A0A3Q0KKH6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KKH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 541 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	34.5	Very low	242 Å²	242	144 Å²	144	100%	1.192	84%	0.835	S	S	*	*				0	130.9	0	-78.2	174	163.9	0	0	108.1
2	K	36.5	Very low	34.4	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.826	84%	0.838	S	S	*	*			trans	46	108.6	162.7	-60.8	178.7	179.6	-179.6	0	117.2
3	N	33.4	Very low	34.2	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	84%	0.842	S	S	*	*				66.3	138.7	83.2	-60.1	7.7	0	0	0	111.8
4	I	37	Very low	34.1	Very low	160 Å²	160	150.3 Å²	150.3	82%	0.821	85%	0.845	S	S	*	*			cis	-146.8	160.1	30.2	-56.9	164.7	0	0	0	109.7
5	S	33.7	Very low	33.8	Very low	107 Å²	107	152.3 Å²	152.3	75%	0.748	84%	0.844	S	S	*	*			trans	-76.2	-171.8	170	61.4	0	0	0	0	112.7
6	S	33.8	Very low	33.8	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	84%	0.842	S	S	*	*			cis	-152.5	-169.7	7.9	51.7	0	0	0	0	108.1
7	A	37.9	Very low	33.7	Very low	77 Å²	77	151.3 Å²	151.3	64%	0.636	84%	0.843	S	S	*	*			cis	-158.1	166.6	9.6	0	0	0	0	0	112.8
8	S	34.2	Very low	33.4	Very low	120 Å²	120	147.9 Å²	147.9	84%	0.839	83%	0.83	S	S	*	*			trans	42.4	126.5	145.5	62.6	0	0	0	0	122.7
9	G	33.7	Very low	33.5	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	82%	0.823	S	S	*	*			trans	146.4	55.2	146.9	0	0	0	0	0	117.7
10	D	30.7	Very low	33.8	Very low	164 Å²	164	142.7 Å²	142.7	88%	0.877	81%	0.81	S	S	*	*			trans	-78.5	131.9	161.9	-81.3	-48.1	0	0	0	110.1
11	E	33.1	Very low	34.1	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	79%	0.791	S	S	*	*				-175.4	132.2	122.8	-102.7	177.6	-156.2	0	0	110.5
12	T	33.4	Very low	34.2	Very low	141 Å²	141	135 Å²	135	87%	0.865	78%	0.776	S	S	*	*			trans	-110.4	100.9	176.4	42.4	0	0	0	0	110.1
13	E	31.9	Very low	34.3	Very low	190 Å²	190	131.3 Å²	131.3	89%	0.888	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-72.2	131.7	174.9	-68.9	-171.2	124.2	0	0	111.8
14	Q	32.3	Very low	34.6	Very low	189 Å²	189	133.7 Å²	133.7	88%	0.883	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-102.9	127.3	167.2	-72.1	-177.5	-17.6	0	0	109.4
15	E	30.3	Very low	35	Very low	180 Å²	180	129.3 Å²	129.3	84%	0.841	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.1	139.2	-177.4	-66.6	-166.4	156.7	0	0	114.1
16	P	33.7	Very low	36	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	74%	0.744	S	S	*	*			trans	-89.1	103.2	169.6	33.2	-31	0	0	0	112.4	C18	P16-C18 PolarHBondContact O-N 3.48Å; P16-C18 VanDerWaalsContact O-N 3.08Å
17	L	31.5	Very low	37.4	Very low	163 Å²	163	123.5 Å²	123.5	85%	0.853	71%	0.713	S	S	*	*			trans	-64.2	101.5	175.7	-85.8	152.9	0	0	0	113.8	S19	L17-S19 PolarHBondContact O-N 2.58Å
18	C	28	Very low	39.3	Very low	90 Å²	90	123.2 Å²	123.2	61%	0.608	70%	0.703	S	S	*	*			trans	-85.2	82	167.9	-172	0	0	0	0	111.4	P16 T20	P16-C18 PolarHBondContact O-N 3.48Å; P16-C18 VanDerWaalsContact O-N 3.08Å; C18-T20 PolarHBondContact O-N 2.93Å
19	S	35.4	Very low	41.5	Very low	100 Å²	100	121.5 Å²	121.5	70%	0.699	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-75.7	117.5	179.5	65.7	0	0	0	0	112	L17	L17-S19 PolarHBondContact O-N 2.58Å
20	T	39.9	Very low	43.9	Very low	92 Å²	92	120.7 Å²	120.7	56%	0.564	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-78.8	162.9	-172.1	45.7	0	0	0	0	115.4	C18 N475	C18-T20 PolarHBondContact O-N 2.93Å; T20-N475 WeakPolarHBondContact CG2-ND2 3.39Å
21	S	39.5	Very low	46.3	Very low	58 Å²	58	121.6 Å²	121.6	41%	0.406	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-55.4	143.5	-169.5	54.6	0	0	0	0	118.8	K23	S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 2.71Å; S21-K23 WeakPolarHBondContact OG-CD 3.19Å; S21-K23 VanDerWaalsContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CE 3.08Å; S21-K23 VanDerWaalsContact OG-CG 3.3Å; S21-K23 WeakPolarHBondContact OG-CG 3.4Å
22	L	37.5	Very low	48.7	Very low	166 Å²	166	113.4 Å²	113.4	87%	0.869	61%	0.611	S	S	*	*			trans	-71.3	71.8	156.7	-89	156.9	0	0	0	112.2	K24	L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.75Å
23	K	39.8	Very low	50.8	Low	111 Å²	111	113 Å²	113	48%	0.483	60%	0.603	S	S	.	*			trans	-73.4	70.7	173.9	-80.8	164.9	-177.6	176.5	0	112.2	S21	S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 2.71Å; S21-K23 WeakPolarHBondContact OG-CD 3.19Å; S21-K23 VanDerWaalsContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CE 3.08Å; S21-K23 VanDerWaalsContact OG-CG 3.3Å; S21-K23 WeakPolarHBondContact OG-CG 3.4Å
24	K	39.7	Very low	53.1	Low	204 Å²	204	107 Å²	107	89%	0.887	58%	0.58	S	S	*	*	S	Bend	trans	-118.1	3	173.9	-100.4	-174.4	177.4	-179.2	0	116.1	L22	L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.75Å
25	S	44.4	Very low	55.2	Low	68 Å²	68	100.7 Å²	100.7	48%	0.476	56%	0.556	S	S	.	*	S	Bend	trans	-148.6	154.6	161.1	180	0	0	0	0	105.5	F27	S25-F27 PolarHBondContact O-N 2.82Å
26	G	54.9	Low	57.6	Low	68 Å²	68	95.7 Å²	95.7	70%	0.701	54%	0.54	S	S	*	.	S	Bend	trans	-64.7	13.7	-179.3	0	0	0	0	0	115.3
27	F	64.3	Low	60.1	Low	25 Å²	25	93 Å²	93	11%	0.11	52%	0.517	C	S	.	.			trans	-82.9	126.7	176.1	-178.9	-94.7	0	0	0	110.9	S25 Y29 R95 L105 V108	S25-F27 PolarHBondContact O-N 2.82Å; F27-Y29 HydrophobicContact CE1-CD2 4.26Å; F27-R95 HydrophobicContact CD1-CG 3.96Å; F27-R95 HydrophobicContact CD2-CG 3.92Å; F27-R95 HydrophobicContact CE1-CG 3.76Å; F27-R95 HydrophobicContact CE2-CG 3.72Å; F27-R95 HydrophobicContact CG-CG 4.02Å; F27-R95 HydrophobicContact CZ-CG 3.63Å; F27-L105 HydrophobicContact CE2-CB 4.32Å; F27-L105 HydrophobicContact CE2-CD2 3.59Å; F27-L105 HydrophobicContact CE2-CG 3.72Å; F27-L105 HydrophobicContact CZ-CD2 3.66Å; F27-L105 HydrophobicContact CZ-CG 4.08Å; F27-V108 HydrophobicContact CE1-CB 4.39Å; F27-V108 HydrophobicContact CZ-CB 4.13Å; F27-V108 HydrophobicContact CZ-CG2 3.86Å
28	V	76.3	Confident	62.8	Low	71 Å²	71	85.6 Å²	85.6	43%	0.43	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.2	-178.5	-175.5	0	0	0	0	110.4	V30 S107 V108	V28-V30 HydrophobicContact CG1-CG2 3.6Å; V28-S107 VanDerWaalsContact O-CA 3.23Å; V28-S107 WeakPolarHBondContact O-CA 3.43Å; V28-S107 VanDerWaalsContact O-CB 3.26Å; V28-S107 WeakPolarHBondContact O-CB 3.33Å; V28-V108 PolarHBondContact O-N 2.86Å
29	Y	82.1	Confident	65.8	Low	85 Å²	85	87.4 Å²	87.4	33%	0.333	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.5	168.7	-166.7	-82.1	0	0	0	109	F27 V108 E110	F27-Y29 HydrophobicContact CE1-CD2 4.26Å; Y29-V108 WeakPolarHBondContact CA-O 3.49Å; Y29-V108 HydrophobicContact CD2-CB 3.88Å; Y29-V108 HydrophobicContact CD2-CG1 3.85Å; Y29-V108 HydrophobicContact CE2-CB 4.06Å; Y29-V108 HydrophobicContact CE2-CG1 3.5Å; Y29-E110 HydrophobicContact CE1-CB 4.4Å; Y29-E110 PolarHBondContact OH-OE2 3.42Å
30	V	82.5	Confident	68.4	Low	62 Å²	62	88.1 Å²	88.1	38%	0.376	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	-176.7	-167.4	0	0	0	0	109.9	V28 I32 V108 A109 E110	V28-V30 HydrophobicContact CG1-CG2 3.6Å; V30-I32 HydrophobicContact CG1-CG2 3.94Å; V30-V108 PolarHBondContact N-O 2.91Å; V30-A109 CarbonylContact O-C 3.6Å; V30-A109 VanDerWaalsContact O-CA 3.28Å; V30-A109 WeakPolarHBondContact O-CA 2.98Å; V30-E110 PolarHBondContact O-N 3.48Å
31	R	82.1	Confident	70.8	Confident	182 Å²	182	87 Å²	87	69%	0.687	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	126	165.9	-162.1	176.6	-169.6	179.1	1.9	108.3	E110	R31-E110 CarbonylContact C-O 3.57Å; R31-E110 WeakPolarHBondContact CA-O 3.33Å
32	I	83.8	Confident	73.5	Confident	12 Å²	12	84.9 Å²	84.9	6%	0.062	45%	0.448	C	S	.	.			trans	-118.2	136.2	179.2	54.4	170	0	0	0	109.9	V30 Q37 A109 E110 S111 F116	V30-I32 HydrophobicContact CG1-CG2 3.94Å; I32-Q37 HydrophobicContact CB-CB 4.29Å; I32-Q37 HydrophobicContact CG2-CB 4.19Å; I32-A109 HydrophobicContact CD1-CB 4.06Å; I32-A109 HydrophobicContact CG1-CB 4.41Å; I32-E110 WeakPolarHBondContact CG1-O 3.24Å; I32-E110 PolarHBondContact N-O 2.96Å; I32-S111 VanDerWaalsContact O-CA 3.22Å; I32-S111 WeakPolarHBondContact O-CA 3.37Å; I32-S111 WeakPolarHBondContact O-CB 3.25Å; I32-F116 HydrophobicContact CD1-CD2 4.03Å; I32-F116 HydrophobicContact CD1-CE2 3.93Å
33	N	77.5	Confident	76.2	Confident	131 Å²	131	82.6 Å²	82.6	70%	0.701	43%	0.433	S	S	*	.	S	Bend	trans	-71.3	-39.2	179.5	-65.9	-20.9	0	0	0	111
34	T	78.8	Confident	78.9	Confident	65 Å²	65	80.4 Å²	80.4	40%	0.399	43%	0.426	S	S	.	.	S	Bend	trans	-133.8	148.6	177.7	71.7	0	0	0	0	111.5	S36 Q37	T34-S36 PolarHBondContact O-N 3.05Å; T34-S36 VanDerWaalsContact O-N 3.09Å; T34-Q37 PolarHBondContact O-N 2.83Å; T34-Q37 VanDerWaalsContact O-N 3.11Å
35	P	77.7	Confident	81.5	Confident	57 Å²	57	72.1 Å²	72.1	37%	0.37	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-50.9	-27.5	168.9	-33.3	39.9	0	0	0	114.9	Q37 L38 F116	P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.09Å; P35-L38 WeakPolarHBondContact O-CB 2.93Å; P35-L38 PolarHBondContact O-N 2.65Å; P35-F116 HydrophobicContact CB-CE2 4.41Å; P35-F116 HydrophobicContact CB-CZ 3.9Å; P35-F116 HydrophobicContact CG-CZ 4.29Å
36	S	80.5	Confident	83.9	Confident	75 Å²	75	73.2 Å²	73.2	52%	0.524	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-63.6	-31.8	179.4	-57.3	0	0	0	0	112.7	T34 L38 K39	T34-S36 PolarHBondContact O-N 3.05Å; T34-S36 VanDerWaalsContact O-N 3.09Å; S36-L38 PolarHBondContact O-N 3.12Å; S36-L38 VanDerWaalsContact O-N 3.14Å; S36-K39 VanDerWaalsContact O-CB 3.23Å; S36-K39 WeakPolarHBondContact O-CB 3.28Å; S36-K39 PolarHBondContact O-N 3.05Å
37	Q	86	Confident	85.9	Confident	69 Å²	69	73.4 Å²	73.4	32%	0.322	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-62.9	-20.7	178.1	-68.8	179	-51.9	0	0	113.3	I32 T34 P35 K39 D40	I32-Q37 HydrophobicContact CB-CB 4.29Å; I32-Q37 HydrophobicContact CG2-CB 4.19Å; T34-Q37 PolarHBondContact O-N 2.83Å; T34-Q37 VanDerWaalsContact O-N 3.11Å; P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 3.09Å; Q37-K39 PolarHBondContact O-N 3.09Å; Q37-D40 WeakPolarHBondContact CA-OD2 3.05Å; Q37-D40 WeakPolarHBondContact O-CB 3.29Å; Q37-D40 PolarHBondContact O-N 3.42Å; Q37-D40 VanDerWaalsContact O-N 3.17Å
38	L	89.3	Confident	87.1	Confident	7 Å²	7	76.6 Å²	76.6	4%	0.037	41%	0.408	C	S	.	.	H	α-helix	trans	-65	-28	172.7	-164.6	66.4	0	0	0	111.6	P35 S36 D40 V41 Y42 I44 I70 A109 F116	P35-L38 WeakPolarHBondContact O-CB 2.93Å; P35-L38 PolarHBondContact O-N 2.65Å; S36-L38 PolarHBondContact O-N 3.12Å; S36-L38 VanDerWaalsContact O-N 3.14Å; L38-D40 PolarHBondContact O-N 2.94Å; L38-V41 PolarHBondContact O-N 2.86Å; L38-Y42 HydrophobicContact CD1-CD2 3.65Å; L38-Y42 HydrophobicContact CD1-CE2 3.88Å; L38-Y42 HydrophobicContact CG-CD2 4.05Å; L38-Y42 PolarHBondContact O-N 3.45Å; L38-I44 HydrophobicContact CD2-CD1 4.38Å; L38-I70 HydrophobicContact CD2-CD1 4.13Å; L38-I70 HydrophobicContact CD2-CG2 3.92Å; L38-A109 HydrophobicContact CD1-CB 4.06Å; L38-F116 HydrophobicContact CD2-CB 4.17Å; L38-F116 HydrophobicContact CD2-CD1 3.48Å; L38-F116 VanDerWaalsContact CD2-CD1 3.48Å; L38-F116 HydrophobicContact CD2-CD2 4.3Å; L38-F116 HydrophobicContact CD2-CE1 3.86Å; L38-F116 HydrophobicContact CD2-CG 3.73Å; L38-F116 HydrophobicContact CD2-CZ 4.45Å
39	K	90.5	Very high	87.6	Confident	127 Å²	127	74.7 Å²	74.7	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-70.7	-16.9	175.9	-59.2	-173.6	176.9	-173	0	113.3	S36 Q37 V41 Y42 I44 K62	S36-K39 VanDerWaalsContact O-CB 3.23Å; S36-K39 WeakPolarHBondContact O-CB 3.28Å; S36-K39 PolarHBondContact O-N 3.05Å; Q37-K39 PolarHBondContact O-N 3.09Å; K39-V41 VanDerWaalsContact C-N 3.32Å; K39-Y42 CarbonylContact C-O 3.44Å; K39-Y42 WeakPolarHBondContact CA-O 3.24Å; K39-I44 HydrophobicContact CG-CD1 4.05Å; K39-K62 WeakPolarHBondContact O-CE 3.32Å; K39-K62 PolarHBondContact O-NZ 3.42Å
40	D	89.3	Confident	87.6	Confident	115 Å²	115	77.8 Å²	77.8	62%	0.615	42%	0.421	S	S	*	.	H	α-helix	trans	-75.1	-29.8	177	-56	-30.8	0	0	0	110.6	Q37 L38 K62	Q37-D40 WeakPolarHBondContact CA-OD2 3.05Å; Q37-D40 WeakPolarHBondContact O-CB 3.29Å; Q37-D40 PolarHBondContact O-N 3.42Å; Q37-D40 VanDerWaalsContact O-N 3.17Å; L38-D40 PolarHBondContact O-N 2.94Å; D40-K62 WeakPolarHBondContact O-CD 3.49Å
41	V	91.1	Very high	87.1	Confident	69 Å²	69	77 Å²	77	42%	0.418	43%	0.426	S	S	.	.	H	α-helix	trans	-99.9	-30.7	-178.8	-174	0	0	0	0	112.7	L38 K39 K62	L38-V41 PolarHBondContact O-N 2.86Å; K39-V41 VanDerWaalsContact C-N 3.32Å; V41-K62 WeakPolarHBondContact O-CB 3.29Å; V41-K62 PolarHBondContact O-N 3.4Å
42	Y	94.9	Very high	86.4	Confident	13 Å²	13	74.2 Å²	74.2	5%	0.051	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.3	-175.6	-61.9	-89.3	0	0	0	112.1	L38 K39 A59 L60 R61 I70 S107 I118	L38-Y42 HydrophobicContact CD1-CD2 3.65Å; L38-Y42 HydrophobicContact CD1-CE2 3.88Å; L38-Y42 HydrophobicContact CG-CD2 4.05Å; L38-Y42 PolarHBondContact O-N 3.45Å; K39-Y42 CarbonylContact C-O 3.44Å; K39-Y42 WeakPolarHBondContact CA-O 3.24Å; Y42-A59 HydrophobicContact CD1-CB 4.35Å; Y42-L60 CarbonylContact C-O 3.56Å; Y42-L60 WeakPolarHBondContact CA-O 3.4Å; Y42-R61 HydrophobicContact CD1-CB 3.95Å; Y42-R61 HydrophobicContact CD1-CG 4.37Å; Y42-R61 HydrophobicContact CE1-CB 3.77Å; Y42-R61 HydrophobicContact CE1-CG 3.98Å; Y42-I70 HydrophobicContact CD1-CD1 4.14Å; Y42-I70 HydrophobicContact CD2-CD1 4.33Å; Y42-I70 HydrophobicContact CG-CD1 3.93Å; Y42-S107 PolarHBondContact OH-OG 3.32Å; Y42-I118 HydrophobicContact CE1-CG2 3.96Å; Y42-I118 HydrophobicContact CE2-CG1 4.35Å
43	E	95.8	Very high	85.7	Confident	119 Å²	119	74.7 Å²	74.7	56%	0.556	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.3	160.5	-172.4	-179.4	151.6	0	0	108.1	A59 L60	E43-A59 CarbonylContact O-C 3.54Å; E43-A59 WeakPolarHBondContact O-CA 3.4Å; E43-A59 WeakPolarHBondContact O-CB 3.49Å; E43-L60 HydrophobicContact CB-CB 4.34Å; E43-L60 PolarHBondContact N-O 3.5Å; E43-L60 PolarHBondContact O-N 3.28Å
44	I	94.9	Very high	85.9	Confident	65 Å²	65	69.6 Å²	69.6	33%	0.333	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.2	-178.3	-54.5	178.8	0	0	0	108.6	L38 K39 Y57	L38-I44 HydrophobicContact CD2-CD1 4.38Å; K39-I44 HydrophobicContact CG-CD1 4.05Å; I44-Y57 HydrophobicContact CG2-CD1 3.97Å; I44-Y57 HydrophobicContact CG2-CG 4Å
45	G	94.7	Very high	86.4	Confident	29 Å²	29	68.7 Å²	68.7	30%	0.299	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-152.3	179.2	0	0	0	0	0	113.4	H58	G45-H58 WeakPolarHBondContact CA-O 3.33Å; G45-H58 PolarHBondContact N-O 3.4Å
46	P	95.8	Very high	87.1	Confident	91 Å²	91	67.9 Å²	67.9	59%	0.591	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	161.3	-175.1	28	-36.4	0	0	0	113.4	Y57 H58	P46-Y57 WeakPolarHBondContact O-CA 3.4Å; P46-H58 HydrophobicContact CG-CB 4.24Å; P46-H58 PolarHBondContact O-N 3.4Å
47	V	95.2	Very high	87.9	Confident	72 Å²	72	66.6 Å²	66.6	44%	0.436	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.2	167.1	175.5	0	0	0	0	108.9	E50 I55 V56 Y57	V47-E50 HydrophobicContact CG1-CG 4.35Å; V47-I55 HydrophobicContact CB-CG2 4.36Å; V47-I55 HydrophobicContact CG1-CG2 3.68Å; V47-I55 HydrophobicContact CG2-CG2 3.78Å; V47-V56 CarbonylContact C-O 3.59Å; V47-V56 WeakPolarHBondContact CA-O 3.44Å; V47-Y57 HydrophobicContact CG2-CD1 3.85Å; V47-Y57 HydrophobicContact CG2-CE1 3.54Å
48	L	91.5	Very high	88.3	Confident	92 Å²	92	65.2 Å²	65.2	48%	0.482	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-27.9	174	-67.1	172.2	0	0	0	112	V56 H58 A69 L121	L48-V56 HydrophobicContact CB-CG1 4.33Å; L48-V56 HydrophobicContact CD1-CG1 4.32Å; L48-V56 PolarHBondContact N-O 2.64Å; L48-H58 HydrophobicContact CD1-CB 4.05Å; L48-H58 HydrophobicContact CD2-CB 4.09Å; L48-H58 HydrophobicContact CG-CB 4Å; L48-A69 HydrophobicContact CD1-CB 4.31Å; L48-L121 HydrophobicContact CD1-CD1 3.47Å; L48-L121 VanDerWaalsContact CD1-CD1 3.47Å
49	G	86.4	Confident	88.7	Confident	31 Å²	31	64.9 Å²	64.9	32%	0.32	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	166.9	176.4	0	0	0	0	0	112.4	V56	G49-V56 PolarHBondContact N-O 3.28Å; G49-V56 PolarHBondContact O-N 3.35Å
50	E	82.3	Confident	89	Confident	150 Å²	150	61.4 Å²	61.4	70%	0.701	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.7	174.9	-55.4	-165.8	157.7	0	0	108.6	V47 I55	V47-E50 HydrophobicContact CG1-CG 4.35Å; E50-I55 HydrophobicContact CG-CG1 4.12Å; E50-I55 HydrophobicContact CG-CG2 4.32Å
51	G	70.6	Confident	89.3	Confident	47 Å²	47	58.1 Å²	58.1	49%	0.485	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	175.6	179.3	0	0	0	0	0	111.7	F53 G54	G51-F53 PolarHBondContact O-N 3.12Å; G51-G54 PolarHBondContact N-O 2.99Å; G51-G54 PolarHBondContact O-N 2.98Å
52	T	67.1	Low	89.4	Confident	122 Å²	122	60.6 Å²	60.6	75%	0.748	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-31.2	-175.1	-43	0	0	0	0	114.3
53	F	70.7	Confident	89.3	Confident	22 Å²	22	64.2 Å²	64.2	10%	0.096	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.8	-177.6	-56.8	-75.3	0	0	0	114.3	G51 I73 F79 E83 R86	G51-F53 PolarHBondContact O-N 3.12Å; F53-I73 HydrophobicContact CB-CD1 4.33Å; F53-I73 HydrophobicContact CB-CG1 4.35Å; F53-F79 AromaticContact CD1-CE1 3.87Å; F53-F79 HydrophobicContact CD1-CE1 3.87Å; F53-F79 HydrophobicContact CD1-CZ 4.15Å; F53-E83 HydrophobicContact CE1-CB 4.26Å; F53-E83 HydrophobicContact CE1-CG 4.35Å; F53-R86 HydrophobicContact CZ-CB 4.4Å
54	G	80.1	Confident	89.2	Confident	24 Å²	24	62.3 Å²	62.3	25%	0.247	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136	-161.8	-179.7	0	0	0	0	0	114.6	G51 K72	G51-G54 PolarHBondContact N-O 2.99Å; G51-G54 PolarHBondContact O-N 2.98Å; G54-K72 WeakPolarHBondContact CA-O 3.36Å
55	I	89.6	Confident	89.2	Confident	47 Å²	47	61.4 Å²	61.4	24%	0.241	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.1	-167.7	-54	176.9	0	0	0	110.3	V47 E50 Y57 K72	V47-I55 HydrophobicContact CB-CG2 4.36Å; V47-I55 HydrophobicContact CG1-CG2 3.68Å; V47-I55 HydrophobicContact CG2-CG2 3.78Å; E50-I55 HydrophobicContact CG-CG1 4.12Å; E50-I55 HydrophobicContact CG-CG2 4.32Å; I55-Y57 HydrophobicContact CB-CE2 3.86Å; I55-Y57 HydrophobicContact CG2-CD2 4.19Å; I55-Y57 HydrophobicContact CG2-CE1 4.17Å; I55-Y57 HydrophobicContact CG2-CE2 3.6Å; I55-K72 PolarHBondContact N-O 3.03Å; I55-K72 PolarHBondContact O-N 3Å
56	V	93.4	Very high	89.2	Confident	39 Å²	39	62.7 Å²	62.7	24%	0.236	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126	175	-172.6	0	0	0	0	109.6	V47 L48 G49 A69 I70 K71	V47-V56 CarbonylContact C-O 3.59Å; V47-V56 WeakPolarHBondContact CA-O 3.44Å; L48-V56 HydrophobicContact CB-CG1 4.33Å; L48-V56 HydrophobicContact CD1-CG1 4.32Å; L48-V56 PolarHBondContact N-O 2.64Å; G49-V56 PolarHBondContact N-O 3.28Å; G49-V56 PolarHBondContact O-N 3.35Å; V56-A69 HydrophobicContact CG1-CB 4.08Å; V56-I70 WeakPolarHBondContact CA-O 3.42Å; V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.12Å
57	Y	96	Very high	89.2	Confident	49 Å²	49	62.7 Å²	62.7	19%	0.192	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.7	176.8	-60.3	-93.7	0	0	0	111	I44 P46 V47 I55 A69 I70 K72	I44-Y57 HydrophobicContact CG2-CD1 3.97Å; I44-Y57 HydrophobicContact CG2-CG 4Å; P46-Y57 WeakPolarHBondContact O-CA 3.4Å; V47-Y57 HydrophobicContact CG2-CD1 3.85Å; V47-Y57 HydrophobicContact CG2-CE1 3.54Å; I55-Y57 HydrophobicContact CB-CE2 3.86Å; I55-Y57 HydrophobicContact CG2-CD2 4.19Å; I55-Y57 HydrophobicContact CG2-CE1 4.17Å; I55-Y57 HydrophobicContact CG2-CE2 3.6Å; Y57-A69 CarbonylContact O-C 3.55Å; Y57-A69 WeakPolarHBondContact O-CA 3.37Å; Y57-I70 PolarHBondContact N-O 3.26Å; Y57-I70 PolarHBondContact O-N 3.06Å; Y57-K72 HydrophobicContact CD2-CB 4.4Å; Y57-K72 HydrophobicContact CE2-CB 3.99Å; Y57-K72 HydrophobicContact CE2-CD 4.07Å
58	H	96.1	Very high	89.3	Confident	39 Å²	39	59.3 Å²	59.3	18%	0.181	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.3	158.8	179.3	-85.1	0	0	0	109	G45 P46 L48 L121	G45-H58 WeakPolarHBondContact CA-O 3.33Å; G45-H58 PolarHBondContact N-O 3.4Å; P46-H58 HydrophobicContact CG-CB 4.24Å; P46-H58 PolarHBondContact O-N 3.4Å; L48-H58 HydrophobicContact CD1-CB 4.05Å; L48-H58 HydrophobicContact CD2-CB 4.09Å; L48-H58 HydrophobicContact CG-CB 4Å; H58-L121 VanDerWaalsContact CD2-CD2 3.47Å; H58-L121 WeakPolarHBondContact CD2-CD2 3.35Å
59	A	96.9	Very high	89.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154	170.2	0	0	0	0	0	112.7	Y42 E43 C68 I70	Y42-A59 HydrophobicContact CD1-CB 4.35Å; E43-A59 CarbonylContact O-C 3.54Å; E43-A59 WeakPolarHBondContact O-CA 3.4Å; E43-A59 WeakPolarHBondContact O-CB 3.49Å; A59-C68 PolarHBondContact N-O 3.3Å; A59-C68 PolarHBondContact O-N 3.1Å; A59-I70 HydrophobicContact CB-CD1 3.4Å; A59-I70 HydrophobicContact CB-CG1 3.71Å
60	L	96.9	Very high	89.9	Confident	55 Å²	55	54 Å²	54	29%	0.288	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129	166.1	-58.5	176.8	0	0	0	108.8	Y42 E43 K62 K67	Y42-L60 CarbonylContact C-O 3.56Å; Y42-L60 WeakPolarHBondContact CA-O 3.4Å; E43-L60 HydrophobicContact CB-CB 4.34Å; E43-L60 PolarHBondContact N-O 3.5Å; E43-L60 PolarHBondContact O-N 3.28Å; L60-K62 PolarHBondContact O-N 3.26Å; L60-K67 HydrophobicContact CD2-CB 4.44Å; L60-K67 HydrophobicContact CD2-CG 3.77Å
61	R	94.6	Very high	90.4	Very high	45 Å²	45	48.6 Å²	48.6	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.3	172.3	-177.3	166.8	63.4	-178.8	2.1	109.3	Y42 T63 D64 G65 M66	Y42-R61 HydrophobicContact CD1-CB 3.95Å; Y42-R61 HydrophobicContact CD1-CG 4.37Å; Y42-R61 HydrophobicContact CE1-CB 3.77Å; Y42-R61 HydrophobicContact CE1-CG 3.98Å; R61-T63 VanDerWaalsContact C-N 3.25Å; R61-T63 WeakPolarHBondContact CG-OG1 3.48Å; R61-T63 PolarHBondContact O-N 3.49Å; R61-D64 WeakPolarHBondContact CB-OD1 3.41Å; R61-D64 WeakPolarHBondContact CG-OD1 3.5Å; R61-D64 IonicContact CZ-OD1 3.37Å; R61-D64 IonicContact CZ-OD2 2.69Å; R61-D64 IonicContact NE-OD1 3.3Å; R61-D64 PolarHBondContact NE-OD1 2.87Å; R61-D64 IonicContact NE-OD2 2.91Å; R61-D64 PolarHBondContact NE-OD2 3.3Å; R61-D64 IonicContact NH2-OD1 3.67Å; R61-D64 IonicContact NH2-OD2 3.16Å; R61-D64 PolarHBondContact NH2-OD2 2.89Å; R61-D64 PolarHBondContact O-N 3.16Å; R61-G65 VanDerWaalsContact O-CA 3.32Å; R61-G65 WeakPolarHBondContact O-CA 3.46Å; R61-G65 PolarHBondContact O-N 3.21Å; R61-M66 HydrophobicContact CB-CB 4.19Å; R61-M66 PolarHBondContact N-O 3.38Å; R61-M66 PolarHBondContact NH2-SD 3.45Å
62	K	94.2	Very high	91.4	Very high	122 Å²	122	50.2 Å²	50.2	53%	0.53	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.2	-170.6	-73.1	176.9	163.3	-175.7	0	114.7	K39 D40 V41 L60	K39-K62 WeakPolarHBondContact O-CE 3.32Å; K39-K62 PolarHBondContact O-NZ 3.42Å; D40-K62 WeakPolarHBondContact O-CD 3.49Å; V41-K62 WeakPolarHBondContact O-CB 3.29Å; V41-K62 PolarHBondContact O-N 3.4Å; L60-K62 PolarHBondContact O-N 3.26Å
63	T	92.8	Very high	92.3	Very high	89 Å²	89	44.4 Å²	44.4	55%	0.546	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-25.6	-177	51.2	0	0	0	0	114.2	R61	R61-T63 VanDerWaalsContact C-N 3.25Å; R61-T63 WeakPolarHBondContact CG-OG1 3.48Å; R61-T63 PolarHBondContact O-N 3.49Å
64	D	93.8	Very high	92.9	Very high	79 Å²	79	45.9 Å²	45.9	42%	0.422	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-150.8	-0.4	-168.7	64.8	-24.8	0	0	0	114.4	R61 M66	R61-D64 WeakPolarHBondContact CB-OD1 3.41Å; R61-D64 WeakPolarHBondContact CG-OD1 3.5Å; R61-D64 IonicContact CZ-OD1 3.37Å; R61-D64 IonicContact CZ-OD2 2.69Å; R61-D64 IonicContact NE-OD1 3.3Å; R61-D64 PolarHBondContact NE-OD1 2.87Å; R61-D64 IonicContact NE-OD2 2.91Å; R61-D64 PolarHBondContact NE-OD2 3.3Å; R61-D64 IonicContact NH2-OD1 3.67Å; R61-D64 IonicContact NH2-OD2 3.16Å; R61-D64 PolarHBondContact NH2-OD2 2.89Å; R61-D64 PolarHBondContact O-N 3.16Å; D64-M66 VanDerWaalsContact C-N 3.27Å; D64-M66 PolarHBondContact O-N 3.27Å; D64-M66 PolarHBondContact OD1-N 2.82Å
65	G	94.2	Very high	92.6	Very high	46 Å²	46	48.7 Å²	48.7	47%	0.474	25%	0.249	S	C	.	.			trans	74.6	8.7	-178.2	0	0	0	0	0	114.8	R61 K67	R61-G65 VanDerWaalsContact O-CA 3.32Å; R61-G65 WeakPolarHBondContact O-CA 3.46Å; R61-G65 PolarHBondContact O-N 3.21Å; G65-K67 PolarHBondContact O-N 3.06Å
66	M	94.7	Very high	91.5	Very high	55 Å²	55	50 Å²	50	27%	0.271	26%	0.256	S	S	.	.			trans	-61.6	120.8	-175.9	179.8	175.5	-72.4	0	0	111.5	R61 D64 C68 L106	R61-M66 HydrophobicContact CB-CB 4.19Å; R61-M66 PolarHBondContact N-O 3.38Å; R61-M66 PolarHBondContact NH2-SD 3.45Å; D64-M66 VanDerWaalsContact C-N 3.27Å; D64-M66 PolarHBondContact O-N 3.27Å; D64-M66 PolarHBondContact OD1-N 2.82Å; M66-C68 PolarHBondContact O-N 3.45Å; M66-C68 PolarHBondContact O-SG 3.04Å; M66-L106 HydrophobicContact SD-CD1 3.89Å; M66-L106 HydrophobicContact SD-CD2 4.36Å
67	K	96.8	Very high	89.7	Confident	92 Å²	92	56 Å²	56	40%	0.4	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.3	171	-65.2	-174.4	-171.1	174.9	0	110.4	L60 G65 L121 E123	L60-K67 HydrophobicContact CD2-CB 4.44Å; L60-K67 HydrophobicContact CD2-CG 3.77Å; G65-K67 PolarHBondContact O-N 3.06Å; K67-L121 HydrophobicContact CB-CB 4.09Å; K67-L121 HydrophobicContact CB-CD2 3.83Å; K67-L121 HydrophobicContact CD-CD2 3.89Å; K67-L121 HydrophobicContact CG-CD2 4.36Å; K67-E123 IonicContact NZ-OE1 2.84Å; K67-E123 PolarHBondContact NZ-OE1 2.75Å; K67-E123 IonicContact NZ-OE2 3.71Å; K67-E123 PolarHBondContact NZ-OE2 3.27Å
68	C	96.7	Very high	88	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.5	-178.2	-57.4	0	0	0	0	110.5	A59 M66 L106 I118 T119	A59-C68 PolarHBondContact N-O 3.3Å; A59-C68 PolarHBondContact O-N 3.1Å; M66-C68 PolarHBondContact O-N 3.45Å; M66-C68 PolarHBondContact O-SG 3.04Å; C68-L106 HydrophobicContact CB-CD1 4.41Å; C68-L106 VanDerWaalsContact SG-CD1 3.57Å; C68-I118 HydrophobicContact CB-CG2 3.84Å; C68-T119 VanDerWaalsContact CA-O 3.31Å; C68-T119 WeakPolarHBondContact CA-O 3.41Å
69	A	96	Very high	86.6	Confident	10 Å²	10	57.8 Å²	57.8	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.5	162	0	0	0	0	0	109.7	L48 V56 Y57 I118 T119 L121	L48-A69 HydrophobicContact CD1-CB 4.31Å; V56-A69 HydrophobicContact CG1-CB 4.08Å; Y57-A69 CarbonylContact O-C 3.55Å; Y57-A69 WeakPolarHBondContact O-CA 3.37Å; A69-I118 WeakPolarHBondContact O-CA 3.22Å; A69-T119 PolarHBondContact N-O 3.33Å; A69-T119 PolarHBondContact O-N 3.48Å; A69-L121 HydrophobicContact CB-CD1 4.14Å
70	I	95	Very high	85.5	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	103.7	-179.7	-55.9	-170.4	0	0	0	109.4	L38 Y42 V56 Y57 A59 K72 F116 L117 I118	L38-I70 HydrophobicContact CD2-CD1 4.13Å; L38-I70 HydrophobicContact CD2-CG2 3.92Å; Y42-I70 HydrophobicContact CD1-CD1 4.14Å; Y42-I70 HydrophobicContact CD2-CD1 4.33Å; Y42-I70 HydrophobicContact CG-CD1 3.93Å; V56-I70 WeakPolarHBondContact CA-O 3.42Å; Y57-I70 PolarHBondContact N-O 3.26Å; Y57-I70 PolarHBondContact O-N 3.06Å; A59-I70 HydrophobicContact CB-CD1 3.4Å; A59-I70 HydrophobicContact CB-CG1 3.71Å; I70-K72 PolarHBondContact O-N 3.47Å; I70-F116 HydrophobicContact CG2-CB 4.14Å; I70-F116 HydrophobicContact CG2-CD1 3.87Å; I70-F116 HydrophobicContact CG2-CG 4.47Å; I70-L117 WeakPolarHBondContact CA-O 3.44Å; I70-I118 HydrophobicContact CD1-CG1 4.34Å; I70-I118 HydrophobicContact CG1-CG1 4.12Å; I70-I118 HydrophobicContact CG1-CG2 4.37Å
71	K	92	Very high	84.6	Confident	37 Å²	37	61.1 Å²	61.1	16%	0.161	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	105.8	174.9	-174	-178.4	176.8	-170	0	108.8	V56 I73 E90 F116 L117	V56-K71 HydrophobicContact CG2-CB 4.21Å; V56-K71 HydrophobicContact CG2-CG 4.12Å; K71-I73 HydrophobicContact CD-CD1 4.1Å; K71-I73 HydrophobicContact CG-CD1 4.01Å; K71-I73 HydrophobicContact CG-CG1 4.03Å; K71-E90 IonicContact NZ-OE1 3.75Å; K71-E90 PolarHBondContact NZ-OE1 3.11Å; K71-E90 IonicContact NZ-OE2 2.64Å; K71-E90 PolarHBondContact NZ-OE2 3.4Å; K71-F116 WeakPolarHBondContact O-CA 3.29Å; K71-L117 HydrophobicContact CB-CB 4.26Å; K71-L117 HydrophobicContact CD-CD1 4.2Å; K71-L117 PolarHBondContact N-O 3.35Å; K71-L117 PolarHBondContact O-N 2.8Å
72	K	91.4	Very high	83.7	Confident	81 Å²	81	62 Å²	62	35%	0.352	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.9	179.2	176.3	-175.7	176.8	-168.8	0	110.5	G54 I55 Y57 I70 T114 F116	G54-K72 WeakPolarHBondContact CA-O 3.36Å; I55-K72 PolarHBondContact N-O 3.03Å; I55-K72 PolarHBondContact O-N 3Å; Y57-K72 HydrophobicContact CD2-CB 4.4Å; Y57-K72 HydrophobicContact CE2-CB 3.99Å; Y57-K72 HydrophobicContact CE2-CD 4.07Å; I70-K72 PolarHBondContact O-N 3.47Å; K72-T114 HydrophobicContact CG-CG2 3.71Å; K72-F116 HydrophobicContact CB-CD1 3.93Å; K72-F116 HydrophobicContact CB-CE1 3.86Å; K72-F116 HydrophobicContact CD-CE1 3.92Å; K72-F116 HydrophobicContact CD-CZ 4.49Å; K72-F116 HydrophobicContact CG-CD1 4.06Å; K72-F116 HydrophobicContact CG-CE1 3.53Å; K72-F116 HydrophobicContact CG-CZ 4.16Å
73	I	87.3	Confident	82.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.2	-168.2	-60.5	177.7	0	0	0	110.5	F53 K71 F79 L87 T114 I115 L117	F53-I73 HydrophobicContact CB-CD1 4.33Å; F53-I73 HydrophobicContact CB-CG1 4.35Å; K71-I73 HydrophobicContact CD-CD1 4.1Å; K71-I73 HydrophobicContact CG-CD1 4.01Å; K71-I73 HydrophobicContact CG-CG1 4.03Å; I73-F79 HydrophobicContact CG2-CE2 3.45Å; I73-F79 VanDerWaalsContact CG2-CE2 3.45Å; I73-F79 HydrophobicContact CG2-CZ 3.56Å; I73-L87 HydrophobicContact CD1-CD1 3.54Å; I73-L87 HydrophobicContact CD1-CD2 4.28Å; I73-L87 HydrophobicContact CG2-CD2 3.7Å; I73-T114 CarbonylContact O-C 3.54Å; I73-T114 VanDerWaalsContact O-CA 3.24Å; I73-T114 WeakPolarHBondContact O-CA 3.39Å; I73-T114 VanDerWaalsContact O-CG2 3.32Å; I73-T114 WeakPolarHBondContact O-CG2 3.28Å; I73-I115 HydrophobicContact CB-CB 4.43Å; I73-I115 PolarHBondContact N-O 3.33Å; I73-I115 PolarHBondContact O-N 2.79Å; I73-L117 HydrophobicContact CD1-CD1 4.02Å; I73-L117 HydrophobicContact CD1-CG 3.97Å
74	S	82.5	Confident	82.3	Confident	53 Å²	53	60.3 Å²	60.3	37%	0.371	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.7	-177.6	-177	0	0	0	0	112.4	I76 F79	S74-I76 PolarHBondContact OG-N 2.95Å; S74-F79 WeakPolarHBondContact O-CD2 3.36Å; S74-F79 WeakPolarHBondContact O-CE2 3.44Å
75	R	74.6	Confident	81.7	Confident	82 Å²	82	58.7 Å²	58.7	31%	0.309	33%	0.332	S	S	.	.			trans	-83.4	-12.2	173.4	-71.3	-169.1	163.6	-68.6	9.8	113.8	N77 E110 K113 I115	R75-N77 PolarHBondContact O-N 2.95Å; R75-E110 IonicContact CZ-OE1 2.8Å; R75-E110 IonicContact NE-OE1 2.71Å; R75-E110 PolarHBondContact NE-OE1 3.37Å; R75-E110 IonicContact NH2-OE1 2.69Å; R75-E110 PolarHBondContact NH2-OE1 3.22Å; R75-K113 PolarHBondContact N-O 3.48Å; R75-I115 HydrophobicContact CG-CG1 3.97Å; R75-I115 VanDerWaalsContact NH2-CD1 3.29Å
76	I	65.4	Low	81	Confident	75 Å²	75	59.8 Å²	59.8	39%	0.385	32%	0.322	S	S	.	.	S	Bend	trans	-81.5	116.1	-169.4	-48.5	176.3	0	0	0	110.9	S74 S78 K113	S74-I76 PolarHBondContact OG-N 2.95Å; I76-S78 PolarHBondContact O-N 3.4Å; I76-S78 PolarHBondContact O-OG 3.09Å; I76-K113 HydrophobicContact CD1-CB 3.91Å; I76-K113 HydrophobicContact CD1-CD 3.75Å; I76-K113 HydrophobicContact CD1-CG 3.79Å; I76-K113 HydrophobicContact CG1-CB 3.87Å; I76-K113 HydrophobicContact CG1-CD 4.37Å; I76-K113 HydrophobicContact CG1-CG 3.85Å
77	N	56.1	Low	80.5	Confident	166 Å²	166	57.3 Å²	57.3	89%	0.888	31%	0.309	S	S	*	.	S	Bend	trans	53.2	-8	163.1	-61	0.1	0	0	0	119.3	R75	R75-N77 PolarHBondContact O-N 2.95Å
78	S	59.8	Low	79.9	Confident	90 Å²	90	57.1 Å²	57.1	63%	0.629	31%	0.313	S	S	*	.			trans	-92	-25.2	-173.4	-54.1	0	0	0	0	114.4	I76	I76-S78 PolarHBondContact O-N 3.4Å; I76-S78 PolarHBondContact O-OG 3.09Å
79	F	67	Low	79.3	Confident	35 Å²	35	60.8 Å²	60.8	15%	0.154	33%	0.327	C	S	.	.			trans	-90.6	121.1	-172.8	-73.1	-47.9	0	0	0	114.4	F53 I73 S74 E83 R84 L87	F53-F79 AromaticContact CD1-CE1 3.87Å; F53-F79 HydrophobicContact CD1-CE1 3.87Å; F53-F79 HydrophobicContact CD1-CZ 4.15Å; I73-F79 HydrophobicContact CG2-CE2 3.45Å; I73-F79 VanDerWaalsContact CG2-CE2 3.45Å; I73-F79 HydrophobicContact CG2-CZ 3.56Å; S74-F79 WeakPolarHBondContact O-CD2 3.36Å; S74-F79 WeakPolarHBondContact O-CE2 3.44Å; F79-E83 HydrophobicContact CB-CB 4.2Å; F79-E83 HydrophobicContact CD1-CB 3.38Å; F79-E83 HydrophobicContact CD1-CG 4.07Å; F79-E83 HydrophobicContact CE1-CB 4.02Å; F79-E83 HydrophobicContact CG-CB 4.06Å; F79-R84 HydrophobicContact CB-CG 3.85Å; F79-L87 HydrophobicContact CE2-CD2 4.45Å
