-178.9	0	0	0	0	0	111.9	V735 F833 F839 L840 S841	V735-A837 HydrophobicContact CG1-CB 3.59Å; V735-A837 HydrophobicContact CG2-CB 4.47Å; F833-A837 HydrophobicContact CE1-CB 4.43Å; F833-A837 VanDerWaalsContact O-CB 3.27Å; F833-A837 WeakPolarHBondContact O-CB 3.39Å; F833-A837 PolarHBondContact O-N 3.32Å; A837-F839 PolarHBondContact O-N 3.04Å; A837-L840 PolarHBondContact O-N 3.29Å; A837-S841 WeakPolarHBondContact O-CB 3.41Å; A837-S841 PolarHBondContact O-N 3.39Å; A837-S841 PolarHBondContact O-OG 3.09Å; A837-S841 VanDerWaalsContact O-OG 3.12Å
838	M	89.3	Confident	91.1	Very high	78 Å²	78	70 Å²	70	38%	0.384	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-41.8	176.1	-71.2	-172.9	-52.5	0	0	112.3	V735 Q834 S841 M842	V735-M838 HydrophobicContact CG1-CG 4.17Å; Q834-M838 HydrophobicContact CG-CE 3.68Å; Q834-M838 HydrophobicContact CG-SD 4.08Å; Q834-M838 WeakPolarHBondContact O-CB 3.46Å; Q834-M838 VanDerWaalsContact O-CG 3.24Å; Q834-M838 WeakPolarHBondContact O-CG 3.33Å; Q834-M838 PolarHBondContact O-N 3.46Å; M838-S841 PolarHBondContact O-N 3.1Å; M838-M842 WeakPolarHBondContact O-CB 3.42Å; M838-M842 PolarHBondContact O-N 3.46Å
839	F	92.3	Very high	90.7	Very high	127 Å²	127	70.4 Å²	70.4	56%	0.557	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-47.3	175.8	172.9	-101.1	0	0	0	111.6	N835 L836 A837 S841 M842 L843	N835-F839 VanDerWaalsContact O-CB 3.22Å; N835-F839 WeakPolarHBondContact O-CB 3.41Å; N835-F839 PolarHBondContact O-N 3.22Å; L836-F839 PolarHBondContact O-N 2.92Å; A837-F839 PolarHBondContact O-N 3.04Å; F839-S841 PolarHBondContact O-N 3.38Å; F839-M842 PolarHBondContact O-N 3.06Å; F839-L843 HydrophobicContact CE1-CD1 4.1Å; F839-L843 HydrophobicContact CZ-CD1 4.16Å; F839-L843 WeakPolarHBondContact O-CB 3.29Å; F839-L843 PolarHBondContact O-N 3.28Å
840	L	90.4	Very high	90.3	Very high	45 Å²	45	72.9 Å²	72.9	24%	0.236	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-43.3	177.9	-75.4	176.1	0	0	0	112.1	I368 L372 L836 A837 M842 L843 V844	I368-L840 HydrophobicContact CG2-CD1 4.27Å; L372-L840 HydrophobicContact CD2-CB 3.75Å; L372-L840 HydrophobicContact CG-CB 4.49Å; L836-L840 HydrophobicContact CD1-CD1 4.09Å; L836-L840 HydrophobicContact CD1-CG 4.28Å; L836-L840 HydrophobicContact CG-CD1 4.01Å; L836-L840 WeakPolarHBondContact O-CB 3.34Å; L836-L840 VanDerWaalsContact O-CG 3.24Å; L836-L840 WeakPolarHBondContact O-CG 3.32Å; L836-L840 PolarHBondContact O-N 2.97Å; A837-L840 PolarHBondContact O-N 3.29Å; L840-M842 PolarHBondContact O-N 2.78Å; L840-L843 WeakPolarHBondContact O-CB 3.03Å; L840-L843 PolarHBondContact O-N 3.29Å; L840-V844 WeakPolarHBondContact O-CG2 3.48Å; L840-V844 PolarHBondContact O-N 3.05Å
