A0A077YZY4_TRITR Loading...

DUF498 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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	33.7	Very low	32.2	Very low	211 Å²	211	130.9 Å²	130.9	100%	1.039	75%	0.753	S	S	*	*				0	99.1	0	-174.4	164.3	166.2	0	0	106.7	M3	M1-M3 HydrophobicContact CE-CE 3.9Å; M1-M3 HydrophobicContact CE-SD 4.1Å
2	V	32.3	Very low	32.3	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	75%	0.754	S	S	*	*			trans	-88.9	110.5	176.6	179.6	0	0	0	0	105.7	N4	V2-N4 HydrophobicContact CG1-CB 4.32Å
3	M	31.3	Very low	32.5	Very low	150 Å²	150	138.2 Å²	138.2	74%	0.739	75%	0.745	S	S	*	*			trans	-111.7	92.3	160.6	-75	-168.1	-64.3	0	0	105.7	M1	M1-M3 HydrophobicContact CE-CE 3.9Å; M1-M3 HydrophobicContact CE-SD 4.1Å
4	N	30.6	Very low	32.6	Very low	142 Å²	142	142 Å²	142	76%	0.759	75%	0.751	S	S	*	*			trans	-110.4	66.7	165.1	-165.8	31.3	0	0	0	107	V2 A6	V2-N4 HydrophobicContact CG1-CB 4.32Å; N4-A6 VanDerWaalsContact C-N 3.34Å; N4-A6 PolarHBondContact O-N 3.44Å
5	E	30.7	Very low	33.2	Very low	172 Å²	172	139.6 Å²	139.6	80%	0.804	75%	0.745	S	S	*	*			trans	-91.3	75.8	168.6	-71.7	-170.5	170.2	0	0	108.2	S7	E5-S7 PolarHBondContact O-N 3.02Å
6	A	32	Very low	34.4	Very low	90 Å²	90	141.1 Å²	141.1	74%	0.744	75%	0.753	S	S	*	*			trans	-85	54.5	153.4	0	0	0	0	0	108.2	N4 S8	N4-A6 VanDerWaalsContact C-N 3.34Å; N4-A6 PolarHBondContact O-N 3.44Å; A6-S8 PolarHBondContact O-N 3.26Å
7	S	33	Very low	35	Very low	89 Å²	89	140.7 Å²	140.7	62%	0.622	75%	0.751	S	S	*	*			trans	-71.7	108.5	159.7	159.9	0	0	0	0	105.4	E5 S9	E5-S7 PolarHBondContact O-N 3.02Å; S7-S9 PolarHBondContact O-N 2.88Å
8	S	31.9	Very low	35.6	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	76%	0.757	S	S	*	*			trans	-58	84.7	176.1	167.7	0	0	0	0	109.6	A6	A6-S8 PolarHBondContact O-N 3.26Å
9	S	31	Very low	36.1	Very low	86 Å²	86	146.8 Å²	146.8	60%	0.601	77%	0.766	S	S	*	*			trans	-65.6	131.2	169.4	-65.2	0	0	0	0	107.8	S7 Q11	S7-S9 PolarHBondContact O-N 2.88Å; S9-Q11 PolarHBondContact O-N 2.72Å
10	P	34.9	Very low	36.6	Very low	99 Å²	99	144.2 Å²	144.2	64%	0.643	76%	0.76	S	S	*	*			trans	-52	119.2	173.5	-25.5	33.7	0	0	0	109.4	Y12	P10-Y12 HydrophobicContact CB-CE2 4.49Å; P10-Y12 VanDerWaalsContact O-CD2 3.28Å; P10-Y12 WeakPolarHBondContact O-CD2 3.28Å; P10-Y12 PolarHBondContact O-N 3.25Å
11	Q	32.6	Very low	36.9	Very low	149 Å²	149	145.9 Å²	145.9	70%	0.696	77%	0.769	S	S	*	*			trans	-66.6	97.8	177.9	-74.8	176.2	-36.6	0	0	108.5	S9 Y13	S9-Q11 PolarHBondContact O-N 2.72Å; Q11-Y13 HydrophobicContact CB-CD2 4.24Å; Q11-Y13 HydrophobicContact CB-CE1 4.35Å; Q11-Y13 HydrophobicContact CB-CE2 3.62Å; Q11-Y13 PolarHBondContact O-N 3.38Å; Q11-Y13 PolarHBondContact OE1-OH 2.89Å
12	Y	33	Very low	37.4	Very low	196 Å²	196	145.5 Å²	145.5	77%	0.769	76%	0.756	S	S	*	*			trans	-70.8	107.6	163	-69.4	-85.4	0	0	0	107.5	P10	P10-Y12 HydrophobicContact CB-CE2 4.49Å; P10-Y12 VanDerWaalsContact O-CD2 3.28Å; P10-Y12 WeakPolarHBondContact O-CD2 3.28Å; P10-Y12 PolarHBondContact O-N 3.25Å
13	Y	35.5	Very low	38.4	Very low	161 Å²	161	145 Å²	145	63%	0.631	75%	0.753	S	S	*	*			trans	-95.5	117.7	163.9	-55.7	-76.8	0	0	0	107.7	Q11 T15	Q11-Y13 HydrophobicContact CB-CD2 4.24Å; Q11-Y13 HydrophobicContact CB-CE1 4.35Å; Q11-Y13 HydrophobicContact CB-CE2 3.62Å; Q11-Y13 PolarHBondContact O-N 3.38Å; Q11-Y13 PolarHBondContact OE1-OH 2.89Å; Y13-T15 PolarHBondContact O-N 2.87Å
14	F	34.1	Very low	39.4	Very low	191 Å²	191	142.2 Å²	142.2	84%	0.838	75%	0.749	S	S	*	*			trans	-75.4	114.3	161.8	-60.6	-84.4	0	0	0	106.7
15	T	42	Very low	39.9	Very low	106 Å²	106	141.8 Å²	141.8	65%	0.65	75%	0.751	S	S	*	*			trans	-99.2	130.2	160.8	52.5	0	0	0	0	107.1	Y13 D17	Y13-T15 PolarHBondContact O-N 2.87Å; T15-D17 PolarHBondContact O-N 3.1Å
16	D	51.7	Low	40.5	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	74%	0.742	S	S	*	*	S	Bend	trans	-66.2	-3.3	-172.8	-76.4	-32.1	0	0	0	114.5
17	D	44.4	Very low	41.1	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	73%	0.725	S	S	*	*	S	Bend	trans	-116.5	123.8	-177	-67.2	-35.9	0	0	0	112.4	T15	T15-D17 PolarHBondContact O-N 3.1Å