80	S	74.1	Confident	78.9	Confident	55 Å²	55	60.9 Å²	60.9	39%	0.385	33%	0.325	S	S	.	.			trans	-54.9	160.3	159.3	69.7	0	0	0	0	111.5	S82 E83 R84	S80-S82 PolarHBondContact O-N 3.02Å; S80-S82 PolarHBondContact OG-N 2.97Å; S80-E83 WeakPolarHBondContact CB-OE2 3.35Å; S80-E83 PolarHBondContact N-OE2 2.95Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 WeakPolarHBondContact OG-CG 3.48Å; S80-E83 PolarHBondContact OG-N 2.73Å; S80-E83 PolarHBondContact OG-OE2 3.35Å; S80-R84 PolarHBondContact O-N 3.34Å
81	A	77.6	Confident	78.6	Confident	70 Å²	70	61.5 Å²	61.5	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-58.6	-31.7	172.8	0	0	0	0	0	112.2	A85	A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.24Å
82	S	76.7	Confident	78.5	Confident	63 Å²	63	62.8 Å²	62.8	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-47.5	176.4	-174.3	0	0	0	0	112	S80 A85 R86	S80-S82 PolarHBondContact O-N 3.02Å; S80-S82 PolarHBondContact OG-N 2.97Å; S82-A85 PolarHBondContact O-N 3.4Å; S82-R86 WeakPolarHBondContact O-CG 3.5Å; S82-R86 PolarHBondContact O-N 3.49Å
83	E	76.2	Confident	78.5	Confident	46 Å²	46	59.5 Å²	59.5	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-69.1	-37.1	-178.8	-67.8	155.2	120.3	0	0	112.6	F53 F79 S80 R86 L87	F53-E83 HydrophobicContact CE1-CB 4.26Å; F53-E83 HydrophobicContact CE1-CG 4.35Å; F79-E83 HydrophobicContact CB-CB 4.2Å; F79-E83 HydrophobicContact CD1-CB 3.38Å; F79-E83 HydrophobicContact CD1-CG 4.07Å; F79-E83 HydrophobicContact CE1-CB 4.02Å; F79-E83 HydrophobicContact CG-CB 4.06Å; S80-E83 WeakPolarHBondContact CB-OE2 3.35Å; S80-E83 PolarHBondContact N-OE2 2.95Å; S80-E83 PolarHBondContact O-N 2.94Å; S80-E83 WeakPolarHBondContact OG-CG 3.48Å; S80-E83 PolarHBondContact OG-N 2.73Å; S80-E83 PolarHBondContact OG-OE2 3.35Å; E83-R86 PolarHBondContact O-N 3.45Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 3.4Å
84	R	80.2	Confident	78.7	Confident	129 Å²	129	59.9 Å²	59.9	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-47.2	170	-73.4	-173.3	-76.7	139.8	-6.2	111.3	F79 S80 R86 L87 D88	F79-R84 HydrophobicContact CB-CG 3.85Å; S80-R84 PolarHBondContact O-N 3.34Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.02Å; R84-L87 PolarHBondContact O-N 2.96Å; R84-D88 WeakPolarHBondContact O-CB 3.46Å; R84-D88 PolarHBondContact O-N 3.08Å
85	A	81.5	Confident	79.1	Confident	45 Å²	45	61.3 Å²	61.3	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-33.8	177.4	0	0	0	0	0	113.3	A81 S82 R89	A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.24Å; S82-A85 PolarHBondContact O-N 3.4Å; A85-R89 WeakPolarHBondContact O-CB 3.49Å; A85-R89 PolarHBondContact O-N 3.4Å
86	R	80.4	Confident	79.8	Confident	70 Å²	70	63.7 Å²	63.7	26%	0.264	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-47.1	172	-70.8	175.4	177.2	165	-3	111.2	F53 S82 E83 R84 R89 E90 G324	F53-R86 HydrophobicContact CZ-CB 4.4Å; S82-R86 WeakPolarHBondContact O-CG 3.5Å; S82-R86 PolarHBondContact O-N 3.49Å; E83-R86 PolarHBondContact O-N 3.45Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.02Å; R86-R89 PolarHBondContact O-N 3.3Å; R86-E90 WeakPolarHBondContact O-CB 3.18Å; R86-E90 PolarHBondContact O-N 3.12Å; R86-G324 WeakPolarHBondContact CB-O 3.49Å; R86-G324 WeakPolarHBondContact CG-O 3.29Å
87	L	83	Confident	81.1	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-46.9	-179.1	179.7	56	0	0	0	113	I73 F79 E83 R84 R89 E90 I91 I115 L117	I73-L87 HydrophobicContact CD1-CD1 3.54Å; I73-L87 HydrophobicContact CD1-CD2 4.28Å; I73-L87 HydrophobicContact CG2-CD2 3.7Å; F79-L87 HydrophobicContact CE2-CD2 4.45Å; E83-L87 WeakPolarHBondContact O-CB 3.37Å; E83-L87 PolarHBondContact O-N 3.4Å; R84-L87 PolarHBondContact O-N 2.96Å; L87-R89 PolarHBondContact O-N 3.45Å; L87-E90 PolarHBondContact O-N 3.37Å; L87-I91 HydrophobicContact CD1-CD1 4.11Å; L87-I91 HydrophobicContact CD1-CG1 4.4Å; L87-I91 HydrophobicContact CG-CD1 4.18Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 3.09Å; L87-I115 HydrophobicContact CD2-CD1 3.67Å; L87-I115 HydrophobicContact CG-CD1 4.3Å; L87-L117 HydrophobicContact CD1-CD1 4.02Å
88	D	84.2	Confident	82.9	Confident	87 Å²	87	60.4 Å²	60.4	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-33.5	177	-68.8	-31.6	0	0	0	111	R84 S92	R84-D88 WeakPolarHBondContact O-CB 3.46Å; R84-D88 PolarHBondContact O-N 3.08Å; D88-S92 VanDerWaalsContact O-CB 3.25Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 3.47Å
89	R	85	Confident	84.7	Confident	78 Å²	78	57.8 Å²	57.8	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-73.4	-43	174.4	-166.4	-174.1	-63	121.9	-1.5	113.1	A85 R86 L87 I91 S92 I93 A326	A85-R89 WeakPolarHBondContact O-CB 3.49Å; A85-R89 PolarHBondContact O-N 3.4Å; R86-R89 PolarHBondContact O-N 3.3Å; L87-R89 PolarHBondContact O-N 3.45Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 PolarHBondContact O-N 2.91Å; R89-S92 PolarHBondContact O-N 3.02Å; R89-I93 HydrophobicContact CG-CD1 3.84Å; R89-I93 HydrophobicContact CG-CG1 4.37Å; R89-I93 WeakPolarHBondContact O-CG1 3.25Å; R89-I93 PolarHBondContact O-N 3.48Å; R89-A326 WeakPolarHBondContact CD-O 3.48Å; R89-A326 PolarHBondContact NE-O 3.06Å
90	E	86.8	Confident	86.1	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.051	31%	0.31	C	S	.	.	H	α-helix	trans	-53.1	-50.9	173	-174.6	-175.7	-173.3	0	0	109.6	K71 R86 L87 L94	K71-E90 IonicContact NZ-OE1 3.75Å; K71-E90 PolarHBondContact NZ-OE1 3.11Å; K71-E90 IonicContact NZ-OE2 2.64Å; K71-E90 PolarHBondContact NZ-OE2 3.4Å; R86-E90 WeakPolarHBondContact O-CB 3.18Å; R86-E90 PolarHBondContact O-N 3.12Å; L87-E90 PolarHBondContact O-N 3.37Å; E90-L94 HydrophobicContact CG-CD1 3.89Å; E90-L94 VanDerWaalsContact O-CB 3.27Å; E90-L94 WeakPolarHBondContact O-CB 3.49Å; E90-L94 VanDerWaalsContact O-CG 3.26Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.01Å
91	I	88.1	Confident	87.2	Confident	15 Å²	15	57 Å²	57	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-47	176.1	-64.3	166	0	0	0	111.5	L87 R89 I93 R95 V108 I115 L117	L87-I91 HydrophobicContact CD1-CD1 4.11Å; L87-I91 HydrophobicContact CD1-CG1 4.4Å; L87-I91 HydrophobicContact CG-CD1 4.18Å; L87-I91 WeakPolarHBondContact O-CG1 3.3Å; L87-I91 PolarHBondContact O-N 3.09Å; R89-I91 VanDerWaalsContact C-N 3.31Å; R89-I91 PolarHBondContact O-N 2.91Å; I91-I93 PolarHBondContact O-N 3.27Å; I91-R95 HydrophobicContact CG2-CG 4.38Å; I91-R95 WeakPolarHBondContact O-CB 3.47Å; I91-R95 WeakPolarHBondContact O-CD 3.26Å; I91-R95 WeakPolarHBondContact O-CG 3.44Å; I91-R95 PolarHBondContact O-N 2.74Å; I91-R95 VanDerWaalsContact O-N 3.11Å; I91-V108 HydrophobicContact CG2-CG2 4.45Å; I91-I115 HydrophobicContact CD1-CD1 4.45Å; I91-L117 HydrophobicContact CD1-CD2 3.81Å; I91-L117 HydrophobicContact CG1-CD1 4.44Å; I91-L117 HydrophobicContact CG1-CD2 3.66Å
92	S	89.9	Confident	88.1	Confident	65 Å²	65	53.9 Å²	53.9	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-43.7	-177.5	-172.4	0	0	0	0	112.3	D88 R89 H96	D88-S92 VanDerWaalsContact O-CB 3.25Å; D88-S92 WeakPolarHBondContact O-CB 3.3Å; D88-S92 PolarHBondContact O-N 3.47Å; R89-S92 PolarHBondContact O-N 3.02Å; S92-H96 PolarHBondContact O-ND1 3.14Å
93	I	91.2	Very high	89.1	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.062	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-52.9	178.6	-71	171.5	0	0	0	110.3	R89 I91 R95 H96 V97 I164 F323 A326	R89-I93 HydrophobicContact CG-CD1 3.84Å; R89-I93 HydrophobicContact CG-CG1 4.37Å; R89-I93 WeakPolarHBondContact O-CG1 3.25Å; R89-I93 PolarHBondContact O-N 3.48Å; I91-I93 PolarHBondContact O-N 3.27Å; I93-R95 PolarHBondContact O-N 3.49Å; I93-R95 VanDerWaalsContact O-N 3.12Å; I93-H96 PolarHBondContact O-N 2.98Å; I93-V97 HydrophobicContact CG2-CG1 3.92Å; I93-V97 HydrophobicContact CG2-CG2 4.39Å; I93-V97 WeakPolarHBondContact O-CG2 3.33Å; I93-V97 PolarHBondContact O-N 3.34Å; I93-V97 VanDerWaalsContact O-N 3.07Å; I93-I164 HydrophobicContact CD1-CG2 4.12Å; I93-I164 HydrophobicContact CG2-CD1 4.27Å; I93-I164 HydrophobicContact CG2-CG2 4.43Å; I93-F323 HydrophobicContact CB-CB 4.41Å; I93-F323 HydrophobicContact CD1-CB 4.46Å; I93-F323 HydrophobicContact CG2-CB 4.16Å; I93-F323 HydrophobicContact CG2-CD1 3.69Å; I93-F323 HydrophobicContact CG2-CE1 4.3Å; I93-F323 HydrophobicContact CG2-CG 3.95Å; I93-A326 HydrophobicContact CD1-CB 3.53Å
94	L	92.4	Very high	90	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-23.5	-176.3	-72.5	179.8	0	0	0	114	E90 H96 V97 I102 I103 L105 F323	E90-L94 HydrophobicContact CG-CD1 3.89Å; E90-L94 VanDerWaalsContact O-CB 3.27Å; E90-L94 WeakPolarHBondContact O-CB 3.49Å; E90-L94 VanDerWaalsContact O-CG 3.26Å; E90-L94 WeakPolarHBondContact O-CG 3.46Å; E90-L94 PolarHBondContact O-N 3.01Å; L94-H96 VanDerWaalsContact C-N 3.34Å; L94-V97 HydrophobicContact CD2-CG2 4.28Å; L94-I102 HydrophobicContact CD2-CG2 4.46Å; L94-I103 HydrophobicContact CD1-CG2 4.45Å; L94-I103 HydrophobicContact CD2-CG2 3.72Å; L94-L105 HydrophobicContact CB-CB 3.81Å; L94-L105 HydrophobicContact CB-CD2 3.85Å; L94-L105 HydrophobicContact CB-CG 4.43Å; L94-L105 HydrophobicContact CD1-CB 4.45Å; L94-F323 HydrophobicContact CD2-CD2 3.51Å; L94-F323 HydrophobicContact CD2-CE2 3.74Å; L94-F323 HydrophobicContact CD2-CG 4.38Å; L94-F323 HydrophobicContact CG-CD2 4.1Å
95	R	90.8	Very high	90.6	Very high	84 Å²	84	49.1 Å²	49.1	32%	0.317	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.9	173.3	-77.8	173.9	69.1	154	7.2	114.6	F27 I91 I93 L105	F27-R95 HydrophobicContact CD1-CG 3.96Å; F27-R95 HydrophobicContact CD2-CG 3.92Å; F27-R95 HydrophobicContact CE1-CG 3.76Å; F27-R95 HydrophobicContact CE2-CG 3.72Å; F27-R95 HydrophobicContact CG-CG 4.02Å; F27-R95 HydrophobicContact CZ-CG 3.63Å; I91-R95 HydrophobicContact CG2-CG 4.38Å; I91-R95 WeakPolarHBondContact O-CB 3.47Å; I91-R95 WeakPolarHBondContact O-CD 3.26Å; I91-R95 WeakPolarHBondContact O-CG 3.44Å; I91-R95 PolarHBondContact O-N 2.74Å; I91-R95 VanDerWaalsContact O-N 3.11Å; I93-R95 PolarHBondContact O-N 3.49Å; I93-R95 VanDerWaalsContact O-N 3.12Å; R95-L105 HydrophobicContact CG-CD2 4.12Å
96	H	89.5	Confident	91.2	Very high	132 Å²	132	48 Å²	48	61%	0.611	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-23.2	-171.9	-62.5	101.3	0	0	0	113.7	S92 I93 L94	S92-H96 PolarHBondContact O-ND1 3.14Å; I93-H96 PolarHBondContact O-N 2.98Å; L94-H96 VanDerWaalsContact C-N 3.34Å
97	V	93	Very high	91.8	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	22%	0.22	C	C	.	.			trans	-79.9	136.8	174.4	-59	0	0	0	0	111.2	I93 L94 I102 Y158 L159 I164	I93-V97 HydrophobicContact CG2-CG1 3.92Å; I93-V97 HydrophobicContact CG2-CG2 4.39Å; I93-V97 WeakPolarHBondContact O-CG2 3.33Å; I93-V97 PolarHBondContact O-N 3.34Å; I93-V97 VanDerWaalsContact O-N 3.07Å; L94-V97 HydrophobicContact CD2-CG2 4.28Å; V97-I102 HydrophobicContact CB-CD1 4.38Å; V97-I102 HydrophobicContact CG2-CG2 3.8Å; V97-Y158 HydrophobicContact CB-CE1 3.91Å; V97-Y158 HydrophobicContact CG1-CE1 4.11Å; V97-L159 HydrophobicContact CG1-CD2 3.84Å; V97-I164 HydrophobicContact CG1-CD1 3.76Å
98	K	94.4	Very high	92.2	Very high	160 Å²	160	45 Å²	45	70%	0.696	22%	0.219	S	C	*	.			trans	-143.2	102.2	176.5	-65.2	-173.4	-179.1	-175.2	0	108.4	Y158	K98-Y158 PolarHBondContact N-OH 3.43Å; K98-Y158 WeakPolarHBondContact O-CE2 3.35Å; K98-Y158 VanDerWaalsContact O-CZ 3.24Å; K98-Y158 PolarHBondContact O-OH 2.73Å
99	H	96.5	Very high	92.6	Very high	35 Å²	35	41 Å²	41	16%	0.162	20%	0.199	C	C	.	.			trans	-152.9	139.9	-177.1	-171.4	-99.6	0	0	0	109.5	G101 I102 S154 A155 Y158	H99-G101 PolarHBondContact ND1-N 3.14Å; H99-G101 VanDerWaalsContact ND1-N 3.17Å; H99-G101 PolarHBondContact O-N 3.37Å; H99-I102 HydrophobicContact CB-CB 4.16Å; H99-I102 HydrophobicContact CB-CD1 3.73Å; H99-I102 HydrophobicContact CB-CG1 3.89Å; H99-I102 PolarHBondContact O-N 3.33Å; H99-I102 VanDerWaalsContact O-N 3.07Å; H99-S154 PolarHBondContact CE1-OG 2.9Å; H99-S154 PolarHBondContact NE2-OG 3.33Å; H99-A155 VanDerWaalsContact CE1-CA 3.48Å; H99-A155 WeakPolarHBondContact CE1-CA 3.47Å; H99-A155 PolarHBondContact CE1-N 3.05Å; H99-A155 VanDerWaalsContact CE1-N 3.34Å; H99-Y158 HydrophobicContact CB-CD1 4.04Å; H99-Y158 HydrophobicContact CB-CD2 4.11Å; H99-Y158 HydrophobicContact CB-CE1 4.29Å; H99-Y158 HydrophobicContact CB-CE2 4.31Å; H99-Y158 HydrophobicContact CB-CG 3.98Å; H99-Y158 AromaticContact CD2-CD2 3.62Å; H99-Y158 AromaticContact CD2-CG 3.73Å; H99-Y158 AromaticContact CG-CG 3.96Å
100	P	96.4	Very high	92.8	Very high	70 Å²	70	39.1 Å²	39.1	46%	0.455	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	-178.5	21.8	-34.1	0	0	0	113.6	Q317 K319	P100-Q317 PolarHBondContact O-NE2 2.89Å; P100-K319 WeakPolarHBondContact O-CD 3.26Å; P100-K319 VanDerWaalsContact O-CE 3.23Å; P100-K319 WeakPolarHBondContact O-CE 3.33Å; P100-K319 PolarHBondContact O-NZ 2.93Å
101	G	97.1	Very high	92.7	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	13.2	176.7	0	0	0	0	0	116	H99 T318 L320	H99-G101 PolarHBondContact ND1-N 3.14Å; H99-G101 VanDerWaalsContact ND1-N 3.17Å; H99-G101 PolarHBondContact O-N 3.37Å; G101-T318 WeakPolarHBondContact CA-O 3.46Å; G101-L320 PolarHBondContact O-N 2.66Å
102	I	97.4	Very high	92.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-124.7	142.3	176	-61.3	175.4	0	0	0	108.4	L94 V97 H99 K104 A155 Y158 L159 F323	L94-I102 HydrophobicContact CD2-CG2 4.46Å; V97-I102 HydrophobicContact CB-CD1 4.38Å; V97-I102 HydrophobicContact CG2-CG2 3.8Å; H99-I102 HydrophobicContact CB-CB 4.16Å; H99-I102 HydrophobicContact CB-CD1 3.73Å; H99-I102 HydrophobicContact CB-CG1 3.89Å; H99-I102 PolarHBondContact O-N 3.33Å; H99-I102 VanDerWaalsContact O-N 3.07Å; I102-K104 PolarHBondContact O-N 2.97Å; I102-A155 HydrophobicContact CD1-CB 4.45Å; I102-A155 HydrophobicContact CG1-CB 3.9Å; I102-Y158 HydrophobicContact CD1-CD1 3.82Å; I102-Y158 HydrophobicContact CD1-CE1 4.28Å; I102-L159 HydrophobicContact CD1-CD1 3.98Å; I102-L159 HydrophobicContact CD1-CD2 3.86Å; I102-L159 HydrophobicContact CD1-CG 3.74Å; I102-F323 HydrophobicContact CG2-CE2 3.75Å; I102-F323 HydrophobicContact CG2-CZ 3.64Å
103	I	96.4	Very high	92	Very high	12 Å²	12	46 Å²	46	6%	0.062	23%	0.225	C	C	.	.			trans	-62.1	127.6	177.3	-164.1	76.1	0	0	0	112.1	L94 T119 E120 C122 L320 I321 F323	L94-I103 HydrophobicContact CD1-CG2 4.45Å; L94-I103 HydrophobicContact CD2-CG2 3.72Å; I103-T119 HydrophobicContact CG1-CG2 4.2Å; I103-E120 WeakPolarHBondContact CA-OE1 3.47Å; I103-E120 HydrophobicContact CD1-CG 3.51Å; I103-E120 HydrophobicContact CG1-CG 4.25Å; I103-C122 VanDerWaalsContact CD1-SG 3.55Å; I103-L320 WeakPolarHBondContact CG2-O 3.42Å; I103-L320 PolarHBondContact N-O 2.88Å; I103-I321 HydrophobicContact CB-CG2 3.86Å; I103-I321 HydrophobicContact CD1-CG2 4.21Å; I103-I321 HydrophobicContact CG1-CG2 4.17Å; I103-I321 HydrophobicContact CG2-CB 4.47Å; I103-I321 HydrophobicContact CG2-CG2 4.08Å; I103-F323 HydrophobicContact CG2-CE2 4.48Å
104	K	95.2	Very high	91.8	Very high	115 Å²	115	46.1 Å²	46.1	50%	0.5	23%	0.226	S	C	.	.			trans	-83.5	115.3	177.9	-173.6	-175.8	176.6	-171.5	0	109.9	I102 L106 T119 E120	I102-K104 PolarHBondContact O-N 2.97Å; K104-L106 HydrophobicContact CD-CD2 3.68Å; K104-L106 HydrophobicContact CG-CD2 3.94Å; K104-L106 PolarHBondContact O-N 3.07Å; K104-T119 CarbonylContact O-C 3.54Å; K104-T119 VanDerWaalsContact O-CA 3.25Å; K104-T119 WeakPolarHBondContact O-CA 3.35Å; K104-T119 WeakPolarHBondContact O-CB 3.25Å; K104-E120 HydrophobicContact CB-CB 4.49Å; K104-E120 HydrophobicContact CB-CG 4.21Å; K104-E120 VanDerWaalsContact CB-OE1 3.31Å; K104-E120 WeakPolarHBondContact CB-OE1 3.38Å; K104-E120 PolarHBondContact N-OE1 2.94Å; K104-E120 PolarHBondContact O-N 3.22Å
105	L	94.5	Very high	91.7	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.8	165.3	-173.9	73	0	0	0	108.8	F27 L94 R95 V108 L117 T119	F27-L105 HydrophobicContact CE2-CB 4.32Å; F27-L105 HydrophobicContact CE2-CD2 3.59Å; F27-L105 HydrophobicContact CE2-CG 3.72Å; F27-L105 HydrophobicContact CZ-CD2 3.66Å; F27-L105 HydrophobicContact CZ-CG 4.08Å; L94-L105 HydrophobicContact CB-CB 3.81Å; L94-L105 HydrophobicContact CB-CD2 3.85Å; L94-L105 HydrophobicContact CB-CG 4.43Å; L94-L105 HydrophobicContact CD1-CB 4.45Å; R95-L105 HydrophobicContact CG-CD2 4.12Å; L105-V108 HydrophobicContact CD1-CG2 4.2Å; L105-V108 HydrophobicContact CD2-CG2 3.95Å; L105-V108 HydrophobicContact CG-CG2 4.38Å; L105-L117 HydrophobicContact CD1-CB 3.97Å; L105-T119 HydrophobicContact CD1-CG2 3.92Å
106	L	93.4	Very high	91.8	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.12	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-45.8	-176.2	-58.7	175.8	0	0	0	111.1	M66 C68 K104 I118	M66-L106 HydrophobicContact SD-CD1 3.89Å; M66-L106 HydrophobicContact SD-CD2 4.36Å; C68-L106 HydrophobicContact CB-CD1 4.41Å; C68-L106 VanDerWaalsContact SG-CD1 3.57Å; K104-L106 HydrophobicContact CD-CD2 3.68Å; K104-L106 HydrophobicContact CG-CD2 3.94Å; K104-L106 PolarHBondContact O-N 3.07Å; L106-I118 HydrophobicContact CB-CG2 4.35Å; L106-I118 WeakPolarHBondContact CB-O 3.31Å; L106-I118 HydrophobicContact CD1-CG2 4.39Å; L106-I118 PolarHBondContact N-O 2.86Å
107	S	92.4	Very high	91.9	Very high	8 Å²	8	36 Å²	36	6%	0.056	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.2	177.8	62.2	0	0	0	0	111.5	V28 Y42 I118	V28-S107 VanDerWaalsContact O-CA 3.23Å; V28-S107 WeakPolarHBondContact O-CA 3.43Å; V28-S107 VanDerWaalsContact O-CB 3.26Å; V28-S107 WeakPolarHBondContact O-CB 3.33Å; Y42-S107 PolarHBondContact OH-OG 3.32Å; S107-I118 PolarHBondContact N-O 3.43Å; S107-I118 PolarHBondContact O-N 3.15Å; S107-I118 WeakPolarHBondContact OG-CB 3.47Å
108	V	92.5	Very high	92	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.3	166.1	166.2	0	0	0	0	108.4	F27 V28 Y29 V30 I91 L105 I115 F116 L117	F27-V108 HydrophobicContact CE1-CB 4.39Å; F27-V108 HydrophobicContact CZ-CB 4.13Å; F27-V108 HydrophobicContact CZ-CG2 3.86Å; V28-V108 PolarHBondContact O-N 2.86Å; Y29-V108 WeakPolarHBondContact CA-O 3.49Å; Y29-V108 HydrophobicContact CD2-CB 3.88Å; Y29-V108 HydrophobicContact CD2-CG1 3.85Å; Y29-V108 HydrophobicContact CE2-CB 4.06Å; Y29-V108 HydrophobicContact CE2-CG1 3.5Å; V30-V108 PolarHBondContact N-O 2.91Å; I91-V108 HydrophobicContact CG2-CG2 4.45Å; L105-V108 HydrophobicContact CD1-CG2 4.2Å; L105-V108 HydrophobicContact CD2-CG2 3.95Å; L105-V108 HydrophobicContact CG-CG2 4.38Å; V108-I115 HydrophobicContact CG1-CG2 3.84Å; V108-F116 WeakPolarHBondContact CA-O 3.48Å; V108-L117 HydrophobicContact CG1-CD2 4.41Å; V108-L117 HydrophobicContact CG2-CD2 3.67Å
109	A	91.7	Very high	92	Very high	5 Å²	5	29.1 Å²	29.1	4%	0.041	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.3	170.7	0	0	0	0	0	109.7	V30 I32 L38 F116 I118	V30-A109 CarbonylContact O-C 3.6Å; V30-A109 VanDerWaalsContact O-CA 3.28Å; V30-A109 WeakPolarHBondContact O-CA 2.98Å; I32-A109 HydrophobicContact CD1-CB 4.06Å; I32-A109 HydrophobicContact CG1-CB 4.41Å; L38-A109 HydrophobicContact CD1-CB 4.06Å; A109-F116 HydrophobicContact CB-CB 4.26Å; A109-F116 HydrophobicContact CB-CD2 4.44Å; A109-F116 PolarHBondContact N-O 3.35Å; A109-F116 PolarHBondContact O-N 2.96Å; A109-I118 HydrophobicContact CB-CD1 4.29Å
110	E	89.6	Confident	92	Very high	37 Å²	37	29 Å²	29	17%	0.173	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129	-178.2	179.1	-177.5	-135.3	0	0	111.6	Y29 V30 R31 I32 R75	Y29-E110 HydrophobicContact CE1-CB 4.4Å; Y29-E110 PolarHBondContact OH-OE2 3.42Å; V30-E110 PolarHBondContact O-N 3.48Å; R31-E110 CarbonylContact C-O 3.57Å; R31-E110 WeakPolarHBondContact CA-O 3.33Å; I32-E110 WeakPolarHBondContact CG1-O 3.24Å; I32-E110 PolarHBondContact N-O 2.96Å; R75-E110 IonicContact CZ-OE1 2.8Å; R75-E110 IonicContact NE-OE1 2.71Å; R75-E110 PolarHBondContact NE-OE1 3.37Å; R75-E110 IonicContact NH2-OE1 2.69Å; R75-E110 PolarHBondContact NH2-OE1 3.22Å
111	S	84	Confident	92	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	162.5	161.4	67	0	0	0	0	110.4	I32 K113 T114	I32-S111 VanDerWaalsContact O-CA 3.22Å; I32-S111 WeakPolarHBondContact O-CA 3.37Å; I32-S111 WeakPolarHBondContact O-CB 3.25Å; S111-K113 PolarHBondContact O-N 3.21Å; S111-T114 PolarHBondContact N-O 3.37Å; S111-T114 PolarHBondContact O-N 3.16Å; S111-T114 WeakPolarHBondContact OG-CB 3.41Å; S111-T114 PolarHBondContact OG-N 3.36Å; S111-T114 PolarHBondContact OG-O 3.18Å
112	P	81.7	Confident	92	Very high	97 Å²	97	27 Å²	27	63%	0.63	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.7	178.7	-27.1	35.3	0	0	0	114.7
113	K	82.9	Confident	91.9	Very high	137 Å²	137	30 Å²	30	60%	0.596	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-8.8	-175	-72.1	178	167.7	-177.5	0	114.3	R75 I76 S111	R75-K113 PolarHBondContact N-O 3.48Å; I76-K113 HydrophobicContact CD1-CB 3.91Å; I76-K113 HydrophobicContact CD1-CD 3.75Å; I76-K113 HydrophobicContact CD1-CG 3.79Å; I76-K113 HydrophobicContact CG1-CB 3.87Å; I76-K113 HydrophobicContact CG1-CD 4.37Å; I76-K113 HydrophobicContact CG1-CG 3.85Å; S111-K113 PolarHBondContact O-N 3.21Å
114	T	87	Confident	91.7	Very high	14 Å²	14	29.7 Å²	29.7	9%	0.086	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	132.3	-170.9	-53.2	0	0	0	0	111.4	K72 I73 S111 F116	K72-T114 HydrophobicContact CG-CG2 3.71Å; I73-T114 CarbonylContact O-C 3.54Å; I73-T114 VanDerWaalsContact O-CA 3.24Å; I73-T114 WeakPolarHBondContact O-CA 3.39Å; I73-T114 VanDerWaalsContact O-CG2 3.32Å; I73-T114 WeakPolarHBondContact O-CG2 3.28Å; S111-T114 PolarHBondContact N-O 3.37Å; S111-T114 PolarHBondContact O-N 3.16Å; S111-T114 WeakPolarHBondContact OG-CB 3.41Å; S111-T114 PolarHBondContact OG-N 3.36Å; S111-T114 PolarHBondContact OG-O 3.18Å; T114-F116 HydrophobicContact CG2-CD2 4.23Å; T114-F116 HydrophobicContact CG2-CE1 4.08Å; T114-F116 HydrophobicContact CG2-CE2 3.59Å; T114-F116 HydrophobicContact CG2-CZ 3.5Å; T114-F116 VanDerWaalsContact CG2-CZ 3.5Å
115	I	89.2	Confident	91.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.1	165.6	-45.4	-177	0	0	0	108.9	I73 R75 L87 I91 V108 L117	I73-I115 HydrophobicContact CB-CB 4.43Å; I73-I115 PolarHBondContact N-O 3.33Å; I73-I115 PolarHBondContact O-N 2.79Å; R75-I115 HydrophobicContact CG-CG1 3.97Å; R75-I115 VanDerWaalsContact NH2-CD1 3.29Å; L87-I115 HydrophobicContact CD2-CD1 3.67Å; L87-I115 HydrophobicContact CG-CD1 4.3Å; I91-I115 HydrophobicContact CD1-CD1 4.45Å; V108-I115 HydrophobicContact CG1-CG2 3.84Å; I115-L117 HydrophobicContact CG2-CD2 3.83Å
116	F	92.1	Very high	91.6	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.039	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.4	167.5	-57.1	-93.7	0	0	0	108.2	I32 P35 L38 I70 K71 K72 V108 A109 T114 I118	I32-F116 HydrophobicContact CD1-CD2 4.03Å; I32-F116 HydrophobicContact CD1-CE2 3.93Å; P35-F116 HydrophobicContact CB-CE2 4.41Å; P35-F116 HydrophobicContact CB-CZ 3.9Å; P35-F116 HydrophobicContact CG-CZ 4.29Å; L38-F116 HydrophobicContact CD2-CB 4.17Å; L38-F116 HydrophobicContact CD2-CD1 3.48Å; L38-F116 VanDerWaalsContact CD2-CD1 3.48Å; L38-F116 HydrophobicContact CD2-CD2 4.3Å; L38-F116 HydrophobicContact CD2-CE1 3.86Å; L38-F116 HydrophobicContact CD2-CG 3.73Å; L38-F116 HydrophobicContact CD2-CZ 4.45Å; I70-F116 HydrophobicContact CG2-CB 4.14Å; I70-F116 HydrophobicContact CG2-CD1 3.87Å; I70-F116 HydrophobicContact CG2-CG 4.47Å; K71-F116 WeakPolarHBondContact O-CA 3.29Å; K72-F116 HydrophobicContact CB-CD1 3.93Å; K72-F116 HydrophobicContact CB-CE1 3.86Å; K72-F116 HydrophobicContact CD-CE1 3.92Å; K72-F116 HydrophobicContact CD-CZ 4.49Å; K72-F116 HydrophobicContact CG-CD1 4.06Å; K72-F116 HydrophobicContact CG-CE1 3.53Å; K72-F116 HydrophobicContact CG-CZ 4.16Å; V108-F116 WeakPolarHBondContact CA-O 3.48Å; A109-F116 HydrophobicContact CB-CB 4.26Å; A109-F116 HydrophobicContact CB-CD2 4.44Å; A109-F116 PolarHBondContact N-O 3.35Å; A109-F116 PolarHBondContact O-N 2.96Å; T114-F116 HydrophobicContact CG2-CD2 4.23Å; T114-F116 HydrophobicContact CG2-CE1 4.08Å; T114-F116 HydrophobicContact CG2-CE2 3.59Å; T114-F116 HydrophobicContact CG2-CZ 3.5Å; T114-F116 VanDerWaalsContact CG2-CZ 3.5Å; F116-I118 HydrophobicContact CB-CD1 4Å; F116-I118 WeakPolarHBondContact O-CD1 3.37Å
117	L	92.4	Very high	91.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.7	167.6	-46.9	-172	0	0	0	107.6	I70 K71 I73 L87 I91 L105 V108 I115	I70-L117 WeakPolarHBondContact CA-O 3.44Å; K71-L117 HydrophobicContact CB-CB 4.26Å; K71-L117 HydrophobicContact CD-CD1 4.2Å; K71-L117 PolarHBondContact N-O 3.35Å; K71-L117 PolarHBondContact O-N 2.8Å; I73-L117 HydrophobicContact CD1-CD1 4.02Å; I73-L117 HydrophobicContact CD1-CG 3.97Å; L87-L117 HydrophobicContact CD1-CD1 4.02Å; I91-L117 HydrophobicContact CD1-CD2 3.81Å; I91-L117 HydrophobicContact CG1-CD1 4.44Å; I91-L117 HydrophobicContact CG1-CD2 3.66Å; L105-L117 HydrophobicContact CD1-CB 3.97Å; V108-L117 HydrophobicContact CG1-CD2 4.41Å; V108-L117 HydrophobicContact CG2-CD2 3.67Å; I115-L117 HydrophobicContact CG2-CD2 3.83Å
118	I	95.1	Very high	91.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.8	178.3	-57.2	75.3	0	0	0	107.6	Y42 C68 A69 I70 L106 S107 A109 F116	Y42-I118 HydrophobicContact CE1-CG2 3.96Å; Y42-I118 HydrophobicContact CE2-CG1 4.35Å; C68-I118 HydrophobicContact CB-CG2 3.84Å; A69-I118 WeakPolarHBondContact O-CA 3.22Å; I70-I118 HydrophobicContact CD1-CG1 4.34Å; I70-I118 HydrophobicContact CG1-CG1 4.12Å; I70-I118 HydrophobicContact CG1-CG2 4.37Å; L106-I118 HydrophobicContact CB-CG2 4.35Å; L106-I118 WeakPolarHBondContact CB-O 3.31Å; L106-I118 HydrophobicContact CD1-CG2 4.39Å; L106-I118 PolarHBondContact N-O 2.86Å; S107-I118 PolarHBondContact N-O 3.43Å; S107-I118 PolarHBondContact O-N 3.15Å; S107-I118 WeakPolarHBondContact OG-CB 3.47Å; A109-I118 HydrophobicContact CB-CD1 4.29Å; F116-I118 HydrophobicContact CB-CD1 4Å; F116-I118 WeakPolarHBondContact O-CD1 3.37Å
119	T	95.4	Very high	91.9	Very high	26 Å²	26	33 Å²	33	16%	0.16	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	168.3	177.9	63.8	0	0	0	0	111.4	C68 A69 I103 K104 L105	C68-T119 VanDerWaalsContact CA-O 3.31Å; C68-T119 WeakPolarHBondContact CA-O 3.41Å; A69-T119 PolarHBondContact N-O 3.33Å; A69-T119 PolarHBondContact O-N 3.48Å; I103-T119 HydrophobicContact CG1-CG2 4.2Å; K104-T119 CarbonylContact O-C 3.54Å; K104-T119 VanDerWaalsContact O-CA 3.25Å; K104-T119 WeakPolarHBondContact O-CA 3.35Å; K104-T119 WeakPolarHBondContact O-CB 3.25Å; L105-T119 HydrophobicContact CD1-CG2 3.92Å
120	E	95.7	Very high	92.1	Very high	32 Å²	32	33.5 Å²	33.5	15%	0.15	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	149.2	159.5	70.7	-171.1	137	0	0	110.2	I103 K104 K319	I103-E120 WeakPolarHBondContact CA-OE1 3.47Å; I103-E120 HydrophobicContact CD1-CG 3.51Å; I103-E120 HydrophobicContact CG1-CG 4.25Å; K104-E120 HydrophobicContact CB-CB 4.49Å; K104-E120 HydrophobicContact CB-CG 4.21Å; K104-E120 VanDerWaalsContact CB-OE1 3.31Å; K104-E120 WeakPolarHBondContact CB-OE1 3.38Å; K104-E120 PolarHBondContact N-OE1 2.94Å; K104-E120 PolarHBondContact O-N 3.22Å; E120-K319 WeakPolarHBondContact OE1-CE 3.19Å; E120-K319 IonicContact OE1-NZ 3.1Å; E120-K319 PolarHBondContact OE1-NZ 3.39Å; E120-K319 WeakPolarHBondContact OE2-CE 3.26Å; E120-K319 IonicContact OE2-NZ 2.66Å; E120-K319 PolarHBondContact OE2-NZ 2.86Å
121	L	96.6	Very high	92.3	Very high	18 Å²	18	32 Å²	32	9%	0.094	17%	0.171	C	C	.	.			trans	-85.8	131.6	176.2	-179.7	68.9	0	0	0	110.1	L48 H58 K67 A69 E123 L177	L48-L121 HydrophobicContact CD1-CD1 3.47Å; L48-L121 VanDerWaalsContact CD1-CD1 3.47Å; H58-L121 VanDerWaalsContact CD2-CD2 3.47Å; H58-L121 WeakPolarHBondContact CD2-CD2 3.35Å; K67-L121 HydrophobicContact CB-CB 4.09Å; K67-L121 HydrophobicContact CB-CD2 3.83Å; K67-L121 HydrophobicContact CD-CD2 3.89Å; K67-L121 HydrophobicContact CG-CD2 4.36Å; A69-L121 HydrophobicContact CB-CD1 4.14Å; L121-E123 HydrophobicContact CD2-CG 3.72Å; L121-E123 HydrophobicContact CG-CG 4.01Å; L121-L177 WeakPolarHBondContact O-CD1 3.39Å
122	C	96.4	Very high	92.7	Very high	14 Å²	14	39 Å²	39	10%	0.095	20%	0.2	C	C	.	.			trans	-100.2	112.9	166.8	-66.6	0	0	0	0	109.4	I103 M175 L176	I103-C122 VanDerWaalsContact CD1-SG 3.55Å; C122-M175 HydrophobicContact CB-CB 3.83Å; C122-M175 HydrophobicContact CB-CE 3.69Å; C122-M175 HydrophobicContact CB-SD 3.94Å; C122-L176 WeakPolarHBondContact CB-O 3.31Å
123	E	95	Very high	93.3	Very high	67 Å²	67	40.6 Å²	40.6	31%	0.313	20%	0.2	S	C	.	.			trans	-87.8	-14	-173.7	-60.5	-162.7	83.4	0	0	114	K67 L121 L177 K179	K67-E123 IonicContact NZ-OE1 2.84Å; K67-E123 PolarHBondContact NZ-OE1 2.75Å; K67-E123 IonicContact NZ-OE2 3.71Å; K67-E123 PolarHBondContact NZ-OE2 3.27Å; L121-E123 HydrophobicContact CD2-CG 3.72Å; L121-E123 HydrophobicContact CG-CG 4.01Å; E123-L177 PolarHBondContact N-O 2.97Å; E123-K179 HydrophobicContact CB-CG 4.14Å; E123-K179 WeakPolarHBondContact O-CE 3.21Å; E123-K179 WeakPolarHBondContact O-CG 3.28Å
124	G	93.5	Very high	93.8	Very high	6 Å²	6	35.2 Å²	35.2	6%	0.062	18%	0.177	C	C	.	.	S	Bend	trans	-96.5	15.5	-172.6	0	0	0	0	0	116.5	L176 N178	G124-L176 WeakPolarHBondContact CA-O 3.18Å; G124-L176 PolarHBondContact N-O 2.87Å; G124-N178 VanDerWaalsContact CA-O 3.26Å; G124-N178 WeakPolarHBondContact CA-O 3.36Å
125	N	93.2	Very high	94.2	Very high	75 Å²	75	37.6 Å²	37.6	40%	0.401	19%	0.193	S	C	.	.			trans	62.6	-174.4	-175.6	-55.6	-55.3	0	0	0	114.5	H129 M175 L176	N125-H129 HydrophobicContact CB-CB 3.96Å; N125-M175 CarbonylContact O-C 3.51Å; N125-M175 VanDerWaalsContact O-CA 3.3Å; N125-M175 WeakPolarHBondContact O-CA 3.29Å; N125-L176 PolarHBondContact O-N 3.5Å
126	S	95	Very high	94.2	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-87.8	155.9	171.5	62.6	0	0	0	0	111.6	D128 H129 C130 I174	S126-D128 PolarHBondContact O-N 2.72Å; S126-H129 WeakPolarHBondContact O-CB 3.48Å; S126-H129 PolarHBondContact O-N 3.26Å; S126-H129 PolarHBondContact OG-N 3.44Å; S126-C130 PolarHBondContact O-N 3.46Å; S126-C130 PolarHBondContact O-SG 2.9Å; S126-C130 VanDerWaalsContact O-SG 3.35Å; S126-I174 CarbonylContact C-O 3.4Å; S126-I174 VanDerWaalsContact CA-O 3.3Å; S126-I174 WeakPolarHBondContact CA-O 3.47Å
127	L	96.3	Very high	94.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-32.7	174.5	-67	-176.6	0	0	0	112	H129 C130 M131 I148 P171 I174 L176 L372	L127-H129 VanDerWaalsContact C-N 3.3Å; L127-H129 PolarHBondContact O-N 3.42Å; L127-C130 PolarHBondContact O-N 3Å; L127-M131 WeakPolarHBondContact O-CB 3.44Å; L127-M131 VanDerWaalsContact O-CG 3.26Å; L127-M131 WeakPolarHBondContact O-CG 3.28Å; L127-M131 PolarHBondContact O-N 3.11Å; L127-I148 HydrophobicContact CD1-CG2 3.84Å; L127-I148 HydrophobicContact CD2-CD1 4.13Å; L127-P171 HydrophobicContact CB-CB 4.09Å; L127-P171 PolarHBondContact N-O 3.12Å; L127-I174 HydrophobicContact CD1-CB 3.87Å; L127-I174 HydrophobicContact CD1-CD1 4.15Å; L127-I174 HydrophobicContact CD1-CG2 3.51Å; L127-I174 HydrophobicContact CG-CB 4.11Å; L127-I174 HydrophobicContact CG-CG2 3.89Å; L127-I174 PolarHBondContact N-O 3.07Å; L127-L176 HydrophobicContact CD2-CD1 4.3Å; L127-L176 HydrophobicContact CD2-CD2 3.91Å; L127-L176 HydrophobicContact CD2-CG 4.14Å; L127-L372 HydrophobicContact CB-CD2 4.46Å; L127-L372 HydrophobicContact CD1-CD1 4.3Å; L127-L372 HydrophobicContact CD1-CD2 4.25Å