841	S	88.1	Confident	89.7	Confident	24 Å²	24	74.2 Å²	74.2	17%	0.168	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-39.6	175.9	-66.7	0	0	0	0	112.6	S371 A837 M838 F839 V844 A845	S371-S841 PolarHBondContact O-OG 3.28Å; A837-S841 WeakPolarHBondContact O-CB 3.41Å; A837-S841 PolarHBondContact O-N 3.39Å; A837-S841 PolarHBondContact O-OG 3.09Å; A837-S841 VanDerWaalsContact O-OG 3.12Å; M838-S841 PolarHBondContact O-N 3.1Å; F839-S841 PolarHBondContact O-N 3.38Å; S841-V844 PolarHBondContact O-N 3.44Å; S841-A845 PolarHBondContact O-N 3.46Å; S841-A845 VanDerWaalsContact O-N 3.07Å
842	M	87.9	Confident	89.2	Confident	145 Å²	145	69.8 Å²	69.8	71%	0.714	35%	0.348	S	S	*	.	H	α-helix	trans	-66.2	-38.5	174.6	-176.3	176.2	-116.6	0	0	111.9	M838 F839 L840 A845 W846	M838-M842 WeakPolarHBondContact O-CB 3.42Å; M838-M842 PolarHBondContact O-N 3.46Å; F839-M842 PolarHBondContact O-N 3.06Å; L840-M842 PolarHBondContact O-N 2.78Å; M842-A845 PolarHBondContact O-N 3.27Å; M842-W846 WeakPolarHBondContact O-CB 3.5Å; M842-W846 PolarHBondContact O-N 2.91Å
843	L	90.9	Very high	88.6	Confident	65 Å²	65	72.8 Å²	72.8	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-42.1	176.1	-177	151	0	0	0	111.3	F839 L840 W846 M847	F839-L843 HydrophobicContact CE1-CD1 4.1Å; F839-L843 HydrophobicContact CZ-CD1 4.16Å; F839-L843 WeakPolarHBondContact O-CB 3.29Å; F839-L843 PolarHBondContact O-N 3.28Å; L840-L843 WeakPolarHBondContact O-CB 3.03Å; L840-L843 PolarHBondContact O-N 3.29Å; L843-W846 PolarHBondContact O-N 3.1Å; L843-M847 HydrophobicContact CD2-CG 4.14Å; L843-M847 HydrophobicContact CD2-SD 3.42Å; L843-M847 WeakPolarHBondContact CD2-SD 3Å; L843-M847 HydrophobicContact CG-SD 4.4Å; L843-M847 WeakPolarHBondContact O-CB 3.18Å; L843-M847 WeakPolarHBondContact O-CG 3.33Å; L843-M847 PolarHBondContact O-N 2.78Å
844	V	89.6	Confident	87.8	Confident	19 Å²	19	75 Å²	75	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-60.1	-47.7	173.1	169.3	0	0	0	0	111.2	L372 A375 C376 L840 S841 W846 M847 I848	L372-V844 HydrophobicContact CD2-CG2 3.7Å; A375-V844 HydrophobicContact CB-CB 4.38Å; A375-V844 HydrophobicContact CB-CG1 4.21Å; C376-V844 VanDerWaalsContact SG-CG1 3.59Å; L840-V844 WeakPolarHBondContact O-CG2 3.48Å; L840-V844 PolarHBondContact O-N 3.05Å; S841-V844 PolarHBondContact O-N 3.44Å; V844-W846 PolarHBondContact O-N 3.27Å; V844-M847 PolarHBondContact O-N 3.37Å; V844-I848 HydrophobicContact CG1-CD1 3.72Å; V844-I848 HydrophobicContact CG1-CG1 4.48Å; V844-I848 WeakPolarHBondContact O-CG1 3.19Å; V844-I848 PolarHBondContact O-N 2.94Å
845	A	85.4	Confident	87.1	Confident	40 Å²	40	73.3 Å²	73.3	33%	0.331	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-33.7	178	0	0	0	0	0	112.5	E379 S841 M842	E379-A845 HydrophobicContact CG-CB 4.34Å; S841-A845 PolarHBondContact O-N 3.46Å; S841-A845 VanDerWaalsContact O-N 3.07Å; M842-A845 PolarHBondContact O-N 3.27Å