18	E	46.7	Very low	41.9	Very low	185 Å²	185	136.7 Å²	136.7	86%	0.864	72%	0.717	S	S	*	*	S	Bend	trans	27.4	109.1	157.1	-59.6	-163.8	148.9	0	0	119.1	S20	E18-S20 PolarHBondContact O-N 2.7Å
19	K	44.7	Very low	42.8	Very low	213 Å²	213	139.2 Å²	139.2	93%	0.926	72%	0.716	S	S	*	*			trans	14.2	72.9	155.1	-70.8	-178.8	179.1	176.5	0	115.1	L21	K19-L21 PolarHBondContact O-N 3.06Å; K19-L21 VanDerWaalsContact O-N 3.1Å
20	S	45	Very low	43.5	Very low	93 Å²	93	141.2 Å²	141.2	65%	0.65	72%	0.721	S	S	*	*			trans	-63.8	115.3	169.6	173.8	0	0	0	0	109.4	E18 R22	E18-S20 PolarHBondContact O-N 2.7Å; S20-R22 PolarHBondContact O-N 3.31Å
21	L	43.4	Very low	44	Very low	180 Å²	180	139 Å²	139	94%	0.942	71%	0.705	S	S	*	*			trans	-68.1	77.6	164.5	-68	166.1	0	0	0	108.6	K19	K19-L21 PolarHBondContact O-N 3.06Å; K19-L21 VanDerWaalsContact O-N 3.1Å
22	R	44.8	Very low	44.4	Very low	203 Å²	203	137 Å²	137	77%	0.766	71%	0.714	S	S	*	*			trans	-90.3	119.6	177.8	-174.7	173.8	171.1	178.9	-4.2	110	S20 S24	S20-R22 PolarHBondContact O-N 3.31Å; R22-S24 PolarHBondContact O-N 3.25Å
23	T	53.1	Low	45.2	Very low	126 Å²	126	130.9 Å²	130.9	77%	0.773	71%	0.711	S	S	*	*			trans	-70.6	107.1	162.7	-54.1	0	0	0	0	108.2
24	S	52.8	Low	46.2	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	69%	0.694	S	S	*	*			trans	-83.2	122.7	168.6	54.6	0	0	0	0	109.2	R22	R22-S24 PolarHBondContact O-N 3.25Å
25	V	40.1	Very low	47.9	Very low	132 Å²	132	122.9 Å²	122.9	80%	0.8	69%	0.688	S	S	*	*			trans	-96.5	106	167.9	178.6	0	0	0	0	106.7
26	T	43.5	Very low	49.4	Very low	100 Å²	100	119.3 Å²	119.3	61%	0.613	66%	0.663	S	S	*	*			trans	-89.5	111	168	-57	0	0	0	0	107	L28	T26-L28 PolarHBondContact O-N 3.24Å
27	S	45.2	Very low	50.8	Low	56 Å²	56	112 Å²	112	39%	0.392	62%	0.624	S	S	.	*			trans	-66.6	132.9	167.3	-179.5	0	0	0	0	108	Q29 D30	S27-Q29 PolarHBondContact O-N 3.11Å; S27-Q29 PolarHBondContact OG-N 3.06Å; S27-D30 WeakPolarHBondContact O-CB 3.47Å; S27-D30 PolarHBondContact O-N 3.26Å
28	L	49.8	Very low	52.8	Low	88 Å²	88	106.1 Å²	106.1	46%	0.461	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-57.4	-20.1	175.7	-68.9	175.4	0	0	0	112.5	T26 D30 T31 A140	T26-L28 PolarHBondContact O-N 3.24Å; L28-D30 VanDerWaalsContact C-N 3.31Å; L28-T31 PolarHBondContact O-OG1 3.28Å; L28-A140 HydrophobicContact CD2-CB 3.71Å
29	Q	49.6	Very low	54.8	Low	168 Å²	168	97.7 Å²	97.7	79%	0.785	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-72.1	-23	174.8	-65.4	176.2	-4	0	0	113.2	S27 T31	S27-Q29 PolarHBondContact O-N 3.11Å; S27-Q29 PolarHBondContact OG-N 3.06Å; Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 2.97Å
30	D	45.8	Very low	56.5	Low	129 Å²	129	92.2 Å²	92.2	69%	0.69	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-87.6	1.6	-173.8	-148	10.5	0	0	0	112.8	S27 L28 A32	S27-D30 WeakPolarHBondContact O-CB 3.47Å; S27-D30 PolarHBondContact O-N 3.26Å; L28-D30 VanDerWaalsContact C-N 3.31Å; D30-A32 PolarHBondContact O-N 3.48Å
31	T	46	Very low	58.2	Low	52 Å²	52	89.7 Å²	89.7	32%	0.319	52%	0.516	S	S	.	.			trans	-81	70.2	169.5	65.3	0	0	0	0	109.4	L28 Q29 G33 N34	L28-T31 PolarHBondContact O-OG1 3.28Å; Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 2.97Å; T31-G33 PolarHBondContact O-N 3.2Å; T31-N34 PolarHBondContact O-N 2.77Å
32	A	42.2	Very low	60.1	Low	107 Å²	107	84 Å²	84	88%	0.884	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	20.8	-175.3	0	0	0	0	0	115.9	D30	D30-A32 PolarHBondContact O-N 3.48Å
33	G	49.3	Very low	61.9	Low	68 Å²	68	74.7 Å²	74.7	70%	0.701	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.6	20.2	177.4	0	0	0	0	0	114.7	T31	T31-G33 PolarHBondContact O-N 3.2Å
34	N	55.9	Low	63.4	Low	53 Å²	53	72 Å²	72	28%	0.283	43%	0.427	S	S	.	.			trans	-95.5	119.1	-175.3	-158.8	-1.3	0	0	0	110	T31 Y36	T31-N34 PolarHBondContact O-N 2.77Å; N34-Y36 HydrophobicContact CB-CD1 3.48Å; N34-Y36 VanDerWaalsContact CB-CD1 3.48Å; N34-Y36 HydrophobicContact CB-CE1 3.45Å; N34-Y36 VanDerWaalsContact CB-CE1 3.45Å; N34-Y36 WeakPolarHBondContact ND2-CD1 3.39Å; N34-Y36 WeakPolarHBondContact ND2-CE1 2.95Å; N34-Y36 PolarHBondContact O-N 3Å; N34-Y36 WeakPolarHBondContact OD1-CD1 3.17Å