128	D	93.3	Very high	94.2	Very high	53 Å²	53	51 Å²	51	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-56.4	-42.4	171.4	172.6	83	0	0	0	112.2	S126 K132 P171	S126-D128 PolarHBondContact O-N 2.72Å; D128-K132 WeakPolarHBondContact O-CD 3.24Å; D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.5Å; D128-K132 PolarHBondContact O-N 2.64Å; D128-K132 WeakPolarHBondContact OD1-CE 3.42Å; D128-K132 IonicContact OD1-NZ 2.72Å; D128-K132 PolarHBondContact OD1-NZ 3.01Å; D128-K132 WeakPolarHBondContact OD2-CE 3.39Å; D128-K132 IonicContact OD2-NZ 3.5Å; D128-K132 PolarHBondContact OD2-NZ 3.09Å; D128-P171 HydrophobicContact CB-CB 4.01Å; D128-P171 PolarHBondContact N-O 2.96Å; D128-P171 VanDerWaalsContact N-O 3.12Å
129	H	93.6	Very high	94.2	Very high	74 Å²	74	51 Å²	51	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-45.1	175.4	-174.1	-80.6	0	0	0	111.5	N125 S126 L127 M131 K132 Q133	N125-H129 HydrophobicContact CB-CB 3.96Å; S126-H129 WeakPolarHBondContact O-CB 3.48Å; S126-H129 PolarHBondContact O-N 3.26Å; S126-H129 PolarHBondContact OG-N 3.44Å; L127-H129 VanDerWaalsContact C-N 3.3Å; L127-H129 PolarHBondContact O-N 3.42Å; H129-M131 PolarHBondContact O-N 3.33Å; H129-K132 PolarHBondContact O-N 3.43Å; H129-Q133 PolarHBondContact CE1-NE2 3.07Å; H129-Q133 PolarHBondContact CE1-OE1 3.33Å; H129-Q133 PolarHBondContact ND1-OE1 3.37Å; H129-Q133 WeakPolarHBondContact O-CG 3.37Å; H129-Q133 PolarHBondContact O-N 2.92Å
130	C	95.6	Very high	94.3	Very high	16 Å²	16	49.8 Å²	49.8	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-46.2	177.7	-60.7	0	0	0	0	112	S126 L127 K132 Q133 L134 L182	S126-C130 PolarHBondContact O-N 3.46Å; S126-C130 PolarHBondContact O-SG 2.9Å; S126-C130 VanDerWaalsContact O-SG 3.35Å; L127-C130 PolarHBondContact O-N 3Å; C130-K132 VanDerWaalsContact C-N 3.33Å; C130-K132 PolarHBondContact O-N 2.97Å; C130-Q133 PolarHBondContact O-N 2.94Å; C130-Q133 VanDerWaalsContact O-N 3.09Å; C130-L134 PolarHBondContact O-N 3.37Å; C130-L182 HydrophobicContact CB-CD1 4.08Å
131	M	94.7	Very high	94.2	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-35.2	179.6	-67.6	-54.1	-60.8	0	0	112.7	L127 H129 Q133 L134 L140 I371 L372 N375	L127-M131 WeakPolarHBondContact O-CB 3.44Å; L127-M131 VanDerWaalsContact O-CG 3.26Å; L127-M131 WeakPolarHBondContact O-CG 3.28Å; L127-M131 PolarHBondContact O-N 3.11Å; H129-M131 PolarHBondContact O-N 3.33Å; M131-Q133 PolarHBondContact O-N 3.27Å; M131-L134 HydrophobicContact CE-CD1 3.64Å; M131-L134 PolarHBondContact O-N 3.31Å; M131-L134 HydrophobicContact SD-CD1 3.72Å; M131-L140 HydrophobicContact SD-CD1 3.93Å; M131-L140 HydrophobicContact SD-CG 3.87Å; M131-I371 VanDerWaalsContact CE-O 3.29Å; M131-I371 WeakPolarHBondContact CE-O 3.48Å; M131-L372 HydrophobicContact CG-CD2 3.84Å; M131-L372 HydrophobicContact SD-CD2 3.6Å; M131-N375 HydrophobicContact CE-CB 3.72Å; M131-N375 WeakPolarHBondContact CE-OD1 3.43Å; M131-N375 PolarHBondContact O-ND2 2.78Å; M131-N375 PolarHBondContact O-OD1 2.98Å
132	K	92.7	Very high	94.1	Very high	148 Å²	148	50.4 Å²	50.4	64%	0.643	26%	0.255	S	S	*	.	H	α-helix	trans	-69.3	-17.9	174	-73.5	167.9	-176.6	166.6	0	114.1	D128 H129 C130	D128-K132 WeakPolarHBondContact O-CD 3.24Å; D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.5Å; D128-K132 PolarHBondContact O-N 2.64Å; D128-K132 WeakPolarHBondContact OD1-CE 3.42Å; D128-K132 IonicContact OD1-NZ 2.72Å; D128-K132 PolarHBondContact OD1-NZ 3.01Å; D128-K132 WeakPolarHBondContact OD2-CE 3.39Å; D128-K132 IonicContact OD2-NZ 3.5Å; D128-K132 PolarHBondContact OD2-NZ 3.09Å; H129-K132 PolarHBondContact O-N 3.43Å; C130-K132 VanDerWaalsContact C-N 3.33Å; C130-K132 PolarHBondContact O-N 2.97Å
133	Q	93.4	Very high	94	Very high	131 Å²	131	50.6 Å²	50.6	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-92.3	-10.7	176.6	-68.2	-176.4	-67.4	0	0	113.4	H129 C130 M131	H129-Q133 PolarHBondContact CE1-NE2 3.07Å; H129-Q133 PolarHBondContact CE1-OE1 3.33Å; H129-Q133 PolarHBondContact ND1-OE1 3.37Å; H129-Q133 WeakPolarHBondContact O-CG 3.37Å; H129-Q133 PolarHBondContact O-N 2.92Å; C130-Q133 PolarHBondContact O-N 2.94Å; C130-Q133 VanDerWaalsContact O-N 3.09Å; M131-Q133 PolarHBondContact O-N 3.27Å
134	L	94	Very high	94	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.126	24%	0.239	C	C	.	.	S	Bend	trans	-70.1	147.6	175.5	-64.8	-178.5	0	0	0	111.2	C130 M131 L140 F184	C130-L134 PolarHBondContact O-N 3.37Å; M131-L134 HydrophobicContact CE-CD1 3.64Å; M131-L134 PolarHBondContact O-N 3.31Å; M131-L134 HydrophobicContact SD-CD1 3.72Å; L134-L140 HydrophobicContact CD1-CD2 3.75Å; L134-L140 HydrophobicContact CD1-CG 4.17Å; L134-L140 HydrophobicContact CD2-CD2 4.08Å; L134-L140 HydrophobicContact CG-CD2 4.48Å; L134-F184 HydrophobicContact CD2-CB 4.03Å; L134-F184 HydrophobicContact CD2-CD1 3.82Å; L134-F184 HydrophobicContact CD2-CG 4.06Å
135	P	94.4	Very high	94.2	Very high	64 Å²	64	47.1 Å²	47.1	42%	0.416	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-59.7	152.5	173.2	-21.3	32.4	0	0	0	112.6	T138 F184	P135-T138 HydrophobicContact CB-CG2 3.89Å; P135-T138 HydrophobicContact CG-CG2 4.34Å; P135-T138 WeakPolarHBondContact O-CB 3.28Å; P135-T138 PolarHBondContact O-N 2.92Å; P135-T138 PolarHBondContact O-OG1 3Å; P135-F184 HydrophobicContact CG-CE2 3.9Å; P135-F184 HydrophobicContact CG-CZ 3.97Å
136	E	89.7	Confident	94.3	Very high	176 Å²	176	43.5 Å²	43.5	82%	0.822	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	144.9	174.1	-65.4	-174.3	178.9	0	0	111.9	T138	E136-T138 PolarHBondContact O-N 2.77Å
137	N	89.8	Confident	94.4	Very high	106 Å²	106	42.5 Å²	42.5	57%	0.567	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	31.6	-177.4	-50	-71	0	0	0	114	I187	N137-I187 WeakPolarHBondContact O-CB 3.38Å; N137-I187 PolarHBondContact O-N 3.3Å
138	T	95.2	Very high	94.5	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	162	169.6	71.6	0	0	0	0	111.7	P135 E136 F184 R185 I187 N375	P135-T138 HydrophobicContact CB-CG2 3.89Å; P135-T138 HydrophobicContact CG-CG2 4.34Å; P135-T138 WeakPolarHBondContact O-CB 3.28Å; P135-T138 PolarHBondContact O-N 2.92Å; P135-T138 PolarHBondContact O-OG1 3Å; E136-T138 PolarHBondContact O-N 2.77Å; T138-F184 HydrophobicContact CG2-CD2 3.86Å; T138-F184 HydrophobicContact CG2-CE2 4.12Å; T138-R185 CarbonylContact C-O 3.59Å; T138-R185 WeakPolarHBondContact CA-O 3.37Å; T138-R185 VanDerWaalsContact CB-O 3.31Å; T138-R185 WeakPolarHBondContact CB-O 3.34Å; T138-I187 VanDerWaalsContact C-CD1 3.5Å; T138-I187 WeakPolarHBondContact O-CD1 3.24Å; T138-N375 WeakPolarHBondContact O-CB 3.32Å
139	G	94.8	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.3	170.2	0	0	0	0	0	110.6	F184 R185	G139-F184 CarbonylContact O-C 3.31Å; G139-F184 WeakPolarHBondContact O-CA 3.37Å; G139-F184 WeakPolarHBondContact O-CB 3.45Å; G139-R185 PolarHBondContact N-O 3.19Å; G139-R185 PolarHBondContact O-N 3.36Å; G139-R185 PolarHBondContact O-NH1 2.91Å; G139-R185 VanDerWaalsContact O-NH1 3.17Å
140	L	96.8	Very high	94.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	146.5	-174.8	-62.7	-176	0	0	0	112.3	M131 L134 I144 V145 I148 L182 F184 R185 L372	M131-L140 HydrophobicContact SD-CD1 3.93Å; M131-L140 HydrophobicContact SD-CG 3.87Å; L134-L140 HydrophobicContact CD1-CD2 3.75Å; L134-L140 HydrophobicContact CD1-CG 4.17Å; L134-L140 HydrophobicContact CD2-CD2 4.08Å; L134-L140 HydrophobicContact CG-CD2 4.48Å; L140-I144 HydrophobicContact CD1-CG2 4.2Å; L140-V145 HydrophobicContact CB-CG2 3.75Å; L140-I148 HydrophobicContact CD1-CD1 4.17Å; L140-L182 HydrophobicContact CD1-CD1 4.04Å; L140-L182 HydrophobicContact CD2-CB 3.7Å; L140-L182 HydrophobicContact CD2-CD1 4.18Å; L140-F184 HydrophobicContact CD2-CB 4.48Å; L140-R185 PolarHBondContact O-NH1 3.07Å; L140-L372 WeakPolarHBondContact CB-O 3.31Å; L140-L372 HydrophobicContact CD1-CB 4.39Å; L140-L372 HydrophobicContact CD1-CD2 4.08Å; L140-L372 PolarHBondContact N-O 2.8Å
141	Q	95	Very high	94.9	Very high	56 Å²	56	40 Å²	40	26%	0.262	19%	0.194	S	C	.	.			trans	-60.7	144.6	173.7	-74.3	-71.3	9.4	0	0	110.9	Y143 I144 V145 D183 F184	Q141-Y143 VanDerWaalsContact C-N 3.28Å; Q141-Y143 HydrophobicContact CB-CD1 3.65Å; Q141-Y143 HydrophobicContact CB-CE1 3.43Å; Q141-Y143 VanDerWaalsContact CB-CE1 3.43Å; Q141-Y143 HydrophobicContact CG-CD1 4.49Å; Q141-Y143 HydrophobicContact CG-CE1 3.9Å; Q141-Y143 PolarHBondContact O-N 3.25Å; Q141-I144 HydrophobicContact CB-CG1 4.19Å; Q141-I144 WeakPolarHBondContact O-CB 3.2Å; Q141-I144 PolarHBondContact O-N 2.89Å; Q141-V145 PolarHBondContact O-N 3.33Å; Q141-V145 VanDerWaalsContact O-N 3.08Å; Q141-D183 HydrophobicContact CB-CB 4.13Å; Q141-D183 HydrophobicContact CG-CB 3.67Å; Q141-D183 PolarHBondContact N-O 3.32Å; Q141-F184 PolarHBondContact NE2-O 3.49Å
142	E	94.6	Very high	95.1	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-34.2	-170.2	-164.2	176.1	132	0	0	112.8	I144 V145 V146 L373 V407 T408 C411 W437 Y441	E142-I144 PolarHBondContact O-N 3.01Å; E142-V145 PolarHBondContact O-N 3.21Å; E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 3.47Å; E142-L373 HydrophobicContact CB-CD2 4.45Å; E142-L373 HydrophobicContact CG-CD2 4.24Å; E142-V407 WeakPolarHBondContact OE2-CA 3.4Å; E142-T408 WeakPolarHBondContact OE1-CB 3.43Å; E142-T408 WeakPolarHBondContact OE1-CG2 3.41Å; E142-T408 PolarHBondContact OE1-OG1 3.43Å; E142-T408 PolarHBondContact OE2-N 2.83Å; E142-C411 WeakPolarHBondContact OE1-CB 3.41Å; E142-W437 HydrophobicContact CG-CZ2 4.19Å; E142-W437 PolarHBondContact OE1-NE1 3.34Å; E142-Y441 HydrophobicContact CB-CE2 4.22Å; E142-Y441 HydrophobicContact CG-CE2 3.92Å
143	Y	93.6	Very high	95.3	Very high	17 Å²	17	32.8 Å²	32.8	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-35	175.5	75.8	-87.5	0	0	0	113.2	Q141 V146 A147 D183 K310 Y311 P312 Y441	Q141-Y143 VanDerWaalsContact C-N 3.28Å; Q141-Y143 HydrophobicContact CB-CD1 3.65Å; Q141-Y143 HydrophobicContact CB-CE1 3.43Å; Q141-Y143 VanDerWaalsContact CB-CE1 3.43Å; Q141-Y143 HydrophobicContact CG-CD1 4.49Å; Q141-Y143 HydrophobicContact CG-CE1 3.9Å; Q141-Y143 PolarHBondContact O-N 3.25Å; Y143-V146 PolarHBondContact O-N 3.05Å; Y143-A147 WeakPolarHBondContact O-CB 3.37Å; Y143-A147 PolarHBondContact O-N 2.94Å; Y143-D183 HydrophobicContact CE1-CB 4.37Å; Y143-D183 VanDerWaalsContact OH-CB 3.32Å; Y143-D183 WeakPolarHBondContact OH-CB 3.41Å; Y143-D183 PolarHBondContact OH-OD1 3.24Å; Y143-D183 PolarHBondContact OH-OD2 2.94Å; Y143-D183 VanDerWaalsContact OH-OD2 3.04Å; Y143-K310 HydrophobicContact CD1-CB 4.28Å; Y143-K310 HydrophobicContact CD2-CB 4.41Å; Y143-K310 WeakPolarHBondContact CD2-O 3.1Å; Y143-K310 HydrophobicContact CE1-CB 3.91Å; Y143-K310 HydrophobicContact CE1-CD 4.02Å; Y143-K310 HydrophobicContact CE2-CB 4.04Å; Y143-Y311 WeakPolarHBondContact CE2-O 3.45Å; Y143-P312 HydrophobicContact CD2-CB 4.46Å; Y143-Y441 VanDerWaalsContact CB-CD1 3.44Å
144	I	95.8	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-45.4	172.3	-60.7	-65.6	0	0	0	109.5	L140 Q141 E142 V146 A147 I148 L182 D183 L316	L140-I144 HydrophobicContact CD1-CG2 4.2Å; Q141-I144 HydrophobicContact CB-CG1 4.19Å; Q141-I144 WeakPolarHBondContact O-CB 3.2Å; Q141-I144 PolarHBondContact O-N 2.89Å; E142-I144 PolarHBondContact O-N 3.01Å; I144-V146 PolarHBondContact O-N 3.32Å; I144-A147 PolarHBondContact O-N 3.27Å; I144-I148 HydrophobicContact CG2-CD1 3.97Å; I144-I148 WeakPolarHBondContact O-CG1 2.81Å; I144-I148 PolarHBondContact O-N 2.84Å; I144-L182 HydrophobicContact CG2-CB 4.33Å; I144-L182 HydrophobicContact CG2-CD2 4.03Å; I144-D183 HydrophobicContact CG1-CB 4.11Å; I144-L316 HydrophobicContact CD1-CD2 4.24Å; I144-L316 HydrophobicContact CG2-CD2 4.08Å
145	V	97	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-43.9	176.3	-177.6	0	0	0	0	110.7	L140 Q141 E142 A147 I148 V149 V369 L372 L373 W437	L140-V145 HydrophobicContact CB-CG2 3.75Å; Q141-V145 PolarHBondContact O-N 3.33Å; Q141-V145 VanDerWaalsContact O-N 3.08Å; E142-V145 PolarHBondContact O-N 3.21Å; V145-A147 PolarHBondContact O-N 2.89Å; V145-I148 PolarHBondContact O-N 3.16Å; V145-V149 HydrophobicContact CG1-CG2 4.06Å; V145-V149 WeakPolarHBondContact O-CB 3.39Å; V145-V149 WeakPolarHBondContact O-CG2 3.23Å; V145-V149 PolarHBondContact O-N 2.88Å; V145-V369 HydrophobicContact CG1-CG1 4.19Å; V145-L372 HydrophobicContact CG1-CB 4.25Å; V145-L372 HydrophobicContact CG1-CD1 4.31Å; V145-L372 HydrophobicContact CG2-CB 3.91Å; V145-L373 HydrophobicContact CB-CD2 4.27Å; V145-L373 HydrophobicContact CG1-CD2 4.41Å; V145-L373 HydrophobicContact CG1-CG 4.33Å; V145-L373 HydrophobicContact CG2-CD2 3.87Å; V145-L373 HydrophobicContact CG2-CG 4.24Å; V145-W437 HydrophobicContact CG1-CH2 3.97Å; V145-W437 HydrophobicContact CG1-CZ2 4.23Å
146	V	96.3	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-40.4	176.5	166.3	0	0	0	0	112.3	E142 Y143 I144 V149 K150 W437 L438 Y441	E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 3.47Å; Y143-V146 PolarHBondContact O-N 3.05Å; I144-V146 PolarHBondContact O-N 3.32Å; V146-V149 PolarHBondContact O-N 3.28Å; V146-K150 HydrophobicContact CG1-CD 4.02Å; V146-K150 HydrophobicContact CG1-CG 4.4Å; V146-K150 WeakPolarHBondContact O-CB 3.39Å; V146-K150 WeakPolarHBondContact O-CG 3.37Å; V146-K150 PolarHBondContact O-N 2.88Å; V146-W437 HydrophobicContact CG2-CD2 3.92Å; V146-W437 HydrophobicContact CG2-CG 4.41Å; V146-W437 HydrophobicContact CG2-CH2 4.11Å; V146-W437 HydrophobicContact CG2-CZ2 3.4Å; V146-W437 VanDerWaalsContact CG2-CZ2 3.4Å; V146-L438 HydrophobicContact CG1-CG 4.41Å; V146-Y441 HydrophobicContact CB-CD2 4.14Å; V146-Y441 HydrophobicContact CG1-CD2 4.34Å; V146-Y441 HydrophobicContact CG2-CD2 3.79Å; V146-Y441 HydrophobicContact CG2-CE2 4.26Å
147	A	96.1	Very high	96.2	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-63.2	-40.5	175.7	0	0	0	0	0	112.6	Y143 I144 V145 Q151 P312 L316 V443	Y143-A147 WeakPolarHBondContact O-CB 3.37Å; Y143-A147 PolarHBondContact O-N 2.94Å; I144-A147 PolarHBondContact O-N 3.27Å; V145-A147 PolarHBondContact O-N 2.89Å; A147-Q151 WeakPolarHBondContact O-CG 3.47Å; A147-Q151 PolarHBondContact O-NE2 2.72Å; A147-Q151 VanDerWaalsContact O-NE2 3.15Å; A147-P312 HydrophobicContact CB-CB 3.54Å; A147-P312 HydrophobicContact CB-CG 3.75Å; A147-L316 HydrophobicContact CB-CD2 3.96Å; A147-V443 HydrophobicContact CB-CG2 4.43Å
148	I	97.7	Very high	96.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-50.3	173.6	-71.6	167.1	0	0	0	110.6	L127 L140 I144 V145 K150 Q151 I152 L316 T318 L372	L127-I148 HydrophobicContact CD1-CG2 3.84Å; L127-I148 HydrophobicContact CD2-CD1 4.13Å; L140-I148 HydrophobicContact CD1-CD1 4.17Å; I144-I148 HydrophobicContact CG2-CD1 3.97Å; I144-I148 WeakPolarHBondContact O-CG1 2.81Å; I144-I148 PolarHBondContact O-N 2.84Å; V145-I148 PolarHBondContact O-N 3.16Å; I148-K150 PolarHBondContact O-N 3.07Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-I152 HydrophobicContact CG2-CD1 3.58Å; I148-I152 WeakPolarHBondContact O-CG1 3.39Å; I148-I152 PolarHBondContact O-N 3.33Å; I148-I152 VanDerWaalsContact O-N 3.08Å; I148-L316 HydrophobicContact CG1-CD1 4.24Å; I148-L316 HydrophobicContact CG1-CD2 4.37Å; I148-T318 HydrophobicContact CB-CG2 4.29Å; I148-T318 HydrophobicContact CG1-CG2 4.01Å; I148-T318 HydrophobicContact CG2-CG2 4.17Å; I148-L372 HydrophobicContact CD1-CD1 4.45Å; I148-L372 HydrophobicContact CG2-CD1 3.93Å
149	V	97.9	Very high	96.7	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-64.6	-40.6	-176.4	174.3	0	0	0	0	112	V145 V146 Q151 I152 A153 L365 V369 L432 W437 L438	V145-V149 HydrophobicContact CG1-CG2 4.06Å; V145-V149 WeakPolarHBondContact O-CB 3.39Å; V145-V149 WeakPolarHBondContact O-CG2 3.23Å; V145-V149 PolarHBondContact O-N 2.88Å; V146-V149 PolarHBondContact O-N 3.28Å; V149-Q151 VanDerWaalsContact C-N 3.3Å; V149-Q151 PolarHBondContact O-N 3.16Å; V149-I152 PolarHBondContact O-N 3.35Å; V149-A153 WeakPolarHBondContact O-CB 3.33Å; V149-A153 PolarHBondContact O-N 3.47Å; V149-L365 HydrophobicContact CG1-CD2 4.41Å; V149-V369 HydrophobicContact CG2-CG2 3.37Å; V149-L432 HydrophobicContact CG1-CD2 4.1Å; V149-W437 HydrophobicContact CG1-CZ3 4.24Å; V149-W437 HydrophobicContact CG2-CH2 4.17Å; V149-W437 HydrophobicContact CG2-CZ3 4.37Å; V149-L438 HydrophobicContact CG1-CD1 4.07Å; V149-L438 HydrophobicContact CG1-CD2 4.19Å
150	K	96.9	Very high	96.7	Very high	43 Å²	43	13.1 Å²	13.1	19%	0.187	7%	0.066	C	C	.	.	H	α-helix	trans	-54.3	-46.1	174.5	-83.1	171.4	176.2	174.2	0	112	V146 I148 S154 L438 Y441 V443	V146-K150 HydrophobicContact CG1-CD 4.02Å; V146-K150 HydrophobicContact CG1-CG 4.4Å; V146-K150 WeakPolarHBondContact O-CB 3.39Å; V146-K150 WeakPolarHBondContact O-CG 3.37Å; V146-K150 PolarHBondContact O-N 2.88Å; I148-K150 PolarHBondContact O-N 3.07Å; K150-S154 VanDerWaalsContact O-CB 3.31Å; K150-S154 WeakPolarHBondContact O-CB 3.47Å; K150-S154 PolarHBondContact O-N 3.11Å; K150-L438 HydrophobicContact CB-CD2 4.36Å; K150-L438 WeakPolarHBondContact CE-O 3.48Å; K150-L438 HydrophobicContact CG-CB 4.24Å; K150-L438 HydrophobicContact CG-CD2 3.56Å; K150-L438 HydrophobicContact CG-CG 3.83Å; K150-L438 PolarHBondContact NZ-O 3.41Å; K150-Y441 PolarHBondContact NZ-O 2.93Å; K150-V443 HydrophobicContact CD-CB 4.14Å; K150-V443 HydrophobicContact CD-CG1 4.37Å; K150-V443 HydrophobicContact CD-CG2 3.79Å; K150-V443 VanDerWaalsContact NZ-CG2 3.31Å
151	Q	97.5	Very high	96.6	Very high	48 Å²	48	17.7 Å²	17.7	22%	0.224	9%	0.09	C	C	.	.	H	α-helix	trans	-70.6	-41.6	-178.2	-66.9	177.3	57.2	0	0	112.3	A147 I148 V149 S154 A155 L316 T318	A147-Q151 WeakPolarHBondContact O-CG 3.47Å; A147-Q151 PolarHBondContact O-NE2 2.72Å; A147-Q151 VanDerWaalsContact O-NE2 3.15Å; I148-Q151 PolarHBondContact O-N 3.04Å; V149-Q151 VanDerWaalsContact C-N 3.3Å; V149-Q151 PolarHBondContact O-N 3.16Å; Q151-S154 WeakPolarHBondContact O-CB 3.42Å; Q151-S154 PolarHBondContact O-N 3.33Å; Q151-A155 PolarHBondContact O-N 3.34Å; Q151-L316 PolarHBondContact NE2-O 3.14Å; Q151-T318 WeakPolarHBondContact CB-OG1 3.49Å; Q151-T318 PolarHBondContact OE1-OG1 3.1Å
152	I	98.1	Very high	96.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-46.7	174.6	-63.5	163.4	0	0	0	110.6	I148 V149 S154 A155 L156 L169 I174 L320 L365	I148-I152 HydrophobicContact CG2-CD1 3.58Å; I148-I152 WeakPolarHBondContact O-CG1 3.39Å; I148-I152 PolarHBondContact O-N 3.33Å; I148-I152 VanDerWaalsContact O-N 3.08Å; V149-I152 PolarHBondContact O-N 3.35Å; I152-S154 VanDerWaalsContact C-N 3.28Å; I152-S154 PolarHBondContact O-N 2.78Å; I152-A155 PolarHBondContact O-N 3.49Å; I152-A155 VanDerWaalsContact O-N 3.14Å; I152-L156 HydrophobicContact CG2-CD1 3.94Å; I152-L156 HydrophobicContact CG2-CG 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 3.01Å; I152-L169 HydrophobicContact CG2-CD2 4.36Å; I152-I174 HydrophobicContact CD1-CD1 3.65Å; I152-I174 HydrophobicContact CD1-CG1 4.32Å; I152-I174 HydrophobicContact CD1-CG2 4.2Å; I152-I174 HydrophobicContact CG1-CD1 4.48Å; I152-I174 HydrophobicContact CG1-CG2 4.44Å; I152-L320 HydrophobicContact CG1-CD2 4.34Å; I152-L320 HydrophobicContact CG2-CD2 4.22Å; I152-L365 HydrophobicContact CB-CD1 4.35Å; I152-L365 HydrophobicContact CD1-CD1 4.12Å; I152-L365 HydrophobicContact CG2-CD1 3.86Å; I152-L365 HydrophobicContact CG2-CD2 4.1Å
153	A	97.9	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-38.3	177.8	0	0	0	0	0	111.8	V149 L156 S157 L432 L433	V149-A153 WeakPolarHBondContact O-CB 3.33Å; V149-A153 PolarHBondContact O-N 3.47Å; A153-L156 PolarHBondContact O-N 3.35Å; A153-S157 VanDerWaalsContact O-CB 3.29Å; A153-S157 WeakPolarHBondContact O-CB 3.43Å; A153-S157 PolarHBondContact O-N 3.45Å; A153-L432 HydrophobicContact CB-CD2 3.71Å; A153-L432 HydrophobicContact CB-CG 4.07Å; A153-L433 HydrophobicContact CB-CD2 3.81Å; A153-L433 HydrophobicContact CB-CG 3.93Å
154	S	97.7	Very high	96.2	Very high	42 Å²	42	20.9 Å²	20.9	29%	0.294	10%	0.102	S	C	.	.	H	α-helix	trans	-63.1	-45.9	173.3	-173.5	0	0	0	0	111.9	H99 K150 Q151 I152 S157 Y158	H99-S154 PolarHBondContact CE1-OG 2.9Å; H99-S154 PolarHBondContact NE2-OG 3.33Å; K150-S154 VanDerWaalsContact O-CB 3.31Å; K150-S154 WeakPolarHBondContact O-CB 3.47Å; K150-S154 PolarHBondContact O-N 3.11Å; Q151-S154 WeakPolarHBondContact O-CB 3.42Å; Q151-S154 PolarHBondContact O-N 3.33Å; I152-S154 VanDerWaalsContact C-N 3.28Å; I152-S154 PolarHBondContact O-N 2.78Å; S154-S157 PolarHBondContact O-N 3.21Å; S154-Y158 WeakPolarHBondContact O-CB 3.41Å; S154-Y158 PolarHBondContact O-N 3.21Å
155	A	98	Very high	96.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-41.6	176	0	0	0	0	0	113	H99 I102 Q151 I152 Y158 L159 L320	H99-A155 VanDerWaalsContact CE1-CA 3.48Å; H99-A155 WeakPolarHBondContact CE1-CA 3.47Å; H99-A155 PolarHBondContact CE1-N 3.05Å; H99-A155 VanDerWaalsContact CE1-N 3.34Å; I102-A155 HydrophobicContact CD1-CB 4.45Å; I102-A155 HydrophobicContact CG1-CB 3.9Å; Q151-A155 PolarHBondContact O-N 3.34Å; I152-A155 PolarHBondContact O-N 3.49Å; I152-A155 VanDerWaalsContact O-N 3.14Å; A155-Y158 WeakPolarHBondContact O-CB 3.46Å; A155-Y158 PolarHBondContact O-N 3.16Å; A155-L159 WeakPolarHBondContact O-CD1 3.35Å; A155-L159 VanDerWaalsContact O-CG 3.29Å; A155-L159 WeakPolarHBondContact O-CG 3.44Å; A155-L159 PolarHBondContact O-N 3.06Å; A155-L320 HydrophobicContact CB-CD1 3.69Å; A155-L320 HydrophobicContact CB-CG 4.09Å
156	L	97.7	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-44.3	175	-69.5	177.9	0	0	0	111.4	I152 A153 Y158 L159 H160 H166 L169 L320 D361 L362 L365 A429	I152-L156 HydrophobicContact CG2-CD1 3.94Å; I152-L156 HydrophobicContact CG2-CG 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.34Å; I152-L156 PolarHBondContact O-N 3.01Å; A153-L156 PolarHBondContact O-N 3.35Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 2.87Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-H160 WeakPolarHBondContact O-CB 3.45Å; L156-H160 PolarHBondContact O-CD2 3.05Å; L156-H160 VanDerWaalsContact O-CD2 3.25Å; L156-H160 PolarHBondContact O-N 2.95Å; L156-H166 HydrophobicContact CD2-CB 4.46Å; L156-L169 HydrophobicContact CD1-CD2 4.07Å; L156-L320 HydrophobicContact CD2-CD1 4.11Å; L156-L320 HydrophobicContact CG-CD1 4.43Å; L156-D361 HydrophobicContact CD1-CB 4.22Å; L156-D361 HydrophobicContact CD2-CB 3.94Å; L156-L362 HydrophobicContact CD1-CD1 4.15Å; L156-L365 HydrophobicContact CD1-CD2 4.11Å; L156-A429 HydrophobicContact CB-CB 3.92Å
157	S	97.2	Very high	95.6	Very high	14 Å²	14	22 Å²	22	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-54.4	-49.1	172.7	167.6	0	0	0	0	111.4	A153 S154 L159 H160 N161 N430	A153-S157 VanDerWaalsContact O-CB 3.29Å; A153-S157 WeakPolarHBondContact O-CB 3.43Å; A153-S157 PolarHBondContact O-N 3.45Å; S154-S157 PolarHBondContact O-N 3.21Å; S157-L159 VanDerWaalsContact C-N 3.32Å; S157-L159 PolarHBondContact O-N 3.23Å; S157-H160 PolarHBondContact O-N 3.05Å; S157-N161 VanDerWaalsContact O-CB 3.28Å; S157-N161 WeakPolarHBondContact O-CB 2.9Å; S157-N161 PolarHBondContact O-N 2.59Å; S157-N161 PolarHBondContact O-ND2 3.48Å; S157-N161 VanDerWaalsContact O-ND2 3.14Å; S157-N161 PolarHBondContact OG-ND2 2.6Å; S157-N430 WeakPolarHBondContact CB-OD1 3.17Å; S157-N430 PolarHBondContact OG-OD1 3.02Å
158	Y	97.4	Very high	95.3	Very high	34 Å²	34	22.3 Å²	22.3	13%	0.133	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-42.8	177.8	175.4	-81.8	0	0	0	113.2	V97 K98 H99 I102 S154 A155 L156 R162	V97-Y158 HydrophobicContact CB-CE1 3.91Å; V97-Y158 HydrophobicContact CG1-CE1 4.11Å; K98-Y158 PolarHBondContact N-OH 3.43Å; K98-Y158 WeakPolarHBondContact O-CE2 3.35Å; K98-Y158 VanDerWaalsContact O-CZ 3.24Å; K98-Y158 PolarHBondContact O-OH 2.73Å; H99-Y158 HydrophobicContact CB-CD1 4.04Å; H99-Y158 HydrophobicContact CB-CD2 4.11Å; H99-Y158 HydrophobicContact CB-CE1 4.29Å; H99-Y158 HydrophobicContact CB-CE2 4.31Å; H99-Y158 HydrophobicContact CB-CG 3.98Å; H99-Y158 AromaticContact CD2-CD2 3.62Å; H99-Y158 AromaticContact CD2-CG 3.73Å; H99-Y158 AromaticContact CG-CG 3.96Å; I102-Y158 HydrophobicContact CD1-CD1 3.82Å; I102-Y158 HydrophobicContact CD1-CE1 4.28Å; S154-Y158 WeakPolarHBondContact O-CB 3.41Å; S154-Y158 PolarHBondContact O-N 3.21Å; A155-Y158 WeakPolarHBondContact O-CB 3.46Å; A155-Y158 PolarHBondContact O-N 3.16Å; L156-Y158 VanDerWaalsContact C-N 3.33Å; L156-Y158 PolarHBondContact O-N 2.87Å; Y158-R162 VanDerWaalsContact CD2-NH1 3.29Å; Y158-R162 VanDerWaalsContact CE2-NH1 3.26Å; Y158-R162 PolarHBondContact O-NH1 2.95Å; Y158-R162 PolarHBondContact OH-NE 3.25Å
159	L	96	Very high	95.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.2	-49.8	178.6	-71.9	164.7	0	0	0	111.6	V97 I102 A155 L156 S157 N161 R162 G163 I164 L320 F323	V97-L159 HydrophobicContact CG1-CD2 3.84Å; I102-L159 HydrophobicContact CD1-CD1 3.98Å; I102-L159 HydrophobicContact CD1-CD2 3.86Å; I102-L159 HydrophobicContact CD1-CG 3.74Å; A155-L159 WeakPolarHBondContact O-CD1 3.35Å; A155-L159 VanDerWaalsContact O-CG 3.29Å; A155-L159 WeakPolarHBondContact O-CG 3.44Å; A155-L159 PolarHBondContact O-N 3.06Å; L156-L159 PolarHBondContact O-N 2.91Å; S157-L159 VanDerWaalsContact C-N 3.32Å; S157-L159 PolarHBondContact O-N 3.23Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.84Å; L159-R162 CarbonylContact O-C 3.59Å; L159-R162 WeakPolarHBondContact O-CA 3.06Å; L159-R162 WeakPolarHBondContact O-CB 3.4Å; L159-R162 PolarHBondContact O-N 3.14Å; L159-G163 PolarHBondContact O-N 3.12Å; L159-I164 CarbonylContact C-O 3.49Å; L159-I164 VanDerWaalsContact C-O 3.31Å; L159-I164 HydrophobicContact CB-CB 4.18Å; L159-I164 HydrophobicContact CD2-CB 3.98Å; L159-I164 HydrophobicContact CD2-CD1 4.07Å; L159-I164 HydrophobicContact CD2-CG2 3.83Å; L159-I164 PolarHBondContact O-N 3.39Å; L159-L320 HydrophobicContact CD1-CD1 4.21Å; L159-F323 HydrophobicContact CD1-CE1 3.75Å; L159-F323 HydrophobicContact CD1-CZ 4.19Å; L159-F323 HydrophobicContact CD2-CE1 3.79Å; L159-F323 HydrophobicContact CD2-CZ 4.47Å; L159-F323 HydrophobicContact CG-CE1 4.44Å
160	H	95.5	Very high	94.9	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-38.8	-177.1	-70.8	-170.5	0	0	0	111.6	L156 S157 R162 G163 I164 R358 D361 L362	L156-H160 WeakPolarHBondContact O-CB 3.45Å; L156-H160 PolarHBondContact O-CD2 3.05Å; L156-H160 VanDerWaalsContact O-CD2 3.25Å; L156-H160 PolarHBondContact O-N 2.95Å; S157-H160 PolarHBondContact O-N 3.05Å; H160-R162 PolarHBondContact O-N 3.49Å; H160-G163 PolarHBondContact O-N 2.92Å; H160-I164 PolarHBondContact CD2-O 3.46Å; H160-I164 VanDerWaalsContact CD2-O 3.29Å; H160-I164 PolarHBondContact N-O 3.31Å; H160-R358 HydrophobicContact CB-CG 4.34Å; H160-R358 PolarHBondContact CE1-O 3.13Å; H160-R358 PolarHBondContact O-NE 3.4Å; H160-R358 PolarHBondContact O-NH1 3.2Å; H160-R358 PolarHBondContact O-NH2 3.33Å; H160-D361 IonicContact CD2-OD2 3.03Å; H160-D361 IonicContact CE1-OD2 3.52Å; H160-D361 IonicContact NE2-OD2 3.61Å; H160-D361 PolarHBondContact NE2-OD2 3.3Å; H160-L362 VanDerWaalsContact CE1-CD2 3.46Å; H160-L362 WeakPolarHBondContact CE1-CD2 3.47Å
161	N	93.9	Very high	94.8	Very high	97 Å²	97	22.3 Å²	22.3	52%	0.519	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.1	173.9	-69.1	-22.9	0	0	0	112.9	S157 L159 N430	S157-N161 VanDerWaalsContact O-CB 3.28Å; S157-N161 WeakPolarHBondContact O-CB 2.9Å; S157-N161 PolarHBondContact O-N 2.59Å; S157-N161 PolarHBondContact O-ND2 3.48Å; S157-N161 VanDerWaalsContact O-ND2 3.14Å; S157-N161 PolarHBondContact OG-ND2 2.6Å; L159-N161 VanDerWaalsContact C-N 3.32Å; L159-N161 PolarHBondContact O-N 2.84Å; N161-N430 PolarHBondContact OD1-ND2 3.32Å
162	R	93.3	Very high	94.6	Very high	126 Å²	126	21.2 Å²	21.2	48%	0.475	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.2	170.9	-72.6	167.7	178.4	68	8.2	113.3	Y158 L159 H160 I164	Y158-R162 VanDerWaalsContact CD2-NH1 3.29Å; Y158-R162 VanDerWaalsContact CE2-NH1 3.26Å; Y158-R162 PolarHBondContact O-NH1 2.95Å; Y158-R162 PolarHBondContact OH-NE 3.25Å; L159-R162 CarbonylContact O-C 3.59Å; L159-R162 WeakPolarHBondContact O-CA 3.06Å; L159-R162 WeakPolarHBondContact O-CB 3.4Å; L159-R162 PolarHBondContact O-N 3.14Å; H160-R162 PolarHBondContact O-N 3.49Å; R162-I164 HydrophobicContact CB-CD1 4.22Å; R162-I164 HydrophobicContact CB-CG1 4.36Å; R162-I164 PolarHBondContact O-N 3.16Å
163	G	91	Very high	94.4	Very high	6 Å²	6	21.8 Å²	21.8	6%	0.062	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	8.6	-175.8	0	0	0	0	0	114.5	L159 H160 V329	L159-G163 PolarHBondContact O-N 3.12Å; H160-G163 PolarHBondContact O-N 2.92Å; G163-V329 WeakPolarHBondContact O-CB 3.4Å; G163-V329 WeakPolarHBondContact O-CG2 3.38Å; G163-V329 PolarHBondContact O-N 3.36Å
164	I	91.6	Very high	94.4	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.082	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.5	178.3	-56.9	165.4	0	0	0	109	I93 V97 L159 H160 R162 A326 I327	I93-I164 HydrophobicContact CD1-CG2 4.12Å; I93-I164 HydrophobicContact CG2-CD1 4.27Å; I93-I164 HydrophobicContact CG2-CG2 4.43Å; V97-I164 HydrophobicContact CG1-CD1 3.76Å; L159-I164 CarbonylContact C-O 3.49Å; L159-I164 VanDerWaalsContact C-O 3.31Å; L159-I164 HydrophobicContact CB-CB 4.18Å; L159-I164 HydrophobicContact CD2-CB 3.98Å; L159-I164 HydrophobicContact CD2-CD1 4.07Å; L159-I164 HydrophobicContact CD2-CG2 3.83Å; L159-I164 PolarHBondContact O-N 3.39Å; H160-I164 PolarHBondContact CD2-O 3.46Å; H160-I164 VanDerWaalsContact CD2-O 3.29Å; H160-I164 PolarHBondContact N-O 3.31Å; R162-I164 HydrophobicContact CB-CD1 4.22Å; R162-I164 HydrophobicContact CB-CG1 4.36Å; R162-I164 PolarHBondContact O-N 3.16Å; I164-A326 HydrophobicContact CG2-CB 4.34Å; I164-I327 VanDerWaalsContact CA-O 3.27Å; I164-I327 WeakPolarHBondContact CA-O 3.12Å
165	V	92.9	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.6	172.3	-174	0	0	0	0	108.4	R167 A326 I327 V329 R358 D361	V165-R167 HydrophobicContact CB-CG 4.14Å; V165-R167 HydrophobicContact CG1-CG 3.62Å; V165-A326 CarbonylContact O-C 3.59Å; V165-A326 WeakPolarHBondContact O-CA 3.34Å; V165-A326 VanDerWaalsContact O-CB 3.23Å; V165-A326 WeakPolarHBondContact O-CB 3.22Å; V165-I327 HydrophobicContact CB-CG1 4.18Å; V165-I327 PolarHBondContact N-O 3.41Å; V165-I327 PolarHBondContact O-N 2.94Å; V165-V329 HydrophobicContact CG2-CG2 3.64Å; V165-R358 HydrophobicContact CG2-CB 4.39Å; V165-R358 HydrophobicContact CG2-CG 3.67Å; V165-D361 WeakPolarHBondContact CG1-OD2 3.18Å
166	H	92.3	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.			trans	-76.6	-44.6	-174.2	-164.6	-80	0	0	0	112.7	L156 D168 I321 D322 F323 L325 A326 D361	L156-H166 HydrophobicContact CD2-CB 4.46Å; H166-D168 PolarHBondContact CE1-O 3.29Å; H166-D168 PolarHBondContact ND1-O 2.72Å; H166-D168 PolarHBondContact O-N 3.28Å; H166-I321 PolarHBondContact NE2-O 2.8Å; H166-D322 PolarHBondContact CE1-O 3.15Å; H166-F323 AromaticContact CD2-CE1 3.68Å; H166-L325 CarbonylContact O-C 3.56Å; H166-A326 WeakPolarHBondContact O-CA 3.38Å; H166-A326 PolarHBondContact O-N 3.25Å; H166-D361 PolarHBondContact N-OD1 3.14Å; H166-D361 PolarHBondContact N-OD2 2.83Å
167	R	90.7	Very high	94.3	Very high	22 Å²	22	23.3 Å²	23.3	8%	0.083	12%	0.117	C	C	.	.			trans	64	-18.5	177.7	-53	-166.2	-60.6	163.8	6.1	117.7	V165 L325 Y356 D361	V165-R167 HydrophobicContact CB-CG 4.14Å; V165-R167 HydrophobicContact CG1-CG 3.62Å; R167-L325 PolarHBondContact NE-O 3.25Å; R167-L325 PolarHBondContact NH2-O 3.27Å; R167-Y356 VanDerWaalsContact CD-CD1 3.44Å; R167-Y356 HydrophobicContact CG-CD1 4.08Å; R167-D361 PolarHBondContact N-OD1 3.36Å
168	D	89.7	Confident	94.3	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.048	13%	0.126	C	C	.	.			trans	-124.7	50.8	174.3	-168.4	39.5	0	0	0	111.8	H166 K170 N173 L325 G341 T342	H166-D168 PolarHBondContact CE1-O 3.29Å; H166-D168 PolarHBondContact ND1-O 2.72Å; H166-D168 PolarHBondContact O-N 3.28Å; D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 IonicContact OD1-NZ 2.86Å; D168-K170 PolarHBondContact OD1-NZ 3.29Å; D168-K170 WeakPolarHBondContact OD2-CE 3.42Å; D168-K170 IonicContact OD2-NZ 3.72Å; D168-K170 PolarHBondContact OD2-NZ 3.23Å; D168-N173 PolarHBondContact O-ND2 3.46Å; D168-N173 PolarHBondContact OD2-ND2 2.94Å; D168-L325 HydrophobicContact CB-CB 3.96Å; D168-L325 HydrophobicContact CB-CD1 3.72Å; D168-L325 HydrophobicContact CB-CG 4.38Å; D168-G341 WeakPolarHBondContact OD1-CA 3.4Å; D168-T342 PolarHBondContact OD1-N 3.04Å