846	W	89.2	Confident	86.6	Confident	216 Å²	216	75.6 Å²	75.6	82%	0.818	37%	0.366	S	S	*	.	H	α-helix	trans	-74.3	-37.2	175.4	179.7	76.4	0	0	0	113.1	M842 L843 V844	M842-W846 WeakPolarHBondContact O-CB 3.5Å; M842-W846 PolarHBondContact O-N 2.91Å; L843-W846 PolarHBondContact O-N 3.1Å; V844-W846 PolarHBondContact O-N 3.27Å
847	M	90	Very high	86.1	Confident	126 Å²	126	78.2 Å²	78.2	62%	0.621	38%	0.377	S	S	*	.	H	α-helix	trans	-73.3	-32.7	-178.8	-76.5	-175.3	66.9	0	0	113.6	L843 V844 P849	L843-M847 HydrophobicContact CD2-CG 4.14Å; L843-M847 HydrophobicContact CD2-SD 3.42Å; L843-M847 WeakPolarHBondContact CD2-SD 3Å; L843-M847 HydrophobicContact CG-SD 4.4Å; L843-M847 WeakPolarHBondContact O-CB 3.18Å; L843-M847 WeakPolarHBondContact O-CG 3.33Å; L843-M847 PolarHBondContact O-N 2.78Å; V844-M847 PolarHBondContact O-N 3.37Å; M847-P849 WeakPolarHBondContact O-CD 3.24Å
848	I	87.6	Confident	85.5	Confident	40 Å²	40	80.8 Å²	80.8	21%	0.205	39%	0.388	C	S	.	.	S	Bend	trans	-93.1	111.5	-176.2	-60.7	176	0	0	0	109.1	E379 V844	E379-I848 HydrophobicContact CB-CB 4.3Å; E379-I848 HydrophobicContact CB-CD1 4.3Å; E379-I848 HydrophobicContact CB-CG2 4.05Å; V844-I848 HydrophobicContact CG1-CD1 3.72Å; V844-I848 HydrophobicContact CG1-CG1 4.48Å; V844-I848 WeakPolarHBondContact O-CG1 3.19Å; V844-I848 PolarHBondContact O-N 2.94Å
849	P	86.7	Confident	85	Confident	65 Å²	65	80 Å²	80	42%	0.422	39%	0.386	S	S	.	.			trans	-72.1	135.2	178.2	28.9	-34	0	0	0	111.3	R383 M847 V851	R383-P849 WeakPolarHBondContact CD-O 3.06Å; R383-P849 WeakPolarHBondContact CG-O 2.96Å; M847-P849 WeakPolarHBondContact O-CD 3.24Å; P849-V851 PolarHBondContact O-N 2.01Å
850	D	85.1	Confident	84.6	Confident	82 Å²	82	79.8 Å²	79.8	44%	0.439	39%	0.385	S	S	.	.	S	Bend	trans	-56.6	-35.9	179.8	-62.3	-54	0	0	0	113.1	K382 R383	K382-D850 IonicContact NZ-OD1 2.85Å; K382-D850 PolarHBondContact NZ-OD1 3.48Å; R383-D850 VanDerWaalsContact CG-O 3.27Å; R383-D850 WeakPolarHBondContact CG-O 3.23Å
851	V	83.1	Confident	84.2	Confident	37 Å²	37	83.4 Å²	83.4	22%	0.224	40%	0.398	C	S	.	.	S	Bend	trans	-106.9	119.1	179.4	-176.6	0	0	0	0	110.2	M386 P849 R853 R856	M386-V851 HydrophobicContact CE-CG2 3.87Å; P849-V851 PolarHBondContact O-N 2.01Å; V851-R853 PolarHBondContact O-N 3.23Å; V851-R856 HydrophobicContact CG1-CB 4.37Å
852	P	83.8	Confident	83.7	Confident	9 Å²	9	83.3 Å²	83.3	6%	0.058	40%	0.395	C	S	.	.			trans	-63.6	137.4	177.3	20.9	-25.7	0	0	0	111.2	S854 L855 R856	P852-S854 VanDerWaalsContact C-N 3.27Å; P852-S854 PolarHBondContact O-N 3.03Å; P852-L855 HydrophobicContact CG-CB 3.8Å; P852-L855 HydrophobicContact CG-CD2 4.25Å; P852-L855 PolarHBondContact O-N 2.87Å; P852-L855 VanDerWaalsContact O-N 3.09Å; P852-R856 PolarHBondContact O-N 2.03Å; P852-R856 VanDerWaalsContact O-N 3.16Å