35	D	69.4	Low	64.9	Low	131 Å²	131	71.5 Å²	71.5	70%	0.701	41%	0.413	S	S	*	.			trans	-72.2	11.4	-171.8	-68.1	-33.4	0	0	0	114.6	Q64	D35-Q64 VanDerWaalsContact CB-NE2 3.25Å; D35-Q64 VanDerWaalsContact O-CG 3.26Å; D35-Q64 WeakPolarHBondContact O-CG 3.26Å; D35-Q64 PolarHBondContact O-NE2 3Å
36	Y	73.3	Confident	67.1	Low	31 Å²	31	65.2 Å²	65.2	12%	0.122	38%	0.375	C	S	.	.			trans	-90.7	147.2	-172.5	75	-66.9	0	0	0	113	N34 C38 N139 A140	N34-Y36 HydrophobicContact CB-CD1 3.48Å; N34-Y36 VanDerWaalsContact CB-CD1 3.48Å; N34-Y36 HydrophobicContact CB-CE1 3.45Å; N34-Y36 VanDerWaalsContact CB-CE1 3.45Å; N34-Y36 WeakPolarHBondContact ND2-CD1 3.39Å; N34-Y36 WeakPolarHBondContact ND2-CE1 2.95Å; N34-Y36 PolarHBondContact O-N 3Å; N34-Y36 WeakPolarHBondContact OD1-CD1 3.17Å; Y36-C38 VanDerWaalsContact CD2-SG 3.54Å; Y36-C38 WeakPolarHBondContact CE2-SG 3.39Å; Y36-N139 HydrophobicContact CD2-CB 3.69Å; Y36-N139 HydrophobicContact CE2-CB 4.43Å; Y36-A140 HydrophobicContact CD2-CB 4.41Å; Y36-A140 HydrophobicContact CE2-CB 3.53Å
37	L	82.1	Confident	69.3	Low	11 Å²	11	60.4 Å²	60.4	6%	0.058	35%	0.345	C	S	.	.			trans	-87.9	126.6	179.3	-166.5	68	0	0	0	110.3	L49 V61 A66 N139	L37-L49 HydrophobicContact CD1-CB 4.01Å; L37-L49 HydrophobicContact CD1-CD1 4.15Å; L37-L49 HydrophobicContact CD1-CD2 4.47Å; L37-L49 HydrophobicContact CD1-CG 4.43Å; L37-L49 HydrophobicContact CD2-CD1 4.07Å; L37-L49 HydrophobicContact CD2-CD2 4.31Å; L37-L49 HydrophobicContact CG-CD1 4.41Å; L37-L49 HydrophobicContact CG-CD2 4.2Å; L37-V61 HydrophobicContact CD2-CG1 4.4Å; L37-A66 HydrophobicContact CD2-CB 3.6Å; L37-N139 PolarHBondContact O-ND2 3.41Å
38	C	86.1	Confident	71	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.068	33%	0.333	C	S	.	.			trans	-122.3	148.5	177	-91.6	0	0	0	0	111.3	Y36 L49 T50 N136	Y36-C38 VanDerWaalsContact CD2-SG 3.54Å; Y36-C38 WeakPolarHBondContact CE2-SG 3.39Å; C38-L49 CarbonylContact O-C 3.46Å; C38-L49 VanDerWaalsContact O-CA 3.28Å; C38-L49 WeakPolarHBondContact O-CA 3.45Å; C38-T50 HydrophobicContact CB-CG2 3.43Å; C38-T50 VanDerWaalsContact CB-CG2 3.43Å; C38-T50 PolarHBondContact N-OG1 3.41Å; C38-T50 PolarHBondContact O-N 2.87Å; C38-N136 WeakPolarHBondContact CA-OD1 3.48Å
39	I	87.7	Confident	72.6	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.3	168.9	-58	95	0	0	0	108.4	F47 R48 L49 M59 C132 L135 N136 L149	I39-F47 HydrophobicContact CG2-CB 4.49Å; I39-F47 HydrophobicContact CG2-CD1 4.11Å; I39-R48 CarbonylContact C-O 3.59Å; I39-L49 HydrophobicContact CG1-CD2 4.18Å; I39-M59 HydrophobicContact CG1-CE 3.9Å; I39-C132 HydrophobicContact CB-CB 4.34Å; I39-C132 HydrophobicContact CG2-CB 4.2Å; I39-L135 HydrophobicContact CD1-CD2 3.68Å; I39-L135 HydrophobicContact CD1-CG 4.36Å; I39-N136 PolarHBondContact N-OD1 3.28Å; I39-N136 PolarHBondContact O-ND2 3.32Å; I39-L149 HydrophobicContact CD1-CD1 3.84Å; I39-L149 HydrophobicContact CG1-CD1 3.98Å
40	L	82	Confident	73.9	Confident	99 Å²	99	50.6 Å²	50.6	52%	0.518	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-42.9	177	-74.1	-178.4	0	0	0	112.3	R48 T50	L40-R48 HydrophobicContact CB-CG 4.42Å; L40-R48 PolarHBondContact N-O 3.46Å; L40-T50 HydrophobicContact CD1-CG2 4.34Å; L40-T50 HydrophobicContact CD2-CG2 3.67Å; L40-T50 HydrophobicContact CG-CG2 3.79Å
41	S	79.5	Confident	75.4	Confident	39 Å²	39	49.2 Å²	49.2	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	163.2	-178.3	70.8	0	0	0	0	110.3	R48	S41-R48 PolarHBondContact N-O 3.5Å; S41-R48 PolarHBondContact O-N 3.5Å; S41-R48 VanDerWaalsContact OG-CB 3.25Å; S41-R48 WeakPolarHBondContact OG-CB 3.47Å
42	Y	84.1	Confident	76.7	Confident	60 Å²	60	48.9 Å²	48.9	24%	0.235	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.2	174.1	60.2	-93.6	0	0	0	109.6	G46 F47 T128 R129 C132 V152 L155	Y42-G46 CarbonylContact C-O 3.59Å; Y42-G46 WeakPolarHBondContact CA-O 3.42Å; Y42-G46 WeakPolarHBondContact CB-O 3.25Å; Y42-F47 HydrophobicContact CG-CE1 4.47Å; Y42-T128 HydrophobicContact CD2-CG2 4.26Å; Y42-T128 HydrophobicContact CG-CG2 4.31Å; Y42-R129 VanDerWaalsContact OH-CA 3.25Å; Y42-R129 WeakPolarHBondContact OH-CA 3.48Å; Y42-R129 WeakPolarHBondContact OH-CB 3.49Å; Y42-R129 WeakPolarHBondContact OH-CG 3.31Å; Y42-C132 HydrophobicContact CD1-CB 4.2Å; Y42-C132 HydrophobicContact CE1-CB 4.32Å; Y42-V152 HydrophobicContact CD2-CG1 4.21Å; Y42-V152 HydrophobicContact CD2-CG2 4.25Å; Y42-V152 HydrophobicContact CE2-CG1 3.92Å; Y42-V152 HydrophobicContact CE2-CG2 4.36Å; Y42-L155 WeakPolarHBondContact O-CD1 3.3Å