169	L	94.3	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.			trans	-79	119.6	176.5	-169.1	74.2	0	0	0	109.6	I152 L156 I174 L320 D361 S364 L365 I368	I152-L169 HydrophobicContact CG2-CD2 4.36Å; L156-L169 HydrophobicContact CD1-CD2 4.07Å; L169-I174 HydrophobicContact CD1-CD1 4.36Å; L169-I174 HydrophobicContact CD1-CG1 4.31Å; L169-L320 HydrophobicContact CD1-CD2 3.64Å; L169-D361 WeakPolarHBondContact CD2-O 3.48Å; L169-S364 WeakPolarHBondContact O-CB 3.46Å; L169-L365 HydrophobicContact CD2-CB 3.93Å; L169-I368 HydrophobicContact CD2-CD1 3.97Å; L169-I368 HydrophobicContact CG-CD1 3.7Å
170	K	93.5	Very high	94.1	Very high	40 Å²	40	32.7 Å²	32.7	17%	0.174	16%	0.162	C	C	.	.			trans	-155.6	162.6	-180	63.8	-162.3	178.5	-152	0	110.1	D168 G172 N173 T342 Y345	D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 IonicContact OD1-NZ 2.86Å; D168-K170 PolarHBondContact OD1-NZ 3.29Å; D168-K170 WeakPolarHBondContact OD2-CE 3.42Å; D168-K170 IonicContact OD2-NZ 3.72Å; D168-K170 PolarHBondContact OD2-NZ 3.23Å; K170-G172 PolarHBondContact O-N 3.1Å; K170-G172 VanDerWaalsContact O-N 3.11Å; K170-N173 WeakPolarHBondContact CE-ND2 3.43Å; K170-N173 WeakPolarHBondContact CE-OD1 3.42Å; K170-N173 HydrophobicContact CG-CB 4.11Å; K170-N173 PolarHBondContact O-N 3.09Å; K170-T342 PolarHBondContact NZ-OG1 3.4Å; K170-Y345 HydrophobicContact CB-CD1 4.34Å; K170-Y345 HydrophobicContact CB-CD2 3.72Å; K170-Y345 HydrophobicContact CB-CE1 4.31Å; K170-Y345 HydrophobicContact CB-CE2 3.69Å; K170-Y345 HydrophobicContact CB-CG 4.06Å
171	P	94.6	Very high	94	Very high	4 Å²	4	40 Å²	40	3%	0.026	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28.1	-178.4	-24.2	35.2	0	0	0	113.8	L127 D128 N173 I174 Y345 I368	L127-P171 HydrophobicContact CB-CB 4.09Å; L127-P171 PolarHBondContact N-O 3.12Å; D128-P171 HydrophobicContact CB-CB 4.01Å; D128-P171 PolarHBondContact N-O 2.96Å; D128-P171 VanDerWaalsContact N-O 3.12Å; P171-N173 VanDerWaalsContact C-N 3.3Å; P171-N173 PolarHBondContact O-N 2.98Å; P171-I174 PolarHBondContact O-N 3.18Å; P171-Y345 VanDerWaalsContact CD-CE1 3.42Å; P171-Y345 HydrophobicContact CG-CE1 4.16Å; P171-I368 HydrophobicContact CG-CG1 4.12Å
172	G	92.7	Very high	94.1	Very high	25 Å²	25	36.1 Å²	36.1	26%	0.258	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-68.7	-25	174	0	0	0	0	0	114.4	K170	K170-G172 PolarHBondContact O-N 3.1Å; K170-G172 VanDerWaalsContact O-N 3.11Å
173	N	95	Very high	94.1	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.07	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-98.5	13.6	-179.6	-68.8	2.3	0	0	0	112.8	D168 K170 P171 I321	D168-N173 PolarHBondContact O-ND2 3.46Å; D168-N173 PolarHBondContact OD2-ND2 2.94Å; K170-N173 WeakPolarHBondContact CE-ND2 3.43Å; K170-N173 WeakPolarHBondContact CE-OD1 3.42Å; K170-N173 HydrophobicContact CG-CB 4.11Å; K170-N173 PolarHBondContact O-N 3.09Å; P171-N173 VanDerWaalsContact C-N 3.3Å; P171-N173 PolarHBondContact O-N 2.98Å; N173-I321 VanDerWaalsContact C-CG1 3.47Å; N173-I321 HydrophobicContact CB-CG1 4.26Å; N173-I321 VanDerWaalsContact O-CG1 3.29Å; N173-I321 WeakPolarHBondContact O-CG1 3.47Å; N173-I321 PolarHBondContact O-N 3.03Å
174	I	97.1	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.1	173.3	-57.2	158	0	0	0	107	S126 L127 I152 L169 P171 K319 L320 I368	S126-I174 CarbonylContact C-O 3.4Å; S126-I174 VanDerWaalsContact CA-O 3.3Å; S126-I174 WeakPolarHBondContact CA-O 3.47Å; L127-I174 HydrophobicContact CD1-CB 3.87Å; L127-I174 HydrophobicContact CD1-CD1 4.15Å; L127-I174 HydrophobicContact CD1-CG2 3.51Å; L127-I174 HydrophobicContact CG-CB 4.11Å; L127-I174 HydrophobicContact CG-CG2 3.89Å; L127-I174 PolarHBondContact N-O 3.07Å; I152-I174 HydrophobicContact CD1-CD1 3.65Å; I152-I174 HydrophobicContact CD1-CG1 4.32Å; I152-I174 HydrophobicContact CD1-CG2 4.2Å; I152-I174 HydrophobicContact CG1-CD1 4.48Å; I152-I174 HydrophobicContact CG1-CG2 4.44Å; L169-I174 HydrophobicContact CD1-CD1 4.36Å; L169-I174 HydrophobicContact CD1-CG1 4.31Å; P171-I174 PolarHBondContact O-N 3.18Å; I174-K319 WeakPolarHBondContact CA-O 3.46Å; I174-L320 HydrophobicContact CG1-CD2 3.84Å; I174-I368 HydrophobicContact CD1-CD1 3.94Å; I174-I368 HydrophobicContact CD1-CG2 4.28Å
175	M	97	Very high	94.5	Very high	45 Å²	45	37.5 Å²	37.5	22%	0.222	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155	177.2	-67.2	-166.5	77.7	0	0	112.3	C122 N125 T318 K319 I321	C122-M175 HydrophobicContact CB-CB 3.83Å; C122-M175 HydrophobicContact CB-CE 3.69Å; C122-M175 HydrophobicContact CB-SD 3.94Å; N125-M175 CarbonylContact O-C 3.51Å; N125-M175 VanDerWaalsContact O-CA 3.3Å; N125-M175 WeakPolarHBondContact O-CA 3.29Å; M175-T318 CarbonylContact O-C 3.53Å; M175-T318 WeakPolarHBondContact O-CA 3.46Å; M175-K319 PolarHBondContact N-O 3.39Å; M175-K319 PolarHBondContact O-N 3.34Å; M175-I321 HydrophobicContact CG-CD1 3.86Å; M175-I321 HydrophobicContact CG-CG1 4.25Å; M175-I321 HydrophobicContact CG-CG2 4.2Å; M175-I321 HydrophobicContact SD-CD1 3.93Å; M175-I321 HydrophobicContact SD-CG2 4.28Å
176	L	97.7	Very high	94.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.2	168.6	-58.2	-178.5	0	0	0	109.2	C122 G124 N125 L127 V180 L182 L316 Q317 T318	C122-L176 WeakPolarHBondContact CB-O 3.31Å; G124-L176 WeakPolarHBondContact CA-O 3.18Å; G124-L176 PolarHBondContact N-O 2.87Å; N125-L176 PolarHBondContact O-N 3.5Å; L127-L176 HydrophobicContact CD2-CD1 4.3Å; L127-L176 HydrophobicContact CD2-CD2 3.91Å; L127-L176 HydrophobicContact CD2-CG 4.14Å; L176-V180 HydrophobicContact CD1-CG1 3.76Å; L176-L182 HydrophobicContact CD1-CD1 4.19Å; L176-L182 HydrophobicContact CD1-CD2 4.34Å; L176-L316 HydrophobicContact CD2-CD1 3.85Å; L176-Q317 CarbonylContact C-O 3.59Å; L176-Q317 WeakPolarHBondContact CA-O 3.49Å; L176-T318 HydrophobicContact CD2-CG2 3.95Å
177	L	96.8	Very high	94.4	Very high	29 Å²	29	42.4 Å²	42.4	15%	0.152	22%	0.221	C	C	.	.	S	Bend	trans	-63.6	-43.9	-178.1	-179	63.1	0	0	0	111.1	L121 E123 Q317 K319	L121-L177 WeakPolarHBondContact O-CD1 3.39Å; E123-L177 PolarHBondContact N-O 2.97Å; L177-Q317 HydrophobicContact CB-CB 4.11Å; L177-Q317 HydrophobicContact CB-CG 4.21Å; L177-Q317 HydrophobicContact CD2-CG 4.24Å; L177-Q317 VanDerWaalsContact CD2-OE1 3.29Å; L177-Q317 PolarHBondContact N-O 2.88Å; L177-K319 HydrophobicContact CB-CG 4.28Å
178	N	96.6	Very high	94.2	Very high	55 Å²	55	44.3 Å²	44.3	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-110	156.6	-178.4	-50.4	-54.7	0	0	0	110.1	G124 V180 E315	G124-N178 VanDerWaalsContact CA-O 3.26Å; G124-N178 WeakPolarHBondContact CA-O 3.36Å; N178-V180 PolarHBondContact O-N 3.25Å; N178-E315 HydrophobicContact CB-CB 4.02Å; N178-E315 WeakPolarHBondContact CB-O 3.33Å; N178-E315 PolarHBondContact ND2-O 3.5Å
179	K	95.5	Very high	93.7	Very high	157 Å²	157	48.9 Å²	48.9	68%	0.683	27%	0.266	S	S	*	.			trans	-69	127.6	164.3	-67.2	178.9	-177.5	179.7	0	108.5	E123	E123-K179 HydrophobicContact CB-CG 4.14Å; E123-K179 WeakPolarHBondContact O-CE 3.21Å; E123-K179 WeakPolarHBondContact O-CG 3.28Å
180	V	95	Very high	92.4	Very high	33 Å²	33	54.8 Å²	54.8	20%	0.2	30%	0.302	C	S	.	.			trans	-150	140.9	-176.3	60.5	0	0	0	0	108.5	L176 N178 L182 P313 E315 L316	L176-V180 HydrophobicContact CD1-CG1 3.76Å; N178-V180 PolarHBondContact O-N 3.25Å; V180-L182 HydrophobicContact CG1-CD2 3.99Å; V180-P313 HydrophobicContact CG2-CB 3.55Å; V180-P313 HydrophobicContact CG2-CG 3.78Å; V180-E315 HydrophobicContact CB-CB 4.25Å; V180-E315 HydrophobicContact CG2-CB 4.29Å; V180-L316 HydrophobicContact CG1-CD1 4.07Å; V180-L316 HydrophobicContact CG2-CB 4.33Å
181	E	93.4	Very high	90.3	Very high	162 Å²	162	60.1 Å²	60.1	76%	0.757	33%	0.332	S	S	*	.			trans	-82.9	136.4	171.6	-170.8	166.9	-174.3	0	0	109.1
182	L	95	Very high	87.6	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.084	36%	0.358	C	S	.	.			trans	-111	110.4	-177.3	-57	-178.3	0	0	0	109.4	C130 L140 I144 L176 V180 F184 L316	C130-L182 HydrophobicContact CB-CD1 4.08Å; L140-L182 HydrophobicContact CD1-CD1 4.04Å; L140-L182 HydrophobicContact CD2-CB 3.7Å; L140-L182 HydrophobicContact CD2-CD1 4.18Å; I144-L182 HydrophobicContact CG2-CB 4.33Å; I144-L182 HydrophobicContact CG2-CD2 4.03Å; L176-L182 HydrophobicContact CD1-CD1 4.19Å; L176-L182 HydrophobicContact CD1-CD2 4.34Å; V180-L182 HydrophobicContact CG1-CD2 3.99Å; L182-F184 PolarHBondContact O-N 3.2Å; L182-L316 HydrophobicContact CD2-CD1 3.69Å; L182-L316 HydrophobicContact CD2-CD2 4.42Å
183	D	94.8	Very high	84.8	Confident	58 Å²	58	72.1 Å²	72.1	31%	0.31	39%	0.388	S	S	.	.			trans	-54.6	134.5	174.4	-74.4	56.3	0	0	0	111.3	Q141 Y143 I144 K310	Q141-D183 HydrophobicContact CB-CB 4.13Å; Q141-D183 HydrophobicContact CG-CB 3.67Å; Q141-D183 PolarHBondContact N-O 3.32Å; Y143-D183 HydrophobicContact CE1-CB 4.37Å; Y143-D183 VanDerWaalsContact OH-CB 3.32Å; Y143-D183 WeakPolarHBondContact OH-CB 3.41Å; Y143-D183 PolarHBondContact OH-OD1 3.24Å; Y143-D183 PolarHBondContact OH-OD2 2.94Å; Y143-D183 VanDerWaalsContact OH-OD2 3.04Å; I144-D183 HydrophobicContact CG1-CB 4.11Å; D183-K310 IonicContact OD2-NZ 2.8Å
184	F	95.5	Very high	82.1	Confident	91 Å²	91	75.6 Å²	75.6	40%	0.399	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	168.7	176.6	60.1	-90	0	0	0	111.3	L134 P135 T138 G139 L140 Q141 L182	L134-F184 HydrophobicContact CD2-CB 4.03Å; L134-F184 HydrophobicContact CD2-CD1 3.82Å; L134-F184 HydrophobicContact CD2-CG 4.06Å; P135-F184 HydrophobicContact CG-CE2 3.9Å; P135-F184 HydrophobicContact CG-CZ 3.97Å; T138-F184 HydrophobicContact CG2-CD2 3.86Å; T138-F184 HydrophobicContact CG2-CE2 4.12Å; G139-F184 CarbonylContact O-C 3.31Å; G139-F184 WeakPolarHBondContact O-CA 3.37Å; G139-F184 WeakPolarHBondContact O-CB 3.45Å; L140-F184 HydrophobicContact CD2-CB 4.48Å; Q141-F184 PolarHBondContact NE2-O 3.49Å; L182-F184 PolarHBondContact O-N 3.2Å
185	R	94.4	Very high	78.8	Confident	28 Å²	28	83.3 Å²	83.3	11%	0.106	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	149.7	175.8	72.7	-150.4	-173.5	-51.9	-3.4	110.3	T138 G139 L140 L373 Y406	T138-R185 CarbonylContact C-O 3.59Å; T138-R185 WeakPolarHBondContact CA-O 3.37Å; T138-R185 VanDerWaalsContact CB-O 3.31Å; T138-R185 WeakPolarHBondContact CB-O 3.34Å; G139-R185 PolarHBondContact N-O 3.19Å; G139-R185 PolarHBondContact O-N 3.36Å; G139-R185 PolarHBondContact O-NH1 2.91Å; G139-R185 VanDerWaalsContact O-NH1 3.17Å; L140-R185 PolarHBondContact O-NH1 3.07Å; R185-L373 PolarHBondContact NH1-O 2.83Å; R185-L373 PolarHBondContact NH2-O 3.41Å; R185-Y406 PolarHBondContact NE-O 2.75Å; R185-Y406 VanDerWaalsContact NH2-CD2 3.31Å; R185-Y406 PolarHBondContact NH2-O 3.37Å
186	A	93.6	Very high	75.7	Confident	78 Å²	78	88.9 Å²	88.9	65%	0.645	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	141.6	168.6	0	0	0	0	0	110.4
187	I	90.3	Very high	72.3	Confident	25 Å²	25	98.7 Å²	98.7	13%	0.128	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-94	121.3	176.8	-62.3	165.3	0	0	0	107.9	N137 T138 T374 Y406	N137-I187 WeakPolarHBondContact O-CB 3.38Å; N137-I187 PolarHBondContact O-N 3.3Å; T138-I187 VanDerWaalsContact C-CD1 3.5Å; T138-I187 WeakPolarHBondContact O-CD1 3.24Å; I187-T374 WeakPolarHBondContact CD1-O 3.23Å; I187-Y406 HydrophobicContact CG1-CE2 4.28Å; I187-Y406 HydrophobicContact CG2-CE1 4.21Å; I187-Y406 HydrophobicContact CG2-CE2 4.06Å
188	P	86.8	Confident	69.2	Low	61 Å²	61	103.8 Å²	103.8	40%	0.396	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-58	139.7	176.4	-24.8	34.3	0	0	0	112.2	V190 Y406	P188-V190 PolarHBondContact O-N 3.15Å; P188-Y406 VanDerWaalsContact CD-CD1 3.46Å; P188-Y406 HydrophobicContact CG-CD1 3.85Å; P188-Y406 HydrophobicContact CG-CG 4.14Å
189	P	77.7	Confident	66	Low	105 Å²	105	105.3 Å²	105.3	68%	0.682	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-65.3	135	176.8	27.2	-34.4	0	0	0	110.8	N191 S192	P189-N191 PolarHBondContact O-N 3.21Å; P189-S192 PolarHBondContact O-OG 3.41Å
190	V	66.7	Low	62.9	Low	125 Å²	125	105.6 Å²	105.6	76%	0.758	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-11.7	-172.4	-176.6	0	0	0	0	114.3	P188	P188-V190 PolarHBondContact O-N 3.15Å
191	N	50.3	Low	59.9	Low	151 Å²	151	110 Å²	110	81%	0.807	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	5.3	-169.9	-69.3	-19.4	0	0	0	115.5	P189 K193	P189-N191 PolarHBondContact O-N 3.21Å; N191-K193 PolarHBondContact O-N 3.35Å; N191-K193 VanDerWaalsContact O-N 3.07Å
192	S	38.4	Very low	56.9	Low	82 Å²	82	109.4 Å²	109.4	57%	0.573	59%	0.586	S	S	*	*			trans	-74.2	97	171.8	47.4	0	0	0	0	110.8	P189 S194	P189-S192 PolarHBondContact O-OG 3.41Å; S192-S194 PolarHBondContact O-N 3.12Å
193	K	34.2	Very low	53.8	Low	200 Å²	200	119.2 Å²	119.2	87%	0.87	62%	0.621	S	S	*	*			trans	-66	71.8	166.5	-70.7	-176.9	178.4	178	0	111	N191 N195	N191-K193 PolarHBondContact O-N 3.35Å; N191-K193 VanDerWaalsContact O-N 3.07Å; K193-N195 PolarHBondContact O-N 3.31Å
194	S	37.3	Very low	50.9	Low	85 Å²	85	123.7 Å²	123.7	59%	0.594	64%	0.644	S	S	*	*			trans	-77.7	107.8	166.8	52.8	0	0	0	0	108.8	S192 F196	S192-S194 PolarHBondContact O-N 3.12Å; S194-F196 PolarHBondContact O-N 3.01Å
195	N	28.7	Very low	47.8	Very low	162 Å²	162	125.6 Å²	125.6	87%	0.866	66%	0.663	S	S	*	*			trans	-71.4	62.4	173	-75.2	-39.5	0	0	0	111	K193 K197	K193-N195 PolarHBondContact O-N 3.31Å; N195-K197 PolarHBondContact O-N 3.36Å
196	F	31	Very low	45.1	Very low	162 Å²	162	127.9 Å²	127.9	71%	0.711	68%	0.683	S	S	*	*			trans	-89.1	90.9	166.5	-92.4	-83.2	0	0	0	109.6	S194 Y198	S194-F196 PolarHBondContact O-N 3.01Å; F196-Y198 VanDerWaalsContact C-N 3.31Å; F196-Y198 HydrophobicContact CB-CD2 4.21Å; F196-Y198 HydrophobicContact CB-CE2 4.03Å; F196-Y198 HydrophobicContact CD1-CE2 4.4Å; F196-Y198 PolarHBondContact O-N 3.23Å
197	K	27.3	Very low	42.4	Very low	208 Å²	208	128.4 Å²	128.4	90%	0.904	67%	0.671	S	S	*	*			trans	-73.1	81	177.7	-169.2	-176.5	-174.9	-175.6	0	109.8	N195 S199	N195-K197 PolarHBondContact O-N 3.36Å; K197-S199 PolarHBondContact O-N 3.29Å
198	Y	30.8	Very low	40	Very low	136 Å²	136	133.2 Å²	133.2	53%	0.533	70%	0.697	S	S	.	*			trans	-69.5	127.9	171.4	-84.3	-83.9	0	0	0	110.5	F196 L200	F196-Y198 VanDerWaalsContact C-N 3.31Å; F196-Y198 HydrophobicContact CB-CD2 4.21Å; F196-Y198 HydrophobicContact CB-CE2 4.03Å; F196-Y198 HydrophobicContact CD1-CE2 4.4Å; F196-Y198 PolarHBondContact O-N 3.23Å; Y198-L200 PolarHBondContact O-N 3.15Å
199	S	29.7	Very low	37.8	Very low	87 Å²	87	133.2 Å²	133.2	61%	0.608	70%	0.699	S	S	*	*			trans	-67.1	124.6	171	-167.8	0	0	0	0	109.2	K197 D201	K197-S199 PolarHBondContact O-N 3.29Å; S199-D201 WeakPolarHBondContact CB-OD2 3.45Å; S199-D201 PolarHBondContact O-N 2.95Å; S199-D201 PolarHBondContact OG-OD2 3.05Å
200	L	29.8	Very low	35.7	Very low	163 Å²	163	134 Å²	134	85%	0.853	70%	0.696	S	S	*	*			trans	-74.8	78.8	161.3	-96.7	87.5	0	0	0	108.3	Y198 N202	Y198-L200 PolarHBondContact O-N 3.15Å; L200-N202 PolarHBondContact O-N 3.27Å
201	D	32.7	Very low	34.5	Very low	125 Å²	125	133 Å²	133	67%	0.668	69%	0.686	S	S	*	*			trans	-85.1	106.1	168.3	-88.9	-65.8	0	0	0	110.3	S199 R203	S199-D201 WeakPolarHBondContact CB-OD2 3.45Å; S199-D201 PolarHBondContact O-N 2.95Å; S199-D201 PolarHBondContact OG-OD2 3.05Å; D201-R203 PolarHBondContact O-N 3.46Å
202	N	31.3	Very low	33.9	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	68%	0.68	S	S	*	*			trans	-52	96.8	-175.2	-61.9	-68.3	0	0	0	114	L200	L200-N202 PolarHBondContact O-N 3.27Å
203	R	29.1	Very low	33.8	Very low	221 Å²	221	136.9 Å²	136.9	83%	0.834	69%	0.687	S	S	*	*			trans	-139.2	2.1	167.5	-66.2	-164.6	-163	-160.4	8.5	117.5	D201 T205	D201-R203 PolarHBondContact O-N 3.46Å; R203-T205 VanDerWaalsContact C-N 3.31Å; R203-T205 PolarHBondContact O-N 3.33Å; R203-T205 VanDerWaalsContact O-N 3.12Å
204	I	33.8	Very low	33.9	Very low	153 Å²	153	135 Å²	135	79%	0.785	68%	0.681	S	S	*	*			trans	-90.2	71.6	173.2	-51.6	-176.9	0	0	0	110.1
205	T	31.1	Very low	33.5	Very low	131 Å²	131	139.2 Å²	139.2	80%	0.804	69%	0.689	S	S	*	*			trans	-126.4	54	172.4	52	0	0	0	0	110.7	R203	R203-T205 VanDerWaalsContact C-N 3.31Å; R203-T205 PolarHBondContact O-N 3.33Å; R203-T205 VanDerWaalsContact O-N 3.12Å
206	S	35.8	Very low	33.6	Very low	75 Å²	75	136.6 Å²	136.6	52%	0.524	68%	0.681	S	S	.	*			trans	-153.8	-7.4	176.6	68.8	0	0	0	0	118.3	D208 S209 L210	S206-D208 VanDerWaalsContact C-N 3.3Å; S206-D208 PolarHBondContact O-N 3.25Å; S206-S209 WeakPolarHBondContact O-CA 3.2Å; S206-S209 VanDerWaalsContact O-CB 3.24Å; S206-S209 WeakPolarHBondContact O-CB 3.4Å; S206-S209 PolarHBondContact O-N 2.87Å; S206-L210 PolarHBondContact O-N 3.29Å
207	F	38.3	Very low	33.4	Very low	89 Å²	89	136.9 Å²	136.9	39%	0.39	68%	0.682	S	S	.	*	H	α-helix	trans	-66.1	-33.3	-179.4	-146.7	-93.6	0	0	0	112.6	S209 L210 I211	F207-S209 PolarHBondContact O-N 2.78Å; F207-L210 PolarHBondContact O-N 3.47Å; F207-L210 VanDerWaalsContact O-N 3.16Å; F207-I211 HydrophobicContact CD1-CD1 4.07Å; F207-I211 HydrophobicContact CD1-CG1 4.43Å; F207-I211 HydrophobicContact CE1-CD1 4.04Å; F207-I211 HydrophobicContact CE1-CG1 4.39Å; F207-I211 PolarHBondContact O-N 3.04Å
208	D	40.4	Very low	33.5	Very low	127 Å²	127	133 Å²	133	68%	0.679	67%	0.67	S	S	*	*	H	α-helix	trans	-62.2	-24.3	168.1	-85.5	-30.2	0	0	0	113.8	S206 K212	S206-D208 VanDerWaalsContact C-N 3.3Å; S206-D208 PolarHBondContact O-N 3.25Å; D208-K212 WeakPolarHBondContact O-CB 3.44Å; D208-K212 WeakPolarHBondContact O-CD 3.45Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.4Å; D208-K212 PolarHBondContact O-N 3.45Å
209	S	39	Very low	33.4	Very low	61 Å²	61	132.7 Å²	132.7	43%	0.427	67%	0.673	S	S	.	*	H	α-helix	trans	-77.9	-33.8	174.8	-55.6	0	0	0	0	111.4	S206 F207 K212 H213	S206-S209 WeakPolarHBondContact O-CA 3.2Å; S206-S209 VanDerWaalsContact O-CB 3.24Å; S206-S209 WeakPolarHBondContact O-CB 3.4Å; S206-S209 PolarHBondContact O-N 2.87Å; F207-S209 PolarHBondContact O-N 2.78Å; S209-K212 PolarHBondContact O-N 2.8Å; S209-H213 PolarHBondContact O-CD2 3.38Å; S209-H213 PolarHBondContact O-N 2.96Å
210	L	34.8	Very low	33.3	Very low	120 Å²	120	136.3 Å²	136.3	63%	0.628	68%	0.68	S	S	*	*	H	α-helix	trans	-70.9	-39.2	179.1	-145.1	72.8	0	0	0	111.9	S206 F207 H213	S206-L210 PolarHBondContact O-N 3.29Å; F207-L210 PolarHBondContact O-N 3.47Å; F207-L210 VanDerWaalsContact O-N 3.16Å; L210-H213 PolarHBondContact O-N 2.98Å
211	I	41.1	Very low	33.1	Very low	105 Å²	105	135.8 Å²	135.8	54%	0.538	68%	0.677	S	S	.	*	H	α-helix	trans	-73.3	-31.6	176.3	-62	179.9	0	0	0	111.7	F207 H213	F207-I211 HydrophobicContact CD1-CD1 4.07Å; F207-I211 HydrophobicContact CD1-CG1 4.43Å; F207-I211 HydrophobicContact CE1-CD1 4.04Å; F207-I211 HydrophobicContact CE1-CG1 4.39Å; F207-I211 PolarHBondContact O-N 3.04Å; I211-H213 VanDerWaalsContact C-N 3.28Å; I211-H213 PolarHBondContact O-N 3.44Å
212	K	38.6	Very low	32.8	Very low	156 Å²	156	137.7 Å²	137.7	68%	0.678	68%	0.682	S	S	*	*	H	α-helix	trans	-67.6	-24.6	173.3	-81.9	173.9	-179	167	0	113.8	D208 S209	D208-K212 WeakPolarHBondContact O-CB 3.44Å; D208-K212 WeakPolarHBondContact O-CD 3.45Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.4Å; D208-K212 PolarHBondContact O-N 3.45Å; S209-K212 PolarHBondContact O-N 2.8Å
213	H	35.8	Very low	32.6	Very low	159 Å²	159	137.3 Å²	137.3	74%	0.736	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	1.7	-178.8	-74.8	-51	0	0	0	115.6	S209 L210 I211	S209-H213 PolarHBondContact O-CD2 3.38Å; S209-H213 PolarHBondContact O-N 2.96Å; L210-H213 PolarHBondContact O-N 2.98Å; I211-H213 VanDerWaalsContact C-N 3.28Å; I211-H213 PolarHBondContact O-N 3.44Å
214	Q	36.7	Very low	32.6	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	15.4	168	-74.9	-167.1	-6.9	0	0	114.5
215	K	29	Very low	32.4	Very low	174 Å²	174	133.9 Å²	133.9	76%	0.757	67%	0.673	S	S	*	*	S	Bend	trans	-63.5	131	156.3	-90.9	-174.5	175.7	-179.9	0	108.3	K217	K215-K217 PolarHBondContact O-N 3.11Å; K215-K217 VanDerWaalsContact O-N 3.09Å
216	P	30	Very low	32.3	Very low	107 Å²	107	133.6 Å²	133.6	70%	0.695	67%	0.667	S	S	*	*			trans	-58.8	122.5	167.3	25.6	-32.1	0	0	0	107.6	I218	P216-I218 VanDerWaalsContact C-N 3.25Å; P216-I218 PolarHBondContact O-N 2.91Å
217	K	27.1	Very low	32.1	Very low	169 Å²	169	135 Å²	135	74%	0.735	68%	0.677	S	S	*	*			trans	-58.5	98.1	159.5	-97.9	179.6	154.6	-159.9	0	106.4	K215 E219	K215-K217 PolarHBondContact O-N 3.11Å; K215-K217 VanDerWaalsContact O-N 3.09Å; K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 HydrophobicContact CD-CG 4.24Å; K217-E219 WeakPolarHBondContact CD-OE1 3.43Å; K217-E219 WeakPolarHBondContact CE-OE1 3.38Å; K217-E219 HydrophobicContact CG-CG 4.49Å; K217-E219 IonicContact NZ-OE1 2.65Å; K217-E219 PolarHBondContact NZ-OE1 3.38Å; K217-E219 PolarHBondContact O-N 2.96Å
218	I	28.1	Very low	31.7	Very low	127 Å²	127	136 Å²	136	65%	0.651	69%	0.693	S	S	*	*			trans	-72.3	78.7	152.3	-56.9	176.8	0	0	0	104.1	P216 H220	P216-I218 VanDerWaalsContact C-N 3.25Å; P216-I218 PolarHBondContact O-N 2.91Å; I218-H220 PolarHBondContact O-N 3.21Å; I218-H220 VanDerWaalsContact O-N 3.09Å
219	E	29.2	Very low	31.2	Very low	129 Å²	129	138.2 Å²	138.2	60%	0.603	70%	0.697	S	S	*	*			trans	-62.3	111.8	161.4	-88	171.6	179.4	0	0	105.6	K217 I221	K217-E219 HydrophobicContact CB-CG 4.26Å; K217-E219 HydrophobicContact CD-CG 4.24Å; K217-E219 WeakPolarHBondContact CD-OE1 3.43Å; K217-E219 WeakPolarHBondContact CE-OE1 3.38Å; K217-E219 HydrophobicContact CG-CG 4.49Å; K217-E219 IonicContact NZ-OE1 2.65Å; K217-E219 PolarHBondContact NZ-OE1 3.38Å; K217-E219 PolarHBondContact O-N 2.96Å; E219-I221 PolarHBondContact O-N 2.91Å
220	H	27.2	Very low	30.9	Very low	163 Å²	163	141 Å²	141	76%	0.755	71%	0.707	S	S	*	*			trans	-54.6	116	165.2	-81.2	-102.6	0	0	0	106.3	I218 E222	I218-H220 PolarHBondContact O-N 3.21Å; I218-H220 VanDerWaalsContact O-N 3.09Å; H220-E222 PolarHBondContact O-N 3.28Å
221	I	26.9	Very low	31	Very low	151 Å²	151	142.6 Å²	142.6	77%	0.774	71%	0.711	S	S	*	*			trans	-65.7	93.9	166	-63.3	174.8	0	0	0	105.2	E219 L223	E219-I221 PolarHBondContact O-N 2.91Å; I221-L223 PolarHBondContact O-N 3.37Å
222	E	26	Very low	30.7	Very low	166 Å²	166	139.7 Å²	139.7	78%	0.776	70%	0.7	S	S	*	*			trans	-62.4	107.4	165.8	-73.2	-172.2	143.6	0	0	106.8	H220 H224	H220-E222 PolarHBondContact O-N 3.28Å; E222-H224 VanDerWaalsContact C-N 3.27Å; E222-H224 PolarHBondContact O-N 2.94Å
223	L	27.7	Very low	30.5	Very low	142 Å²	142	134.7 Å²	134.7	74%	0.743	68%	0.681	S	S	*	*			trans	-67.3	92.4	168.6	-75.9	163.6	0	0	0	107.7	I221 N225	I221-L223 PolarHBondContact O-N 3.37Å; L223-N225 PolarHBondContact O-N 2.79Å
224	H	29	Very low	30.4	Very low	157 Å²	157	129.5 Å²	129.5	73%	0.727	66%	0.66	S	S	*	*			trans	-61.3	85.2	158.5	-104.1	-73.6	0	0	0	108.6	E222 D226	E222-H224 VanDerWaalsContact C-N 3.27Å; E222-H224 PolarHBondContact O-N 2.94Å; H224-D226 IonicContact ND1-OD2 3.42Å; H224-D226 PolarHBondContact ND1-OD2 3.25Å
225	N	28.4	Very low	30.2	Very low	145 Å²	145	131.5 Å²	131.5	78%	0.775	66%	0.661	S	S	*	*			trans	-96.5	74.4	160.8	-85.9	-1.8	0	0	0	108.1	L223	L223-N225 PolarHBondContact O-N 2.79Å
226	D	30.4	Very low	30.3	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	66%	0.66	S	S	*	*			trans	-74	142.3	155	-88.6	-59.9	0	0	0	109.5	H224	H224-D226 IonicContact ND1-OD2 3.42Å; H224-D226 PolarHBondContact ND1-OD2 3.25Å
227	S	30.7	Very low	30.5	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	66%	0.661	S	S	*	*	S	Bend	trans	47.8	93.2	170.3	63.4	0	0	0	0	117.8
228	C	29.2	Very low	30.7	Very low	110 Å²	110	126.5 Å²	126.5	74%	0.743	66%	0.663	S	S	*	*				174.4	131	97.6	-88.3	0	0	0	0	114.5
229	F	30.6	Very low	30.7	Very low	173 Å²	173	126 Å²	126	76%	0.759	67%	0.667	S	S	*	*			trans	61	98.1	150.3	-76.5	-97.6	0	0	0	120.4
230	N	33.2	Very low	30.8	Very low	120 Å²	120	126.1 Å²	126.1	64%	0.642	68%	0.676	S	S	*	*				73.1	113.8	120.6	-67.4	3.3	0	0	0	121.1
231	H	36.6	Very low	30.7	Very low	154 Å²	154	123.5 Å²	123.5	71%	0.713	67%	0.672	S	S	*	*			trans	62	127	133.1	-70.2	-83.9	0	0	0	119
232	S	34.6	Very low	30.8	Very low	43 Å²	43	123 Å²	123	30%	0.301	68%	0.676	S	S	.	*			cis	178.1	169.8	6.4	33.4	0	0	0	0	114	T264 K265	S232-T264 WeakPolarHBondContact CB-O 3.27Å; S232-T264 PolarHBondContact OG-O 2.85Å; S232-K265 WeakPolarHBondContact O-CG 3.1Å; S232-K265 WeakPolarHBondContact OG-CA 3.23Å; S232-K265 PolarHBondContact OG-N 3.2Å
233	D	34.3	Very low	30.9	Very low	51 Å²	51	120.1 Å²	120.1	27%	0.273	67%	0.67	S	S	.	*			trans	73.6	149.6	139.9	-117.5	51.1	0	0	0	127.5	R263 T264 K265	D233-R263 WeakPolarHBondContact OD1-CA 3.38Å; D233-R263 WeakPolarHBondContact OD1-CB 3.49Å; D233-R263 WeakPolarHBondContact OD1-CG 3.28Å; D233-T264 VanDerWaalsContact CG-N 3.33Å; D233-T264 WeakPolarHBondContact OD1-CA 3.45Å; D233-T264 PolarHBondContact OD1-N 3.42Å; D233-T264 WeakPolarHBondContact OD2-CA 3.49Å; D233-K265 HydrophobicContact CB-CB 3.49Å; D233-K265 VanDerWaalsContact CB-CB 3.49Å; D233-K265 HydrophobicContact CB-CD 4.14Å; D233-K265 HydrophobicContact CB-CG 3.4Å; D233-K265 VanDerWaalsContact O-CD 3.28Å; D233-K265 WeakPolarHBondContact O-CD 3.36Å; D233-K265 WeakPolarHBondContact O-CE 3.25Å; D233-K265 PolarHBondContact O-NZ 3.4Å
234	T	34.1	Very low	31	Very low	50 Å²	50	121.5 Å²	121.5	31%	0.307	68%	0.676	S	S	.	*			trans	30.4	151.3	143.2	54.7	0	0	0	0	124.1	R263 K265	T234-R263 HydrophobicContact CG2-CG 4.3Å; T234-R263 VanDerWaalsContact CG2-CZ 3.48Å; T234-R263 VanDerWaalsContact CG2-NE 3.26Å; T234-K265 PolarHBondContact O-NZ 3.39Å
235	R	31.8	Very low	30.9	Very low	202 Å²	202	118.9 Å²	118.9	76%	0.762	67%	0.671	S	S	*	*			cis	-159.2	131.3	13.3	-128.8	169.9	-179.7	172.2	-0.3	112.2
236	S	32	Very low	31.1	Very low	104 Å²	104	118.3 Å²	118.3	73%	0.727	67%	0.673	S	S	*	*			trans	42.5	126.3	130.4	65.5	0	0	0	0	125
237	A	33.5	Very low	30.9	Very low	87 Å²	87	120 Å²	120	72%	0.719	68%	0.677	S	S	*	*				-168.6	114.3	125.4	0	0	0	0	0	111.3
238	I	31.5	Very low	30.9	Very low	153 Å²	153	122.2 Å²	122.2	79%	0.785	69%	0.686	S	S	*	*				75.9	98.1	110.4	-62.6	167.2	0	0	0	114.2
239	T	28.4	Very low	30.9	Very low	117 Å²	117	123 Å²	123	72%	0.718	69%	0.688	S	S	*	*				71.6	122.5	98.3	-41.4	0	0	0	0	112.6
240	T	29.9	Very low	30.8	Very low	131 Å²	131	120.4 Å²	120.4	80%	0.804	69%	0.69	S	S	*	*				-161.6	146.6	68.6	-49.7	0	0	0	0	113.3
241	T	26	Very low	30.7	Very low	108 Å²	108	119.9 Å²	119.9	66%	0.663	70%	0.696	S	S	*	*			trans	-89.1	145.9	-179.7	-45.4	0	0	0	0	112.7	T243	T241-T243 HydrophobicContact CG2-CG2 4.41Å
242	T	29.5	Very low	30.6	Very low	141 Å²	141	117.6 Å²	117.6	87%	0.865	70%	0.697	S	S	*	*			trans	-144.9	116.5	139.7	-41.2	0	0	0	0	110.9
243	T	27.3	Very low	30.5	Very low	105 Å²	105	121.6 Å²	121.6	64%	0.644	72%	0.72	S	S	*	*			trans	-100.6	146.4	172.1	37	0	0	0	0	110.7	T241	T241-T243 HydrophobicContact CG2-CG2 4.41Å
244	I	30.3	Very low	30.6	Very low	171 Å²	171	128.6 Å²	128.6	88%	0.877	75%	0.748	S	S	*	*			trans	-131.1	128.8	149.9	-61.4	-176.6	0	0	0	108.1
245	T	27.8	Very low	30.9	Very low	102 Å²	102	132.1 Å²	132.1	63%	0.626	77%	0.772	S	S	*	*			trans	-132	140.8	-174.8	44.8	0	0	0	0	109.8
246	T	31.4	Very low	31	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	77%	0.771	S	S	*	*			trans	-149.4	97.6	154.7	49.2	0	0	0	0	106.5
247	E	27.1	Very low	31	Very low	160 Å²	160	128 Å²	128	75%	0.748	77%	0.774	S	S	*	*				77.3	113.4	76.7	-76	-166.1	174.6	0	0	114.5
248	T	30.6	Very low	31.1	Very low	151 Å²	151	132.5 Å²	132.5	93%	0.926	78%	0.777	S	S	*	*			trans	-151.5	118	136.7	-31.3	0	0	0	0	108.1
249	T	28.7	Very low	31.2	Very low	128 Å²	128	130.3 Å²	130.3	79%	0.785	78%	0.775	S	S	*	*			trans	-113.3	155	-173.3	45.8	0	0	0	0	111.6
250	C	29	Very low	31.6	Very low	118 Å²	118	131 Å²	131	80%	0.797	78%	0.779	S	S	*	*			trans	-151	121.8	155.4	-141.4	0	0	0	0	110.2
251	S	31.5	Very low	31.8	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	78%	0.779	S	S	*	*			trans	29.8	136.2	151.9	52.1	0	0	0	0	120.8
252	S	33.5	Very low	32.3	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	79%	0.79	S	S	*	*			cis	-169	144.6	29.3	41.5	0	0	0	0	115.6
253	V	33.2	Very low	32.5	Very low	127 Å²	127	133.7 Å²	133.7	77%	0.77	78%	0.777	S	S	*	*			trans	64.1	94.1	139.3	-174.6	0	0	0	0	121.9
254	F	34.9	Very low	32.8	Very low	198 Å²	198	133.8 Å²	133.8	87%	0.868	78%	0.778	S	S	*	*				53	155.9	117.9	-74.3	-63.3	0	0	0	124.8
255	P	41.3	Very low	33.1	Very low	123 Å²	123	130.4 Å²	130.4	80%	0.799	76%	0.757	S	S	*	*			trans	-148.9	-161	-132.3	42.1	-16.6	0	0	0	116.7
256	G	33.3	Very low	33.6	Very low	72 Å²	72	130 Å²	130	74%	0.742	76%	0.756	S	S	*	*			trans	141.4	158.4	150.2	0	0	0	0	0	116.3
257	N	33.1	Very low	33.7	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	75%	0.752	S	S	*	*			cis	-170.4	163.5	-19.8	-156	-9.6	0	0	0	110.6
258	K	34.8	Very low	34.2	Very low	180 Å²	180	128.7 Å²	128.7	78%	0.783	76%	0.755	S	S	*	*			trans	77.3	120.4	170	-50.9	168.9	-175.7	178.3	0	116.6
259	S	34.1	Very low	34.2	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	75%	0.749	S	S	*	*				78.6	132.5	52	78.7	0	0	0	0	114.3
260	V	36.3	Very low	34.2	Very low	131 Å²	131	125.3 Å²	125.3	79%	0.794	75%	0.753	S	S	*	*				-163.8	166.8	72.8	164.4	0	0	0	0	113.5
261	N	33.7	Very low	34.4	Very low	150 Å²	150	125 Å²	125	80%	0.802	75%	0.752	S	S	*	*			trans	-82.5	166.1	-168.2	-50.6	-66.7	0	0	0	119.6
262	S	37	Very low	34.3	Very low	128 Å²	128	131 Å²	131	90%	0.895	76%	0.759	S	S	*	*				174.5	178	111.4	51.3	0	0	0	0	115.3
263	R	33.6	Very low	34.3	Very low	160 Å²	160	135.2 Å²	135.2	60%	0.604	77%	0.766	S	S	*	*			trans	-131.9	160.6	-157.4	-80.7	173.2	167.8	170	-3.1	114.2	D233 T234	D233-R263 WeakPolarHBondContact OD1-CA 3.38Å; D233-R263 WeakPolarHBondContact OD1-CB 3.49Å; D233-R263 WeakPolarHBondContact OD1-CG 3.28Å; T234-R263 HydrophobicContact CG2-CG 4.3Å; T234-R263 VanDerWaalsContact CG2-CZ 3.48Å; T234-R263 VanDerWaalsContact CG2-NE 3.26Å
264	T	34.8	Very low	34.2	Very low	107 Å²	107	136.5 Å²	136.5	66%	0.656	77%	0.769	S	S	*	*			trans	168.2	137.8	135.8	34.3	0	0	0	0	116.2	S232 D233	S232-T264 WeakPolarHBondContact CB-O 3.27Å; S232-T264 PolarHBondContact OG-O 2.85Å; D233-T264 VanDerWaalsContact CG-N 3.33Å; D233-T264 WeakPolarHBondContact OD1-CA 3.45Å; D233-T264 PolarHBondContact OD1-N 3.42Å; D233-T264 WeakPolarHBondContact OD2-CA 3.49Å
265	K	35.9	Very low	34	Very low	99 Å²	99	132.8 Å²	132.8	43%	0.43	77%	0.768	S	S	.	*			trans	-78.7	-171.2	-172.5	-126.5	176.7	171.9	147.9	0	115.5	S232 D233 T234	S232-K265 WeakPolarHBondContact O-CG 3.1Å; S232-K265 WeakPolarHBondContact OG-CA 3.23Å; S232-K265 PolarHBondContact OG-N 3.2Å; D233-K265 HydrophobicContact CB-CB 3.49Å; D233-K265 VanDerWaalsContact CB-CB 3.49Å; D233-K265 HydrophobicContact CB-CD 4.14Å; D233-K265 HydrophobicContact CB-CG 3.4Å; D233-K265 VanDerWaalsContact O-CD 3.28Å; D233-K265 WeakPolarHBondContact O-CD 3.36Å; D233-K265 WeakPolarHBondContact O-CE 3.25Å; D233-K265 PolarHBondContact O-NZ 3.4Å; T234-K265 PolarHBondContact O-NZ 3.39Å
266	P	37.8	Very low	33.6	Very low	94 Å²	94	131.2 Å²	131.2	61%	0.61	77%	0.765	S	S	*	*			cis	-140.2	162.2	-26	37.7	-18.8	0	0	0	118.6
267	L	32.7	Very low	33.4	Very low	141 Å²	141	135.2 Å²	135.2	74%	0.738	77%	0.768	S	S	*	*			trans	20.6	171.3	134.2	-68.5	165.5	0	0	0	123.9
268	P	39.2	Very low	33.3	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	77%	0.77	S	S	*	*			cis	-138.1	-179.7	-22.5	35.6	-15.6	0	0	0	116.1
269	G	30.9	Very low	32.8	Very low	77 Å²	77	135.6 Å²	135.6	79%	0.794	77%	0.772	S	S	*	*			trans	179.6	142.4	162.4	0	0	0	0	0	115.4
270	C	28.5	Very low	32.5	Very low	131 Å²	131	137.1 Å²	137.1	89%	0.885	78%	0.782	S	S	*	*			trans	-115.3	147.2	-177.2	-60.1	0	0	0	0	113.1