853	R	80.1	Confident	83.5	Confident	200 Å²	200	80.8 Å²	80.8	76%	0.755	38%	0.384	S	S	*	.	H	α-helix	trans	-56.7	-39.6	-177.5	-67.3	-175.2	-178.7	179.9	0.7	112.9	V851 L855 R856 E857	V851-R853 PolarHBondContact O-N 3.23Å; R853-L855 VanDerWaalsContact C-N 3.34Å; R853-L855 PolarHBondContact O-N 3.47Å; R853-R856 PolarHBondContact O-N 2.85Å; R853-E857 PolarHBondContact O-N 3.48Å
854	S	75.9	Confident	83.2	Confident	51 Å²	51	84.1 Å²	84.1	36%	0.357	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-41.4	177.4	47.7	0	0	0	0	113	P852 E857 Q858	P852-S854 VanDerWaalsContact C-N 3.27Å; P852-S854 PolarHBondContact O-N 3.03Å; S854-E857 PolarHBondContact O-N 3.24Å; S854-Q858 VanDerWaalsContact O-CB 3.29Å; S854-Q858 WeakPolarHBondContact O-CB 3.12Å; S854-Q858 PolarHBondContact O-N 3.38Å
855	L	79.5	Confident	82.9	Confident	16 Å²	16	84.1 Å²	84.1	8%	0.084	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-41.5	178.4	-176.1	66.8	0	0	0	110.8	H390 P852 R853 E857 Q858 L859	H390-L855 HydrophobicContact CB-CD1 3.85Å; H390-L855 HydrophobicContact CB-CD2 4.36Å; H390-L855 WeakPolarHBondContact ND1-CD1 3.29Å; P852-L855 HydrophobicContact CG-CB 3.8Å; P852-L855 HydrophobicContact CG-CD2 4.25Å; P852-L855 PolarHBondContact O-N 2.87Å; P852-L855 VanDerWaalsContact O-N 3.09Å; R853-L855 VanDerWaalsContact C-N 3.34Å; R853-L855 PolarHBondContact O-N 3.47Å; L855-E857 VanDerWaalsContact C-N 3.33Å; L855-E857 PolarHBondContact O-N 2.64Å; L855-Q858 PolarHBondContact O-N 3.36Å; L855-L859 VanDerWaalsContact O-CB 3.28Å; L855-L859 WeakPolarHBondContact O-CB 3.38Å; L855-L859 PolarHBondContact O-N 3.37Å
856	R	81.6	Confident	82.7	Confident	138 Å²	138	83.6 Å²	83.6	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-42.3	176.9	-170.9	-176.7	-63.6	-167.3	-1	111.9	V851 P852 R853 K860	V851-R856 HydrophobicContact CG1-CB 4.37Å; P852-R856 PolarHBondContact O-N 2.03Å; P852-R856 VanDerWaalsContact O-N 3.16Å; R853-R856 PolarHBondContact O-N 2.85Å; R856-K860 WeakPolarHBondContact O-CG 3.41Å; R856-K860 PolarHBondContact O-N 2.95Å
857	E	82.3	Confident	82.5	Confident	118 Å²	118	79.2 Å²	79.2	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-67.9	-42.3	175.9	-73	173.5	-163	0	0	112.1	R853 S854 L855 K860 K861	R853-E857 PolarHBondContact O-N 3.48Å; S854-E857 PolarHBondContact O-N 3.24Å; L855-E857 VanDerWaalsContact C-N 3.33Å; L855-E857 PolarHBondContact O-N 2.64Å; E857-K860 PolarHBondContact O-N 2.88Å; E857-K861 WeakPolarHBondContact O-CG 3.44Å; E857-K861 PolarHBondContact O-N 3.39Å; E857-K861 VanDerWaalsContact O-N 3.09Å