43	N	82.3	Confident	78.5	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-168.9	170.3	67.5	1.6	0	0	0	110.4	F45 G46 F54 L155 D176 V179	N43-F45 PolarHBondContact O-N 3.27Å; N43-F45 WeakPolarHBondContact OD1-CB 3.45Å; N43-F45 PolarHBondContact OD1-N 2.76Å; N43-G46 PolarHBondContact N-O 3.48Å; N43-G46 PolarHBondContact O-N 3.45Å; N43-G46 PolarHBondContact OD1-N 2.91Å; N43-F54 WeakPolarHBondContact OD1-CZ 2.98Å; N43-L155 HydrophobicContact CB-CD1 3.87Å; N43-D176 PolarHBondContact ND2-OD1 3.43Å; N43-D176 VanDerWaalsContact ND2-OD1 3.07Å; N43-V179 WeakPolarHBondContact ND2-CG1 3.44Å
44	E	83.9	Confident	80	Confident	69 Å²	69	45.3 Å²	45.3	32%	0.322	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.5	178.9	63	-92.1	-148.7	0	0	114	V152	E44-V152 WeakPolarHBondContact CA-O 3.08Å; E44-V152 WeakPolarHBondContact CB-O 3.36Å
45	F	85.4	Confident	81.4	Confident	82 Å²	82	43.7 Å²	43.7	36%	0.36	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.4	-179.6	-58	-69.8	0	0	0	113.3	N43 F54 V56 G57 I183	N43-F45 PolarHBondContact O-N 3.27Å; N43-F45 WeakPolarHBondContact OD1-CB 3.45Å; N43-F45 PolarHBondContact OD1-N 2.76Å; F45-F54 HydrophobicContact CB-CE1 4.36Å; F45-F54 HydrophobicContact CB-CZ 4.26Å; F45-V56 CarbonylContact O-C 3.55Å; F45-V56 WeakPolarHBondContact O-CA 3.39Å; F45-G57 PolarHBondContact O-N 2.99Å; F45-I183 HydrophobicContact CB-CD1 3.56Å; F45-I183 HydrophobicContact CD1-CD1 4.29Å; F45-I183 HydrophobicContact CD2-CD1 4.24Å; F45-I183 HydrophobicContact CG-CD1 3.77Å
46	G	87.1	Confident	82.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-147.4	-176.9	0	0	0	0	0	115	Y42 N43 V55	Y42-G46 CarbonylContact C-O 3.59Å; Y42-G46 WeakPolarHBondContact CA-O 3.42Å; Y42-G46 WeakPolarHBondContact CB-O 3.25Å; N43-G46 PolarHBondContact N-O 3.48Å; N43-G46 PolarHBondContact O-N 3.45Å; N43-G46 PolarHBondContact OD1-N 2.91Å; G46-V55 CarbonylContact C-O 3.58Å; G46-V55 VanDerWaalsContact CA-O 3.31Å; G46-V55 WeakPolarHBondContact CA-O 3.17Å
47	F	87.9	Confident	83	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.9	-162.5	-57	-87.8	0	0	0	112.2	I39 Y42 F54 V55 M59 T128 L149 P151	I39-F47 HydrophobicContact CG2-CB 4.49Å; I39-F47 HydrophobicContact CG2-CD1 4.11Å; Y42-F47 HydrophobicContact CG-CE1 4.47Å; F47-F54 CarbonylContact O-C 3.53Å; F47-F54 WeakPolarHBondContact O-CA 3.41Å; F47-F54 WeakPolarHBondContact O-CD2 3.23Å; F47-V55 PolarHBondContact N-O 2.9Å; F47-V55 PolarHBondContact O-N 3.22Å; F47-M59 HydrophobicContact CB-CE 3.49Å; F47-M59 VanDerWaalsContact CB-CE 3.49Å; F47-M59 HydrophobicContact CB-SD 4.05Å; F47-M59 HydrophobicContact CD1-CE 4.11Å; F47-M59 HydrophobicContact CD2-CB 3.81Å; F47-M59 HydrophobicContact CD2-CE 3.92Å; F47-M59 HydrophobicContact CD2-SD 4.46Å; F47-M59 HydrophobicContact CE2-CB 4.14Å; F47-M59 HydrophobicContact CG-CE 3.57Å; F47-M59 HydrophobicContact CG-SD 4.44Å; F47-T128 HydrophobicContact CE1-CG2 3.62Å; F47-T128 HydrophobicContact CZ-CG2 4Å; F47-L149 HydrophobicContact CD1-CD1 4.27Å; F47-L149 HydrophobicContact CE1-CB 3.77Å; F47-L149 HydrophobicContact CE1-CD1 4.11Å; F47-L149 HydrophobicContact CE2-CB 3.96Å; F47-L149 HydrophobicContact CZ-CB 3.45Å; F47-L149 VanDerWaalsContact CZ-CB 3.45Å; F47-P151 HydrophobicContact CE2-CG 3.87Å; F47-P151 HydrophobicContact CZ-CG 4.34Å
48	R	82	Confident	83.6	Confident	33 Å²	33	41 Å²	41	13%	0.125	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.9	171.2	-174.3	168.2	-67.1	-71.2	-4.2	110.1	I39 L40 S41 G52 F54 V179 Q182	I39-R48 CarbonylContact C-O 3.59Å; L40-R48 HydrophobicContact CB-CG 4.42Å; L40-R48 PolarHBondContact N-O 3.46Å; S41-R48 PolarHBondContact N-O 3.5Å; S41-R48 PolarHBondContact O-N 3.5Å; S41-R48 VanDerWaalsContact OG-CB 3.25Å; S41-R48 WeakPolarHBondContact OG-CB 3.47Å; R48-G52 PolarHBondContact NH1-O 2.88Å; R48-F54 HydrophobicContact CB-CD2 4.05Å; R48-V179 VanDerWaalsContact NH2-CG2 3.32Å; R48-Q182 VanDerWaalsContact NH2-NE2 3.14Å