271	S	32.9	Very low	32	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	78%	0.775	S	S	*	*				161.7	126.6	116.3	63.3	0	0	0	0	115.8
272	R	28.5	Very low	31.7	Very low	235 Å²	235	134.9 Å²	134.9	89%	0.887	77%	0.769	S	S	*	*			trans	18.3	135.3	147.8	-62.2	177.7	176.1	166.2	-2.4	121.6
273	H	34.4	Very low	31.4	Very low	196 Å²	196	138.2 Å²	138.2	91%	0.907	77%	0.768	S	S	*	*			trans	-157.3	138.5	135.3	-105.1	-77.9	0	0	0	111.5
274	D	30.2	Very low	31	Very low	153 Å²	153	136.4 Å²	136.4	82%	0.818	77%	0.774	S	S	*	*			trans	-91.1	153.3	171.4	-65.4	-65.3	0	0	0	111.5
275	S	32.2	Very low	30.7	Very low	121 Å²	121	137.7 Å²	137.7	85%	0.846	78%	0.777	S	S	*	*			trans	179.8	149.7	145.3	-85.6	0	0	0	0	114.4
276	A	31.8	Very low	30.5	Very low	90 Å²	90	141.4 Å²	141.4	74%	0.744	80%	0.796	S	S	*	*			trans	70.7	145.9	150.7	0	0	0	0	0	119.3
277	L	28.5	Very low	29.9	Very low	156 Å²	156	143 Å²	143	82%	0.817	81%	0.809	S	S	*	*			cis	-165.4	178.4	-5.4	-116.8	172.4	0	0	0	111.5
278	L	30.7	Very low	29.9	Very low	158 Å²	158	141 Å²	141	83%	0.827	81%	0.807	S	S	*	*			trans	91.9	104	162.5	-100.7	73.3	0	0	0	120.1
279	E	25.5	Very low	29.3	Very low	179 Å²	179	143.3 Å²	143.3	84%	0.836	81%	0.812	S	S	*	*			trans	-87.2	159.2	156.9	-56.9	174.7	118.2	0	0	111
280	C	27.1	Very low	29.3	Very low	139 Å²	139	146.8 Å²	146.8	94%	0.939	81%	0.811	S	S	*	*			trans	-153.6	148.6	140.3	-152	0	0	0	0	110.3
281	N	26.2	Very low	29.3	Very low	123 Å²	123	148.9 Å²	148.9	66%	0.658	81%	0.808	S	S	*	*			trans	-141.4	151.3	-152.6	-154.5	-11.8	0	0	0	113
282	T	28.1	Very low	29.3	Very low	110 Å²	110	149.1 Å²	149.1	68%	0.675	81%	0.807	S	S	*	*			trans	68.6	141.1	170	78.6	0	0	0	0	116.5
283	K	29.4	Very low	29.3	Very low	199 Å²	199	149.7 Å²	149.7	87%	0.865	81%	0.809	S	S	*	*			cis	-158.1	168.2	41	-74.1	-179.8	178.6	171.6	0	112.8
284	T	25.6	Very low	29.2	Very low	121 Å²	121	147.6 Å²	147.6	74%	0.742	80%	0.803	S	S	*	*			trans	-79.7	147.4	177.9	51.9	0	0	0	0	114
285	N	27.9	Very low	29.1	Very low	134 Å²	134	145.7 Å²	145.7	72%	0.717	80%	0.799	S	S	*	*				172.3	157.8	119.2	-87.7	-4.8	0	0	0	114.9
286	H	31.8	Very low	28.9	Very low	177 Å²	177	145.6 Å²	145.6	82%	0.819	80%	0.798	S	S	*	*			trans	77.2	110	164.7	-65.7	-60.7	0	0	0	120.7
287	S	26.3	Very low	29	Very low	127 Å²	127	148.6 Å²	148.6	89%	0.888	80%	0.801	S	S	*	*			trans	-62.5	137.4	162.8	-43.6	0	0	0	0	112.8
288	S	31.8	Very low	29	Very low	100 Å²	100	150.5 Å²	150.5	70%	0.699	81%	0.806	S	S	*	*			trans	-148.5	139.6	150	54.9	0	0	0	0	109.2	I290	S288-I290 PolarHBondContact O-N 3.37Å
289	N	26.9	Very low	29.3	Very low	172 Å²	172	149.2 Å²	149.2	92%	0.92	80%	0.799	S	S	*	*			trans	-67.1	117.5	-179.7	-84.1	-19.9	0	0	0	110.2
290	I	31.1	Very low	29.7	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	80%	0.797	S	S	*	*			trans	-105.1	97.8	170.2	-58.7	177.6	0	0	0	107.8	S288	S288-I290 PolarHBondContact O-N 3.37Å
291	Q	29.7	Very low	30.1	Very low	175 Å²	175	148.3 Å²	148.3	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.6	133.9	160.9	-76.4	-176.9	-24.2	0	0	108.9	R293	Q291-R293 PolarHBondContact O-N 3.05Å
292	P	32.4	Very low	30.6	Very low	115 Å²	115	149.1 Å²	149.1	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.6	117.9	175.6	28.9	-32.3	0	0	0	110.2	I294	P292-I294 PolarHBondContact O-N 2.94Å
293	R	27.4	Very low	31.3	Very low	247 Å²	247	149.2 Å²	149.2	93%	0.932	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.1	118.8	167.7	-72.2	-172.7	-177	-166	1.1	109.3	Q291	Q291-R293 PolarHBondContact O-N 3.05Å
294	I	32.3	Very low	31.5	Very low	153 Å²	153	144.4 Å²	144.4	79%	0.785	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-73.5	137.7	168	-58.2	175.6	0	0	0	108	P292 S296	P292-I294 PolarHBondContact O-N 2.94Å; I294-S296 PolarHBondContact O-N 3.34Å
295	P	29.6	Very low	32.5	Very low	113 Å²	113	143 Å²	143	73%	0.734	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.4	126.4	174.1	-20.8	32.8	0	0	0	111	L297	P295-L297 PolarHBondContact O-N 3.07Å
296	S	28	Very low	33.1	Very low	118 Å²	118	143.3 Å²	143.3	83%	0.825	77%	0.767	S	S	*	*			trans	-70.3	95.6	174.8	40.5	0	0	0	0	110.7	I294 Q298	I294-S296 PolarHBondContact O-N 3.34Å; S296-Q298 PolarHBondContact O-N 2.99Å
297	L	33.9	Very low	34.1	Very low	153 Å²	153	137.7 Å²	137.7	80%	0.801	75%	0.745	S	S	*	*			trans	-64.5	111.9	163	-81.5	160.6	0	0	0	108.5	P295 L299	P295-L297 PolarHBondContact O-N 3.07Å; L297-L299 PolarHBondContact O-N 3.38Å; L297-L299 VanDerWaalsContact O-N 3.14Å
298	Q	28.2	Very low	35.3	Very low	197 Å²	197	138.3 Å²	138.3	92%	0.921	73%	0.733	S	S	*	*			trans	-66.4	109.6	166.2	-71.3	-179.3	-52.6	0	0	108	S296	S296-Q298 PolarHBondContact O-N 2.99Å
299	L	36	Very low	36.6	Very low	130 Å²	130	141.1 Å²	141.1	68%	0.681	74%	0.735	S	S	*	*			trans	-97.7	134.1	169.5	-71.7	165.4	0	0	0	107.6	L297 D301 F440	L297-L299 PolarHBondContact O-N 3.38Å; L297-L299 VanDerWaalsContact O-N 3.14Å; L299-D301 PolarHBondContact O-N 3.39Å; L299-F440 HydrophobicContact CD1-CE2 4.47Å
300	D	33.3	Very low	38.8	Very low	148 Å²	148	137 Å²	137	79%	0.791	71%	0.709	S	S	*	*			trans	-56.6	136.3	-175.5	-66.2	-49.7	0	0	0	112.1	N302	D300-N302 PolarHBondContact O-N 2.97Å
301	D	36	Very low	41.4	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	8.5	-167	-65.8	-56.5	0	0	0	117	L299	L299-D301 PolarHBondContact O-N 3.39Å
302	N	37.8	Very low	44.2	Very low	140 Å²	140	126.9 Å²	126.9	75%	0.749	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	12	-171.1	-71.9	-58	0	0	0	114.9	D300	D300-N302 PolarHBondContact O-N 2.97Å
303	H	41.9	Very low	47	Very low	111 Å²	111	123 Å²	123	51%	0.514	63%	0.631	S	S	.	*			trans	-137	26.7	-179.3	-103.8	57.4	0	0	0	115.1	I305	H303-I305 PolarHBondContact O-N 2.8Å
304	C	32.7	Very low	50	Low	99 Å²	99	117.3 Å²	117.3	67%	0.669	62%	0.615	S	S	*	*			trans	-70.5	88.2	174.9	-60.8	0	0	0	0	111.9	N306	C304-N306 PolarHBondContact O-N 3.46Å
305	I	46.7	Very low	52.9	Low	91 Å²	91	114.9 Å²	114.9	47%	0.467	60%	0.6	S	S	.	*			trans	-60.7	118.3	140.4	-61.5	177.5	0	0	0	104.6	H303 V307 T408	H303-I305 PolarHBondContact O-N 2.8Å; I305-V307 VanDerWaalsContact C-N 3.27Å; I305-V307 PolarHBondContact O-N 2.91Å; I305-T408 HydrophobicContact CD1-CG2 4.17Å
306	N	41	Very low	56	Low	141 Å²	141	109.9 Å²	109.9	75%	0.754	57%	0.567	S	S	*	*			trans	-62.8	95.5	171.8	-77.1	-13.6	0	0	0	107.9	C304 E308	C304-N306 PolarHBondContact O-N 3.46Å; N306-E308 PolarHBondContact O-N 3.34Å
307	V	52.6	Low	59.3	Low	59 Å²	59	106.8 Å²	106.8	36%	0.358	54%	0.539	S	S	.	.			trans	-73.2	80.9	166.1	-171.8	0	0	0	0	105.8	I305 E309 F440 Y441	I305-V307 VanDerWaalsContact C-N 3.27Å; I305-V307 PolarHBondContact O-N 2.91Å; V307-E309 PolarHBondContact O-N 3.4Å; V307-F440 HydrophobicContact CG2-CE1 3.75Å; V307-F440 HydrophobicContact CG2-CZ 4.01Å; V307-Y441 HydrophobicContact CG1-CD1 4.17Å; V307-Y441 HydrophobicContact CG1-CE1 3.93Å; V307-Y441 HydrophobicContact CG2-CE1 4.47Å
308	E	52.8	Low	62.4	Low	139 Å²	139	99.5 Å²	99.5	65%	0.65	50%	0.501	S	S	*	.			trans	-46.1	135.5	154.2	-67.5	-178.6	162.1	0	0	107	N306 K310	N306-E308 PolarHBondContact O-N 3.34Å; E308-K310 HydrophobicContact CB-CG 4.28Å; E308-K310 PolarHBondContact O-N 3.36Å; E308-K310 WeakPolarHBondContact OE2-CE 3.34Å
309	E	58	Low	65.7	Low	159 Å²	159	90.6 Å²	90.6	74%	0.743	46%	0.459	S	S	*	.			trans	-69.5	66.1	-176.2	-65.5	-171.9	164.9	0	0	111.5	V307 Y311	V307-E309 PolarHBondContact O-N 3.4Å; E309-Y311 HydrophobicContact CB-CE2 4.19Å; E309-Y311 WeakPolarHBondContact O-CD2 3.48Å; E309-Y311 PolarHBondContact O-N 2.79Å
310	K	73.2	Confident	68.6	Low	85 Å²	85	84.4 Å²	84.4	37%	0.37	43%	0.427	S	S	.	.			trans	-85.3	105.2	176	-69.7	-165.9	171.3	-162.7	0	108.7	Y143 D183 E308	Y143-K310 HydrophobicContact CD1-CB 4.28Å; Y143-K310 HydrophobicContact CD2-CB 4.41Å; Y143-K310 WeakPolarHBondContact CD2-O 3.1Å; Y143-K310 HydrophobicContact CE1-CB 3.91Å; Y143-K310 HydrophobicContact CE1-CD 4.02Å; Y143-K310 HydrophobicContact CE2-CB 4.04Å; D183-K310 IonicContact OD2-NZ 2.8Å; E308-K310 HydrophobicContact CB-CG 4.28Å; E308-K310 PolarHBondContact O-N 3.36Å; E308-K310 WeakPolarHBondContact OE2-CE 3.34Å
311	Y	84.7	Confident	71.4	Confident	108 Å²	108	79 Å²	79	42%	0.424	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-74.6	145	168.5	-68.6	-101.5	0	0	0	109	Y143 E309 P442 Y444	Y143-Y311 WeakPolarHBondContact CE2-O 3.45Å; E309-Y311 HydrophobicContact CB-CE2 4.19Å; E309-Y311 WeakPolarHBondContact O-CD2 3.48Å; E309-Y311 PolarHBondContact O-N 2.79Å; Y311-P442 HydrophobicContact CD1-CB 4.21Å; Y311-P442 HydrophobicContact CD1-CG 4.33Å; Y311-P442 HydrophobicContact CE1-CB 3.65Å; Y311-P442 HydrophobicContact CE1-CG 4.01Å; Y311-P442 HydrophobicContact CE2-CG 4.49Å; Y311-Y444 HydrophobicContact CD1-CE2 4.39Å
312	P	89.3	Confident	73.7	Confident	6 Å²	6	73.8 Å²	73.8	4%	0.039	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.9	149.4	166	29.4	-35.7	0	0	0	109.8	Y143 A147 L316 V443 Y444	Y143-P312 HydrophobicContact CD2-CB 4.46Å; A147-P312 HydrophobicContact CB-CB 3.54Å; A147-P312 HydrophobicContact CB-CG 3.75Å; P312-L316 HydrophobicContact CB-CD2 4.03Å; P312-V443 HydrophobicContact CG-CG1 4.44Å; P312-V443 HydrophobicContact CG-CG2 4.19Å; P312-Y444 WeakPolarHBondContact O-CE2 3.34Å
313	P	91.8	Very high	75.9	Confident	35 Å²	35	67.1 Å²	67.1	23%	0.227	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-55.1	142.2	174.5	-24.2	33.2	0	0	0	112	V180 E315 L316	V180-P313 HydrophobicContact CG2-CB 3.55Å; V180-P313 HydrophobicContact CG2-CG 3.78Å; P313-E315 PolarHBondContact O-N 3.25Å; P313-L316 WeakPolarHBondContact O-CB 3.34Å; P313-L316 PolarHBondContact O-N 2.85Å
314	E	90.2	Very high	77.4	Confident	127 Å²	127	61.9 Å²	61.9	59%	0.593	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.5	-179	-70.9	-175.6	-166.3	0	0	112.1	L316 Y444	E314-L316 PolarHBondContact O-N 3.39Å; E314-Y444 HydrophobicContact CG-CD1 4.43Å; E314-Y444 HydrophobicContact CG-CD2 4.23Å; E314-Y444 HydrophobicContact CG-CE1 3.77Å; E314-Y444 HydrophobicContact CG-CE2 3.58Å; E314-Y444 VanDerWaalsContact CG-OH 3.24Å; E314-Y444 WeakPolarHBondContact CG-OH 2.98Å; E314-Y444 WeakPolarHBondContact OE1-CE1 3.44Å; E314-Y444 PolarHBondContact OE1-OH 3.21Å
315	E	93	Very high	79.2	Confident	101 Å²	101	58.2 Å²	58.2	47%	0.472	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.9	177.1	-55.9	80.3	-176.8	0	0	113.2	N178 V180 P313 Q317	N178-E315 HydrophobicContact CB-CB 4.02Å; N178-E315 WeakPolarHBondContact CB-O 3.33Å; N178-E315 PolarHBondContact ND2-O 3.5Å; V180-E315 HydrophobicContact CB-CB 4.25Å; V180-E315 HydrophobicContact CG2-CB 4.29Å; P313-E315 PolarHBondContact O-N 3.25Å; E315-Q317 VanDerWaalsContact C-N 3.26Å; E315-Q317 PolarHBondContact O-N 3.2Å
316	L	95.8	Very high	80.1	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.047	26%	0.262	C	S	.	.			trans	-71.1	76.7	-177.2	-176.8	53.7	0	0	0	111.7	I144 A147 I148 Q151 L176 V180 L182 P312 P313 E314	I144-L316 HydrophobicContact CD1-CD2 4.24Å; I144-L316 HydrophobicContact CG2-CD2 4.08Å; A147-L316 HydrophobicContact CB-CD2 3.96Å; I148-L316 HydrophobicContact CG1-CD1 4.24Å; I148-L316 HydrophobicContact CG1-CD2 4.37Å; Q151-L316 PolarHBondContact NE2-O 3.14Å; L176-L316 HydrophobicContact CD2-CD1 3.85Å; V180-L316 HydrophobicContact CG1-CD1 4.07Å; V180-L316 HydrophobicContact CG2-CB 4.33Å; L182-L316 HydrophobicContact CD2-CD1 3.69Å; L182-L316 HydrophobicContact CD2-CD2 4.42Å; P312-L316 HydrophobicContact CB-CD2 4.03Å; P313-L316 WeakPolarHBondContact O-CB 3.34Å; P313-L316 PolarHBondContact O-N 2.85Å; E314-L316 PolarHBondContact O-N 3.39Å
317	Q	96.7	Very high	81.8	Confident	52 Å²	52	48.2 Å²	48.2	24%	0.243	23%	0.231	C	C	.	.			trans	-109.9	123.1	173.4	-177.9	172	-4.1	0	0	111.1	P100 L176 L177 E315	P100-Q317 PolarHBondContact O-NE2 2.89Å; L176-Q317 CarbonylContact C-O 3.59Å; L176-Q317 WeakPolarHBondContact CA-O 3.49Å; L177-Q317 HydrophobicContact CB-CB 4.11Å; L177-Q317 HydrophobicContact CB-CG 4.21Å; L177-Q317 HydrophobicContact CD2-CG 4.24Å; L177-Q317 VanDerWaalsContact CD2-OE1 3.29Å; L177-Q317 PolarHBondContact N-O 2.88Å; E315-Q317 VanDerWaalsContact C-N 3.26Å; E315-Q317 PolarHBondContact O-N 3.2Å
318	T	97.6	Very high	82.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	153.9	177.7	65.9	0	0	0	0	111.9	G101 I148 Q151 M175 L176	G101-T318 WeakPolarHBondContact CA-O 3.46Å; I148-T318 HydrophobicContact CB-CG2 4.29Å; I148-T318 HydrophobicContact CG1-CG2 4.01Å; I148-T318 HydrophobicContact CG2-CG2 4.17Å; Q151-T318 WeakPolarHBondContact CB-OG1 3.49Å; Q151-T318 PolarHBondContact OE1-OG1 3.1Å; M175-T318 CarbonylContact O-C 3.53Å; M175-T318 WeakPolarHBondContact O-CA 3.46Å; L176-T318 HydrophobicContact CD2-CG2 3.95Å
319	K	97.8	Very high	82.7	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121.3	178.5	-65.9	-71.1	-172.9	162.1	0	109.9	P100 E120 I174 M175 L177	P100-K319 WeakPolarHBondContact O-CD 3.26Å; P100-K319 VanDerWaalsContact O-CE 3.23Å; P100-K319 WeakPolarHBondContact O-CE 3.33Å; P100-K319 PolarHBondContact O-NZ 2.93Å; E120-K319 WeakPolarHBondContact OE1-CE 3.19Å; E120-K319 IonicContact OE1-NZ 3.1Å; E120-K319 PolarHBondContact OE1-NZ 3.39Å; E120-K319 WeakPolarHBondContact OE2-CE 3.26Å; E120-K319 IonicContact OE2-NZ 2.66Å; E120-K319 PolarHBondContact OE2-NZ 2.86Å; I174-K319 WeakPolarHBondContact CA-O 3.46Å; M175-K319 PolarHBondContact N-O 3.39Å; M175-K319 PolarHBondContact O-N 3.34Å; L177-K319 HydrophobicContact CB-CG 4.28Å
320	L	97.2	Very high	82.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130	164.6	-61.5	-172	0	0	0	110	G101 I103 I152 A155 L156 L159 L169 I174 F323	G101-L320 PolarHBondContact O-N 2.66Å; I103-L320 WeakPolarHBondContact CG2-O 3.42Å; I103-L320 PolarHBondContact N-O 2.88Å; I152-L320 HydrophobicContact CG1-CD2 4.34Å; I152-L320 HydrophobicContact CG2-CD2 4.22Å; A155-L320 HydrophobicContact CB-CD1 3.69Å; A155-L320 HydrophobicContact CB-CG 4.09Å; L156-L320 HydrophobicContact CD2-CD1 4.11Å; L156-L320 HydrophobicContact CG-CD1 4.43Å; L159-L320 HydrophobicContact CD1-CD1 4.21Å; L169-L320 HydrophobicContact CD1-CD2 3.64Å; I174-L320 HydrophobicContact CG1-CD2 3.84Å; L320-F323 HydrophobicContact CB-CZ 4.31Å
321	I	92.9	Very high	81.2	Confident	35 Å²	35	50.2 Å²	50.2	18%	0.179	23%	0.233	C	C	.	.			trans	-125	168.7	177.7	63.3	154.2	0	0	0	110.9	I103 H166 N173 M175	I103-I321 HydrophobicContact CB-CG2 3.86Å; I103-I321 HydrophobicContact CD1-CG2 4.21Å; I103-I321 HydrophobicContact CG1-CG2 4.17Å; I103-I321 HydrophobicContact CG2-CB 4.47Å; I103-I321 HydrophobicContact CG2-CG2 4.08Å; H166-I321 PolarHBondContact NE2-O 2.8Å; N173-I321 VanDerWaalsContact C-CG1 3.47Å; N173-I321 HydrophobicContact CB-CG1 4.26Å; N173-I321 VanDerWaalsContact O-CG1 3.29Å; N173-I321 WeakPolarHBondContact O-CG1 3.47Å; N173-I321 PolarHBondContact O-N 3.03Å; M175-I321 HydrophobicContact CG-CD1 3.86Å; M175-I321 HydrophobicContact CG-CG1 4.25Å; M175-I321 HydrophobicContact CG-CG2 4.2Å; M175-I321 HydrophobicContact SD-CD1 3.93Å; M175-I321 HydrophobicContact SD-CG2 4.28Å
322	D	84.9	Confident	79.2	Confident	41 Å²	41	52.5 Å²	52.5	22%	0.219	25%	0.253	C	S	.	.			trans	58	84.2	178.8	-161.1	-11	0	0	0	115.6	H166 G324	H166-D322 PolarHBondContact CE1-O 3.15Å; D322-G324 VanDerWaalsContact C-N 3.32Å; D322-G324 PolarHBondContact OD1-N 3.41Å
323	F	83.6	Confident	76.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.			trans	-90.8	13.1	173.1	-67.8	-94.1	0	0	0	113	I93 L94 I102 I103 L159 H166 L320 L325 A326	I93-F323 HydrophobicContact CB-CB 4.41Å; I93-F323 HydrophobicContact CD1-CB 4.46Å; I93-F323 HydrophobicContact CG2-CB 4.16Å; I93-F323 HydrophobicContact CG2-CD1 3.69Å; I93-F323 HydrophobicContact CG2-CE1 4.3Å; I93-F323 HydrophobicContact CG2-CG 3.95Å; L94-F323 HydrophobicContact CD2-CD2 3.51Å; L94-F323 HydrophobicContact CD2-CE2 3.74Å; L94-F323 HydrophobicContact CD2-CG 4.38Å; L94-F323 HydrophobicContact CG-CD2 4.1Å; I102-F323 HydrophobicContact CG2-CE2 3.75Å; I102-F323 HydrophobicContact CG2-CZ 3.64Å; I103-F323 HydrophobicContact CG2-CE2 4.48Å; L159-F323 HydrophobicContact CD1-CE1 3.75Å; L159-F323 HydrophobicContact CD1-CZ 4.19Å; L159-F323 HydrophobicContact CD2-CE1 3.79Å; L159-F323 HydrophobicContact CD2-CZ 4.47Å; L159-F323 HydrophobicContact CG-CE1 4.44Å; H166-F323 AromaticContact CD2-CE1 3.68Å; L320-F323 HydrophobicContact CB-CZ 4.31Å; F323-L325 PolarHBondContact O-N 3.33Å; F323-A326 HydrophobicContact CB-CB 4.11Å; F323-A326 HydrophobicContact CD1-CB 4.03Å; F323-A326 WeakPolarHBondContact O-CB 3.4Å; F323-A326 PolarHBondContact O-N 3.49Å
324	G	72.2	Confident	74.6	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.01	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.2	-178.4	0	0	0	0	0	113	R86 D322	R86-G324 WeakPolarHBondContact CB-O 3.49Å; R86-G324 WeakPolarHBondContact CG-O 3.29Å; D322-G324 VanDerWaalsContact C-N 3.32Å; D322-G324 PolarHBondContact OD1-N 3.41Å
325	L	71.3	Confident	72.2	Confident	22 Å²	22	62.6 Å²	62.6	12%	0.115	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.7	175.2	-71	-177.4	0	0	0	114.8	H166 R167 D168 F323 C340	H166-L325 CarbonylContact O-C 3.56Å; R167-L325 PolarHBondContact NE-O 3.25Å; R167-L325 PolarHBondContact NH2-O 3.27Å; D168-L325 HydrophobicContact CB-CB 3.96Å; D168-L325 HydrophobicContact CB-CD1 3.72Å; D168-L325 HydrophobicContact CB-CG 4.38Å; F323-L325 PolarHBondContact O-N 3.33Å; L325-C340 HydrophobicContact CD1-CB 4.19Å; L325-C340 HydrophobicContact CD2-CB 3.89Å
326	A	65.2	Low	70	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.			trans	-64.8	167.8	177.8	0	0	0	0	0	112.3	R89 I93 I164 V165 H166 F323	R89-A326 WeakPolarHBondContact CD-O 3.48Å; R89-A326 PolarHBondContact NE-O 3.06Å; I93-A326 HydrophobicContact CD1-CB 3.53Å; I164-A326 HydrophobicContact CG2-CB 4.34Å; V165-A326 CarbonylContact O-C 3.59Å; V165-A326 WeakPolarHBondContact O-CA 3.34Å; V165-A326 VanDerWaalsContact O-CB 3.23Å; V165-A326 WeakPolarHBondContact O-CB 3.22Å; H166-A326 WeakPolarHBondContact O-CA 3.38Å; H166-A326 PolarHBondContact O-N 3.25Å; F323-A326 HydrophobicContact CB-CB 4.11Å; F323-A326 HydrophobicContact CD1-CB 4.03Å; F323-A326 WeakPolarHBondContact O-CB 3.4Å; F323-A326 PolarHBondContact O-N 3.49Å
327	I	76.2	Confident	67.5	Low	22 Å²	22	64.7 Å²	64.7	11%	0.113	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.3	169.1	48.1	172.5	0	0	0	110.9	I164 V165 V329 L336	I164-I327 VanDerWaalsContact CA-O 3.27Å; I164-I327 WeakPolarHBondContact CA-O 3.12Å; V165-I327 HydrophobicContact CB-CG1 4.18Å; V165-I327 PolarHBondContact N-O 3.41Å; V165-I327 PolarHBondContact O-N 2.94Å; I327-V329 HydrophobicContact CD1-CG2 3.99Å; I327-V329 HydrophobicContact CG1-CG2 4.21Å; I327-L336 HydrophobicContact CG2-CD1 3.84Å
328	E	66.1	Low	65.1	Low	90 Å²	90	68 Å²	68	42%	0.421	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.2	162.2	-175.8	-178	-156.7	0	0	107.4	R330	E328-R330 VanDerWaalsContact C-N 3.3Å; E328-R330 HydrophobicContact CG-CG 4.11Å; E328-R330 PolarHBondContact O-N 2.95Å; E328-R330 IonicContact OE2-CZ 3.36Å; E328-R330 IonicContact OE2-NE 2.72Å; E328-R330 PolarHBondContact OE2-NE 3.14Å; E328-R330 IonicContact OE2-NH2 3.62Å; E328-R330 PolarHBondContact OE2-NH2 2.91Å
329	V	58.2	Low	62.9	Low	65 Å²	65	71 Å²	71	39%	0.394	36%	0.364	S	S	.	.			trans	-72.9	86	179.3	-178.4	0	0	0	0	109.1	G163 V165 I327	G163-V329 WeakPolarHBondContact O-CB 3.4Å; G163-V329 WeakPolarHBondContact O-CG2 3.38Å; G163-V329 PolarHBondContact O-N 3.36Å; V165-V329 HydrophobicContact CG2-CG2 3.64Å; I327-V329 HydrophobicContact CD1-CG2 3.99Å; I327-V329 HydrophobicContact CG1-CG2 4.21Å
330	R	54.2	Low	60.5	Low	140 Å²	140	72 Å²	72	53%	0.528	37%	0.372	S	S	.	.			trans	-77.7	151.8	169.9	-55.1	-159.3	-171.1	116.5	-2.3	110.1	E328 N332 E333	E328-R330 VanDerWaalsContact C-N 3.3Å; E328-R330 HydrophobicContact CG-CG 4.11Å; E328-R330 PolarHBondContact O-N 2.95Å; E328-R330 IonicContact OE2-CZ 3.36Å; E328-R330 IonicContact OE2-NE 2.72Å; E328-R330 PolarHBondContact OE2-NE 3.14Å; E328-R330 IonicContact OE2-NH2 3.62Å; E328-R330 PolarHBondContact OE2-NH2 2.91Å; R330-N332 PolarHBondContact O-N 3.07Å; R330-E333 HydrophobicContact CB-CG 4.05Å; R330-E333 WeakPolarHBondContact CD-OE1 3.45Å; R330-E333 WeakPolarHBondContact CG-OE1 3.38Å; R330-E333 IonicContact CZ-OE1 2.84Å; R330-E333 IonicContact NE-OE1 2.66Å; R330-E333 IonicContact NH1-OE1 2.71Å; R330-E333 PolarHBondContact NH1-OE1 2.94Å; R330-E333 PolarHBondContact O-N 3.28Å
331	K	47	Very low	58.6	Low	190 Å²	190	73.4 Å²	73.4	83%	0.826	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.3	-169.4	-66.3	-172.2	173.1	-169.5	0	115.8
332	N	42.7	Very low	57.5	Low	156 Å²	156	74.5 Å²	74.5	83%	0.834	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	17.9	-174.5	-66.7	-0.5	0	0	0	113.5	R330	R330-N332 PolarHBondContact O-N 3.07Å
333	E	40.9	Very low	57.3	Low	109 Å²	109	76.4 Å²	76.4	51%	0.509	41%	0.405	S	S	.	.			trans	-85.2	136.6	-179	-79.5	-179.7	-158	0	0	112.6	R330	R330-E333 HydrophobicContact CB-CG 4.05Å; R330-E333 WeakPolarHBondContact CD-OE1 3.45Å; R330-E333 WeakPolarHBondContact CG-OE1 3.38Å; R330-E333 IonicContact CZ-OE1 2.84Å; R330-E333 IonicContact NE-OE1 2.66Å; R330-E333 IonicContact NH1-OE1 2.71Å; R330-E333 PolarHBondContact NH1-OE1 2.94Å; R330-E333 PolarHBondContact O-N 3.28Å
334	E	42.2	Very low	57.4	Low	181 Å²	181	79.6 Å²	79.6	85%	0.846	42%	0.422	S	S	*	.			trans	-72.5	160.7	-166.2	-63.5	177.8	146.3	0	0	113.9	L336	E334-L336 PolarHBondContact O-N 3.29Å
335	V	40.7	Very low	58.2	Low	90 Å²	90	81.1 Å²	81.1	55%	0.545	43%	0.427	S	S	.	.			trans	-61.3	103.4	177.8	-174.8	0	0	0	0	110.1	A337	V335-A337 VanDerWaalsContact C-N 3.31Å; V335-A337 PolarHBondContact O-N 2.6Å
336	L	45.9	Very low	59.1	Low	90 Å²	90	80.7 Å²	80.7	47%	0.471	43%	0.425	S	S	.	.			trans	-69.8	88.6	169.4	-71.7	171.8	0	0	0	109.1	I327 E334 N338 Y356	I327-L336 HydrophobicContact CG2-CD1 3.84Å; E334-L336 PolarHBondContact O-N 3.29Å; L336-N338 PolarHBondContact O-N 3.12Å; L336-Y356 WeakPolarHBondContact O-CE2 3.18Å
337	A	43.4	Very low	60.3	Low	64 Å²	64	80.8 Å²	80.8	53%	0.529	43%	0.425	S	S	.	.			trans	-68.7	-3.8	-168	0	0	0	0	0	116.5	V335	V335-A337 VanDerWaalsContact C-N 3.31Å; V335-A337 PolarHBondContact O-N 2.6Å
338	N	46.8	Very low	60.9	Low	121 Å²	121	80 Å²	80	65%	0.647	42%	0.422	S	S	*	.	S	Bend	trans	-98.7	122.9	-173.8	-67.4	-1.1	0	0	0	111.5	L336 C340 Y356	L336-N338 PolarHBondContact O-N 3.12Å; N338-C340 PolarHBondContact O-N 3.09Å; N338-Y356 PolarHBondContact O-OH 3.13Å
339	P	50.6	Low	62	Low	64 Å²	64	76.1 Å²	76.1	42%	0.416	40%	0.404	S	S	.	.			trans	-60.6	124.3	173.7	22.9	-31.4	0	0	0	110.7	M346 Y356	P339-M346 HydrophobicContact CB-CE 4.15Å; P339-M346 HydrophobicContact CB-SD 4.34Å; P339-Y356 WeakPolarHBondContact CA-OH 3.45Å
340	C	49.1	Very low	63.4	Low	30 Å²	30	73.3 Å²	73.3	20%	0.203	39%	0.387	C	S	.	.			trans	-132.5	127.5	-179.7	-75.1	0	0	0	0	110.3	L325 N338 M346 Y356	L325-C340 HydrophobicContact CD1-CB 4.19Å; L325-C340 HydrophobicContact CD2-CB 3.89Å; N338-C340 PolarHBondContact O-N 3.09Å; C340-M346 WeakPolarHBondContact O-CE 3.37Å; C340-Y356 PolarHBondContact N-OH 3.37Å; C340-Y356 VanDerWaalsContact N-OH 3.12Å
341	G	56.2	Low	64.8	Low	30 Å²	30	67 Å²	67	31%	0.309	36%	0.363	S	S	.	.	S	Bend	trans	134.3	-179	-176.9	0	0	0	0	0	111.1	D168 M346	D168-G341 WeakPolarHBondContact OD1-CA 3.4Å; G341-M346 WeakPolarHBondContact O-CE 3.44Å
342	T	69.9	Low	66.4	Low	59 Å²	59	62.3 Å²	62.3	36%	0.362	35%	0.347	S	S	.	.			trans	-86.1	118	173.2	-60	0	0	0	0	110.5	D168 K170 L344 Y345	D168-T342 PolarHBondContact OD1-N 3.04Å; K170-T342 PolarHBondContact NZ-OG1 3.4Å; T342-L344 VanDerWaalsContact C-N 3.26Å; T342-L344 PolarHBondContact O-N 3.38Å; T342-Y345 HydrophobicContact CG2-CD2 3.88Å; T342-Y345 HydrophobicContact CG2-CE2 3.66Å; T342-Y345 PolarHBondContact O-N 2.72Å
343	L	81	Confident	67.9	Low	80 Å²	80	56.5 Å²	56.5	42%	0.419	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-43	-43.2	-170.3	-71.9	170.2	0	0	0	115.3	Y345 M346 L351	L343-Y345 PolarHBondContact O-N 2.79Å; L343-Y345 VanDerWaalsContact O-N 3.13Å; L343-M346 HydrophobicContact CD2-SD 3.9Å; L343-M346 WeakPolarHBondContact O-CB 3.28Å; L343-M346 PolarHBondContact O-N 2.68Å; L343-M346 VanDerWaalsContact O-N 3.09Å; L343-L351 HydrophobicContact CD2-CD2 3.95Å
344	L	85.1	Confident	69.1	Low	68 Å²	68	58.9 Å²	58.9	36%	0.356	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.9	-175.4	-62.1	172.7	0	0	0	114.4	T342 T377	T342-L344 VanDerWaalsContact C-N 3.26Å; T342-L344 PolarHBondContact O-N 3.38Å; L344-T377 HydrophobicContact CD1-CG2 4.37Å
345	Y	90.1	Very high	70.1	Confident	33 Å²	33	52.5 Å²	52.5	13%	0.129	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-105.5	-2.2	179	-44.1	-85	0	0	0	112.8	K170 P171 T342 L343 S364 I367 I368 I371	K170-Y345 HydrophobicContact CB-CD1 4.34Å; K170-Y345 HydrophobicContact CB-CD2 3.72Å; K170-Y345 HydrophobicContact CB-CE1 4.31Å; K170-Y345 HydrophobicContact CB-CE2 3.69Å; K170-Y345 HydrophobicContact CB-CG 4.06Å; P171-Y345 VanDerWaalsContact CD-CE1 3.42Å; P171-Y345 HydrophobicContact CG-CE1 4.16Å; T342-Y345 HydrophobicContact CG2-CD2 3.88Å; T342-Y345 HydrophobicContact CG2-CE2 3.66Å; T342-Y345 PolarHBondContact O-N 2.72Å; L343-Y345 PolarHBondContact O-N 2.79Å; L343-Y345 VanDerWaalsContact O-N 3.13Å; Y345-S364 WeakPolarHBondContact O-CA 3.26Å; Y345-S364 WeakPolarHBondContact O-CB 3.26Å; Y345-S364 PolarHBondContact O-OG 3.34Å; Y345-I367 HydrophobicContact CD1-CB 4.29Å; Y345-I367 HydrophobicContact CD1-CG2 3.72Å; Y345-I367 HydrophobicContact CE1-CG2 4.25Å; Y345-I368 HydrophobicContact CD1-CG1 4.32Å; Y345-I371 HydrophobicContact CD1-CD1 4.42Å; Y345-I371 HydrophobicContact CE1-CD1 3.62Å
346	M	88.7	Confident	71.3	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.064	28%	0.283	C	S	.	.			trans	-72.5	142.7	-178	-70.9	-175.8	167.8	0	0	111.6	P339 C340 G341 L343 V350 L351 W363	P339-M346 HydrophobicContact CB-CE 4.15Å; P339-M346 HydrophobicContact CB-SD 4.34Å; C340-M346 WeakPolarHBondContact O-CE 3.37Å; G341-M346 WeakPolarHBondContact O-CE 3.44Å; L343-M346 HydrophobicContact CD2-SD 3.9Å; L343-M346 WeakPolarHBondContact O-CB 3.28Å; L343-M346 PolarHBondContact O-N 2.68Å; L343-M346 VanDerWaalsContact O-N 3.09Å; M346-V350 HydrophobicContact CB-CG1 4.3Å; M346-V350 HydrophobicContact CG-CG1 4.19Å; M346-V350 HydrophobicContact SD-CG1 4.06Å; M346-L351 HydrophobicContact CB-CD1 4.47Å; M346-L351 HydrophobicContact CB-CD2 3.78Å; M346-L351 HydrophobicContact CB-CG 3.9Å; M346-L351 HydrophobicContact CG-CD2 4.34Å; M346-L351 HydrophobicContact SD-CD2 3.59Å; M346-L351 VanDerWaalsContact SD-CD2 3.59Å; M346-W363 PolarHBondContact O-NE1 3.17Å
347	A	91	Very high	72.7	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.008	27%	0.273	C	S	.	.			trans	-76.8	153.8	174.6	0	0	0	0	0	112	E349 V350 L351 C360 W363	A347-E349 VanDerWaalsContact CB-CD 3.45Å; A347-E349 WeakPolarHBondContact CB-OE1 3.33Å; A347-E349 VanDerWaalsContact CB-OE2 3.28Å; A347-E349 WeakPolarHBondContact CB-OE2 3.22Å; A347-E349 PolarHBondContact O-N 3.37Å; A347-V350 HydrophobicContact CB-CG2 4.27Å; A347-V350 WeakPolarHBondContact O-CA 3.35Å; A347-V350 WeakPolarHBondContact O-CB 3.18Å; A347-V350 PolarHBondContact O-N 3.14Å; A347-L351 PolarHBondContact O-N 2.7Å; A347-L351 VanDerWaalsContact O-N 3.07Å; A347-C360 HydrophobicContact CB-CB 3.94Å; A347-W363 VanDerWaalsContact CA-CD1 3.42Å; A347-W363 HydrophobicContact CB-CB 3.69Å; A347-W363 HydrophobicContact CB-CD2 4.19Å; A347-W363 HydrophobicContact CB-CG 3.62Å
348	P	90	Very high	75	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-34.9	-179	-21.9	31.2	0	0	0	113	V350 N352 W363 M388 L391 I421	P348-V350 VanDerWaalsContact C-N 3.32Å; P348-V350 PolarHBondContact O-N 3.06Å; P348-N352 WeakPolarHBondContact O-CB 3.24Å; P348-N352 PolarHBondContact O-N 2.92Å; P348-N352 PolarHBondContact O-ND2 3.46Å; P348-W363 HydrophobicContact CG-CE3 4.26Å; P348-W363 HydrophobicContact CG-CH2 3.55Å; P348-W363 HydrophobicContact CG-CZ2 3.92Å; P348-W363 HydrophobicContact CG-CZ3 3.73Å; P348-M388 HydrophobicContact CB-CE 4.49Å; P348-L391 HydrophobicContact CG-CD1 4.31Å; P348-I421 HydrophobicContact CG-CD1 3.8Å
349	E	88.3	Confident	77.2	Confident	9 Å²	9	44.7 Å²	44.7	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-30.7	176.2	71.7	-80.8	-170.7	0	0	112.9	A347 R354 P423 R426	A347-E349 VanDerWaalsContact CB-CD 3.45Å; A347-E349 WeakPolarHBondContact CB-OE1 3.33Å; A347-E349 VanDerWaalsContact CB-OE2 3.28Å; A347-E349 WeakPolarHBondContact CB-OE2 3.22Å; A347-E349 PolarHBondContact O-N 3.37Å; E349-R354 HydrophobicContact CB-CB 4.33Å; E349-R354 WeakPolarHBondContact O-CB 3.41Å; E349-R354 PolarHBondContact O-N 3.01Å; E349-P423 HydrophobicContact CB-CG 4.49Å; E349-P423 HydrophobicContact CG-CG 4.25Å; E349-R426 IonicContact OE1-CZ 3.26Å; E349-R426 IonicContact OE1-NH1 2.77Å; E349-R426 PolarHBondContact OE1-NH1 3.25Å; E349-R426 IonicContact OE1-NH2 2.64Å; E349-R426 IonicContact OE2-CZ 2.67Å; E349-R426 IonicContact OE2-NH1 2.79Å; E349-R426 PolarHBondContact OE2-NH1 3.16Å; E349-R426 IonicContact OE2-NH2 2.72Å; E349-R426 PolarHBondContact OE2-NH2 3.37Å
350	V	87	Confident	79.2	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-73.1	-43	176.6	172.3	0	0	0	0	111	M346 A347 P348 G353 Y356 C360	M346-V350 HydrophobicContact CB-CG1 4.3Å; M346-V350 HydrophobicContact CG-CG1 4.19Å; M346-V350 HydrophobicContact SD-CG1 4.06Å; A347-V350 HydrophobicContact CB-CG2 4.27Å; A347-V350 WeakPolarHBondContact O-CA 3.35Å; A347-V350 WeakPolarHBondContact O-CB 3.18Å; A347-V350 PolarHBondContact O-N 3.14Å; P348-V350 VanDerWaalsContact C-N 3.32Å; P348-V350 PolarHBondContact O-N 3.06Å; V350-G353 PolarHBondContact O-N 2.69Å; V350-Y356 HydrophobicContact CB-CE1 4.16Å; V350-Y356 HydrophobicContact CG1-CD1 4.29Å; V350-Y356 HydrophobicContact CG1-CE1 3.45Å; V350-Y356 VanDerWaalsContact CG1-CE1 3.45Å; V350-Y356 HydrophobicContact CG2-CD1 3.65Å; V350-Y356 HydrophobicContact CG2-CE1 3.69Å; V350-C360 HydrophobicContact CG2-CB 3.69Å
351	L	84	Confident	81.5	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-62.6	-42.9	175.3	-64.9	171.7	0	0	0	111	L343 M346 A347 G353 E384 L387 M388 L391	L343-L351 HydrophobicContact CD2-CD2 3.95Å; M346-L351 HydrophobicContact CB-CD1 4.47Å; M346-L351 HydrophobicContact CB-CD2 3.78Å; M346-L351 HydrophobicContact CB-CG 3.9Å; M346-L351 HydrophobicContact CG-CD2 4.34Å; M346-L351 HydrophobicContact SD-CD2 3.59Å; M346-L351 VanDerWaalsContact SD-CD2 3.59Å; A347-L351 PolarHBondContact O-N 2.7Å; A347-L351 VanDerWaalsContact O-N 3.07Å; L351-G353 PolarHBondContact O-N 2.91Å; L351-E384 HydrophobicContact CD2-CG 4.3Å; L351-L387 HydrophobicContact CD1-CD2 3.92Å; L351-L387 HydrophobicContact CD1-CG 4.35Å; L351-M388 HydrophobicContact CB-CG 4.32Å; L351-M388 HydrophobicContact CB-SD 3.57Å; L351-M388 VanDerWaalsContact CB-SD 3.57Å; L351-M388 HydrophobicContact CD1-CG 4.41Å; L351-M388 HydrophobicContact CD1-SD 3.64Å; L351-M388 HydrophobicContact CG-SD 4.25Å; L351-L391 HydrophobicContact CD1-CD1 4.14Å
352	N	81.5	Confident	83.4	Confident	90 Å²	90	39 Å²	39	48%	0.481	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	7.7	175.3	-74.4	-57.3	0	0	0	114.9	P348 R354 M388	P348-N352 WeakPolarHBondContact O-CB 3.24Å; P348-N352 PolarHBondContact O-N 2.92Å; P348-N352 PolarHBondContact O-ND2 3.46Å; N352-R354 HydrophobicContact CB-CG 4.13Å; N352-R354 PolarHBondContact O-N 3.05Å; N352-R354 VanDerWaalsContact O-N 3.12Å; N352-M388 WeakPolarHBondContact ND2-CE 3.45Å
353	G	72.9	Confident	84.7	Confident	34 Å²	34	36.2 Å²	36.2	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	16.3	-178.7	0	0	0	0	0	114.6	V350 L351	V350-G353 PolarHBondContact O-N 2.69Å; L351-G353 PolarHBondContact O-N 2.91Å