858	Q	76.5	Confident	82.3	Confident	55 Å²	55	79.2 Å²	79.2	26%	0.257	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-47.1	177.6	-177.8	173.9	-7.3	0	0	111.3	S854 L855 K860 K861 E862	S854-Q858 VanDerWaalsContact O-CB 3.29Å; S854-Q858 WeakPolarHBondContact O-CB 3.12Å; S854-Q858 PolarHBondContact O-N 3.38Å; L855-Q858 PolarHBondContact O-N 3.36Å; Q858-K860 VanDerWaalsContact C-N 3.32Å; Q858-K860 PolarHBondContact O-N 2.92Å; Q858-K861 PolarHBondContact O-N 3.19Å; Q858-K861 VanDerWaalsContact O-N 3.12Å; Q858-E862 HydrophobicContact CG-CG 4.27Å; Q858-E862 WeakPolarHBondContact CG-OE1 3.46Å; Q858-E862 PolarHBondContact NE2-OE1 3.38Å; Q858-E862 WeakPolarHBondContact O-CG 3.34Å; Q858-E862 PolarHBondContact O-N 3.1Å
859	L	80.2	Confident	82.1	Confident	63 Å²	63	79 Å²	79	33%	0.33	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-40.5	178.8	-171	147.5	0	0	0	111.8	L855 K861 N863	L855-L859 VanDerWaalsContact O-CB 3.28Å; L855-L859 WeakPolarHBondContact O-CB 3.38Å; L855-L859 PolarHBondContact O-N 3.37Å; L859-K861 PolarHBondContact O-N 3.12Å; L859-N863 WeakPolarHBondContact CD2-ND2 3.41Å; L859-N863 VanDerWaalsContact O-CB 3.31Å; L859-N863 WeakPolarHBondContact O-CB 3.44Å; L859-N863 PolarHBondContact O-N 3.24Å; L859-N863 PolarHBondContact O-ND2 3.47Å
860	K	83.1	Confident	81.9	Confident	122 Å²	122	77.7 Å²	77.7	53%	0.53	37%	0.369	S	S	.	.	H	α-helix	trans	-60.3	-44.9	173.4	-76	179	179.2	-170.2	0	112.1	R856 E857 Q858 M864	R856-K860 WeakPolarHBondContact O-CG 3.41Å; R856-K860 PolarHBondContact O-N 2.95Å; E857-K860 PolarHBondContact O-N 2.88Å; Q858-K860 VanDerWaalsContact C-N 3.32Å; Q858-K860 PolarHBondContact O-N 2.92Å; K860-M864 VanDerWaalsContact O-CG 3.29Å; K860-M864 WeakPolarHBondContact O-CG 3.19Å; K860-M864 PolarHBondContact O-N 3.26Å
861	K	82	Confident	81.9	Confident	121 Å²	121	78.6 Å²	78.6	53%	0.526	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-44.6	179.6	-72.3	178.2	-178.8	177.8	0	112.4	E857 Q858 L859 N863 M864 A865	E857-K861 WeakPolarHBondContact O-CG 3.44Å; E857-K861 PolarHBondContact O-N 3.39Å; E857-K861 VanDerWaalsContact O-N 3.09Å; Q858-K861 PolarHBondContact O-N 3.19Å; Q858-K861 VanDerWaalsContact O-N 3.12Å; L859-K861 PolarHBondContact O-N 3.12Å; K861-N863 VanDerWaalsContact C-N 3.34Å; K861-N863 PolarHBondContact O-N 3.15Å; K861-M864 PolarHBondContact O-N 2.76Å; K861-A865 WeakPolarHBondContact O-CB 3.37Å; K861-A865 PolarHBondContact O-N 3.22Å
862	E	78.1	Confident	81.8	Confident	22 Å²	22	78.6 Å²	78.6	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-45.4	177.6	-71.8	-177.5	-164.1	0	0	110.4	K169 L171 H390 Q858 A865 L866	K169-E862 VanDerWaalsContact CD-OE1 3.31Å; K169-E862 WeakPolarHBondContact CD-OE1 3.34Å; K169-E862 VanDerWaalsContact NZ-CD 3.26Å; K169-E862 IonicContact NZ-OE1 2.74Å; K169-E862 PolarHBondContact NZ-OE1 3.19Å; K169-E862 IonicContact NZ-OE2 