49	L	82.2	Confident	83.9	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	159.8	-178.8	-58.1	172.9	0	0	0	111.5	L37 C38 I39 N51 G52 V53 V55 M59 A66	L37-L49 HydrophobicContact CD1-CB 4.01Å; L37-L49 HydrophobicContact CD1-CD1 4.15Å; L37-L49 HydrophobicContact CD1-CD2 4.47Å; L37-L49 HydrophobicContact CD1-CG 4.43Å; L37-L49 HydrophobicContact CD2-CD1 4.07Å; L37-L49 HydrophobicContact CD2-CD2 4.31Å; L37-L49 HydrophobicContact CG-CD1 4.41Å; L37-L49 HydrophobicContact CG-CD2 4.2Å; C38-L49 CarbonylContact O-C 3.46Å; C38-L49 VanDerWaalsContact O-CA 3.28Å; C38-L49 WeakPolarHBondContact O-CA 3.45Å; I39-L49 HydrophobicContact CG1-CD2 4.18Å; L49-N51 WeakPolarHBondContact CB-OD1 3.31Å; L49-N51 PolarHBondContact O-N 3.02Å; L49-G52 PolarHBondContact O-N 3.4Å; L49-V53 HydrophobicContact CD1-CB 4.39Å; L49-V53 PolarHBondContact N-O 2.88Å; L49-V55 HydrophobicContact CD1-CG2 3.75Å; L49-V55 HydrophobicContact CG-CG2 4.47Å; L49-M59 HydrophobicContact CD1-SD 4.35Å; L49-M59 HydrophobicContact CD2-CE 4.03Å; L49-M59 HydrophobicContact CD2-SD 4.01Å; L49-A66 HydrophobicContact CD1-CB 3.62Å
50	T	78.3	Confident	84.2	Confident	69 Å²	69	40.3 Å²	40.3	42%	0.423	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.9	178.5	39.9	0	0	0	0	114.3	C38 L40 G52	C38-T50 HydrophobicContact CB-CG2 3.43Å; C38-T50 VanDerWaalsContact CB-CG2 3.43Å; C38-T50 PolarHBondContact N-OG1 3.41Å; C38-T50 PolarHBondContact O-N 2.87Å; L40-T50 HydrophobicContact CD1-CG2 4.34Å; L40-T50 HydrophobicContact CD2-CG2 3.67Å; L40-T50 HydrophobicContact CG-CG2 3.79Å; T50-G52 PolarHBondContact O-N 3.46Å
51	N	76.9	Confident	84.7	Confident	101 Å²	101	35.6 Å²	35.6	54%	0.54	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	5.6	176.6	66.4	4.1	0	0	0	114	L49 V53	L49-N51 WeakPolarHBondContact CB-OD1 3.31Å; L49-N51 PolarHBondContact O-N 3.02Å; N51-V53 VanDerWaalsContact C-N 3.29Å; N51-V53 PolarHBondContact O-N 2.96Å; N51-V53 VanDerWaalsContact OD1-CB 3.23Å; N51-V53 WeakPolarHBondContact OD1-CB 3.28Å; N51-V53 WeakPolarHBondContact OD1-CG2 3.29Å; N51-V53 PolarHBondContact OD1-N 2.88Å
52	G	73.7	Confident	85.1	Confident	45 Å²	45	35.8 Å²	35.8	46%	0.464	20%	0.202	S	C	.	.	S	Bend	trans	84.4	-6.2	180	0	0	0	0	0	114.7	R48 L49 T50	R48-G52 PolarHBondContact NH1-O 2.88Å; L49-G52 PolarHBondContact O-N 3.4Å; T50-G52 PolarHBondContact O-N 3.46Å
53	V	79.6	Confident	84.9	Confident	70 Å²	70	34.4 Å²	34.4	42%	0.424	21%	0.206	S	C	.	.			trans	-70.8	138.8	176.1	177.6	0	0	0	0	110	L49 N51 V55	L49-V53 HydrophobicContact CD1-CB 4.39Å; L49-V53 PolarHBondContact N-O 2.88Å; N51-V53 VanDerWaalsContact C-N 3.29Å; N51-V53 PolarHBondContact O-N 2.96Å; N51-V53 VanDerWaalsContact OD1-CB 3.23Å; N51-V53 WeakPolarHBondContact OD1-CB 3.28Å; N51-V53 WeakPolarHBondContact OD1-CG2 3.29Å; N51-V53 PolarHBondContact OD1-N 2.88Å; V53-V55 HydrophobicContact CG1-CG2 4.23Å
54	F	81.4	Confident	84.9	Confident	29 Å²	29	40.1 Å²	40.1	13%	0.127	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.5	167.4	-172.4	-94.2	0	0	0	109.1	N43 F45 F47 R48 V56 V179 I183	N43-F54 WeakPolarHBondContact OD1-CZ 2.98Å; F45-F54 HydrophobicContact CB-CE1 4.36Å; F45-F54 HydrophobicContact CB-CZ 4.26Å; F47-F54 CarbonylContact O-C 3.53Å; F47-F54 WeakPolarHBondContact O-CA 3.41Å; F47-F54 WeakPolarHBondContact O-CD2 3.23Å; R48-F54 HydrophobicContact CB-CD2 4.05Å; F54-V56 HydrophobicContact CD1-CG2 3.88Å; F54-V56 HydrophobicContact CE1-CG2 3.94Å; F54-V179 HydrophobicContact CD1-CG1 4.13Å; F54-V179 HydrophobicContact CD2-CG1 4.12Å; F54-V179 HydrophobicContact CD2-CG2 3.95Å; F54-V179 HydrophobicContact CE1-CG1 3.58Å; F54-V179 HydrophobicContact CE2-CB 4.37Å; F54-V179 HydrophobicContact CE2-CG1 3.57Å; F54-V179 HydrophobicContact CE2-CG2 3.78Å; F54-V179 HydrophobicContact CG-CG1 4.38Å; F54-V179 HydrophobicContact CZ-CB 4.48Å; F54-V179 HydrophobicContact CZ-CG1 3.27Å; F54-V179 HydrophobicContact CZ-CG2 4.37Å; F54-I183 HydrophobicContact CD1-CG1 4.36Å; F54-I183 HydrophobicContact CE1-CD1 3.93Å; F54-I183 HydrophobicContact CE1-CG1 4.18Å