354	R	66.5	Low	85.4	Confident	160 Å²	160	32.7 Å²	32.7	60%	0.604	16%	0.164	S	C	*	.	P	Polyproline II helix	trans	-77.9	162.4	177.3	-60.3	-176.9	176.8	178.3	-1.4	110.2	E349 N352 Y356	E349-R354 HydrophobicContact CB-CB 4.33Å; E349-R354 WeakPolarHBondContact O-CB 3.41Å; E349-R354 PolarHBondContact O-N 3.01Å; N352-R354 HydrophobicContact CB-CG 4.13Å; N352-R354 PolarHBondContact O-N 3.05Å; N352-R354 VanDerWaalsContact O-N 3.12Å; R354-Y356 PolarHBondContact O-N 2.8Å
355	S	63.7	Low	86	Confident	46 Å²	46	29.4 Å²	29.4	32%	0.322	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-48.9	124.2	179	-56.9	0	0	0	0	112.3	T357	S355-T357 PolarHBondContact O-N 2.88Å
356	Y	65.6	Low	86.4	Confident	30 Å²	30	27.9 Å²	27.9	12%	0.118	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-58.5	122.9	173.9	-72.1	-88.9	0	0	0	110.8	R167 L336 N338 P339 C340 V350 R354	R167-Y356 VanDerWaalsContact CD-CD1 3.44Å; R167-Y356 HydrophobicContact CG-CD1 4.08Å; L336-Y356 WeakPolarHBondContact O-CE2 3.18Å; N338-Y356 PolarHBondContact O-OH 3.13Å; P339-Y356 WeakPolarHBondContact CA-OH 3.45Å; C340-Y356 PolarHBondContact N-OH 3.37Å; C340-Y356 VanDerWaalsContact N-OH 3.12Å; V350-Y356 HydrophobicContact CB-CE1 4.16Å; V350-Y356 HydrophobicContact CG1-CD1 4.29Å; V350-Y356 HydrophobicContact CG1-CE1 3.45Å; V350-Y356 VanDerWaalsContact CG1-CE1 3.45Å; V350-Y356 HydrophobicContact CG2-CD1 3.65Å; V350-Y356 HydrophobicContact CG2-CE1 3.69Å; R354-Y356 PolarHBondContact O-N 2.8Å
357	T	76.2	Confident	86.8	Confident	41 Å²	41	27.3 Å²	27.3	25%	0.252	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-103.8	165.6	174	66.2	0	0	0	0	110.2	S355 Q359 C360	S355-T357 PolarHBondContact O-N 2.88Å; T357-Q359 PolarHBondContact O-N 2.96Å; T357-Q359 WeakPolarHBondContact OG1-CB 3.39Å; T357-Q359 PolarHBondContact OG1-N 2.83Å; T357-C360 PolarHBondContact O-N 2.84Å; T357-C360 PolarHBondContact O-SG 2.81Å
358	R	90.4	Very high	87.1	Confident	94 Å²	94	27.3 Å²	27.3	36%	0.355	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.5	169.4	-68.2	162.3	-171.4	-171.6	3.5	111.6	H160 V165 C360 D361	H160-R358 HydrophobicContact CB-CG 4.34Å; H160-R358 PolarHBondContact CE1-O 3.13Å; H160-R358 PolarHBondContact O-NE 3.4Å; H160-R358 PolarHBondContact O-NH1 3.2Å; H160-R358 PolarHBondContact O-NH2 3.33Å; V165-R358 HydrophobicContact CG2-CB 4.39Å; V165-R358 HydrophobicContact CG2-CG 3.67Å; R358-C360 VanDerWaalsContact C-N 3.26Å; R358-C360 PolarHBondContact O-N 3.34Å; R358-D361 PolarHBondContact O-N 2.82Å
359	Q	93.5	Very high	87.5	Confident	36 Å²	36	27 Å²	27	17%	0.168	14%	0.136	C	C	.	.	H	α-helix	trans	-73.9	-15.9	-174.9	-64.2	29.1	76.5	0	0	111.9	T357 D361 L362 W363 P423 R426	T357-Q359 PolarHBondContact O-N 2.96Å; T357-Q359 WeakPolarHBondContact OG1-CB 3.39Å; T357-Q359 PolarHBondContact OG1-N 2.83Å; Q359-D361 VanDerWaalsContact C-N 3.33Å; Q359-L362 PolarHBondContact O-N 3.04Å; Q359-W363 PolarHBondContact O-N 3.3Å; Q359-W363 VanDerWaalsContact O-N 3.15Å; Q359-P423 HydrophobicContact CB-CB 3.76Å; Q359-P423 HydrophobicContact CG-CB 4.11Å; Q359-P423 WeakPolarHBondContact CG-O 3.43Å; Q359-R426 VanDerWaalsContact C-NH1 3.33Å; Q359-R426 WeakPolarHBondContact O-CD 3.26Å; Q359-R426 PolarHBondContact O-NH1 3.41Å
360	C	93.3	Very high	87.9	Confident	4 Å²	4	27.3 Å²	27.3	3%	0.027	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-37.6	174.3	72.8	0	0	0	0	111.7	A347 V350 T357 R358 L362 W363 S364	A347-C360 HydrophobicContact CB-CB 3.94Å; V350-C360 HydrophobicContact CG2-CB 3.69Å; T357-C360 PolarHBondContact O-N 2.84Å; T357-C360 PolarHBondContact O-SG 2.81Å; R358-C360 VanDerWaalsContact C-N 3.26Å; R358-C360 PolarHBondContact O-N 3.34Å; C360-L362 PolarHBondContact O-N 3.44Å; C360-W363 WeakPolarHBondContact O-CB 2.83Å; C360-W363 PolarHBondContact O-N 3.11Å; C360-S364 PolarHBondContact O-N 3.22Å; C360-S364 PolarHBondContact O-OG 3.05Å; C360-S364 VanDerWaalsContact O-OG 3.12Å
361	D	95.8	Very high	88.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-33.1	176.7	-64.7	-19.1	0	0	0	111.6	L156 H160 V165 H166 R167 L169 R358 Q359 L365	L156-D361 HydrophobicContact CD1-CB 4.22Å; L156-D361 HydrophobicContact CD2-CB 3.94Å; H160-D361 IonicContact CD2-OD2 3.03Å; H160-D361 IonicContact CE1-OD2 3.52Å; H160-D361 IonicContact NE2-OD2 3.61Å; H160-D361 PolarHBondContact NE2-OD2 3.3Å; V165-D361 WeakPolarHBondContact CG1-OD2 3.18Å; H166-D361 PolarHBondContact N-OD1 3.14Å; H166-D361 PolarHBondContact N-OD2 2.83Å; R167-D361 PolarHBondContact N-OD1 3.36Å; L169-D361 WeakPolarHBondContact CD2-O 3.48Å; R358-D361 PolarHBondContact O-N 2.82Å; Q359-D361 VanDerWaalsContact C-N 3.33Å; D361-L365 WeakPolarHBondContact O-CB 3.35Å; D361-L365 PolarHBondContact O-N 3.49Å
362	L	97.6	Very high	88.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77.8	-31.2	178.9	-76.2	-51.2	0	0	0	112.5	L156 H160 Q359 C360 L365 G366 L418 L427 A429 L432	L156-L362 HydrophobicContact CD1-CD1 4.15Å; H160-L362 VanDerWaalsContact CE1-CD2 3.46Å; H160-L362 WeakPolarHBondContact CE1-CD2 3.47Å; Q359-L362 PolarHBondContact O-N 3.04Å; C360-L362 PolarHBondContact O-N 3.44Å; L362-L365 HydrophobicContact CD1-CD2 4.04Å; L362-L365 PolarHBondContact O-N 3.17Å; L362-G366 PolarHBondContact O-N 3.08Å; L362-L418 HydrophobicContact CB-CD2 4.2Å; L362-L418 HydrophobicContact CD1-CD2 4.29Å; L362-L427 WeakPolarHBondContact CG-O 3.38Å; L362-A429 HydrophobicContact CD1-CB 4.3Å; L362-A429 HydrophobicContact CD2-CB 4.33Å; L362-L432 HydrophobicContact CD1-CD2 3.96Å
363	W	96.3	Very high	89.7	Confident	2 Å²	2	23 Å²	23	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-50.4	167.7	173.9	-80.4	0	0	0	110.7	M346 A347 P348 Q359 C360 L365 G366 I367 L391 I396 L419 I421	M346-W363 PolarHBondContact O-NE1 3.17Å; A347-W363 VanDerWaalsContact CA-CD1 3.42Å; A347-W363 HydrophobicContact CB-CB 3.69Å; A347-W363 HydrophobicContact CB-CD2 4.19Å; A347-W363 HydrophobicContact CB-CG 3.62Å; P348-W363 HydrophobicContact CG-CE3 4.26Å; P348-W363 HydrophobicContact CG-CH2 3.55Å; P348-W363 HydrophobicContact CG-CZ2 3.92Å; P348-W363 HydrophobicContact CG-CZ3 3.73Å; Q359-W363 PolarHBondContact O-N 3.3Å; Q359-W363 VanDerWaalsContact O-N 3.15Å; C360-W363 WeakPolarHBondContact O-CB 2.83Å; C360-W363 PolarHBondContact O-N 3.11Å; W363-L365 PolarHBondContact O-N 3.38Å; W363-G366 WeakPolarHBondContact O-CA 3.44Å; W363-G366 PolarHBondContact O-N 2.89Å; W363-I367 PolarHBondContact O-N 3.19Å; W363-L391 HydrophobicContact CH2-CD1 4.49Å; W363-L391 HydrophobicContact CH2-CD2 3.94Å; W363-L391 HydrophobicContact CZ2-CD1 3.99Å; W363-L391 HydrophobicContact CZ2-CD2 3.69Å; W363-L391 HydrophobicContact CZ2-CG 4.45Å; W363-I396 HydrophobicContact CH2-CD1 3.84Å; W363-I396 HydrophobicContact CZ3-CD1 4.27Å; W363-L419 HydrophobicContact CD2-CD2 3.96Å; W363-L419 HydrophobicContact CE3-CD2 4.14Å; W363-L419 HydrophobicContact CG-CD2 4.4Å; W363-L419 HydrophobicContact CZ2-CD2 4.45Å; W363-L419 HydrophobicContact CZ3-CB 4.31Å; W363-L419 HydrophobicContact CZ3-CD2 4.47Å; W363-L419 VanDerWaalsContact CZ3-O 3.29Å; W363-L419 WeakPolarHBondContact CZ3-O 3.29Å; W363-I421 HydrophobicContact CH2-CD1 3.96Å; W363-I421 HydrophobicContact CZ3-CD1 4.14Å
364	S	96	Very high	90.7	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-39.3	176.8	-55.2	0	0	0	0	111.4	L169 Y345 C360 I367 I368	L169-S364 WeakPolarHBondContact O-CB 3.46Å; Y345-S364 WeakPolarHBondContact O-CA 3.26Å; Y345-S364 WeakPolarHBondContact O-CB 3.26Å; Y345-S364 PolarHBondContact O-OG 3.34Å; C360-S364 PolarHBondContact O-N 3.22Å; C360-S364 PolarHBondContact O-OG 3.05Å; C360-S364 VanDerWaalsContact O-OG 3.12Å; S364-I367 PolarHBondContact O-N 3.27Å; S364-I368 WeakPolarHBondContact O-CD1 3.46Å; S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.48Å; S364-I368 PolarHBondContact O-N 3Å
365	L	98	Very high	91.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-40.9	172.7	-175	54.9	0	0	0	112.6	V149 I152 L156 L169 D361 L362 W363 I367 I368 V369 L432	V149-L365 HydrophobicContact CG1-CD2 4.41Å; I152-L365 HydrophobicContact CB-CD1 4.35Å; I152-L365 HydrophobicContact CD1-CD1 4.12Å; I152-L365 HydrophobicContact CG2-CD1 3.86Å; I152-L365 HydrophobicContact CG2-CD2 4.1Å; L156-L365 HydrophobicContact CD1-CD2 4.11Å; L169-L365 HydrophobicContact CD2-CB 3.93Å; D361-L365 WeakPolarHBondContact O-CB 3.35Å; D361-L365 PolarHBondContact O-N 3.49Å; L362-L365 HydrophobicContact CD1-CD2 4.04Å; L362-L365 PolarHBondContact O-N 3.17Å; W363-L365 PolarHBondContact O-N 3.38Å; L365-I367 PolarHBondContact O-N 3.02Å; L365-I368 WeakPolarHBondContact O-CB 3.49Å; L365-I368 PolarHBondContact O-N 3.27Å; L365-V369 HydrophobicContact CD1-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.18Å; L365-V369 PolarHBondContact O-N 3.08Å; L365-L432 HydrophobicContact CD2-CD2 3.53Å
366	G	97.9	Very high	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-42.8	173.3	0	0	0	0	0	113.2	L362 W363 V369 F370 L415	L362-G366 PolarHBondContact O-N 3.08Å; W363-G366 WeakPolarHBondContact O-CA 3.44Å; W363-G366 PolarHBondContact O-N 2.89Å; G366-V369 PolarHBondContact O-N 3.25Å; G366-F370 PolarHBondContact O-N 2.84Å; G366-F370 VanDerWaalsContact O-N 3.11Å; G366-L415 WeakPolarHBondContact O-CD2 3.42Å
367	I	96.6	Very high	94.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-42.9	174.3	-57.1	-63	0	0	0	110.8	Y345 W363 S364 L365 F370 I371 P378 F379 L419	Y345-I367 HydrophobicContact CD1-CB 4.29Å; Y345-I367 HydrophobicContact CD1-CG2 3.72Å; Y345-I367 HydrophobicContact CE1-CG2 4.25Å; W363-I367 PolarHBondContact O-N 3.19Å; S364-I367 PolarHBondContact O-N 3.27Å; L365-I367 PolarHBondContact O-N 3.02Å; I367-F370 PolarHBondContact O-N 3.15Å; I367-I371 HydrophobicContact CG2-CD1 3.88Å; I367-I371 WeakPolarHBondContact O-CG1 3.05Å; I367-I371 PolarHBondContact O-N 3.46Å; I367-P378 HydrophobicContact CD1-CG 3.71Å; I367-P378 HydrophobicContact CG2-CG 4.18Å; I367-F379 HydrophobicContact CD1-CD2 4.19Å; I367-F379 HydrophobicContact CD1-CE2 3.82Å; I367-L419 HydrophobicContact CD1-CD1 4.44Å; I367-L419 HydrophobicContact CD1-CD2 3.68Å; I367-L419 HydrophobicContact CG1-CD2 4.03Å
368	I	97.6	Very high	94.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-46.3	175.9	-68.8	157.8	0	0	0	110.9	L169 P171 I174 Y345 S364 L365 F370 I371 L372	L169-I368 HydrophobicContact CD2-CD1 3.97Å; L169-I368 HydrophobicContact CG-CD1 3.7Å; P171-I368 HydrophobicContact CG-CG1 4.12Å; I174-I368 HydrophobicContact CD1-CD1 3.94Å; I174-I368 HydrophobicContact CD1-CG2 4.28Å; Y345-I368 HydrophobicContact CD1-CG1 4.32Å; S364-I368 WeakPolarHBondContact O-CD1 3.46Å; S364-I368 VanDerWaalsContact O-CG1 3.25Å; S364-I368 WeakPolarHBondContact O-CG1 3.48Å; S364-I368 PolarHBondContact O-N 3Å; L365-I368 WeakPolarHBondContact O-CB 3.49Å; L365-I368 PolarHBondContact O-N 3.27Å; I368-F370 VanDerWaalsContact C-N 3.32Å; I368-F370 PolarHBondContact O-N 2.96Å; I368-I371 PolarHBondContact O-N 3.47Å; I368-I371 VanDerWaalsContact O-N 3.13Å; I368-L372 HydrophobicContact CG2-CD1 3.93Å; I368-L372 HydrophobicContact CG2-CG 4.06Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 3.43Å
369	V	98.2	Very high	94.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.7	-45.7	178.1	170.9	0	0	0	0	111.2	V145 V149 L365 G366 I371 L372 L373 L415 W437	V145-V369 HydrophobicContact CG1-CG1 4.19Å; V149-V369 HydrophobicContact CG2-CG2 3.37Å; L365-V369 HydrophobicContact CD1-CG2 4.42Å; L365-V369 WeakPolarHBondContact O-CG2 3.18Å; L365-V369 PolarHBondContact O-N 3.08Å; G366-V369 PolarHBondContact O-N 3.25Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 PolarHBondContact O-N 3.21Å; V369-L372 PolarHBondContact O-N 3.47Å; V369-L373 HydrophobicContact CG1-CD1 3.69Å; V369-L373 HydrophobicContact CG1-CG 4.43Å; V369-L373 WeakPolarHBondContact O-CB 3.41Å; V369-L373 WeakPolarHBondContact O-CD1 3.33Å; V369-L373 VanDerWaalsContact O-CG 3.26Å; V369-L373 WeakPolarHBondContact O-CG 3.48Å; V369-L373 PolarHBondContact O-N 3.06Å; V369-L415 HydrophobicContact CB-CD2 3.88Å; V369-L415 HydrophobicContact CG1-CD1 4.43Å; V369-L415 HydrophobicContact CG1-CD2 3.68Å; V369-L415 HydrophobicContact CG1-CG 4.08Å; V369-W437 HydrophobicContact CG1-CH2 3.58Å; V369-W437 HydrophobicContact CG1-CZ2 4.45Å; V369-W437 HydrophobicContact CG1-CZ3 4.1Å; V369-W437 HydrophobicContact CG2-CH2 4.28Å; V369-W437 HydrophobicContact CG2-CZ3 4.42Å
370	F	97.2	Very high	94	Very high	14 Å²	14	18.5 Å²	18.5	6%	0.061	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-46.4	175.8	-171.6	-79.1	0	0	0	111.6	G366 I367 I368 L373 T374 Q376 P378 T399 L403 L415	G366-F370 PolarHBondContact O-N 2.84Å; G366-F370 VanDerWaalsContact O-N 3.11Å; I367-F370 PolarHBondContact O-N 3.15Å; I368-F370 VanDerWaalsContact C-N 3.32Å; I368-F370 PolarHBondContact O-N 2.96Å; F370-L373 PolarHBondContact O-N 3.45Å; F370-T374 HydrophobicContact CD1-CG2 4.31Å; F370-T374 WeakPolarHBondContact CD1-OG1 3.2Å; F370-T374 HydrophobicContact CE1-CG2 4.01Å; F370-T374 WeakPolarHBondContact CE1-OG1 3.31Å; F370-T374 HydrophobicContact CZ-CG2 4.19Å; F370-T374 WeakPolarHBondContact O-CB 3.29Å; F370-T374 WeakPolarHBondContact O-CG2 3.47Å; F370-T374 PolarHBondContact O-N 3.03Å; F370-T374 VanDerWaalsContact O-N 3.11Å; F370-T374 PolarHBondContact O-OG1 3.19Å; F370-Q376 WeakPolarHBondContact CD1-O 3.34Å; F370-P378 HydrophobicContact CB-CB 4.47Å; F370-P378 HydrophobicContact CB-CG 4.36Å; F370-P378 HydrophobicContact CD1-CB 3.65Å; F370-P378 HydrophobicContact CD1-CG 4.02Å; F370-P378 HydrophobicContact CD2-CB 4.02Å; F370-P378 HydrophobicContact CE1-CB 3.79Å; F370-P378 HydrophobicContact CE2-CB 4.14Å; F370-P378 HydrophobicContact CG-CB 3.78Å; F370-P378 HydrophobicContact CG-CG 4.14Å; F370-P378 HydrophobicContact CZ-CB 4.04Å; F370-T399 HydrophobicContact CE2-CG2 3.67Å; F370-T399 HydrophobicContact CZ-CG2 3.84Å; F370-L403 HydrophobicContact CD2-CD1 4.25Å; F370-L403 HydrophobicContact CD2-CD2 4.31Å; F370-L403 HydrophobicContact CE2-CD1 4.2Å; F370-L403 HydrophobicContact CE2-CD2 3.73Å; F370-L403 HydrophobicContact CE2-CG 4.11Å; F370-L403 HydrophobicContact CZ-CD2 4.09Å; F370-L415 HydrophobicContact CB-CD2 4.44Å
371	I	95.7	Very high	93.2	Very high	14 Å²	14	19 Å²	19	7%	0.072	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-46.2	178.2	-68.4	161.9	0	0	0	111.2	M131 Y345 I367 I368 V369 L373 T374 N375 Q376 T377	M131-I371 VanDerWaalsContact CE-O 3.29Å; M131-I371 WeakPolarHBondContact CE-O 3.48Å; Y345-I371 HydrophobicContact CD1-CD1 4.42Å; Y345-I371 HydrophobicContact CE1-CD1 3.62Å; I367-I371 HydrophobicContact CG2-CD1 3.88Å; I367-I371 WeakPolarHBondContact O-CG1 3.05Å; I367-I371 PolarHBondContact O-N 3.46Å; I368-I371 PolarHBondContact O-N 3.47Å; I368-I371 VanDerWaalsContact O-N 3.13Å; V369-I371 VanDerWaalsContact C-N 3.34Å; V369-I371 PolarHBondContact O-N 3.21Å; I371-L373 VanDerWaalsContact C-N 3.26Å; I371-L373 PolarHBondContact O-N 3.4Å; I371-T374 PolarHBondContact O-N 3.22Å; I371-N375 VanDerWaalsContact O-CA 3.26Å; I371-N375 WeakPolarHBondContact O-CA 3.36Å; I371-N375 PolarHBondContact O-N 2.84Å; I371-Q376 WeakPolarHBondContact CA-O 3.45Å; I371-Q376 VanDerWaalsContact CG1-O 3.28Å; I371-Q376 WeakPolarHBondContact CG1-O 3.35Å; I371-T377 HydrophobicContact CD1-CG2 4.17Å; I371-T377 HydrophobicContact CG1-CG2 4.42Å
372	L	97.6	Very high	92	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-36.8	178.7	-65.3	-179.7	0	0	0	111.9	L127 M131 L140 V145 I148 I368 V369	L127-L372 HydrophobicContact CB-CD2 4.46Å; L127-L372 HydrophobicContact CD1-CD1 4.3Å; L127-L372 HydrophobicContact CD1-CD2 4.25Å; M131-L372 HydrophobicContact CG-CD2 3.84Å; M131-L372 HydrophobicContact SD-CD2 3.6Å; L140-L372 WeakPolarHBondContact CB-O 3.31Å; L140-L372 HydrophobicContact CD1-CB 4.39Å; L140-L372 HydrophobicContact CD1-CD2 4.08Å; L140-L372 PolarHBondContact N-O 2.8Å; V145-L372 HydrophobicContact CG1-CB 4.25Å; V145-L372 HydrophobicContact CG1-CD1 4.31Å; V145-L372 HydrophobicContact CG2-CB 3.91Å; I148-L372 HydrophobicContact CD1-CD1 4.45Å; I148-L372 HydrophobicContact CG2-CD1 3.93Å; I368-L372 HydrophobicContact CG2-CD1 3.93Å; I368-L372 HydrophobicContact CG2-CG 4.06Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 3.43Å; V369-L372 PolarHBondContact O-N 3.47Å
373	L	96.6	Very high	90.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-76.3	-22.7	179.4	-70.5	166	0	0	0	114.5	E142 V145 R185 V369 F370 I371 V407 C411 L415	E142-L373 HydrophobicContact CB-CD2 4.45Å; E142-L373 HydrophobicContact CG-CD2 4.24Å; V145-L373 HydrophobicContact CB-CD2 4.27Å; V145-L373 HydrophobicContact CG1-CD2 4.41Å; V145-L373 HydrophobicContact CG1-CG 4.33Å; V145-L373 HydrophobicContact CG2-CD2 3.87Å; V145-L373 HydrophobicContact CG2-CG 4.24Å; R185-L373 PolarHBondContact NH1-O 2.83Å; R185-L373 PolarHBondContact NH2-O 3.41Å; V369-L373 HydrophobicContact CG1-CD1 3.69Å; V369-L373 HydrophobicContact CG1-CG 4.43Å; V369-L373 WeakPolarHBondContact O-CB 3.41Å; V369-L373 WeakPolarHBondContact O-CD1 3.33Å; V369-L373 VanDerWaalsContact O-CG 3.26Å; V369-L373 WeakPolarHBondContact O-CG 3.48Å; V369-L373 PolarHBondContact O-N 3.06Å; F370-L373 PolarHBondContact O-N 3.45Å; I371-L373 VanDerWaalsContact C-N 3.26Å; I371-L373 PolarHBondContact O-N 3.4Å; L373-V407 HydrophobicContact CD1-CG1 4.46Å; L373-C411 WeakPolarHBondContact CD1-SG 3.32Å; L373-L415 HydrophobicContact CD1-CD1 4.17Å
374	T	94.3	Very high	90	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-129.1	-13.4	-167.8	62.7	0	0	0	0	115.6	I187 F370 I371 Q376 L403	I187-T374 WeakPolarHBondContact CD1-O 3.23Å; F370-T374 HydrophobicContact CD1-CG2 4.31Å; F370-T374 WeakPolarHBondContact CD1-OG1 3.2Å; F370-T374 HydrophobicContact CE1-CG2 4.01Å; F370-T374 WeakPolarHBondContact CE1-OG1 3.31Å; F370-T374 HydrophobicContact CZ-CG2 4.19Å; F370-T374 WeakPolarHBondContact O-CB 3.29Å; F370-T374 WeakPolarHBondContact O-CG2 3.47Å; F370-T374 PolarHBondContact O-N 3.03Å; F370-T374 VanDerWaalsContact O-N 3.11Å; F370-T374 PolarHBondContact O-OG1 3.19Å; I371-T374 PolarHBondContact O-N 3.22Å; T374-Q376 PolarHBondContact O-N 3.28Å; T374-Q376 VanDerWaalsContact O-N 3.16Å; T374-Q376 PolarHBondContact OG1-N 3.38Å; T374-Q376 VanDerWaalsContact OG1-N 3.14Å; T374-Q376 PolarHBondContact OG1-O 2.73Å; T374-L403 HydrophobicContact CG2-CD2 3.36Å
375	N	92.4	Very high	89.3	Confident	57 Å²	57	41.7 Å²	41.7	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	50.3	27	-164.4	-151.8	11.4	0	0	0	114.2	M131 T138 I371	M131-N375 HydrophobicContact CE-CB 3.72Å; M131-N375 WeakPolarHBondContact CE-OD1 3.43Å; M131-N375 PolarHBondContact O-ND2 2.78Å; M131-N375 PolarHBondContact O-OD1 2.98Å; T138-N375 WeakPolarHBondContact O-CB 3.32Å; I371-N375 VanDerWaalsContact O-CA 3.26Å; I371-N375 WeakPolarHBondContact O-CA 3.36Å; I371-N375 PolarHBondContact O-N 2.84Å
376	Q	89.6	Confident	88.5	Confident	106 Å²	106	45.8 Å²	45.8	50%	0.495	23%	0.225	S	C	.	.	S	Bend	trans	-134.1	151.5	-178.9	-66.9	178.8	22.9	0	0	111	F370 I371 T374	F370-Q376 WeakPolarHBondContact CD1-O 3.34Å; I371-Q376 WeakPolarHBondContact CA-O 3.45Å; I371-Q376 VanDerWaalsContact CG1-O 3.28Å; I371-Q376 WeakPolarHBondContact CG1-O 3.35Å; T374-Q376 PolarHBondContact O-N 3.28Å; T374-Q376 VanDerWaalsContact O-N 3.16Å; T374-Q376 PolarHBondContact OG1-N 3.38Å; T374-Q376 VanDerWaalsContact OG1-N 3.14Å; T374-Q376 PolarHBondContact OG1-O 2.73Å
377	T	88.5	Confident	87.8	Confident	49 Å²	49	46.2 Å²	46.2	30%	0.301	23%	0.228	S	C	.	.			trans	-77.2	138.4	170.9	36.7	0	0	0	0	110.9	L344 I371 F379 N380	L344-T377 HydrophobicContact CD1-CG2 4.37Å; I371-T377 HydrophobicContact CD1-CG2 4.17Å; I371-T377 HydrophobicContact CG1-CG2 4.42Å; T377-F379 VanDerWaalsContact C-N 3.28Å; T377-F379 PolarHBondContact O-N 3.47Å; T377-N380 PolarHBondContact O-OD1 3.06Å; T377-N380 PolarHBondContact OG1-OD1 3.02Å
378	P	89.3	Confident	87.1	Confident	14 Å²	14	48.4 Å²	48.4	9%	0.091	24%	0.238	C	C	.	.	S	Bend	trans	-70.6	-23.1	-179.4	24.9	-31.8	0	0	0	113.8	I367 F370 T399	I367-P378 HydrophobicContact CD1-CG 3.71Å; I367-P378 HydrophobicContact CG2-CG 4.18Å; F370-P378 HydrophobicContact CB-CB 4.47Å; F370-P378 HydrophobicContact CB-CG 4.36Å; F370-P378 HydrophobicContact CD1-CB 3.65Å; F370-P378 HydrophobicContact CD1-CG 4.02Å; F370-P378 HydrophobicContact CD2-CB 4.02Å; F370-P378 HydrophobicContact CE1-CB 3.79Å; F370-P378 HydrophobicContact CE2-CB 4.14Å; F370-P378 HydrophobicContact CG-CB 3.78Å; F370-P378 HydrophobicContact CG-CG 4.14Å; F370-P378 HydrophobicContact CZ-CB 4.04Å; P378-T399 HydrophobicContact CB-CG2 3.93Å
379	F	87.8	Confident	86.4	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.057	27%	0.268	C	S	.	.			trans	-136	134.3	-179.8	-45.1	-68.3	0	0	0	108.5	I367 T377 L387 L391 I396	I367-F379 HydrophobicContact CD1-CD2 4.19Å; I367-F379 HydrophobicContact CD1-CE2 3.82Å; T377-F379 VanDerWaalsContact C-N 3.28Å; T377-F379 PolarHBondContact O-N 3.47Å; F379-L387 HydrophobicContact CB-CD1 3.76Å; F379-L387 HydrophobicContact CG-CD1 4.37Å; F379-L391 HydrophobicContact CD1-CD2 4.29Å; F379-L391 HydrophobicContact CD2-CD2 3.64Å; F379-L391 HydrophobicContact CE1-CD2 4.24Å; F379-L391 HydrophobicContact CE2-CD2 3.59Å; F379-L391 HydrophobicContact CG-CD2 4.03Å; F379-L391 HydrophobicContact CZ-CD2 3.93Å; F379-I396 HydrophobicContact CE1-CG1 4.23Å; F379-I396 HydrophobicContact CZ-CG1 3.82Å
380	N	77.3	Confident	85.6	Confident	102 Å²	102	57.1 Å²	57.1	55%	0.545	28%	0.283	S	S	.	.			trans	-117.9	20.6	-168.6	-69.8	-10.5	0	0	0	113.1	T377 Q382	T377-N380 PolarHBondContact O-OD1 3.06Å; T377-N380 PolarHBondContact OG1-OD1 3.02Å; N380-Q382 PolarHBondContact O-NE2 2.78Å
381	S	77	Confident	85.1	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.098	28%	0.284	C	S	.	.			trans	-57.9	139.1	178.9	-43.2	0	0	0	0	112.6	L387 E390	S381-L387 VanDerWaalsContact OG-CA 3.24Å; S381-L387 WeakPolarHBondContact OG-CA 3.37Å; S381-L387 PolarHBondContact OG-N 3.39Å; S381-E390 WeakPolarHBondContact CB-OE1 3.41Å; S381-E390 PolarHBondContact OG-OE1 2.68Å; S381-E390 PolarHBondContact OG-OE2 3.47Å
382	Q	70.1	Confident	84.7	Confident	166 Å²	166	59.3 Å²	59.3	78%	0.776	30%	0.296	S	S	*	.	S	Bend	trans	-88.1	-10.6	-175.8	-60.7	-61.2	-57.1	0	0	113.5	N380	N380-Q382 PolarHBondContact O-NE2 2.78Å
383	N	76.1	Confident	84.2	Confident	75 Å²	75	63 Å²	63	40%	0.401	31%	0.312	S	S	.	.	S	Bend	trans	-152.3	162.3	176.9	57.2	74.4	0	0	0	111.5	K385 Q386 L387	N383-K385 VanDerWaalsContact C-N 3.29Å; N383-K385 PolarHBondContact O-N 2.96Å; N383-K385 PolarHBondContact OD1-N 3.16Å; N383-Q386 PolarHBondContact ND2-NE2 3.06Å; N383-Q386 PolarHBondContact ND2-OE1 3.42Å; N383-Q386 PolarHBondContact O-N 3.43Å; N383-Q386 VanDerWaalsContact O-N 3.14Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.21Å; N383-Q386 PolarHBondContact OD1-N 2.9Å; N383-L387 PolarHBondContact O-N 3.25Å
384	E	76.5	Confident	83.9	Confident	82 Å²	82	65.9 Å²	65.9	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-51	-43.4	179.3	178.3	177.3	176.8	0	0	113.4	L351 Q386 L387 M388	L351-E384 HydrophobicContact CD2-CG 4.3Å; E384-Q386 PolarHBondContact O-N 3.26Å; E384-L387 PolarHBondContact O-N 2.95Å; E384-M388 WeakPolarHBondContact O-CB 3.48Å; E384-M388 WeakPolarHBondContact O-CG 3.44Å; E384-M388 PolarHBondContact O-N 3.48Å
385	K	80.7	Confident	83.7	Confident	162 Å²	162	68.2 Å²	68.2	70%	0.704	35%	0.345	S	S	*	.	H	α-helix	trans	-67	-38.1	-179.4	-172.3	175.3	-178.1	176.7	0	112.5	N383 N389	N383-K385 VanDerWaalsContact C-N 3.29Å; N383-K385 PolarHBondContact O-N 2.96Å; N383-K385 PolarHBondContact OD1-N 3.16Å; K385-N389 VanDerWaalsContact O-CG 3.23Å; K385-N389 PolarHBondContact O-N 3.19Å; K385-N389 PolarHBondContact O-ND2 2.89Å
386	Q	81.8	Confident	83.7	Confident	85 Å²	85	65.5 Å²	65.5	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-43.3	172.2	-74.7	172.3	-4.8	0	0	111.2	N383 E384 M388 N389 E390	N383-Q386 PolarHBondContact ND2-NE2 3.06Å; N383-Q386 PolarHBondContact ND2-OE1 3.42Å; N383-Q386 PolarHBondContact O-N 3.43Å; N383-Q386 VanDerWaalsContact O-N 3.14Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.21Å; N383-Q386 PolarHBondContact OD1-N 2.9Å; E384-Q386 PolarHBondContact O-N 3.26Å; Q386-M388 PolarHBondContact O-N 3.47Å; Q386-N389 WeakPolarHBondContact O-CB 3.41Å; Q386-N389 PolarHBondContact O-N 2.78Å; Q386-N389 VanDerWaalsContact O-N 3.09Å; Q386-E390 PolarHBondContact O-N 3.11Å
387	L	82.9	Confident	83.9	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-47.3	178.4	-173.9	59.5	0	0	0	111	L351 F379 S381 N383 E384 N389 E390 L391	L351-L387 HydrophobicContact CD1-CD2 3.92Å; L351-L387 HydrophobicContact CD1-CG 4.35Å; F379-L387 HydrophobicContact CB-CD1 3.76Å; F379-L387 HydrophobicContact CG-CD1 4.37Å; S381-L387 VanDerWaalsContact OG-CA 3.24Å; S381-L387 WeakPolarHBondContact OG-CA 3.37Å; S381-L387 PolarHBondContact OG-N 3.39Å; N383-L387 PolarHBondContact O-N 3.25Å; E384-L387 PolarHBondContact O-N 2.95Å; L387-N389 PolarHBondContact O-N 3.48Å; L387-E390 PolarHBondContact O-N 2.75Å; L387-E390 VanDerWaalsContact O-N 3.1Å; L387-L391 HydrophobicContact CD1-CD1 4.11Å; L387-L391 HydrophobicContact CD1-CD2 4.41Å; L387-L391 HydrophobicContact CD1-CG 4.04Å; L387-L391 HydrophobicContact CG-CD1 3.84Å; L387-L391 HydrophobicContact CG-CG 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.25Å; L387-L391 PolarHBondContact O-N 2.81Å
388	M	81.2	Confident	84.1	Confident	48 Å²	48	65.8 Å²	65.8	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-27.8	175.8	-74.3	-54.9	-51.9	0	0	114	P348 L351 N352 E384 Q386	P348-M388 HydrophobicContact CB-CE 4.49Å; L351-M388 HydrophobicContact CB-CG 4.32Å; L351-M388 HydrophobicContact CB-SD 3.57Å; L351-M388 VanDerWaalsContact CB-SD 3.57Å; L351-M388 HydrophobicContact CD1-CG 4.41Å; L351-M388 HydrophobicContact CD1-SD 3.64Å; L351-M388 HydrophobicContact CG-SD 4.25Å; N352-M388 WeakPolarHBondContact ND2-CE 3.45Å; E384-M388 WeakPolarHBondContact O-CB 3.48Å; E384-M388 WeakPolarHBondContact O-CG 3.44Å; E384-M388 PolarHBondContact O-N 3.48Å; Q386-M388 PolarHBondContact O-N 3.47Å
389	N	82.7	Confident	84.3	Confident	117 Å²	117	66.3 Å²	66.3	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-79.5	-35.6	173.6	-68	-20.3	0	0	0	112.5	K385 Q386 L387	K385-N389 VanDerWaalsContact O-CG 3.23Å; K385-N389 PolarHBondContact O-N 3.19Å; K385-N389 PolarHBondContact O-ND2 2.89Å; Q386-N389 WeakPolarHBondContact O-CB 3.41Å; Q386-N389 PolarHBondContact O-N 2.78Å; Q386-N389 VanDerWaalsContact O-N 3.09Å; L387-N389 PolarHBondContact O-N 3.48Å
390	E	82.7	Confident	84.6	Confident	67 Å²	67	65.8 Å²	65.8	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-70.1	-36	175.2	-79.1	179.5	-126.2	0	0	112.1	S381 Q386 L387 N392 N395	S381-E390 WeakPolarHBondContact CB-OE1 3.41Å; S381-E390 PolarHBondContact OG-OE1 2.68Å; S381-E390 PolarHBondContact OG-OE2 3.47Å; Q386-E390 PolarHBondContact O-N 3.11Å; L387-E390 PolarHBondContact O-N 2.75Å; L387-E390 VanDerWaalsContact O-N 3.1Å; E390-N392 VanDerWaalsContact C-N 3.35Å; E390-N392 PolarHBondContact O-N 3.32Å; E390-N392 PolarHBondContact O-ND2 2.96Å; E390-N395 VanDerWaalsContact O-CB 3.25Å; E390-N395 WeakPolarHBondContact O-CB 3.49Å; E390-N395 PolarHBondContact O-ND2 3.4Å
391	L	86.7	Confident	85.3	Confident	15 Å²	15	66.1 Å²	66.1	8%	0.079	33%	0.326	C	S	.	.			trans	-74.1	77.9	-178.1	-69.2	-178.8	0	0	0	113.1	P348 L351 W363 F379 L387 I421	P348-L391 HydrophobicContact CG-CD1 4.31Å; L351-L391 HydrophobicContact CD1-CD1 4.14Å; W363-L391 HydrophobicContact CH2-CD1 4.49Å; W363-L391 HydrophobicContact CH2-CD2 3.94Å; W363-L391 HydrophobicContact CZ2-CD1 3.99Å; W363-L391 HydrophobicContact CZ2-CD2 3.69Å; W363-L391 HydrophobicContact CZ2-CG 4.45Å; F379-L391 HydrophobicContact CD1-CD2 4.29Å; F379-L391 HydrophobicContact CD2-CD2 3.64Å; F379-L391 HydrophobicContact CE1-CD2 4.24Å; F379-L391 HydrophobicContact CE2-CD2 3.59Å; F379-L391 HydrophobicContact CG-CD2 4.03Å; F379-L391 HydrophobicContact CZ-CD2 3.93Å; L387-L391 HydrophobicContact CD1-CD1 4.11Å; L387-L391 HydrophobicContact CD1-CD2 4.41Å; L387-L391 HydrophobicContact CD1-CG 4.04Å; L387-L391 HydrophobicContact CG-CD1 3.84Å; L387-L391 HydrophobicContact CG-CG 4.18Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.25Å; L387-L391 PolarHBondContact O-N 2.81Å; L391-I421 HydrophobicContact CB-CD1 4.34Å
392	N	87.3	Confident	86	Confident	60 Å²	60	72.4 Å²	72.4	32%	0.321	35%	0.351	S	S	.	.	S	Bend	trans	-129.1	156.5	163.7	66.4	76.6	0	0	0	110.9	E390 S394 N395 I396	E390-N392 VanDerWaalsContact C-N 3.35Å; E390-N392 PolarHBondContact O-N 3.32Å; E390-N392 PolarHBondContact O-ND2 2.96Å; N392-S394 PolarHBondContact O-N 2.78Å; N392-S394 VanDerWaalsContact O-N 3.15Å; N392-S394 WeakPolarHBondContact OD1-CB 3.47Å; N392-S394 PolarHBondContact OD1-N 3Å; N392-N395 PolarHBondContact ND2-ND2 3.07Å; N392-N395 PolarHBondContact O-N 3.29Å; N392-N395 VanDerWaalsContact O-N 3.09Å; N392-N395 PolarHBondContact OD1-N 3.03Å; N392-I396 WeakPolarHBondContact O-CG1 3.32Å; N392-I396 PolarHBondContact O-N 3.12Å
393	Q	86.8	Confident	87.1	Confident	76 Å²	76	64.6 Å²	64.6	36%	0.355	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-33.1	-173.5	-162.6	67.8	33.7	0	0	113.4	Q397	Q393-Q397 VanDerWaalsContact O-CB 3.25Å; Q393-Q397 WeakPolarHBondContact O-CB 3.26Å; Q393-Q397 PolarHBondContact O-N 3.47Å
394	S	89.5	Confident	87.8	Confident	61 Å²	61	62.2 Å²	62.2	43%	0.427	31%	0.308	S	S	.	.	H	α-helix	trans	-69	-41	178	-172.9	0	0	0	0	112.1	N392 K398	N392-S394 PolarHBondContact O-N 2.78Å; N392-S394 VanDerWaalsContact O-N 3.15Å; N392-S394 WeakPolarHBondContact OD1-CB 3.47Å; N392-S394 PolarHBondContact OD1-N 3Å; S394-K398 WeakPolarHBondContact O-CB 3.41Å; S394-K398 WeakPolarHBondContact O-CD 3.3Å; S394-K398 WeakPolarHBondContact O-CG 3.29Å; S394-K398 PolarHBondContact O-N 3.03Å; S394-K398 WeakPolarHBondContact OG-CE 3.48Å; S394-K398 PolarHBondContact OG-NZ 2.9Å; S394-K398 VanDerWaalsContact OG-NZ 3.07Å
395	N	91.1	Very high	88.4	Confident	55 Å²	55	63.8 Å²	63.8	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-42.7	175.7	-76.8	-6.3	0	0	0	111.7	E390 N392 Q397 K398 T399	E390-N395 VanDerWaalsContact O-CB 3.25Å; E390-N395 WeakPolarHBondContact O-CB 3.49Å; E390-N395 PolarHBondContact O-ND2 3.4Å; N392-N395 PolarHBondContact ND2-ND2 3.07Å; N392-N395 PolarHBondContact O-N 3.29Å; N392-N395 VanDerWaalsContact O-N 3.09Å; N392-N395 PolarHBondContact OD1-N 3.03Å; N395-Q397 PolarHBondContact O-N 3.22Å; N395-K398 PolarHBondContact O-N 2.86Å; N395-T399 WeakPolarHBondContact O-CB 3.46Å; N395-T399 PolarHBondContact O-N 2.83Å; N395-T399 PolarHBondContact O-OG1 3.02Å
396	I	92.6	Very high	88.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-50.2	175.9	-66	168.9	0	0	0	110.2	W363 F379 N392 K398 T399 I400 L419 I421	W363-I396 HydrophobicContact CH2-CD1 3.84Å; W363-I396 HydrophobicContact CZ3-CD1 4.27Å; F379-I396 HydrophobicContact CE1-CG1 4.23Å; F379-I396 HydrophobicContact CZ-CG1 3.82Å; N392-I396 WeakPolarHBondContact O-CG1 3.32Å; N392-I396 PolarHBondContact O-N 3.12Å; I396-K398 PolarHBondContact O-N 3.07Å; I396-T399 PolarHBondContact O-N 2.91Å; I396-I400 HydrophobicContact CG2-CD1 3.81Å; I396-I400 WeakPolarHBondContact O-CG1 3.16Å; I396-I400 PolarHBondContact O-N 2.76Å; I396-L419 WeakPolarHBondContact CD1-O 3.42Å; I396-L419 HydrophobicContact CG2-CB 3.75Å; I396-L419 HydrophobicContact CG2-CD1 4.4Å; I396-I421 HydrophobicContact CD1-CD1 3.49Å; I396-I421 VanDerWaalsContact CD1-CD1 3.49Å; I396-I421 HydrophobicContact CD1-CG1 3.93Å
397	Q	93.2	Very high	89.3	Confident	56 Å²	56	54.7 Å²	54.7	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-55.6	-52.1	176.6	-176.5	64.2	27.9	0	0	111.5	Q393 N395 T399 I400 E401	Q393-Q397 VanDerWaalsContact O-CB 3.25Å; Q393-Q397 WeakPolarHBondContact O-CB 3.26Å; Q393-Q397 PolarHBondContact O-N 3.47Å; N395-Q397 PolarHBondContact O-N 3.22Å; Q397-T399 VanDerWaalsContact C-N 3.3Å; Q397-T399 PolarHBondContact O-N 3Å; Q397-I400 PolarHBondContact O-N 3.01Å; Q397-I400 VanDerWaalsContact O-N 3.16Å; Q397-E401 VanDerWaalsContact CG-OE1 3.3Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.27Å; Q397-E401 PolarHBondContact NE2-OE1 3.38Å; Q397-E401 WeakPolarHBondContact O-CG 3.25Å; Q397-E401 PolarHBondContact O-N 3.39Å