3.72Å; K169-E862 PolarHBondContact NZ-OE2 3.44Å; L171-E862 HydrophobicContact CD2-CB 3.92Å; L171-E862 HydrophobicContact CD2-CG 3.87Å; H390-E862 IonicContact CE1-OE1 3.89Å; H390-E862 IonicContact CE1-OE2 3.03Å; H390-E862 PolarHBondContact CE1-OE2 2.98Å; H390-E862 IonicContact NE2-OE2 2.74Å; Q858-E862 HydrophobicContact CG-CG 4.27Å; Q858-E862 WeakPolarHBondContact CG-OE1 3.46Å; Q858-E862 PolarHBondContact NE2-OE1 3.38Å; Q858-E862 WeakPolarHBondContact O-CG 3.34Å; Q858-E862 PolarHBondContact O-N 3.1Å; E862-A865 PolarHBondContact O-N 3.49Å; E862-L866 WeakPolarHBondContact O-CB 3.49Å; E862-L866 PolarHBondContact O-N 3.16Å
863	N	82.5	Confident	81.5	Confident	91 Å²	91	82.5 Å²	82.5	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176.9	-72.6	-9.2	0	0	0	112.7	L859 K861 M867	L859-N863 WeakPolarHBondContact CD2-ND2 3.41Å; L859-N863 VanDerWaalsContact O-CB 3.31Å; L859-N863 WeakPolarHBondContact O-CB 3.44Å; L859-N863 PolarHBondContact O-N 3.24Å; L859-N863 PolarHBondContact O-ND2 3.47Å; K861-N863 VanDerWaalsContact C-N 3.34Å; K861-N863 PolarHBondContact O-N 3.15Å; N863-M867 WeakPolarHBondContact O-CB 3.42Å; N863-M867 PolarHBondContact O-N 2.83Å
864	M	85.4	Confident	81	Confident	136 Å²	136	78.1 Å²	78.1	67%	0.67	39%	0.39	S	S	*	.	H	α-helix	trans	-62.9	-47.1	176	-73.6	178.3	-160	0	0	111.8	K860 K861 L866 M867 E868	K860-M864 VanDerWaalsContact O-CG 3.29Å; K860-M864 WeakPolarHBondContact O-CG 3.19Å; K860-M864 PolarHBondContact O-N 3.26Å; K861-M864 PolarHBondContact O-N 2.76Å; M864-L866 VanDerWaalsContact C-N 3.34Å; M864-L866 PolarHBondContact O-N 3.39Å; M864-M867 PolarHBondContact O-N 3.43Å; M864-E868 WeakPolarHBondContact O-CB 3.49Å; M864-E868 PolarHBondContact O-N 3.33Å
865	A	82.9	Confident	80.1	Confident	18 Å²	18	86.2 Å²	86.2	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-66.5	-36	-178.2	0	0	0	0	0	112.6	K124 L171 K861 E862 F869	K124-A865 PolarHBondContact NZ-O 3.01Å; L171-A865 HydrophobicContact CD1-CB 4.12Å; K861-A865 WeakPolarHBondContact O-CB 3.37Å; K861-A865 PolarHBondContact O-N 3.22Å; E862-A865 PolarHBondContact O-N 3.49Å; A865-F869 WeakPolarHBondContact O-CB 3.42Å; A865-F869 PolarHBondContact O-N 2.7Å; A865-F869 VanDerWaalsContact O-N 3.11Å
866	L	81.8	Confident	80.2	Confident	30 Å²	30	89.8 Å²	89.8	16%	0.157	44%	0.439	C	S	.	.	H	α-helix	trans	-67.7	-45.9	173.5	-179.8	65.2	0	0	0	110.9	H173 E862 M864 E868 F869 L870	H173-L866 HydrophobicContact CB-CD1 4.11Å; E862-L866 WeakPolarHBondContact O-CB 3.49Å; E862-L866 PolarHBondContact O-N 3.16Å; M864-L866 VanDerWaalsContact C-N 3.34Å; M864-L866 PolarHBondContact O-N 3.39Å; L866-E868 PolarHBondContact O-N 3.3Å; L866-F869 WeakPolarHBondContact O-CB 3.29Å; L866-F869 PolarHBondContact O-N 3.3Å; L866-F869 VanDerWaalsContact O-N 3.17Å; L866-L870 HydrophobicContact CD1-CD1 4.36Å; L866-L870 HydrophobicContact CD1-CG 4.39Å; L866-L870 HydrophobicContact CG-CD1 4.11Å; L866-L870 WeakPolarHBondContact O-CG 3.21Å; L866-L870 PolarHBondContact O-N 3.3Å