55	V	85.1	Confident	85.1	Confident	20 Å²	20	40.5 Å²	40.5	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.4	176.1	-179.1	0	0	0	0	108.1	G46 F47 L49 V53 M59 A66	G46-V55 CarbonylContact C-O 3.58Å; G46-V55 VanDerWaalsContact CA-O 3.31Å; G46-V55 WeakPolarHBondContact CA-O 3.17Å; F47-V55 PolarHBondContact N-O 2.9Å; F47-V55 PolarHBondContact O-N 3.22Å; L49-V55 HydrophobicContact CD1-CG2 3.75Å; L49-V55 HydrophobicContact CG-CG2 4.47Å; V53-V55 HydrophobicContact CG1-CG2 4.23Å; V55-M59 HydrophobicContact CB-CG 4.43Å; V55-M59 HydrophobicContact CB-SD 3.79Å; V55-M59 HydrophobicContact CG1-CB 4.04Å; V55-M59 HydrophobicContact CG1-CG 4.01Å; V55-M59 HydrophobicContact CG1-SD 4.04Å; V55-M59 HydrophobicContact CG2-SD 3.71Å; V55-A66 HydrophobicContact CG2-CB 4.37Å
56	V	86.1	Confident	85.3	Confident	82 Å²	82	38.1 Å²	38.1	50%	0.497	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.2	177.7	-176	0	0	0	0	109.6	F45 F54 I183	F45-V56 CarbonylContact O-C 3.55Å; F45-V56 WeakPolarHBondContact O-CA 3.39Å; F54-V56 HydrophobicContact CD1-CG2 3.88Å; F54-V56 HydrophobicContact CE1-CG2 3.94Å; V56-I183 HydrophobicContact CG2-CD1 4.47Å; V56-I183 HydrophobicContact CG2-CG1 3.95Å
57	G	89.7	Confident	85.4	Confident	17 Å²	17	41.9 Å²	41.9	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	80.4	-165.6	179.5	0	0	0	0	0	113.6	F45	F45-G57 PolarHBondContact O-N 2.99Å
58	P	94.3	Very high	85.5	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.104	29%	0.285	C	S	.	.			trans	-62.5	146.3	177.7	-26	39.4	0	0	0	112.8	W69 V71 L149 F150	P58-W69 HydrophobicContact CB-CB 4.13Å; P58-W69 HydrophobicContact CB-CE3 3.94Å; P58-W69 PolarHBondContact O-N 2.83Å; P58-V71 VanDerWaalsContact CG-O 3.26Å; P58-V71 WeakPolarHBondContact CG-O 3.28Å; P58-L149 VanDerWaalsContact CA-O 3.31Å; P58-L149 WeakPolarHBondContact CA-O 3.32Å; P58-F150 HydrophobicContact CB-CD2 3.96Å; P58-F150 HydrophobicContact CB-CE2 4.4Å; P58-F150 HydrophobicContact CG-CD2 3.41Å; P58-F150 VanDerWaalsContact CG-CD2 3.41Å; P58-F150 HydrophobicContact CG-CE2 3.41Å; P58-F150 VanDerWaalsContact CG-CE2 3.41Å; P58-F150 HydrophobicContact CG-CG 4.26Å; P58-F150 HydrophobicContact CG-CZ 4.26Å
59	M	94	Very high	86	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.6	-169.5	-178.9	176.8	65.3	0	0	110.6	I39 F47 L49 V55 V61 A66 L67 L149	I39-M59 HydrophobicContact CG1-CE 3.9Å; F47-M59 HydrophobicContact CB-CE 3.49Å; F47-M59 VanDerWaalsContact CB-CE 3.49Å; F47-M59 HydrophobicContact CB-SD 4.05Å; F47-M59 HydrophobicContact CD1-CE 4.11Å; F47-M59 HydrophobicContact CD2-CB 3.81Å; F47-M59 HydrophobicContact CD2-CE 3.92Å; F47-M59 HydrophobicContact CD2-SD 4.46Å; F47-M59 HydrophobicContact CE2-CB 4.14Å; F47-M59 HydrophobicContact CG-CE 3.57Å; F47-M59 HydrophobicContact CG-SD 4.44Å; L49-M59 HydrophobicContact CD1-SD 4.35Å; L49-M59 HydrophobicContact CD2-CE 4.03Å; L49-M59 HydrophobicContact CD2-SD 4.01Å; V55-M59 HydrophobicContact CB-CG 4.43Å; V55-M59 HydrophobicContact CB-SD 3.79Å; V55-M59 HydrophobicContact CG1-CB 4.04Å; V55-M59 HydrophobicContact CG1-CG 4.01Å; V55-M59 HydrophobicContact CG1-SD 4.04Å; V55-M59 HydrophobicContact CG2-SD 3.71Å; M59-V61 HydrophobicContact CE-CG2 3.57Å; M59-V61 HydrophobicContact CG-CG2 4.03Å; M59-V61 HydrophobicContact SD-CG2 4.03Å; M59-A66 HydrophobicContact CG-CB 4.19Å; M59-A66 HydrophobicContact SD-CB 3.78Å; M59-L67 CarbonylContact C-O 3.58Å; M59-L67 VanDerWaalsContact CA-O 3.32Å; M59-L67 WeakPolarHBondContact CA-O 3.36Å; M59-L149 HydrophobicContact CE-CD1 3.82Å; M59-L149 PolarHBondContact N-O 2.93Å; M59-L149 PolarHBondContact O-N 2.96Å
60	A	93.8	Very high	86.3	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.8	164.8	0	0	0	0	0	109.3	L62 A66 L67 W69 G147 L148	A60-L62 HydrophobicContact CB-CD1 4.06Å; A60-A66 CarbonylContact O-C 3.49Å; A60-A66 WeakPolarHBondContact O-CA 3.35Å; A60-L67 HydrophobicContact CB-CB 4.42Å; A60-L67 PolarHBondContact N-O 3.23Å; A60-L67 PolarHBondContact O-N 3.25Å; A60-W69 HydrophobicContact CB-CB 4.4Å; A60-G147 CarbonylContact C-O 3.58Å; A60-G147 VanDerWaalsContact CA-O 3.26Å; A60-G147 WeakPolarHBondContact CA-O 3.2Å; A60-L148 HydrophobicContact CB-CD2 3.58Å