398	K	92.9	Very high	89.9	Confident	105 Å²	105	54.9 Å²	54.9	46%	0.457	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-34.7	178.3	-71.8	165.1	-174	160.6	0	113.3	S394 N395 I396 K402	S394-K398 WeakPolarHBondContact O-CB 3.41Å; S394-K398 WeakPolarHBondContact O-CD 3.3Å; S394-K398 WeakPolarHBondContact O-CG 3.29Å; S394-K398 PolarHBondContact O-N 3.03Å; S394-K398 WeakPolarHBondContact OG-CE 3.48Å; S394-K398 PolarHBondContact OG-NZ 2.9Å; S394-K398 VanDerWaalsContact OG-NZ 3.07Å; N395-K398 PolarHBondContact O-N 2.86Å; I396-K398 PolarHBondContact O-N 3.07Å; K398-K402 VanDerWaalsContact O-CG 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.3Å; K398-K402 PolarHBondContact O-N 3.21Å
399	T	93.1	Very high	90.5	Very high	24 Å²	24	54.9 Å²	54.9	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-38.5	176.6	-73.2	0	0	0	0	111.4	F370 P378 N395 I396 Q397	F370-T399 HydrophobicContact CE2-CG2 3.67Å; F370-T399 HydrophobicContact CZ-CG2 3.84Å; P378-T399 HydrophobicContact CB-CG2 3.93Å; N395-T399 WeakPolarHBondContact O-CB 3.46Å; N395-T399 PolarHBondContact O-N 2.83Å; N395-T399 PolarHBondContact O-OG1 3.02Å; I396-T399 PolarHBondContact O-N 2.91Å; Q397-T399 VanDerWaalsContact C-N 3.3Å; Q397-T399 PolarHBondContact O-N 3Å
400	I	94.3	Very high	91.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-72	-37.8	176.1	-64.5	165.4	0	0	0	111.2	I396 Q397 K402 L403 K412 L415 I416 L419	I396-I400 HydrophobicContact CG2-CD1 3.81Å; I396-I400 WeakPolarHBondContact O-CG1 3.16Å; I396-I400 PolarHBondContact O-N 2.76Å; Q397-I400 PolarHBondContact O-N 3.01Å; Q397-I400 VanDerWaalsContact O-N 3.16Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 3.26Å; I400-L403 HydrophobicContact CG2-CD1 4.35Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 VanDerWaalsContact O-CG 3.28Å; I400-L403 WeakPolarHBondContact O-CG 3.43Å; I400-L403 PolarHBondContact O-N 2.79Å; I400-L403 VanDerWaalsContact O-N 3.07Å; I400-K412 HydrophobicContact CG2-CB 3.7Å; I400-K412 HydrophobicContact CG2-CG 3.82Å; I400-L415 HydrophobicContact CD1-CB 3.91Å; I400-L415 HydrophobicContact CG1-CB 4.25Å; I400-L415 HydrophobicContact CG2-CB 4.3Å; I400-I416 HydrophobicContact CD1-CB 4.38Å; I400-I416 HydrophobicContact CD1-CG1 3.65Å; I400-I416 HydrophobicContact CG2-CG1 4.22Å; I400-L419 HydrophobicContact CD1-CD1 4.38Å
401	E	92.6	Very high	91.8	Very high	110 Å²	110	48.3 Å²	48.3	51%	0.514	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-33.3	176	-75.2	167.2	176.6	0	0	112.8	Q397 L403 G404	Q397-E401 VanDerWaalsContact CG-OE1 3.3Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.27Å; Q397-E401 PolarHBondContact NE2-OE1 3.38Å; Q397-E401 WeakPolarHBondContact O-CG 3.25Å; Q397-E401 PolarHBondContact O-N 3.39Å; E401-L403 PolarHBondContact O-N 3.04Å; E401-L403 VanDerWaalsContact O-N 3.14Å; E401-G404 PolarHBondContact O-N 3.04Å
402	K	92.2	Very high	92.3	Very high	145 Å²	145	49.2 Å²	49.2	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.5	173.9	-73.3	168.2	-173.3	174.6	0	114.3	K398 I400 G404	K398-K402 VanDerWaalsContact O-CG 3.31Å; K398-K402 WeakPolarHBondContact O-CG 3.3Å; K398-K402 PolarHBondContact O-N 3.21Å; I400-K402 VanDerWaalsContact C-N 3.28Å; I400-K402 PolarHBondContact O-N 3.26Å; K402-G404 PolarHBondContact O-N 3.25Å
403	L	92.2	Very high	92.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.3	170.1	-59.4	176.4	0	0	0	112.7	F370 T374 I400 E401 Y406 V407 K412 L415	F370-L403 HydrophobicContact CD2-CD1 4.25Å; F370-L403 HydrophobicContact CD2-CD2 4.31Å; F370-L403 HydrophobicContact CE2-CD1 4.2Å; F370-L403 HydrophobicContact CE2-CD2 3.73Å; F370-L403 HydrophobicContact CE2-CG 4.11Å; F370-L403 HydrophobicContact CZ-CD2 4.09Å; T374-L403 HydrophobicContact CG2-CD2 3.36Å; I400-L403 HydrophobicContact CG2-CD1 4.35Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 VanDerWaalsContact O-CG 3.28Å; I400-L403 WeakPolarHBondContact O-CG 3.43Å; I400-L403 PolarHBondContact O-N 2.79Å; I400-L403 VanDerWaalsContact O-N 3.07Å; E401-L403 PolarHBondContact O-N 3.04Å; E401-L403 VanDerWaalsContact O-N 3.14Å; L403-Y406 WeakPolarHBondContact O-CD1 3.47Å; L403-Y406 WeakPolarHBondContact O-CE1 3.33Å; L403-V407 HydrophobicContact CB-CB 4.14Å; L403-V407 HydrophobicContact CB-CG2 4.1Å; L403-V407 HydrophobicContact CD1-CG1 4.39Å; L403-K412 HydrophobicContact CB-CD 4.38Å; L403-K412 HydrophobicContact CB-CG 4.5Å; L403-K412 HydrophobicContact CD1-CG 4.39Å; L403-L415 HydrophobicContact CD1-CD1 3.68Å
404	G	90.4	Very high	93.2	Very high	25 Å²	25	46.6 Å²	46.6	26%	0.258	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-140.8	169.5	0	0	0	0	0	113.4	E401 K402 K412	E401-G404 PolarHBondContact O-N 3.04Å; K402-G404 PolarHBondContact O-N 3.25Å; G404-K412 PolarHBondContact O-NZ 3.34Å
405	N	89.8	Confident	93.6	Very high	114 Å²	114	43.7 Å²	43.7	61%	0.61	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	3.4	-173.2	-62.7	-1.5	0	0	0	113.9	V407	N405-V407 VanDerWaalsContact C-N 3.25Å
406	Y	89.4	Confident	93.9	Very high	54 Å²	54	42.9 Å²	42.9	21%	0.212	22%	0.215	C	C	.	.	S	Bend	trans	-90.1	8.8	174.8	70.9	-89.9	0	0	0	112.9	R185 I187 P188 L403	R185-Y406 PolarHBondContact NE-O 2.75Å; R185-Y406 VanDerWaalsContact NH2-CD2 3.31Å; R185-Y406 PolarHBondContact NH2-O 3.37Å; I187-Y406 HydrophobicContact CG1-CE2 4.28Å; I187-Y406 HydrophobicContact CG2-CE1 4.21Å; I187-Y406 HydrophobicContact CG2-CE2 4.06Å; P188-Y406 VanDerWaalsContact CD-CD1 3.46Å; P188-Y406 HydrophobicContact CG-CD1 3.85Å; P188-Y406 HydrophobicContact CG-CG 4.14Å; L403-Y406 WeakPolarHBondContact O-CD1 3.47Å; L403-Y406 WeakPolarHBondContact O-CE1 3.33Å
407	V	93	Very high	94.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	22%	0.224	C	C	.	.	S	Bend	trans	-138.4	135	173.9	174.6	0	0	0	0	107.3	E142 L373 L403 N405 C411 K412	E142-V407 WeakPolarHBondContact OE2-CA 3.4Å; L373-V407 HydrophobicContact CD1-CG1 4.46Å; L403-V407 HydrophobicContact CB-CB 4.14Å; L403-V407 HydrophobicContact CB-CG2 4.1Å; L403-V407 HydrophobicContact CD1-CG1 4.39Å; N405-V407 VanDerWaalsContact C-N 3.25Å; V407-C411 HydrophobicContact CG1-CB 3.54Å; V407-C411 VanDerWaalsContact CG1-SG 3.59Å; V407-K412 HydrophobicContact CG1-CG 4.1Å; V407-K412 WeakPolarHBondContact O-CE 3.36Å; V407-K412 PolarHBondContact O-NZ 2.89Å
408	T	93.8	Very high	94.3	Very high	14 Å²	14	42.6 Å²	42.6	9%	0.086	21%	0.211	C	C	.	.			trans	-63.6	155.8	-177.8	69.8	0	0	0	0	112.5	E142 I305 L410 C411 K412 F440	E142-T408 WeakPolarHBondContact OE1-CB 3.43Å; E142-T408 WeakPolarHBondContact OE1-CG2 3.41Å; E142-T408 PolarHBondContact OE1-OG1 3.43Å; E142-T408 PolarHBondContact OE2-N 2.83Å; I305-T408 HydrophobicContact CD1-CG2 4.17Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 3.11Å; T408-C411 PolarHBondContact O-N 2.85Å; T408-C411 WeakPolarHBondContact OG1-CB 3.31Å; T408-C411 PolarHBondContact OG1-N 3.42Å; T408-K412 VanDerWaalsContact O-CE 3.24Å; T408-K412 WeakPolarHBondContact O-CE 3.33Å; T408-K412 PolarHBondContact O-N 3.41Å; T408-K412 VanDerWaalsContact O-N 3.16Å; T408-F440 HydrophobicContact CG2-CE1 4.33Å
409	S	94.3	Very high	94.4	Very high	47 Å²	47	37.7 Å²	37.7	33%	0.329	19%	0.19	S	C	.	.	H	α-helix	trans	-60.5	-38.2	171.9	-58.3	0	0	0	0	112.1	C411 K412 E413	S409-C411 VanDerWaalsContact C-N 3.35Å; S409-C411 PolarHBondContact O-N 2.84Å; S409-K412 PolarHBondContact O-N 3.26Å; S409-E413 WeakPolarHBondContact O-CB 3.49Å; S409-E413 WeakPolarHBondContact O-CG 3.27Å; S409-E413 PolarHBondContact O-N 3.24Å
410	L	95.9	Very high	94.5	Very high	47 Å²	47	37.6 Å²	37.6	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-43	176.2	-58.5	178	0	0	0	111.9	T408 E413 C414 P436 W437 F440	T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 3.11Å; L410-E413 PolarHBondContact O-N 3.48Å; L410-C414 WeakPolarHBondContact O-CB 3.46Å; L410-C414 PolarHBondContact O-N 3.45Å; L410-P436 HydrophobicContact CD2-CB 4.21Å; L410-W437 HydrophobicContact CB-CB 3.91Å; L410-W437 HydrophobicContact CB-CG 4.42Å; L410-F440 HydrophobicContact CD1-CB 3.97Å; L410-F440 HydrophobicContact CD1-CD2 3.63Å; L410-F440 HydrophobicContact CD1-CE2 4.27Å; L410-F440 HydrophobicContact CD1-CG 3.84Å
411	C	96.9	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-46.4	175.6	-174.5	0	0	0	0	111.9	E142 L373 V407 T408 S409 E413 C414 L415 W437	E142-C411 WeakPolarHBondContact OE1-CB 3.41Å; L373-C411 WeakPolarHBondContact CD1-SG 3.32Å; V407-C411 HydrophobicContact CG1-CB 3.54Å; V407-C411 VanDerWaalsContact CG1-SG 3.59Å; T408-C411 PolarHBondContact O-N 2.85Å; T408-C411 WeakPolarHBondContact OG1-CB 3.31Å; T408-C411 PolarHBondContact OG1-N 3.42Å; S409-C411 VanDerWaalsContact C-N 3.35Å; S409-C411 PolarHBondContact O-N 2.84Å; C411-E413 PolarHBondContact O-N 3.25Å; C411-C414 PolarHBondContact O-N 3.2Å; C411-L415 WeakPolarHBondContact O-CB 3.34Å; C411-L415 PolarHBondContact O-N 3.39Å; C411-W437 HydrophobicContact CB-CD2 4.13Å; C411-W437 HydrophobicContact CB-CG 4.15Å; C411-W437 HydrophobicContact CB-CZ2 4.2Å; C411-W437 VanDerWaalsContact CB-NE1 3.33Å; C411-W437 VanDerWaalsContact SG-CE2 3.51Å; C411-W437 WeakPolarHBondContact SG-CZ2 3.45Å
412	K	97.3	Very high	94.4	Very high	33 Å²	33	37.6 Å²	37.6	14%	0.143	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-44.7	176.8	-71.9	174.1	-67.3	-168.1	0	111.3	I400 L403 G404 V407 T408 S409 C414 L415 I416	I400-K412 HydrophobicContact CG2-CB 3.7Å; I400-K412 HydrophobicContact CG2-CG 3.82Å; L403-K412 HydrophobicContact CB-CD 4.38Å; L403-K412 HydrophobicContact CB-CG 4.5Å; L403-K412 HydrophobicContact CD1-CG 4.39Å; G404-K412 PolarHBondContact O-NZ 3.34Å; V407-K412 HydrophobicContact CG1-CG 4.1Å; V407-K412 WeakPolarHBondContact O-CE 3.36Å; V407-K412 PolarHBondContact O-NZ 2.89Å; T408-K412 VanDerWaalsContact O-CE 3.24Å; T408-K412 WeakPolarHBondContact O-CE 3.33Å; T408-K412 PolarHBondContact O-N 3.41Å; T408-K412 VanDerWaalsContact O-N 3.16Å; S409-K412 PolarHBondContact O-N 3.26Å; K412-C414 VanDerWaalsContact C-N 3.34Å; K412-C414 PolarHBondContact O-N 2.96Å; K412-L415 PolarHBondContact O-N 3.29Å; K412-I416 WeakPolarHBondContact O-CD1 3.47Å; K412-I416 VanDerWaalsContact O-CG1 3.26Å; K412-I416 WeakPolarHBondContact O-CG1 3.4Å; K412-I416 PolarHBondContact O-N 3.19Å
413	E	95.9	Very high	94.4	Very high	81 Å²	81	32 Å²	32	38%	0.379	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-36.3	175.1	-73.5	168.6	-154.9	0	0	113.2	S409 L410 C411 R417	S409-E413 WeakPolarHBondContact O-CB 3.49Å; S409-E413 WeakPolarHBondContact O-CG 3.27Å; S409-E413 PolarHBondContact O-N 3.24Å; L410-E413 PolarHBondContact O-N 3.48Å; C411-E413 PolarHBondContact O-N 3.25Å; E413-R417 WeakPolarHBondContact O-CG 3.21Å; E413-R417 PolarHBondContact O-N 3.05Å; E413-R417 PolarHBondContact O-NE 3.36Å
414	C	97.6	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-44.7	174.7	-171.1	0	0	0	0	111.8	L410 C411 K412 I416 R417 L418 L432 W437	L410-C414 WeakPolarHBondContact O-CB 3.46Å; L410-C414 PolarHBondContact O-N 3.45Å; C411-C414 PolarHBondContact O-N 3.2Å; K412-C414 VanDerWaalsContact C-N 3.34Å; K412-C414 PolarHBondContact O-N 2.96Å; C414-I416 VanDerWaalsContact C-N 3.3Å; C414-I416 PolarHBondContact O-N 2.67Å; C414-R417 CarbonylContact O-C 3.59Å; C414-R417 PolarHBondContact O-N 2.99Å; C414-L418 WeakPolarHBondContact O-CG 3.43Å; C414-L418 PolarHBondContact O-N 2.99Å; C414-L432 VanDerWaalsContact SG-CD1 3.51Å; C414-W437 HydrophobicContact CB-CB 4.07Å; C414-W437 HydrophobicContact CB-CD2 4.3Å; C414-W437 HydrophobicContact CB-CE3 3.79Å; C414-W437 HydrophobicContact CB-CG 4.43Å
415	L	97.5	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-42.5	173.7	-83.7	170.6	0	0	0	112.3	G366 V369 F370 L373 I400 L403 C411 K412 R417 L418 L419	G366-L415 WeakPolarHBondContact O-CD2 3.42Å; V369-L415 HydrophobicContact CB-CD2 3.88Å; V369-L415 HydrophobicContact CG1-CD1 4.43Å; V369-L415 HydrophobicContact CG1-CD2 3.68Å; V369-L415 HydrophobicContact CG1-CG 4.08Å; F370-L415 HydrophobicContact CB-CD2 4.44Å; L373-L415 HydrophobicContact CD1-CD1 4.17Å; I400-L415 HydrophobicContact CD1-CB 3.91Å; I400-L415 HydrophobicContact CG1-CB 4.25Å; I400-L415 HydrophobicContact CG2-CB 4.3Å; L403-L415 HydrophobicContact CD1-CD1 3.68Å; C411-L415 WeakPolarHBondContact O-CB 3.34Å; C411-L415 PolarHBondContact O-N 3.39Å; K412-L415 PolarHBondContact O-N 3.29Å; L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 3.32Å; L415-L418 PolarHBondContact O-N 3.27Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 2.94Å
416	I	96.5	Very high	94.8	Very high	39 Å²	39	37.7 Å²	37.7	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-39.5	176.5	-69.3	160.5	0	0	0	111.3	I400 K412 C414 L419 T420	I400-I416 HydrophobicContact CD1-CB 4.38Å; I400-I416 HydrophobicContact CD1-CG1 3.65Å; I400-I416 HydrophobicContact CG2-CG1 4.22Å; K412-I416 WeakPolarHBondContact O-CD1 3.47Å; K412-I416 VanDerWaalsContact O-CG1 3.26Å; K412-I416 WeakPolarHBondContact O-CG1 3.4Å; K412-I416 PolarHBondContact O-N 3.19Å; C414-I416 VanDerWaalsContact C-N 3.3Å; C414-I416 PolarHBondContact O-N 2.67Å; I416-L419 CarbonylContact O-C 3.54Å; I416-T420 PolarHBondContact O-N 2.79Å; I416-T420 VanDerWaalsContact O-N 3.16Å; I416-T420 PolarHBondContact O-OG1 2.85Å
417	R	96.8	Very high	95.1	Very high	50 Å²	50	35.8 Å²	35.8	19%	0.189	19%	0.187	C	C	.	.	H	α-helix	trans	-85.7	-19	-177	-65.7	174.5	-68.8	121	-2.9	114.1	E413 C414 L415 T420 L427 D435	E413-R417 WeakPolarHBondContact O-CG 3.21Å; E413-R417 PolarHBondContact O-N 3.05Å; E413-R417 PolarHBondContact O-NE 3.36Å; C414-R417 CarbonylContact O-C 3.59Å; C414-R417 PolarHBondContact O-N 2.99Å; L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 3.32Å; R417-T420 WeakPolarHBondContact CA-OG1 3.46Å; R417-T420 PolarHBondContact O-OG1 3.47Å; R417-L427 HydrophobicContact CB-CD1 3.75Å; R417-L427 HydrophobicContact CB-CG 3.9Å; R417-L427 PolarHBondContact O-N 2.68Å; R417-L427 VanDerWaalsContact O-N 3.11Å; R417-D435 IonicContact CZ-OD2 3.79Å; R417-D435 IonicContact NH1-OD2 2.96Å; R417-D435 PolarHBondContact NH1-OD2 2.84Å; R417-D435 IonicContact NH2-OD1 3.12Å; R417-D435 PolarHBondContact NH2-OD1 2.94Å; R417-D435 IonicContact NH2-OD2 3.77Å; R417-D435 PolarHBondContact NH2-OD2 2.71Å
418	L	97.3	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-78.3	-36.8	166.1	-70.6	172.7	0	0	0	111.6	L362 C414 L415 R426 L427 L432	L362-L418 HydrophobicContact CB-CD2 4.2Å; L362-L418 HydrophobicContact CD1-CD2 4.29Å; C414-L418 WeakPolarHBondContact O-CG 3.43Å; C414-L418 PolarHBondContact O-N 2.99Å; L415-L418 PolarHBondContact O-N 3.27Å; L418-R426 WeakPolarHBondContact O-CD 3.49Å; L418-R426 VanDerWaalsContact O-CG 3.26Å; L418-R426 WeakPolarHBondContact O-CG 3.23Å; L418-L427 HydrophobicContact CD2-CB 4.14Å; L418-L427 HydrophobicContact CD2-CD1 3.94Å; L418-L427 HydrophobicContact CG-CD1 4.04Å; L418-L432 HydrophobicContact CD1-CD1 4.4Å; L418-L432 HydrophobicContact CD2-CD1 4.28Å; L418-L432 HydrophobicContact CD2-CD2 4.07Å
419	L	96.2	Very high	95.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-96.8	23.5	179.9	-59.2	179.1	0	0	0	113	W363 I367 I396 I400 L415 I416 I421	W363-L419 HydrophobicContact CD2-CD2 3.96Å; W363-L419 HydrophobicContact CE3-CD2 4.14Å; W363-L419 HydrophobicContact CG-CD2 4.4Å; W363-L419 HydrophobicContact CZ2-CD2 4.45Å; W363-L419 HydrophobicContact CZ3-CB 4.31Å; W363-L419 HydrophobicContact CZ3-CD2 4.47Å; W363-L419 VanDerWaalsContact CZ3-O 3.29Å; W363-L419 WeakPolarHBondContact CZ3-O 3.29Å; I367-L419 HydrophobicContact CD1-CD1 4.44Å; I367-L419 HydrophobicContact CD1-CD2 3.68Å; I367-L419 HydrophobicContact CG1-CD2 4.03Å; I396-L419 WeakPolarHBondContact CD1-O 3.42Å; I396-L419 HydrophobicContact CG2-CB 3.75Å; I396-L419 HydrophobicContact CG2-CD1 4.4Å; I400-L419 HydrophobicContact CD1-CD1 4.38Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 2.94Å; I416-L419 CarbonylContact O-C 3.54Å; L419-I421 PolarHBondContact O-N 3.47Å
420	T	94.9	Very high	95.5	Very high	22 Å²	22	38.1 Å²	38.1	14%	0.135	20%	0.197	C	C	.	.			trans	-60.4	125.1	168	-51.7	0	0	0	0	109.6	I416 R417 D422 R426	I416-T420 PolarHBondContact O-N 2.79Å; I416-T420 VanDerWaalsContact O-N 3.16Å; I416-T420 PolarHBondContact O-OG1 2.85Å; R417-T420 WeakPolarHBondContact CA-OG1 3.46Å; R417-T420 PolarHBondContact O-OG1 3.47Å; T420-D422 PolarHBondContact O-N 3.21Å; T420-R426 PolarHBondContact O-NE 3.4Å; T420-R426 PolarHBondContact O-NH2 3.33Å
421	I	92.7	Very high	95.6	Very high	50 Å²	50	39.9 Å²	39.9	26%	0.256	20%	0.204	S	C	.	.	S	Bend	trans	-56.8	-50.9	178.8	-66.7	-67.8	0	0	0	111.8	P348 W363 L391 I396 L419 P423 R426	P348-I421 HydrophobicContact CG-CD1 3.8Å; W363-I421 HydrophobicContact CH2-CD1 3.96Å; W363-I421 HydrophobicContact CZ3-CD1 4.14Å; L391-I421 HydrophobicContact CB-CD1 4.34Å; I396-I421 HydrophobicContact CD1-CD1 3.49Å; I396-I421 VanDerWaalsContact CD1-CD1 3.49Å; I396-I421 HydrophobicContact CD1-CG1 3.93Å; L419-I421 PolarHBondContact O-N 3.47Å; I421-P423 WeakPolarHBondContact O-CD 3.43Å; I421-R426 PolarHBondContact O-NH2 2.95Å
422	D	91.1	Very high	95.6	Very high	62 Å²	62	39.9 Å²	39.9	33%	0.332	20%	0.204	S	C	.	.	S	Bend	trans	-77.3	117.5	-179.9	-173.9	-18.7	0	0	0	110.6	T420 A424 Y425 R426	T420-D422 PolarHBondContact O-N 3.21Å; D422-A424 PolarHBondContact O-N 3.41Å; D422-A424 VanDerWaalsContact OD1-CB 3.3Å; D422-A424 WeakPolarHBondContact OD1-CB 3.33Å; D422-A424 PolarHBondContact OD1-N 3.12Å; D422-Y425 HydrophobicContact CB-CD2 3.98Å; D422-Y425 PolarHBondContact O-N 3.01Å; D422-Y425 VanDerWaalsContact O-N 3.16Å; D422-R426 PolarHBondContact O-N 3.27Å
423	P	92.7	Very high	95.5	Very high	28 Å²	28	41.1 Å²	41.1	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.6	179.1	25.8	-34.9	0	0	0	113.4	E349 Q359 I421 Y425 R426	E349-P423 HydrophobicContact CB-CG 4.49Å; E349-P423 HydrophobicContact CG-CG 4.25Å; Q359-P423 HydrophobicContact CB-CB 3.76Å; Q359-P423 HydrophobicContact CG-CB 4.11Å; Q359-P423 WeakPolarHBondContact CG-O 3.43Å; I421-P423 WeakPolarHBondContact O-CD 3.43Å; P423-Y425 VanDerWaalsContact C-N 3.26Å; P423-Y425 PolarHBondContact O-N 3.36Å; P423-R426 PolarHBondContact O-N 3.28Å
424	A	92	Very high	95.4	Very high	75 Å²	75	42.7 Å²	42.7	62%	0.62	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25	178.1	0	0	0	0	0	113.5	D422	D422-A424 PolarHBondContact O-N 3.41Å; D422-A424 VanDerWaalsContact OD1-CB 3.3Å; D422-A424 WeakPolarHBondContact OD1-CB 3.33Å; D422-A424 PolarHBondContact OD1-N 3.12Å
425	Y	93.7	Very high	95.3	Very high	180 Å²	180	42.9 Å²	42.9	71%	0.706	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-1.8	177.7	-60.7	-85.6	0	0	0	113	D422 P423	D422-Y425 HydrophobicContact CB-CD2 3.98Å; D422-Y425 PolarHBondContact O-N 3.01Å; D422-Y425 VanDerWaalsContact O-N 3.16Å; P423-Y425 VanDerWaalsContact C-N 3.26Å; P423-Y425 PolarHBondContact O-N 3.36Å
426	R	95.9	Very high	95.1	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.023	24%	0.241	C	C	.	.	S	Bend	trans	-76.4	146.6	175.5	-161.6	-176.5	-59.3	145.6	5.1	110.3	E349 Q359 L418 T420 I421 D422 P423	E349-R426 IonicContact OE1-CZ 3.26Å; E349-R426 IonicContact OE1-NH1 2.77Å; E349-R426 PolarHBondContact OE1-NH1 3.25Å; E349-R426 IonicContact OE1-NH2 2.64Å; E349-R426 IonicContact OE2-CZ 2.67Å; E349-R426 IonicContact OE2-NH1 2.79Å; E349-R426 PolarHBondContact OE2-NH1 3.16Å; E349-R426 IonicContact OE2-NH2 2.72Å; E349-R426 PolarHBondContact OE2-NH2 3.37Å; Q359-R426 VanDerWaalsContact C-NH1 3.33Å; Q359-R426 WeakPolarHBondContact O-CD 3.26Å; Q359-R426 PolarHBondContact O-NH1 3.41Å; L418-R426 WeakPolarHBondContact O-CD 3.49Å; L418-R426 VanDerWaalsContact O-CG 3.26Å; L418-R426 WeakPolarHBondContact O-CG 3.23Å; T420-R426 PolarHBondContact O-NE 3.4Å; T420-R426 PolarHBondContact O-NH2 3.33Å; I421-R426 PolarHBondContact O-NH2 2.95Å; D422-R426 PolarHBondContact O-N 3.27Å; P423-R426 PolarHBondContact O-N 3.28Å
427	L	96	Very high	95.1	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-53.4	141.6	177.2	-76.4	167.2	0	0	0	112.7	L362 R417 L418 Q431 L432	L362-L427 WeakPolarHBondContact CG-O 3.38Å; R417-L427 HydrophobicContact CB-CD1 3.75Å; R417-L427 HydrophobicContact CB-CG 3.9Å; R417-L427 PolarHBondContact O-N 2.68Å; R417-L427 VanDerWaalsContact O-N 3.11Å; L418-L427 HydrophobicContact CD2-CB 4.14Å; L418-L427 HydrophobicContact CD2-CD1 3.94Å; L418-L427 HydrophobicContact CG-CD1 4.04Å; L427-Q431 HydrophobicContact CD2-CB 3.62Å; L427-L432 HydrophobicContact CD1-CD1 4.35Å
428	T	96.9	Very high	94.9	Very high	45 Å²	45	41.6 Å²	41.6	28%	0.276	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-85.7	158.3	158.9	64.4	0	0	0	0	110.3	N430 Q431 L432	T428-N430 PolarHBondContact O-N 3.35Å; T428-Q431 PolarHBondContact O-N 2.9Å; T428-Q431 VanDerWaalsContact O-N 3.11Å; T428-Q431 VanDerWaalsContact OG1-CD 3.3Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.26Å; T428-Q431 PolarHBondContact OG1-N 3.42Å; T428-Q431 PolarHBondContact OG1-OE1 3.45Å; T428-L432 PolarHBondContact O-N 3.11Å
429	A	97.2	Very high	94.4	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-33.2	175.4	0	0	0	0	0	113.3	L156 L362 L433	L156-A429 HydrophobicContact CB-CB 3.92Å; L362-A429 HydrophobicContact CD1-CB 4.3Å; L362-A429 HydrophobicContact CD2-CB 4.33Å; A429-L433 WeakPolarHBondContact O-CG 3.3Å; A429-L433 PolarHBondContact O-N 2.89Å; A429-L433 VanDerWaalsContact O-N 3.16Å
430	N	95.7	Very high	93.9	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	27%	0.268	S	S	.	.	H	α-helix	trans	-67.9	-40.5	175.6	-65.7	-32.1	0	0	0	112.3	S157 N161 T428 L433	S157-N430 WeakPolarHBondContact CB-OD1 3.17Å; S157-N430 PolarHBondContact OG-OD1 3.02Å; N161-N430 PolarHBondContact OD1-ND2 3.32Å; T428-N430 PolarHBondContact O-N 3.35Å; N430-L433 PolarHBondContact O-N 3.26Å
431	Q	96.8	Very high	93.1	Very high	84 Å²	84	49.2 Å²	49.2	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-70.1	-36.7	176.3	-71.5	160.5	-46	0	0	111.8	L427 T428 L433 I434 D435	L427-Q431 HydrophobicContact CD2-CB 3.62Å; T428-Q431 PolarHBondContact O-N 2.9Å; T428-Q431 VanDerWaalsContact O-N 3.11Å; T428-Q431 VanDerWaalsContact OG1-CD 3.3Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.26Å; T428-Q431 PolarHBondContact OG1-N 3.42Å; T428-Q431 PolarHBondContact OG1-OE1 3.45Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.39Å; Q431-I434 VanDerWaalsContact O-CG1 3.25Å; Q431-I434 WeakPolarHBondContact O-CG1 3.31Å; Q431-I434 PolarHBondContact O-N 3.01Å; Q431-D435 PolarHBondContact O-N 2.99Å
432	L	97.1	Very high	92.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-39.6	175.2	177.8	61.3	0	0	0	111.8	V149 A153 L362 L365 C414 L418 L427 T428 I434 D435 L438	V149-L432 HydrophobicContact CG1-CD2 4.1Å; A153-L432 HydrophobicContact CB-CD2 3.71Å; A153-L432 HydrophobicContact CB-CG 4.07Å; L362-L432 HydrophobicContact CD1-CD2 3.96Å; L365-L432 HydrophobicContact CD2-CD2 3.53Å; C414-L432 VanDerWaalsContact SG-CD1 3.51Å; L418-L432 HydrophobicContact CD1-CD1 4.4Å; L418-L432 HydrophobicContact CD2-CD1 4.28Å; L418-L432 HydrophobicContact CD2-CD2 4.07Å; L427-L432 HydrophobicContact CD1-CD1 4.35Å; T428-L432 PolarHBondContact O-N 3.11Å; L432-I434 PolarHBondContact O-N 2.73Å; L432-D435 HydrophobicContact CD1-CB 4.43Å; L432-D435 WeakPolarHBondContact O-CB 3.25Å; L432-D435 PolarHBondContact O-N 2.88Å; L432-L438 HydrophobicContact CD1-CD1 3.9Å; L432-L438 HydrophobicContact CD1-CD2 4.44Å; L432-L438 HydrophobicContact CG-CD2 4.26Å; L432-L438 WeakPolarHBondContact O-CD2 3.32Å
433	L	95.1	Very high	91	Very high	58 Å²	58	48.2 Å²	48.2	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-25.1	179.7	-77.5	166.7	0	0	0	114.5	A153 A429 N430 Q431	A153-L433 HydrophobicContact CB-CD2 3.81Å; A153-L433 HydrophobicContact CB-CG 3.93Å; A429-L433 WeakPolarHBondContact O-CG 3.3Å; A429-L433 PolarHBondContact O-N 2.89Å; A429-L433 VanDerWaalsContact O-N 3.16Å; N430-L433 PolarHBondContact O-N 3.26Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.39Å
434	I	94.1	Very high	89.7	Confident	114 Å²	114	51.7 Å²	51.7	59%	0.585	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	14.6	176.6	63.6	171.7	0	0	0	112.3	Q431 L432	Q431-I434 VanDerWaalsContact O-CG1 3.25Å; Q431-I434 WeakPolarHBondContact O-CG1 3.31Å; Q431-I434 PolarHBondContact O-N 3.01Å; L432-I434 PolarHBondContact O-N 2.73Å
435	D	95.3	Very high	87.8	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.027	28%	0.278	C	S	.	.			trans	-70.3	138.3	-176.9	-164.2	-100.8	0	0	0	112	R417 Q431 L432 W437 L438 S439	R417-D435 IonicContact CZ-OD2 3.79Å; R417-D435 IonicContact NH1-OD2 2.96Å; R417-D435 PolarHBondContact NH1-OD2 2.84Å; R417-D435 IonicContact NH2-OD1 3.12Å; R417-D435 PolarHBondContact NH2-OD1 2.94Å; R417-D435 IonicContact NH2-OD2 3.77Å; R417-D435 PolarHBondContact NH2-OD2 2.71Å; Q431-D435 PolarHBondContact O-N 2.99Å; L432-D435 HydrophobicContact CD1-CB 4.43Å; L432-D435 WeakPolarHBondContact O-CB 3.25Å; L432-D435 PolarHBondContact O-N 2.88Å; D435-W437 PolarHBondContact O-N 3.46Å; D435-W437 VanDerWaalsContact O-N 3.12Å; D435-W437 VanDerWaalsContact OD1-CB 3.28Å; D435-W437 WeakPolarHBondContact OD1-CB 3.36Å; D435-W437 PolarHBondContact OD1-N 2.78Å; D435-L438 HydrophobicContact CB-CB 4.49Å; D435-L438 HydrophobicContact CB-CD1 4.44Å; D435-L438 PolarHBondContact O-N 2.92Å; D435-S439 PolarHBondContact O-N 2.96Å
436	P	94.2	Very high	85.8	Confident	60 Å²	60	49.4 Å²	49.4	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-52.1	-36	176.6	-29.8	37	0	0	0	113.9	L410 S439 F440	L410-P436 HydrophobicContact CD2-CB 4.21Å; P436-S439 PolarHBondContact O-N 2.84Å; P436-F440 WeakPolarHBondContact O-CB 3.18Å; P436-F440 PolarHBondContact O-N 2.9Å
437	W	95.3	Very high	83	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-42.1	176	177.7	48	0	0	0	112.6	E142 V145 V146 V149 V369 L410 C411 C414 D435 F440	E142-W437 HydrophobicContact CG-CZ2 4.19Å; E142-W437 PolarHBondContact OE1-NE1 3.34Å; V145-W437 HydrophobicContact CG1-CH2 3.97Å; V145-W437 HydrophobicContact CG1-CZ2 4.23Å; V146-W437 HydrophobicContact CG2-CD2 3.92Å; V146-W437 HydrophobicContact CG2-CG 4.41Å; V146-W437 HydrophobicContact CG2-CH2 4.11Å; V146-W437 HydrophobicContact CG2-CZ2 3.4Å; V146-W437 VanDerWaalsContact CG2-CZ2 3.4Å; V149-W437 HydrophobicContact CG1-CZ3 4.24Å; V149-W437 HydrophobicContact CG2-CH2 4.17Å; V149-W437 HydrophobicContact CG2-CZ3 4.37Å; V369-W437 HydrophobicContact CG1-CH2 3.58Å; V369-W437 HydrophobicContact CG1-CZ2 4.45Å; V369-W437 HydrophobicContact CG1-CZ3 4.1Å; V369-W437 HydrophobicContact CG2-CH2 4.28Å; V369-W437 HydrophobicContact CG2-CZ3 4.42Å; L410-W437 HydrophobicContact CB-CB 3.91Å; L410-W437 HydrophobicContact CB-CG 4.42Å; C411-W437 HydrophobicContact CB-CD2 4.13Å; C411-W437 HydrophobicContact CB-CG 4.15Å; C411-W437 HydrophobicContact CB-CZ2 4.2Å; C411-W437 VanDerWaalsContact CB-NE1 3.33Å; C411-W437 VanDerWaalsContact SG-CE2 3.51Å; C411-W437 WeakPolarHBondContact SG-CZ2 3.45Å; C414-W437 HydrophobicContact CB-CB 4.07Å; C414-W437 HydrophobicContact CB-CD2 4.3Å; C414-W437 HydrophobicContact CB-CE3 3.79Å; C414-W437 HydrophobicContact CB-CG 4.43Å; D435-W437 PolarHBondContact O-N 3.46Å; D435-W437 VanDerWaalsContact O-N 3.12Å; D435-W437 VanDerWaalsContact OD1-CB 3.28Å; D435-W437 WeakPolarHBondContact OD1-CB 3.36Å; D435-W437 PolarHBondContact OD1-N 2.78Å; W437-F440 WeakPolarHBondContact O-CB 3.37Å; W437-F440 PolarHBondContact O-N 3.25Å
438	L	93.2	Very high	80.1	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-40.7	176.5	-90.6	68.5	0	0	0	110.2	V146 V149 K150 L432 D435 F440	V146-L438 HydrophobicContact CG1-CG 4.41Å; V149-L438 HydrophobicContact CG1-CD1 4.07Å; V149-L438 HydrophobicContact CG1-CD2 4.19Å; K150-L438 HydrophobicContact CB-CD2 4.36Å; K150-L438 WeakPolarHBondContact CE-O 3.48Å; K150-L438 HydrophobicContact CG-CB 4.24Å; K150-L438 HydrophobicContact CG-CD2 3.56Å; K150-L438 HydrophobicContact CG-CG 3.83Å; K150-L438 PolarHBondContact NZ-O 3.41Å; L432-L438 HydrophobicContact CD1-CD1 3.9Å; L432-L438 HydrophobicContact CD1-CD2 4.44Å; L432-L438 HydrophobicContact CG-CD2 4.26Å; L432-L438 WeakPolarHBondContact O-CD2 3.32Å; D435-L438 HydrophobicContact CB-CB 4.49Å; D435-L438 HydrophobicContact CB-CD1 4.44Å; D435-L438 PolarHBondContact O-N 2.92Å; L438-F440 PolarHBondContact O-N 2.97Å
439	S	87	Confident	77.3	Confident	88 Å²	88	63.2 Å²	63.2	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-66.6	-19.4	176.6	-64.8	0	0	0	0	114.4	D435 P436	D435-S439 PolarHBondContact O-N 2.96Å; P436-S439 PolarHBondContact O-N 2.84Å
440	F	84.2	Confident	74.6	Confident	77 Å²	77	66.1 Å²	66.1	34%	0.338	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-36.2	-174.6	-170.5	-108.6	0	0	0	114.3	L299 V307 T408 L410 P436 W437 L438	L299-F440 HydrophobicContact CD1-CE2 4.47Å; V307-F440 HydrophobicContact CG2-CE1 3.75Å; V307-F440 HydrophobicContact CG2-CZ 4.01Å; T408-F440 HydrophobicContact CG2-CE1 4.33Å; L410-F440 HydrophobicContact CD1-CB 3.97Å; L410-F440 HydrophobicContact CD1-CD2 3.63Å; L410-F440 HydrophobicContact CD1-CE2 4.27Å; L410-F440 HydrophobicContact CD1-CG 3.84Å; P436-F440 WeakPolarHBondContact O-CB 3.18Å; P436-F440 PolarHBondContact O-N 2.9Å; W437-F440 WeakPolarHBondContact O-CB 3.37Å; W437-F440 PolarHBondContact O-N 3.25Å; L438-F440 PolarHBondContact O-N 2.97Å
441	Y	79.5	Confident	71.6	Confident	19 Å²	19	67.4 Å²	67.4	8%	0.075	36%	0.362	C	S	.	.	S	Bend	trans	-101.1	135	-179.8	-67.1	-82.3	0	0	0	112.4	E142 Y143 V146 K150 V307	E142-Y441 HydrophobicContact CB-CE2 4.22Å; E142-Y441 HydrophobicContact CG-CE2 3.92Å; Y143-Y441 VanDerWaalsContact CB-CD1 3.44Å; V146-Y441 HydrophobicContact CB-CD2 4.14Å; V146-Y441 HydrophobicContact CG1-CD2 4.34Å; V146-Y441 HydrophobicContact CG2-CD2 3.79Å; V146-Y441 HydrophobicContact CG2-CE2 4.26Å; K150-Y441 PolarHBondContact NZ-O 2.93Å; V307-Y441 HydrophobicContact CG1-CD1 4.17Å; V307-Y441 HydrophobicContact CG1-CE1 3.93Å; V307-Y441 HydrophobicContact CG2-CE1 4.47Å
442	P	71.1	Confident	68.6	Low	47 Å²	47	68.7 Å²	68.7	31%	0.305	37%	0.371	S	S	.	.			trans	-66.7	137.4	175.8	30.9	-35.4	0	0	0	110.2	Y311	Y311-P442 HydrophobicContact CD1-CB 4.21Å; Y311-P442 HydrophobicContact CD1-CG 4.33Å; Y311-P442 HydrophobicContact CE1-CB 3.65Å; Y311-P442 HydrophobicContact CE1-CG 4.01Å; Y311-P442 HydrophobicContact CE2-CG 4.49Å
443	V	68.7	Low	65.9	Low	45 Å²	45	73.1 Å²	73.1	27%	0.273	40%	0.395	S	S	.	.			trans	-142.8	142.3	176.9	176	0	0	0	0	107.7	A147 K150 P312 N445	A147-V443 HydrophobicContact CB-CG2 4.43Å; K150-V443 HydrophobicContact CD-CB 4.14Å; K150-V443 HydrophobicContact CD-CG1 4.37Å; K150-V443 HydrophobicContact CD-CG2 3.79Å; K150-V443 VanDerWaalsContact NZ-CG2 3.31Å; P312-V443 HydrophobicContact CG-CG1 4.44Å; P312-V443 HydrophobicContact CG-CG2 4.19Å; V443-N445 PolarHBondContact O-N 3.32Å
444	Y	64.5	Low	63.2	Low	101 Å²	101	74.2 Å²	74.2	40%	0.396	40%	0.401	S	S	.	.			trans	-50.9	128.8	178	-66.5	-89.6	0	0	0	112	Y311 P312 E314 S446	Y311-Y444 HydrophobicContact CD1-CE2 4.39Å; P312-Y444 WeakPolarHBondContact O-CE2 3.34Å; E314-Y444 HydrophobicContact CG-CD1 4.43Å; E314-Y444 HydrophobicContact CG-CD2 4.23Å; E314-Y444 HydrophobicContact CG-CE1 3.77Å; E314-Y444 HydrophobicContact CG-CE2 3.58Å; E314-Y444 VanDerWaalsContact CG-OH 3.24Å; E314-Y444 WeakPolarHBondContact CG-OH 2.98Å; E314-Y444 WeakPolarHBondContact OE1-CE1 3.44Å; E314-Y444 PolarHBondContact OE1-OH 3.21Å; Y444-S446 PolarHBondContact O-N 3.45Å; Y444-S446 VanDerWaalsContact O-N 3.1Å
445	N	53.4	Low	60.3	Low	128 Å²	128	73.5 Å²	73.5	68%	0.684	40%	0.398	S	S	*	.			trans	-66.2	111.8	178.2	-87.3	-40.1	0	0	0	109.8	V443 N447 E448	V443-N445 PolarHBondContact O-N 3.32Å; N445-N447 PolarHBondContact O-N 2.59Å; N445-E448 PolarHBondContact O-N 2.98Å; N445-E448 VanDerWaalsContact O-N 3.15Å