867	M	83.8	Confident	80.1	Confident	124 Å²	124	87.2 Å²	87.2	61%	0.611	44%	0.435	S	S	*	.	H	α-helix	trans	-63.3	-43.1	179.3	-175	164.4	154.5	0	0	111.7	N863 M864 F869 L870 L871	N863-M867 WeakPolarHBondContact O-CB 3.42Å; N863-M867 PolarHBondContact O-N 2.83Å; M864-M867 PolarHBondContact O-N 3.43Å; M867-F869 VanDerWaalsContact C-N 3.32Å; M867-F869 PolarHBondContact O-N 3.43Å; M867-L870 PolarHBondContact O-N 3.32Å; M867-L871 HydrophobicContact CG-CD1 4.16Å; M867-L871 WeakPolarHBondContact O-CB 3.39Å; M867-L871 VanDerWaalsContact O-CG 3.27Å; M867-L871 WeakPolarHBondContact O-CG 3.12Å; M867-L871 PolarHBondContact O-N 3.44Å
868	E	86.8	Confident	80	Confident	126 Å²	126	85.5 Å²	85.5	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-60.3	-40.2	172.7	-176.3	-166.9	-145.7	0	0	112.1	K124 M864 L866 G872	K124-E868 IonicContact NZ-OE2 3.61Å; K124-E868 PolarHBondContact NZ-OE2 3.18Å; M864-E868 WeakPolarHBondContact O-CB 3.49Å; M864-E868 PolarHBondContact O-N 3.33Å; L866-E868 PolarHBondContact O-N 3.3Å; E868-G872 PolarHBondContact O-N 3.21Å
869	F	83.1	Confident	80.2	Confident	34 Å²	34	87.3 Å²	87.3	15%	0.149	44%	0.439	C	S	.	.	H	α-helix	trans	-66.2	-43.3	177.5	178.8	-107.9	0	0	0	112.9	V122 K124 L182 A865 L866 M867 G872 Q873	V122-F869 HydrophobicContact CG1-CD1 3.73Å; V122-F869 HydrophobicContact CG1-CE1 3.16Å; V122-F869 HydrophobicContact CG1-CZ 3.72Å; K124-F869 HydrophobicContact CB-CD2 3.88Å; K124-F869 HydrophobicContact CB-CE2 4.14Å; K124-F869 HydrophobicContact CB-CG 4.16Å; K124-F869 HydrophobicContact CD-CB 3.59Å; K124-F869 HydrophobicContact CD-CD2 3.7Å; K124-F869 HydrophobicContact CD-CG 3.86Å; K124-F869 HydrophobicContact CG-CD2 4.33Å; L182-F869 HydrophobicContact CB-CE1 4.34Å; L182-F869 HydrophobicContact CD2-CE1 3.72Å; L182-F869 HydrophobicContact CD2-CZ 3.94Å; A865-F869 WeakPolarHBondContact O-CB 3.42Å; A865-F869 PolarHBondContact O-N 2.7Å; A865-F869 VanDerWaalsContact O-N 3.11Å; L866-F869 WeakPolarHBondContact O-CB 3.29Å; L866-F869 PolarHBondContact O-N 3.3Å; L866-F869 VanDerWaalsContact O-N 3.17Å; M867-F869 VanDerWaalsContact C-N 3.32Å; M867-F869 PolarHBondContact O-N 3.43Å; F869-G872 PolarHBondContact O-N 3.46Å; F869-Q873 HydrophobicContact CE1-CG 4.5Å; F869-Q873 HydrophobicContact CE2-CG 4.24Å; F869-Q873 HydrophobicContact CZ-CG 4.17Å; F869-Q873 WeakPolarHBondContact O-CG 2.83Å; F869-Q873 PolarHBondContact O-N 2.75Å