61	V	92.2	Very high	86.8	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	177.9	-179	0	0	0	0	108.3	L37 M59 V65 L135 V146 G147	L37-V61 HydrophobicContact CD2-CG1 4.4Å; M59-V61 HydrophobicContact CE-CG2 3.57Å; M59-V61 HydrophobicContact CG-CG2 4.03Å; M59-V61 HydrophobicContact SD-CG2 4.03Å; V61-V65 CarbonylContact C-O 3.58Å; V61-V65 WeakPolarHBondContact CA-O 3.46Å; V61-L135 HydrophobicContact CB-CD2 3.99Å; V61-L135 HydrophobicContact CG1-CD2 4.28Å; V61-L135 HydrophobicContact CG2-CD2 4.24Å; V61-V146 CarbonylContact O-C 3.58Å; V61-V146 WeakPolarHBondContact O-CA 3.4Å; V61-G147 PolarHBondContact N-O 3.4Å; V61-G147 PolarHBondContact O-N 2.96Å
62	L	87.3	Confident	87.3	Confident	42 Å²	42	51 Å²	51	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	102	179.7	-62.1	91.7	0	0	0	108.5	A60 Q64 V65 L67 I88 V146	A60-L62 HydrophobicContact CB-CD1 4.06Å; L62-Q64 PolarHBondContact O-N 2.99Å; L62-V65 PolarHBondContact N-O 2.95Å; L62-V65 PolarHBondContact O-N 2.68Å; L62-L67 HydrophobicContact CD1-CD1 3.98Å; L62-I88 HydrophobicContact CD2-CD1 3.47Å; L62-I88 VanDerWaalsContact CD2-CD1 3.47Å; L62-I88 HydrophobicContact CD2-CG1 3.92Å; L62-V146 HydrophobicContact CD2-CG2 4.38Å; L62-V146 HydrophobicContact CG-CG1 4.24Å; L62-V146 HydrophobicContact CG-CG2 4.23Å
63	G	80	Confident	88.1	Confident	31 Å²	31	51.9 Å²	51.9	32%	0.32	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-108.8	-175	0	0	0	0	0	111.9
64	Q	83	Confident	88.7	Confident	129 Å²	129	49.7 Å²	49.7	60%	0.603	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	0.7	-178.9	-60	-178.6	-14.2	0	0	113.9	D35 L62	D35-Q64 VanDerWaalsContact CB-NE2 3.25Å; D35-Q64 VanDerWaalsContact O-CG 3.26Å; D35-Q64 WeakPolarHBondContact O-CG 3.26Å; D35-Q64 PolarHBondContact O-NE2 3Å; L62-Q64 PolarHBondContact O-N 2.99Å
65	V	86.5	Confident	89.2	Confident	77 Å²	77	53.2 Å²	53.2	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.6	-173.7	-175	0	0	0	0	110.2	V61 L62 L67	V61-V65 CarbonylContact C-O 3.58Å; V61-V65 WeakPolarHBondContact CA-O 3.46Å; L62-V65 PolarHBondContact N-O 2.95Å; L62-V65 PolarHBondContact O-N 2.68Å; V65-L67 HydrophobicContact CG1-CD2 3.67Å; V65-L67 HydrophobicContact CG1-CG 3.93Å
66	A	90.2	Very high	89.6	Confident	32 Å²	32	56.5 Å²	56.5	26%	0.264	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.6	165.1	0	0	0	0	0	110.3	L37 L49 V55 M59 A60	L37-A66 HydrophobicContact CD2-CB 3.6Å; L49-A66 HydrophobicContact CD1-CB 3.62Å; V55-A66 HydrophobicContact CG2-CB 4.37Å; M59-A66 HydrophobicContact CG-CB 4.19Å; M59-A66 HydrophobicContact SD-CB 3.78Å; A60-A66 CarbonylContact O-C 3.49Å; A60-A66 WeakPolarHBondContact O-CA 3.35Å
67	L	88.8	Confident	90	Very high	80 Å²	80	52.6 Å²	52.6	42%	0.419	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.4	180	-57.4	175.8	0	0	0	109.2	M59 A60 L62 V65 W69	M59-L67 CarbonylContact C-O 3.58Å; M59-L67 VanDerWaalsContact CA-O 3.32Å; M59-L67 WeakPolarHBondContact CA-O 3.36Å; A60-L67 HydrophobicContact CB-CB 4.42Å; A60-L67 PolarHBondContact N-O 3.23Å; A60-L67 PolarHBondContact O-N 3.25Å; L62-L67 HydrophobicContact CD1-CD1 3.98Å; V65-L67 HydrophobicContact CG1-CD2 3.67Å; V65-L67 HydrophobicContact CG1-CG 3.93Å; L67-W69 PolarHBondContact O-N 3.48Å
68	S	90.5	Very high	90.2	Very high	93 Å²	93	54.3 Å²	54.3	65%	0.65	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.7	167.4	179.9	0	0	0	0	109.2
69	W	92.5	Very high	90.1	Very high	19 Å²	19	57.8 Å²	57.8	7%	0.072	33%	0.325	C	S	.	.			