446	S	50.3	Low	57.6	Low	78 Å²	78	75.2 Å²	75.2	55%	0.545	41%	0.413	S	S	.	.	H	α-helix	trans	-56.7	-16.1	-175.1	50.9	0	0	0	0	115	Y444 E448 V450	Y444-S446 PolarHBondContact O-N 3.45Å; Y444-S446 VanDerWaalsContact O-N 3.1Å; S446-E448 VanDerWaalsContact C-N 3.34Å; S446-E448 PolarHBondContact O-N 3.18Å; S446-V450 VanDerWaalsContact O-CG2 3.28Å; S446-V450 WeakPolarHBondContact O-CG2 3.43Å; S446-V450 PolarHBondContact O-N 3.26Å
447	N	37.9	Very low	55.2	Low	116 Å²	116	74.6 Å²	74.6	62%	0.62	41%	0.411	S	S	*	.	H	α-helix	trans	-66.6	-28.4	177.9	-67.9	-22.4	0	0	0	113.7	N445 N451	N445-N447 PolarHBondContact O-N 2.59Å; N447-N451 PolarHBondContact O-N 2.86Å; N447-N451 PolarHBondContact O-ND2 3.21Å
448	E	34.7	Very low	52.4	Low	144 Å²	144	80.7 Å²	80.7	67%	0.673	44%	0.439	S	S	*	.	H	α-helix	trans	-78.6	-42.1	177.3	-67.4	-169.8	146.9	0	0	111.9	N445 S446 V450 N451 N452	N445-E448 PolarHBondContact O-N 2.98Å; N445-E448 VanDerWaalsContact O-N 3.15Å; S446-E448 VanDerWaalsContact C-N 3.34Å; S446-E448 PolarHBondContact O-N 3.18Å; E448-V450 VanDerWaalsContact C-N 3.29Å; E448-V450 PolarHBondContact O-N 2.87Å; E448-N451 PolarHBondContact O-N 3.23Å; E448-N452 PolarHBondContact O-N 2.81Å
449	L	38.5	Very low	49.8	Very low	96 Å²	96	87.5 Å²	87.5	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-62.8	-34.1	173.5	-72.5	168.3	0	0	0	112.3	N453	L449-N453 WeakPolarHBondContact O-CB 3.42Å; L449-N453 PolarHBondContact O-N 3.03Å; L449-N453 VanDerWaalsContact O-N 3.11Å; L449-N453 PolarHBondContact O-ND2 2.95Å
450	V	40.4	Very low	47.8	Very low	62 Å²	62	86.5 Å²	86.5	38%	0.376	46%	0.456	S	S	.	.	H	α-helix	trans	-69.3	-42.5	173.7	169.6	0	0	0	0	111.5	S446 E448 N453 L454	S446-V450 VanDerWaalsContact O-CG2 3.28Å; S446-V450 WeakPolarHBondContact O-CG2 3.43Å; S446-V450 PolarHBondContact O-N 3.26Å; E448-V450 VanDerWaalsContact C-N 3.29Å; E448-V450 PolarHBondContact O-N 2.87Å; V450-N453 PolarHBondContact O-N 2.66Å; V450-L454 HydrophobicContact CG1-CD1 3.78Å; V450-L454 HydrophobicContact CG1-CG 4.24Å; V450-L454 WeakPolarHBondContact O-CB 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.48Å; V450-L454 PolarHBondContact O-N 3.03Å
451	N	31.4	Very low	45.8	Very low	92 Å²	92	87.4 Å²	87.4	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-67.9	-38.6	179.3	-75.2	-23	0	0	0	112.9	N447 E448 L454 N455	N447-N451 PolarHBondContact O-N 2.86Å; N447-N451 PolarHBondContact O-ND2 3.21Å; E448-N451 PolarHBondContact O-N 3.23Å; N451-L454 PolarHBondContact O-N 3.05Å; N451-N455 PolarHBondContact O-N 2.93Å; N451-N455 PolarHBondContact O-ND2 2.78Å
452	N	34.1	Very low	44	Very low	111 Å²	111	93.2 Å²	93.2	59%	0.594	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-39.7	175.5	-71	-21.9	0	0	0	111.9	E448 N455 A456	E448-N452 PolarHBondContact O-N 2.81Å; N452-N455 PolarHBondContact O-N 3.24Å; N452-A456 PolarHBondContact O-N 3.09Å
453	N	40.9	Very low	42.5	Very low	94 Å²	94	98.1 Å²	98.1	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-74.4	-23.6	174.4	-76.9	-60.3	0	0	0	114.1	L449 V450 A456 S457	L449-N453 WeakPolarHBondContact O-CB 3.42Å; L449-N453 PolarHBondContact O-N 3.03Å; L449-N453 VanDerWaalsContact O-N 3.11Å; L449-N453 PolarHBondContact O-ND2 2.95Å; V450-N453 PolarHBondContact O-N 2.66Å; N453-A456 PolarHBondContact O-N 3.14Å; N453-S457 VanDerWaalsContact O-CB 3.31Å; N453-S457 WeakPolarHBondContact O-CB 3.28Å; N453-S457 PolarHBondContact O-N 3.47Å; N453-S457 PolarHBondContact O-OG 3.47Å
454	L	38.5	Very low	41.2	Very low	81 Å²	81	100 Å²	100	42%	0.424	51%	0.509	S	S	.	.	H	α-helix	trans	-68.2	-35.8	171.3	-81	168.1	0	0	0	111.6	V450 N451 S457 Q458	V450-L454 HydrophobicContact CG1-CD1 3.78Å; V450-L454 HydrophobicContact CG1-CG 4.24Å; V450-L454 WeakPolarHBondContact O-CB 3.32Å; V450-L454 WeakPolarHBondContact O-CG 3.48Å; V450-L454 PolarHBondContact O-N 3.03Å; N451-L454 PolarHBondContact O-N 3.05Å; L454-S457 PolarHBondContact O-N 2.66Å; L454-Q458 WeakPolarHBondContact O-CB 3.41Å; L454-Q458 WeakPolarHBondContact O-CG 3.38Å; L454-Q458 PolarHBondContact O-N 2.97Å
455	N	33.4	Very low	39.9	Very low	98 Å²	98	101.7 Å²	101.7	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-70	-32.1	174.5	-69.9	-28.8	0	0	0	112.6	N451 N452	N451-N455 PolarHBondContact O-N 2.93Å; N451-N455 PolarHBondContact O-ND2 2.78Å; N452-N455 PolarHBondContact O-N 3.24Å
456	A	38.8	Very low	39.1	Very low	42 Å²	42	101.2 Å²	101.2	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-48.9	166.9	0	0	0	0	0	111.2	N452 N453 Q458 K459 D460	N452-A456 PolarHBondContact O-N 3.09Å; N453-A456 PolarHBondContact O-N 3.14Å; A456-Q458 VanDerWaalsContact C-N 3.26Å; A456-Q458 PolarHBondContact O-N 2.94Å; A456-K459 WeakPolarHBondContact O-CA 3.39Å; A456-K459 WeakPolarHBondContact O-CB 3.42Å; A456-K459 PolarHBondContact O-N 2.8Å; A456-D460 PolarHBondContact O-N 3.48Å
457	S	43.1	Very low	38.6	Very low	47 Å²	47	100.5 Å²	100.5	33%	0.329	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-28.4	179.8	-58.6	0	0	0	0	113.7	N453 L454 D460 L461	N453-S457 VanDerWaalsContact O-CB 3.31Å; N453-S457 WeakPolarHBondContact O-CB 3.28Å; N453-S457 PolarHBondContact O-N 3.47Å; N453-S457 PolarHBondContact O-OG 3.47Å; L454-S457 PolarHBondContact O-N 2.66Å; S457-D460 PolarHBondContact O-N 3.07Å; S457-L461 WeakPolarHBondContact O-CB 3.43Å; S457-L461 PolarHBondContact O-N 2.83Å
458	Q	36.2	Very low	38.6	Very low	127 Å²	127	98.4 Å²	98.4	59%	0.593	49%	0.494	S	S	*	.	H	α-helix	trans	-74	-27.6	172.8	-78	-177.6	24.9	0	0	112.9	L454 A456 K462	L454-Q458 WeakPolarHBondContact O-CB 3.41Å; L454-Q458 WeakPolarHBondContact O-CG 3.38Å; L454-Q458 PolarHBondContact O-N 2.97Å; A456-Q458 VanDerWaalsContact C-N 3.26Å; A456-Q458 PolarHBondContact O-N 2.94Å; Q458-K462 PolarHBondContact O-N 3.33Å
459	K	39.2	Very low	38.6	Very low	144 Å²	144	95 Å²	95	63%	0.626	49%	0.487	S	S	*	.	H	α-helix	trans	-69.2	-47.3	165.1	-69.9	178.9	176.5	177.6	0	109.6	A456 L461 K462 Y463	A456-K459 WeakPolarHBondContact O-CA 3.39Å; A456-K459 WeakPolarHBondContact O-CB 3.42Å; A456-K459 PolarHBondContact O-N 2.8Å; K459-L461 VanDerWaalsContact C-N 3.34Å; K459-L461 PolarHBondContact O-N 3.26Å; K459-K462 WeakPolarHBondContact O-CA 3.43Å; K459-K462 WeakPolarHBondContact O-CB 3.48Å; K459-K462 PolarHBondContact O-N 3.11Å; K459-Y463 WeakPolarHBondContact O-CD2 3.38Å; K459-Y463 PolarHBondContact O-N 2.92Å
460	D	44.8	Very low	38.6	Very low	67 Å²	67	94.1 Å²	94.1	36%	0.358	49%	0.485	S	S	.	.	H	α-helix	trans	-56.4	-44.9	179.6	-60.7	-21.2	0	0	0	112.4	A456 S457 K462 Y463 E464	A456-D460 PolarHBondContact O-N 3.48Å; S457-D460 PolarHBondContact O-N 3.07Å; D460-K462 VanDerWaalsContact C-N 3.27Å; D460-K462 PolarHBondContact O-N 3.47Å; D460-Y463 CarbonylContact O-C 3.56Å; D460-Y463 PolarHBondContact O-N 2.77Å; D460-E464 WeakPolarHBondContact O-CB 3.41Å; D460-E464 PolarHBondContact O-N 2.64Å
461	L	42.3	Very low	38.5	Very low	96 Å²	96	97 Å²	97	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-30.9	175.8	-86.4	157.3	0	0	0	113.4	S457 K459 Q465	S457-L461 WeakPolarHBondContact O-CB 3.43Å; S457-L461 PolarHBondContact O-N 2.83Å; K459-L461 VanDerWaalsContact C-N 3.34Å; K459-L461 PolarHBondContact O-N 3.26Å; L461-Q465 VanDerWaalsContact O-CG 3.27Å; L461-Q465 WeakPolarHBondContact O-CG 3.43Å; L461-Q465 PolarHBondContact O-N 3.21Å
462	K	41.3	Very low	38.8	Very low	141 Å²	141	97.4 Å²	97.4	61%	0.613	50%	0.496	S	S	*	.	H	α-helix	trans	-76.3	-38.3	175.7	-130.7	174	-176.5	178.9	0	111.3	Q458 K459 D460 Q465 M466	Q458-K462 PolarHBondContact O-N 3.33Å; K459-K462 WeakPolarHBondContact O-CA 3.43Å; K459-K462 WeakPolarHBondContact O-CB 3.48Å; K459-K462 PolarHBondContact O-N 3.11Å; D460-K462 VanDerWaalsContact C-N 3.27Å; D460-K462 PolarHBondContact O-N 3.47Å; K462-Q465 PolarHBondContact O-N 2.81Å; K462-M466 WeakPolarHBondContact O-CG 3.32Å; K462-M466 PolarHBondContact O-N 2.93Å; K462-M466 VanDerWaalsContact O-N 3.11Å
463	Y	39.3	Very low	38.9	Very low	150 Å²	150	95.6 Å²	95.6	59%	0.588	49%	0.492	S	S	*	.	H	α-helix	trans	-72.3	-35.2	174.3	-82.7	-77.1	0	0	0	113	K459 D460 Q465 M466 N467	K459-Y463 WeakPolarHBondContact O-CD2 3.38Å; K459-Y463 PolarHBondContact O-N 2.92Å; D460-Y463 CarbonylContact O-C 3.56Å; D460-Y463 PolarHBondContact O-N 2.77Å; Y463-Q465 VanDerWaalsContact C-N 3.34Å; Y463-M466 PolarHBondContact O-N 2.91Å; Y463-N467 WeakPolarHBondContact O-CB 3.47Å; Y463-N467 PolarHBondContact O-N 2.96Å
464	E	41.6	Very low	38.7	Very low	86 Å²	86	99.2 Å²	99.2	40%	0.402	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-41	170.9	-79.2	-173.8	154.4	0	0	111.1	D460 M466 L468	D460-E464 WeakPolarHBondContact O-CB 3.41Å; D460-E464 PolarHBondContact O-N 2.64Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.8Å; E464-L468 WeakPolarHBondContact O-CB 3.41Å; E464-L468 WeakPolarHBondContact O-CD1 3.35Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å; E464-L468 PolarHBondContact O-N 2.86Å
465	Q	38.2	Very low	38.5	Very low	135 Å²	135	99 Å²	99	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-34.8	174.2	-73.4	173.8	21.3	0	0	112.9	L461 K462 Y463	L461-Q465 VanDerWaalsContact O-CG 3.27Å; L461-Q465 WeakPolarHBondContact O-CG 3.43Å; L461-Q465 PolarHBondContact O-N 3.21Å; K462-Q465 PolarHBondContact O-N 2.81Å; Y463-Q465 VanDerWaalsContact C-N 3.34Å
466	M	35.9	Very low	38.4	Very low	119 Å²	119	101 Å²	101	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-78	-36.9	176.4	-72.1	-179.8	172.9	0	0	113.7	K462 Y463 E464 L468 S469	K462-M466 WeakPolarHBondContact O-CG 3.32Å; K462-M466 PolarHBondContact O-N 2.93Å; K462-M466 VanDerWaalsContact O-N 3.11Å; Y463-M466 PolarHBondContact O-N 2.91Å; E464-M466 VanDerWaalsContact C-N 3.34Å; E464-M466 PolarHBondContact O-N 2.8Å; M466-L468 VanDerWaalsContact C-N 3.33Å; M466-S469 PolarHBondContact O-N 2.78Å; M466-S469 PolarHBondContact O-OG 3.48Å
467	N	40.9	Very low	38	Very low	63 Å²	63	108.2 Å²	108.2	34%	0.337	54%	0.537	S	S	.	.	H	α-helix	trans	-77.9	-17.1	178.6	-77.2	-27.1	0	0	0	113.4	Y463 S469 T470 I471	Y463-N467 WeakPolarHBondContact O-CB 3.47Å; Y463-N467 PolarHBondContact O-N 2.96Å; N467-S469 PolarHBondContact O-N 2.98Å; N467-T470 PolarHBondContact O-N 2.85Å; N467-I471 PolarHBondContact O-N 2.87Å
468	L	37.4	Very low	37.6	Very low	71 Å²	71	112.1 Å²	112.1	37%	0.372	56%	0.561	S	S	.	*	H	α-helix	trans	-61.4	-32.1	168.6	-82.9	163.9	0	0	0	112.5	E464 M466 H472	E464-L468 WeakPolarHBondContact O-CB 3.41Å; E464-L468 WeakPolarHBondContact O-CD1 3.35Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å; E464-L468 PolarHBondContact O-N 2.86Å; M466-L468 VanDerWaalsContact C-N 3.33Å; L468-H472 PolarHBondContact O-CD2 2.89Å; L468-H472 PolarHBondContact O-N 3.01Å
469	S	35.3	Very low	37.4	Very low	74 Å²	74	109.6 Å²	109.6	52%	0.517	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-43.2	173.1	-10.4	0	0	0	0	112.1	M466 N467 I471 H472 S473	M466-S469 PolarHBondContact O-N 2.78Å; M466-S469 PolarHBondContact O-OG 3.48Å; N467-S469 PolarHBondContact O-N 2.98Å; S469-I471 VanDerWaalsContact C-N 3.31Å; S469-I471 PolarHBondContact O-N 2.82Å; S469-H472 PolarHBondContact O-N 2.9Å; S469-H472 VanDerWaalsContact O-N 3.1Å; S469-S473 PolarHBondContact O-N 3.49Å; S469-S473 VanDerWaalsContact O-N 3.14Å; S469-S473 PolarHBondContact O-OG 2.9Å
470	T	37.7	Very low	37.1	Very low	77 Å²	77	110.8 Å²	110.8	47%	0.472	58%	0.583	S	S	.	*	H	α-helix	trans	-68.3	-28.7	-175.1	-42.5	0	0	0	0	112.9	N467 S473 F474	N467-T470 PolarHBondContact O-N 2.85Å; T470-S473 VanDerWaalsContact C-OG 3.3Å; T470-S473 WeakPolarHBondContact CA-OG 3.22Å; T470-S473 PolarHBondContact O-OG 2.83Å; T470-F474 WeakPolarHBondContact O-CD2 3.47Å
471	I	37.4	Very low	36.3	Very low	121 Å²	121	112.7 Å²	112.7	62%	0.621	60%	0.602	S	S	*	*	H	α-helix	trans	-79.6	-30.4	173.1	-62.3	174.4	0	0	0	111.1	N467 S469	N467-I471 PolarHBondContact O-N 2.87Å; S469-I471 VanDerWaalsContact C-N 3.31Å; S469-I471 PolarHBondContact O-N 2.82Å
472	H	37.6	Very low	35.9	Very low	101 Å²	101	116.2 Å²	116.2	47%	0.468	62%	0.619	S	S	.	*	H	α-helix	trans	-71.9	-25.2	175.8	-83.4	-62.9	0	0	0	113.6	L468 S469 F474 N475	L468-H472 PolarHBondContact O-CD2 2.89Å; L468-H472 PolarHBondContact O-N 3.01Å; S469-H472 PolarHBondContact O-N 2.9Å; S469-H472 VanDerWaalsContact O-N 3.1Å; H472-F474 PolarHBondContact O-N 2.98Å; H472-N475 PolarHBondContact O-N 3.38Å
473	S	37	Very low	35.6	Very low	74 Å²	74	115.5 Å²	115.5	52%	0.517	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-66.5	-12.9	175.3	23.5	0	0	0	0	115.2	S469 T470 N475	S469-S473 PolarHBondContact O-N 3.49Å; S469-S473 VanDerWaalsContact O-N 3.14Å; S469-S473 PolarHBondContact O-OG 2.9Å; T470-S473 VanDerWaalsContact C-OG 3.3Å; T470-S473 WeakPolarHBondContact CA-OG 3.22Å; T470-S473 PolarHBondContact O-OG 2.83Å; S473-N475 VanDerWaalsContact C-N 3.31Å; S473-N475 PolarHBondContact O-N 3.19Å
474	F	36.5	Very low	35.2	Very low	170 Å²	170	114.5 Å²	114.5	75%	0.746	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-82.7	-1.5	175.6	-74.9	-81.2	0	0	0	114.6	T470 H472	T470-F474 WeakPolarHBondContact O-CD2 3.47Å; H472-F474 PolarHBondContact O-N 2.98Å
475	N	34.3	Very low	34.9	Very low	75 Å²	75	116.3 Å²	116.3	40%	0.401	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-110.1	10.5	179.7	-77.8	-9	0	0	0	114.3	T20 H472 S473	T20-N475 WeakPolarHBondContact CG2-ND2 3.39Å; H472-N475 PolarHBondContact O-N 3.38Å; S473-N475 VanDerWaalsContact C-N 3.31Å; S473-N475 PolarHBondContact O-N 3.19Å
476	N	30.9	Very low	34.5	Very low	140 Å²	140	115.6 Å²	115.6	75%	0.749	67%	0.671	S	S	*	*			trans	-108.3	81.7	179.4	-78.8	-11.3	0	0	0	111.8
477	F	32.1	Very low	34.2	Very low	195 Å²	195	115.4 Å²	115.4	86%	0.855	68%	0.68	S	S	*	*			trans	-83.8	141	155.6	-88.4	-89.8	0	0	0	109.5	G479	F477-G479 PolarHBondContact O-N 3.28Å
478	P	33.2	Very low	33.7	Very low	128 Å²	128	117.2 Å²	117.2	83%	0.831	70%	0.697	S	S	*	*			trans	-78.1	88.5	-176.8	31.1	-34.2	0	0	0	111.6
479	G	32.9	Very low	33.4	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-76.3	124.6	170	0	0	0	0	0	111.7	F477	F477-G479 PolarHBondContact O-N 3.28Å
480	N	32.3	Very low	33.4	Very low	169 Å²	169	120.4 Å²	120.4	90%	0.904	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.9	148.1	-176.9	-112.3	-16.9	0	0	0	113.4
481	S	28.9	Very low	33.1	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-72.8	126.3	-175.7	53.8	0	0	0	0	114.5
482	I	34.1	Very low	33	Very low	169 Å²	169	122.4 Å²	122.4	87%	0.867	74%	0.742	S	S	*	*			trans	-134.9	136.4	148.7	-59.2	-176.4	0	0	0	108.5
483	T	34	Very low	32.7	Very low	127 Å²	127	124.1 Å²	124.1	78%	0.779	76%	0.755	S	S	*	*			trans	-87.5	151.8	-169.7	43.3	0	0	0	0	113.6
484	P	30.5	Very low	32.4	Very low	128 Å²	128	125.4 Å²	125.4	83%	0.831	76%	0.759	S	S	*	*			trans	-89	142.8	176.5	34.7	-33	0	0	0	112.4
485	S	35.6	Very low	32.3	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	76%	0.759	S	S	*	*			trans	-115.1	151.4	167.2	56.1	0	0	0	0	111.2
486	S	29.8	Very low	32	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	78%	0.779	S	S	*	*			trans	-118.3	137.1	-161.1	48.3	0	0	0	0	113.9
487	C	30.1	Very low	31.9	Very low	115 Å²	115	129.8 Å²	129.8	78%	0.777	79%	0.785	S	S	*	*			trans	-166.9	115.2	158	41.3	0	0	0	0	108
488	S	30	Very low	31.6	Very low	100 Å²	100	128.5 Å²	128.5	70%	0.699	79%	0.785	S	S	*	*			cis	92.3	126.1	49.3	69.7	0	0	0	0	113.6
489	S	31.8	Very low	31.4	Very low	113 Å²	113	127.9 Å²	127.9	79%	0.79	78%	0.784	S	S	*	*			trans	64.5	146.2	168.4	33.8	0	0	0	0	117.6
490	S	34.2	Very low	31	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	79%	0.79	S	S	*	*			cis	-171.1	160.6	-1.8	40.4	0	0	0	0	112.9
491	N	32.5	Very low	30.8	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	79%	0.785	S	S	*	*			trans	74.8	115.5	149.1	-74.5	-2.7	0	0	0	123.7
492	S	33.8	Very low	30.7	Very low	94 Å²	94	134 Å²	134	66%	0.657	79%	0.789	S	S	*	*			trans	53.7	124.8	130.8	68.5	0	0	0	0	120
493	N	32.7	Very low	30.5	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	79%	0.786	S	S	*	*				-172.8	155.8	54.7	-112.9	-28	0	0	0	114.1
494	T	31.1	Very low	30.2	Very low	100 Å²	100	135.4 Å²	135.4	61%	0.613	79%	0.793	S	S	*	*			trans	49.6	105.2	149.2	59.9	0	0	0	0	121.9
495	H	34.3	Very low	30.1	Very low	160 Å²	160	133.6 Å²	133.6	74%	0.741	78%	0.783	S	S	*	*				171.4	136.6	95.8	-93.4	-61.7	0	0	0	115
496	K	27.9	Very low	29.7	Very low	186 Å²	186	136.9 Å²	136.9	81%	0.809	79%	0.785	S	S	*	*			trans	34.3	111.2	149.8	-64.5	175.3	176.7	174.6	0	119.6
497	C	27.7	Very low	29.6	Very low	131 Å²	131	140.3 Å²	140.3	89%	0.885	79%	0.785	S	S	*	*				-171.5	152.9	106	-102.8	0	0	0	0	112.3
498	I	25.5	Very low	29.5	Very low	168 Å²	168	144 Å²	144	86%	0.862	79%	0.788	S	S	*	*			trans	-94.1	126.9	-168.7	-63.9	163.4	0	0	0	110.6
499	S	29.2	Very low	29.5	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	80%	0.795	S	S	*	*			trans	-116.4	123.8	166	49.1	0	0	0	0	110.4
500	R	25.7	Very low	29.4	Very low	237 Å²	237	146.1 Å²	146.1	89%	0.894	79%	0.792	S	S	*	*			trans	-91.7	145.2	171.2	-102.9	-176	172.8	-169.7	-2	109.9
501	P	27.5	Very low	29.2	Very low	121 Å²	121	149 Å²	149	79%	0.786	80%	0.8	S	S	*	*			trans	-80.9	152.9	-177.6	27.1	-23.7	0	0	0	112.6
502	S	26.7	Very low	29.3	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	80%	0.801	S	S	*	*			trans	-81.1	114.6	176.9	53.2	0	0	0	0	112.1
503	S	30.3	Very low	29.4	Very low	113 Å²	113	153.8 Å²	153.8	79%	0.79	81%	0.809	S	S	*	*			trans	-98.8	102.9	167.9	57.2	0	0	0	0	110.5
504	F	27.1	Very low	29.7	Very low	213 Å²	213	149.9 Å²	149.9	93%	0.934	79%	0.792	S	S	*	*			trans	-100.4	90.1	174.5	-156.7	-88.5	0	0	0	108.8
505	S	29.3	Very low	30.1	Very low	90 Å²	90	150 Å²	150	63%	0.629	79%	0.793	S	S	*	*			trans	-98.4	144.6	175.8	50.1	0	0	0	0	111.4	F507	S505-F507 PolarHBondContact O-N 2.9Å
506	Q	27.5	Very low	30.8	Very low	193 Å²	193	146.5 Å²	146.5	90%	0.902	78%	0.783	S	S	*	*			trans	-62.9	128.7	-171.9	-63.9	151.4	-44.7	0	0	112.2
507	F	27.2	Very low	32.1	Very low	192 Å²	192	141.9 Å²	141.9	84%	0.842	77%	0.767	S	S	*	*			trans	-97.2	110.1	162.6	-88.5	-86.7	0	0	0	110.3	S505	S505-F507 PolarHBondContact O-N 2.9Å
508	K	27.3	Very low	33.8	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	74%	0.744	S	S	*	*			trans	-70	124.6	151.3	-71.6	179.9	176.8	-179.9	0	106.9	T510	K508-T510 PolarHBondContact O-N 2.82Å
509	T	31	Very low	35.4	Very low	137 Å²	137	135.5 Å²	135.5	84%	0.84	73%	0.728	S	S	*	*			trans	-86.4	98	176.2	49.6	0	0	0	0	110
510	T	29.7	Very low	37	Very low	120 Å²	120	134.6 Å²	134.6	74%	0.736	71%	0.711	S	S	*	*			trans	-101.5	134.1	156.9	47.5	0	0	0	0	108.4	K508 T512	K508-T510 PolarHBondContact O-N 2.82Å; T510-T512 PolarHBondContact O-N 3.45Å
511	D	29.3	Very low	38.8	Very low	161 Å²	161	129.3 Å²	129.3	86%	0.861	70%	0.7	S	S	*	*			trans	-60	127.5	-173.4	-57.8	-75.9	0	0	0	113.3
512	T	33.8	Very low	40.7	Very low	132 Å²	132	129.3 Å²	129.3	81%	0.81	69%	0.691	S	S	*	*			trans	-150.9	121.9	154.8	27.6	0	0	0	0	109.7	T510 S514	T510-T512 PolarHBondContact O-N 3.45Å; T512-S514 PolarHBondContact O-N 2.69Å; T512-S514 VanDerWaalsContact O-N 3.11Å
513	Y	37	Very low	42.7	Very low	206 Å²	206	128.9 Å²	128.9	81%	0.808	67%	0.674	S	S	*	*			trans	-64.4	110.6	164	-78.8	-98	0	0	0	108.2	T515	Y513-T515 PolarHBondContact O-N 2.71Å; Y513-T515 VanDerWaalsContact O-N 3.12Å
514	S	39.5	Very low	44.5	Very low	57 Å²	57	128.9 Å²	128.9	40%	0.399	66%	0.661	S	S	.	*			trans	-60.4	117	171	172	0	0	0	0	109.5	T512 T516 N517	T512-S514 PolarHBondContact O-N 2.69Å; T512-S514 VanDerWaalsContact O-N 3.11Å; S514-T516 PolarHBondContact O-N 2.84Å; S514-T516 PolarHBondContact OG-OG1 3.37Å; S514-T516 VanDerWaalsContact OG-OG1 3.06Å; S514-N517 WeakPolarHBondContact O-CB 3.41Å; S514-N517 PolarHBondContact O-N 3.3Å
515	T	38.6	Very low	46.5	Very low	103 Å²	103	124.6 Å²	124.6	63%	0.632	64%	0.639	S	S	*	*	H	α-helix	trans	-51.9	-29.2	178.5	-39.7	0	0	0	0	112	Y513 N517 V518 L519	Y513-T515 PolarHBondContact O-N 2.71Å; Y513-T515 VanDerWaalsContact O-N 3.12Å; T515-N517 VanDerWaalsContact C-N 3.35Å; T515-N517 PolarHBondContact O-N 3.19Å; T515-V518 PolarHBondContact O-N 2.91Å; T515-L519 PolarHBondContact O-N 3.1Å; T515-L519 VanDerWaalsContact O-N 3.09Å
516	T	49.9	Very low	48.5	Very low	85 Å²	85	126 Å²	126	52%	0.521	64%	0.636	S	S	.	*	H	α-helix	trans	-59.3	-41	175.8	-28.1	0	0	0	0	112.3	S514 V518 L519 E520	S514-T516 PolarHBondContact O-N 2.84Å; S514-T516 PolarHBondContact OG-OG1 3.37Å; S514-T516 VanDerWaalsContact OG-OG1 3.06Å; T516-V518 PolarHBondContact O-N 3.39Å; T516-L519 PolarHBondContact O-N 3.27Å; T516-E520 PolarHBondContact O-N 3.36Å
517	N	53.9	Low	50.7	Low	89 Å²	89	123.7 Å²	123.7	48%	0.476	62%	0.623	S	S	.	*	H	α-helix	trans	-66	-37.8	179.2	-75	-8.1	0	0	0	112	S514 T515 L521	S514-N517 WeakPolarHBondContact O-CB 3.41Å; S514-N517 PolarHBondContact O-N 3.3Å; T515-N517 VanDerWaalsContact C-N 3.35Å; T515-N517 PolarHBondContact O-N 3.19Å; N517-L521 WeakPolarHBondContact O-CB 3.48Å; N517-L521 PolarHBondContact O-N 3.25Å; N517-L521 VanDerWaalsContact O-N 3.08Å
518	V	62.9	Low	52.7	Low	66 Å²	66	118.8 Å²	118.8	40%	0.4	60%	0.603	S	S	.	*	H	α-helix	trans	-68.9	-41.2	177.9	-179.3	0	0	0	0	110.7	T515 T516 L521 M522	T515-V518 PolarHBondContact O-N 2.91Å; T516-V518 PolarHBondContact O-N 3.39Å; V518-L521 PolarHBondContact O-N 2.68Å; V518-M522 HydrophobicContact CG1-CE 4.18Å; V518-M522 WeakPolarHBondContact O-CG 3.48Å; V518-M522 PolarHBondContact O-N 2.72Å
519	L	59.9	Low	54.6	Low	100 Å²	100	113.2 Å²	113.2	52%	0.524	58%	0.581	S	S	.	*	H	α-helix	trans	-65.6	-40.4	178.4	-155.3	82.3	0	0	0	112	T515 T516 M522 K523	T515-L519 PolarHBondContact O-N 3.1Å; T515-L519 VanDerWaalsContact O-N 3.09Å; T516-L519 PolarHBondContact O-N 3.27Å; L519-M522 PolarHBondContact O-N 3.41Å; L519-K523 WeakPolarHBondContact O-CG 3.37Å; L519-K523 PolarHBondContact O-N 3.42Å
520	E	63	Low	56.2	Low	97 Å²	97	110.6 Å²	110.6	45%	0.453	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-42.9	175.5	-129.7	73.9	-105	0	0	111.7	T516 M522 K523 Q524	T516-E520 PolarHBondContact O-N 3.36Å; E520-M522 VanDerWaalsContact C-N 3.35Å; E520-M522 PolarHBondContact O-N 3.39Å; E520-K523 PolarHBondContact O-N 3.15Å; E520-K523 WeakPolarHBondContact OE1-CD 3.46Å; E520-K523 IonicContact OE1-NZ 2.73Å; E520-K523 PolarHBondContact OE1-NZ 2.84Å; E520-Q524 PolarHBondContact O-N 2.93Å
521	L	63.1	Low	58.1	Low	126 Å²	126	108.6 Å²	108.6	66%	0.66	55%	0.547	S	S	*	.	H	α-helix	trans	-57.8	-44.7	173.1	-93.5	158.5	0	0	0	112.1	N517 V518 Q524 Y525	N517-L521 WeakPolarHBondContact O-CB 3.48Å; N517-L521 PolarHBondContact O-N 3.25Å; N517-L521 VanDerWaalsContact O-N 3.08Å; V518-L521 PolarHBondContact O-N 2.68Å; L521-Q524 PolarHBondContact O-N 3.19Å; L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.04Å
522	M	66.9	Low	59.5	Low	121 Å²	121	104.2 Å²	104.2	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-40.6	176.3	-74.8	-174.3	174.3	0	0	112.7	V518 L519 E520 Y525 H526	V518-M522 HydrophobicContact CG1-CE 4.18Å; V518-M522 WeakPolarHBondContact O-CG 3.48Å; V518-M522 PolarHBondContact O-N 2.72Å; L519-M522 PolarHBondContact O-N 3.41Å; E520-M522 VanDerWaalsContact C-N 3.35Å; E520-M522 PolarHBondContact O-N 3.39Å; M522-Y525 PolarHBondContact O-N 3.24Å; M522-H526 PolarHBondContact O-N 2.84Å
523	K	69.2	Low	60.8	Low	112 Å²	112	104.4 Å²	104.4	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-42.8	174.6	-71.4	173.3	-167.3	167.7	0	111.8	L519 E520 H526 K527	L519-K523 WeakPolarHBondContact O-CG 3.37Å; L519-K523 PolarHBondContact O-N 3.42Å; E520-K523 PolarHBondContact O-N 3.15Å; E520-K523 WeakPolarHBondContact OE1-CD 3.46Å; E520-K523 IonicContact OE1-NZ 2.73Å; E520-K523 PolarHBondContact OE1-NZ 2.84Å; K523-H526 PolarHBondContact O-N 3.4Å; K523-K527 PolarHBondContact O-N 2.8Å
524	Q	67.7	Low	61.7	Low	112 Å²	112	99.7 Å²	99.7	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-67.2	-42.9	179.7	-175.8	153.7	-12.6	0	0	111.5	E520 L521 H526 K527 E528	E520-Q524 PolarHBondContact O-N 2.93Å; L521-Q524 PolarHBondContact O-N 3.19Å; Q524-H526 VanDerWaalsContact C-N 3.33Å; Q524-H526 PolarHBondContact O-N 2.79Å; Q524-K527 WeakPolarHBondContact O-CB 3.39Å; Q524-K527 PolarHBondContact O-N 3.28Å; Q524-K527 VanDerWaalsContact O-N 3.09Å; Q524-E528 WeakPolarHBondContact CG-OE1 3.34Å; Q524-E528 PolarHBondContact NE2-OE1 2.86Å; Q524-E528 WeakPolarHBondContact O-CG 3.32Å; Q524-E528 PolarHBondContact O-N 2.8Å
525	Y	70.8	Confident	62.5	Low	123 Å²	123	101.4 Å²	101.4	48%	0.482	51%	0.508	S	S	.	.	H	α-helix	trans	-59.3	-40.7	172.8	-170.6	-103.5	0	0	0	112.4	L521 M522 E528 L529	L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.04Å; M522-Y525 PolarHBondContact O-N 3.24Å; Y525-E528 PolarHBondContact O-N 2.88Å; Y525-L529 HydrophobicContact CD1-CD1 3.78Å; Y525-L529 HydrophobicContact CD1-CG 4.41Å; Y525-L529 HydrophobicContact CE1-CD1 3.53Å; Y525-L529 HydrophobicContact CE1-CG 4.19Å; Y525-L529 WeakPolarHBondContact O-CB 3.38Å; Y525-L529 WeakPolarHBondContact O-CG 3.18Å; Y525-L529 PolarHBondContact O-N 3.08Å
526	H	71.2	Confident	63.3	Low	121 Å²	121	100.7 Å²	100.7	56%	0.56	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-37.4	173	-110.4	56.7	0	0	0	113.3	M522 K523 Q524 N530	M522-H526 PolarHBondContact O-N 2.84Å; K523-H526 PolarHBondContact O-N 3.4Å; Q524-H526 VanDerWaalsContact C-N 3.33Å; Q524-H526 PolarHBondContact O-N 2.79Å; H526-N530 WeakPolarHBondContact O-CB 3.39Å; H526-N530 PolarHBondContact O-N 3.33Å; H526-N530 PolarHBondContact O-ND2 3.43Å
527	K	73.7	Confident	63.7	Low	144 Å²	144	102.3 Å²	102.3	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-64.6	-43.4	175.2	-169.8	-177	178.9	-173.9	0	111.2	K523 Q524 N530 N531	K523-K527 PolarHBondContact O-N 2.8Å; Q524-K527 WeakPolarHBondContact O-CB 3.39Å; Q524-K527 PolarHBondContact O-N 3.28Å; Q524-K527 VanDerWaalsContact O-N 3.09Å; K527-N530 PolarHBondContact O-N 3.38Å; K527-N531 PolarHBondContact O-N 2.92Å; K527-N531 PolarHBondContact O-OD1 3.32Å
528	E	68.8	Low	63.9	Low	89 Å²	89	104.8 Å²	104.8	42%	0.416	51%	0.511	S	S	.	.	H	α-helix	trans	-67	-40.3	178	-70.6	173.1	-164.6	0	0	112	Q524 Y525 N530 N531 C532	Q524-E528 WeakPolarHBondContact CG-OE1 3.34Å; Q524-E528 PolarHBondContact NE2-OE1 2.86Å; Q524-E528 WeakPolarHBondContact O-CG 3.32Å; Q524-E528 PolarHBondContact O-N 2.8Å; Y525-E528 PolarHBondContact O-N 2.88Å; E528-N530 PolarHBondContact O-N 2.83Å; E528-N531 PolarHBondContact O-N 3.5Å; E528-C532 PolarHBondContact O-N 3.19Å
529	L	67.9	Low	63.7	Low	76 Å²	76	107.3 Å²	107.3	40%	0.398	53%	0.527	S	S	.	.	H	α-helix	trans	-60.4	-41.2	171.4	-80	172	0	0	0	113	Y525 C532 K533	Y525-L529 HydrophobicContact CD1-CD1 3.78Å; Y525-L529 HydrophobicContact CD1-CG 4.41Å; Y525-L529 HydrophobicContact CE1-CD1 3.53Å; Y525-L529 HydrophobicContact CE1-CG 4.19Å; Y525-L529 WeakPolarHBondContact O-CB 3.38Å; Y525-L529 WeakPolarHBondContact O-CG 3.18Å; Y525-L529 PolarHBondContact O-N 3.08Å; L529-C532 PolarHBondContact O-N 2.92Å; L529-K533 PolarHBondContact O-N 2.81Å
530	N	64.2	Low	63.6	Low	82 Å²	82	108.8 Å²	108.8	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-68.6	-38.3	177.9	-75.5	-19.8	0	0	0	112.3	H526 K527 E528 K533 Q534	H526-N530 WeakPolarHBondContact O-CB 3.39Å; H526-N530 PolarHBondContact O-N 3.33Å; H526-N530 PolarHBondContact O-ND2 3.43Å; K527-N530 PolarHBondContact O-N 3.38Å; E528-N530 PolarHBondContact O-N 2.83Å; N530-K533 PolarHBondContact O-N 3.4Å; N530-Q534 PolarHBondContact O-N 3.14Å; N530-Q534 VanDerWaalsContact O-N 3.1Å
531	N	68.3	Low	62.9	Low	78 Å²	78	114.8 Å²	114.8	42%	0.417	56%	0.563	S	S	.	*	H	α-helix	trans	-62.8	-47.4	173.2	-71.2	4.9	0	0	0	111.1	K527 E528 K533 Q534 D535	K527-N531 PolarHBondContact O-N 2.92Å; K527-N531 PolarHBondContact O-OD1 3.32Å; E528-N531 PolarHBondContact O-N 3.5Å; N531-K533 VanDerWaalsContact C-N 3.27Å; N531-K533 PolarHBondContact O-N 3.24Å; N531-Q534 PolarHBondContact O-N 3.1Å; N531-D535 PolarHBondContact O-N 3.38Å
532	C	58.5	Low	62.9	Low	70 Å²	70	114.3 Å²	114.3	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-56.5	-37.8	174.9	-96.1	0	0	0	0	113	E528 L529 V536	E528-C532 PolarHBondContact O-N 3.19Å; L529-C532 PolarHBondContact O-N 2.92Å; C532-V536 VanDerWaalsContact O-CG2 3.29Å; C532-V536 WeakPolarHBondContact O-CG2 3.23Å; C532-V536 PolarHBondContact O-N 2.89Å
533	K	62.2	Low	62.7	Low	135 Å²	135	113.9 Å²	113.9	59%	0.587	56%	0.557	S	S	*	*	H	α-helix	trans	-64.6	-44.6	173.9	-76.7	-176.7	175.3	-175.1	0	112.2	L529 N530 N531 D535 V536 E537	L529-K533 PolarHBondContact O-N 2.81Å; N530-K533 PolarHBondContact O-N 3.4Å; N531-K533 VanDerWaalsContact C-N 3.27Å; N531-K533 PolarHBondContact O-N 3.24Å; K533-D535 VanDerWaalsContact C-N 3.32Å; K533-D535 PolarHBondContact O-N 3.22Å; K533-V536 PolarHBondContact O-N 2.83Å; K533-E537 WeakPolarHBondContact O-CB 3.43Å; K533-E537 WeakPolarHBondContact O-CG 3.33Å; K533-E537 PolarHBondContact O-N 3.24Å
534	Q	54.9	Low	62.4	Low	108 Å²	108	114 Å²	114	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-35	178	-70.4	-178.1	5.2	0	0	112.8	N530 N531 E537 K538	N530-Q534 PolarHBondContact O-N 3.14Å; N530-Q534 VanDerWaalsContact O-N 3.1Å; N531-Q534 PolarHBondContact O-N 3.1Å; Q534-E537 PolarHBondContact O-N 3.39Å; Q534-K538 WeakPolarHBondContact O-CB 3.33Å; Q534-K538 WeakPolarHBondContact O-CG 3.38Å; Q534-K538 PolarHBondContact O-N 2.9Å
535	D	57.1	Low	62	Low	93 Å²	93	114.1 Å²	114.1	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-71.5	-37.6	175.8	-67	-30	0	0	0	111.5	N531 K533 K538 V539	N531-D535 PolarHBondContact O-N 3.38Å; K533-D535 VanDerWaalsContact C-N 3.32Å; K533-D535 PolarHBondContact O-N 3.22Å; D535-K538 PolarHBondContact O-N 3.09Å; D535-V539 WeakPolarHBondContact O-CG2 3.38Å; D535-V539 PolarHBondContact O-N 3.35Å; D535-V539 VanDerWaalsContact O-N 3.14Å
536	V	56.3	Low	61.5	Low	87 Å²	87	113.6 Å²	113.6	53%	0.527	57%	0.568	S	S	.	*	H	α-helix	trans	-67.5	-36.7	172.3	172	0	0	0	0	111.9	C532 K533 V539 N540	C532-V536 VanDerWaalsContact O-CG2 3.29Å; C532-V536 WeakPolarHBondContact O-CG2 3.23Å; C532-V536 PolarHBondContact O-N 2.89Å; K533-V536 PolarHBondContact O-N 2.83Å; V536-V539 PolarHBondContact O-N 3.14Å; V536-N540 PolarHBondContact O-N 3.17Å; V536-N540 PolarHBondContact O-ND2 2.71Å
537	E	57.3	Low	60.9	Low	120 Å²	120	113.1 Å²	113.1	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-67.2	-34.7	174.3	-76.2	171.4	-174.1	0	0	112.2	K533 Q534 N540 Q541	K533-E537 WeakPolarHBondContact O-CB 3.43Å; K533-E537 WeakPolarHBondContact O-CG 3.33Å; K533-E537 PolarHBondContact O-N 3.24Å; Q534-E537 PolarHBondContact O-N 3.39Å; E537-N540 PolarHBondContact O-N 3.11Å; E537-Q541 PolarHBondContact O-N 3Å
538	K	58.5	Low	59.9	Low	140 Å²	140	110.9 Å²	110.9	61%	0.609	56%	0.564	S	S	*	*	H	α-helix	trans	-74.6	-18.6	174.4	-77.1	175.2	-177.7	169.7	0	115.2	Q534 D535	Q534-K538 WeakPolarHBondContact O-CB 3.33Å; Q534-K538 WeakPolarHBondContact O-CG 3.38Å; Q534-K538 PolarHBondContact O-N 2.9Å; D535-K538 PolarHBondContact O-N 3.09Å
539	V	58	Low	59.3	Low	120 Å²	120	112.5 Å²	112.5	73%	0.727	58%	0.575	S	S	*	*	H	α-helix	trans	-90	-13.3	174.1	173.1	0	0	0	0	111.5	D535 V536	D535-V539 WeakPolarHBondContact O-CG2 3.38Å; D535-V539 PolarHBondContact O-N 3.35Å; D535-V539 VanDerWaalsContact O-N 3.14Å; V536-V539 PolarHBondContact O-N 3.14Å
540	N	58.3	Low	58.5	Low	130 Å²	130	115.6 Å²	115.6	70%	0.695	59%	0.59	S	S	*	*			trans	-104.1	12.7	175.4	-69.1	-56.3	0	0	0	113.4	V536 E537	V536-N540 PolarHBondContact O-N 3.17Å; V536-N540 PolarHBondContact O-ND2 2.71Å; E537-N540 PolarHBondContact O-N 3.11Å
541	Q	49	Very low	58	Low	224 Å²	224	118.6 Å²	118.6	100%	1.047	60%	0.604	S	S	*	*			trans	-117.6	0	169.1	-72.4	-177.8	15	0	0	109.8	E537	E537-Q541 PolarHBondContact O-N 3Å

Retrieved 541 of 541 residues in 831.2 ms (Link to these results)

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