870	L	82.3	Confident	80.2	Confident	39 Å²	39	88.8 Å²	88.8	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-65.1	-45	178.2	-67.6	172.2	0	0	0	110.8	L182 L866 M867 G872 Q873 D874	L182-L870 HydrophobicContact CD1-CD2 4.37Å; L866-L870 HydrophobicContact CD1-CD1 4.36Å; L866-L870 HydrophobicContact CD1-CG 4.39Å; L866-L870 HydrophobicContact CG-CD1 4.11Å; L866-L870 WeakPolarHBondContact O-CG 3.21Å; L866-L870 PolarHBondContact O-N 3.3Å; M867-L870 PolarHBondContact O-N 3.32Å; L870-G872 VanDerWaalsContact C-N 3.33Å; L870-G872 PolarHBondContact O-N 3.12Å; L870-Q873 PolarHBondContact O-N 3.33Å; L870-D874 PolarHBondContact O-N 3.34Å
871	L	85.4	Confident	80	Confident	100 Å²	100	86.6 Å²	86.6	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-61.1	-39.6	176.3	-71.9	170.6	0	0	0	112.5	M867 Q873 D874 Q875	M867-L871 HydrophobicContact CG-CD1 4.16Å; M867-L871 WeakPolarHBondContact O-CB 3.39Å; M867-L871 VanDerWaalsContact O-CG 3.27Å; M867-L871 WeakPolarHBondContact O-CG 3.12Å; M867-L871 PolarHBondContact O-N 3.44Å; L871-Q873 VanDerWaalsContact C-N 3.26Å; L871-Q873 PolarHBondContact O-N 2.79Å; L871-D874 PolarHBondContact O-N 3.23Å; L871-Q875 PolarHBondContact O-N 2.91Å
872	G	81.4	Confident	79.8	Confident	38 Å²	38	84.1 Å²	84.1	39%	0.392	43%	0.433	S	S	.	.	H	α-helix	trans	-75.4	-5.9	178.6	0	0	0	0	0	115.4	E868 F869 L870	E868-G872 PolarHBondContact O-N 3.21Å; F869-G872 PolarHBondContact O-N 3.46Å; L870-G872 VanDerWaalsContact C-N 3.33Å; L870-G872 PolarHBondContact O-N 3.12Å
873	Q	77	Confident	80	Confident	91 Å²	91	88.9 Å²	88.9	43%	0.425	46%	0.459	S	S	.	.	H	α-helix	trans	-103.7	-20.8	172.6	-69.4	-71.6	-72.7	0	0	112.4	H181 L182 F869 L870 L871 Q875	H181-Q873 PolarHBondContact CD2-OE1 3.16Å; L182-Q873 HydrophobicContact CD2-CB 4.08Å; L182-Q873 HydrophobicContact CD2-CG 3.7Å; F869-Q873 HydrophobicContact CE1-CG 4.5Å; F869-Q873 HydrophobicContact CE2-CG 4.24Å; F869-Q873 HydrophobicContact CZ-CG 4.17Å; F869-Q873 WeakPolarHBondContact O-CG 2.83Å; F869-Q873 PolarHBondContact O-N 2.75Å; L870-Q873 PolarHBondContact O-N 3.33Å; L871-Q873 VanDerWaalsContact C-N 3.26Å; L871-Q873 PolarHBondContact O-N 2.79Å; Q873-Q875 VanDerWaalsContact C-N 3.34Å
874	D	69.4	Low	79.8	Confident	108 Å²	108	88.8 Å²	88.8	58%	0.578	46%	0.457	S	S	*	.	H	α-helix	trans	-83.8	-13.1	174.1	-69.2	-23	0	0	0	112.3	K179 L870 L871	K179-D874 IonicContact NZ-OD1 2.75Å; K179-D874 PolarHBondContact NZ-OD1 2.84Å; K179-D874 IonicContact NZ-OD2 3.62Å; L870-D874 PolarHBondContact O-N 3.34Å; L871-D874 PolarHBondContact O-N 3.23Å
875	Q	57.8	Low	79.3	Confident	221 Å²	221	84.5 Å²	84.5	100%	1.033	44%	0.437	S	S	*	.			trans	-88	0	166.1	-71.5	-178.9	-10.5	0	0	110.9	L871 Q873	L871-Q875 PolarHBondContact O-N 2.91Å; Q873-Q875 VanDerWaalsContact C-N 3.34Å

Retrieved 875 of 875 residues in 213.9 ms (Link to these results)

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