trans	-92.7	120.3	177.3	-178.5	32.7	0	0	0	109.3	P58 A60 L67 V71 I77 S81 L82 L97 L148	P58-W69 HydrophobicContact CB-CB 4.13Å; P58-W69 HydrophobicContact CB-CE3 3.94Å; P58-W69 PolarHBondContact O-N 2.83Å; A60-W69 HydrophobicContact CB-CB 4.4Å; L67-W69 PolarHBondContact O-N 3.48Å; W69-V71 HydrophobicContact CD2-CB 4.31Å; W69-V71 HydrophobicContact CD2-CG2 3.85Å; W69-V71 HydrophobicContact CG-CG2 4.22Å; W69-V71 HydrophobicContact CH2-CG2 4.39Å; W69-V71 HydrophobicContact CZ2-CG2 3.7Å; W69-V71 PolarHBondContact O-N 3.07Å; W69-I77 HydrophobicContact CH2-CB 4.28Å; W69-I77 HydrophobicContact CH2-CD1 3.83Å; W69-I77 HydrophobicContact CH2-CG1 3.66Å; W69-I77 HydrophobicContact CH2-CG2 3.73Å; W69-I77 HydrophobicContact CZ2-CG1 4.24Å; W69-I77 HydrophobicContact CZ2-CG2 4.06Å; W69-I77 HydrophobicContact CZ3-CD1 4.17Å; W69-I77 HydrophobicContact CZ3-CG1 4.31Å; W69-S81 PolarHBondContact NE1-O 2.94Å; W69-S81 VanDerWaalsContact NE1-O 3.17Å; W69-L82 HydrophobicContact CH2-CD2 4.12Å; W69-L82 HydrophobicContact CZ2-CD2 3.58Å; W69-L82 HydrophobicContact CZ2-CG 4.44Å; W69-L97 HydrophobicContact CH2-CD1 3.85Å; W69-L97 HydrophobicContact CZ3-CD1 4.09Å; W69-L148 HydrophobicContact CD2-CD2 4.33Å; W69-L148 HydrophobicContact CE3-CB 4.33Å; W69-L148 HydrophobicContact CH2-CB 4.34Å; W69-L148 HydrophobicContact CH2-CD1 4.46Å; W69-L148 HydrophobicContact CZ2-CD1 4.35Å; W69-L148 HydrophobicContact CZ3-CB 4.07Å
70	K	87.7	Confident	90.1	Very high	204 Å²	204	65.8 Å²	65.8	89%	0.887	36%	0.363	S	S	*	.			trans	-79.2	69.7	-171.5	-166.3	-174.8	178.5	-175	0	111.9
71	V	89.9	Confident	90	Very high	7 Å²	7	67 Å²	67	4%	0.042	37%	0.371	C	S	.	.			trans	-133.7	123.8	175.2	171.7	0	0	0	0	106.3	P58 W69 T73 E76 I77 F150	P58-V71 VanDerWaalsContact CG-O 3.26Å; P58-V71 WeakPolarHBondContact CG-O 3.28Å; W69-V71 HydrophobicContact CD2-CB 4.31Å; W69-V71 HydrophobicContact CD2-CG2 3.85Å; W69-V71 HydrophobicContact CG-CG2 4.22Å; W69-V71 HydrophobicContact CH2-CG2 4.39Å; W69-V71 HydrophobicContact CZ2-CG2 3.7Å; W69-V71 PolarHBondContact O-N 3.07Å; V71-T73 WeakPolarHBondContact CG1-O 3.37Å; V71-E76 HydrophobicContact CG1-CB 3.86Å; V71-I77 HydrophobicContact CG1-CG1 3.7Å; V71-F150 HydrophobicContact CG1-CD2 4.26Å; V71-F150 HydrophobicContact CG1-CE2 3.96Å
72	A	87.6	Confident	90.1	Very high	74 Å²	74	67 Å²	67	61%	0.612	37%	0.371	S	S	*	.	S	Bend	trans	-88.5	-32.5	-179.7	0	0	0	0	0	112.1	E76	A72-E76 WeakPolarHBondContact CB-OE2 3.05Å; A72-E76 PolarHBondContact N-OE2 2.81Å
73	T	90.6	Very high	90.2	Very high	64 Å²	64	67.7 Å²	67.7	39%	0.393	38%	0.377	S	S	.	.	S	Bend	trans	-135.4	157.5	-176.3	65.1	0	0	0	0	111	V71 D75 E76	V71-T73 WeakPolarHBondContact CG1-O 3.37Å; T73-D75 PolarHBondContact O-N 3.17Å; T73-D75 VanDerWaalsContact O-N 3.16Å; T73-E76 WeakPolarHBondContact O-CB 3.34Å; T73-E76 PolarHBondContact O-N 2.95Å; T73-E76 WeakPolarHBondContact OG1-CG 3.23Å
74	V	91	Very high	90.6	Very high	23 Å²	23	70 Å²	70	14%	0.139	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-56.9	-31.9	176.4	177	0	0	0	0	111.6	E76 I77 N104 L108 F150	V74-E76 VanDerWaalsContact C-N 3.26Å; V74-E76 PolarHBondContact O-N 3.37Å; V74-I77 HydrophobicContact CG1-CD1 4.35Å; V74-I77 WeakPolarHBondContact O-CB 3.36Å; V74-I77 WeakPolarHBondContact O-CG1 3.34Å; V74-I77 PolarHBondContact O-N 3.43Å; V74-I77 VanDerWaalsContact O-N 3.13Å; V74-N104 HydrophobicContact CG1-CB 3.88Å; V74-L108 HydrophobicContact CG1-CD1 4.23Å; V74-L108 HydrophobicContact CG1-CD2 4.04Å; V74-L108 HydrophobicContact CG1-CG 4.23Å; V74-F150 HydrophobicContact CG2-CD1 3.66Å; V74-F150 HydrophobicContact CG2-CE1 3.57Å; V74-F150 HydrophobicContact CG2-CG 4.24Å; V74-F150 HydrophobicContact CG2-CZ 4.05Å
75	D	91.8	Very high	91	Very high	103 Å²	103	64.1 Å²	64.1	55%	0.551	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22.2	178.1	-77.7	-47.5	0	0	0	114	T73 I77 R111	T73-D75 PolarHBondContact O-N 3.17Å; T73-D75 VanDerWaalsContact O-N 3.16Å; D75-I77 PolarHBondContact O-N 2.98Å; D75-R111 PolarHBondContact O-NH1 3.1Å; D75-R111 IonicContact OD1-CZ 3.25Å; D75-R111 IonicContact OD1-NH1 2.85Å; D75-R111 PolarHBondContact OD1-NH1 3.44Å; D75-R111 IonicContact OD1-NH2 3.6Å; D75-R111 PolarHBondContact OD1-NH2 3.44Å
76	E	93	Very high	91.3	Very high	90 Å²	90	63.2 Å²	63.2	42%	0.421	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-82.1	1	173.6	-71.4	170.8	-153.8	0	0	113.1	V71 A72 T73 V74 T78 S81	V71-E76 HydrophobicContact CG1-CB 3.86Å; A72-E76 WeakPolarHBondContact CB-OE2 3.05Å; A72-E76 PolarHBondContact N-OE2 2.81Å; T73-E76 WeakPolarHBondContact O-CB 3.34Å; T73-E76 PolarHBondContact O-N 2.95Å; T73-E76 WeakPolarHBondContact OG1-CG 3.23Å; V74-E76 VanDerWaalsContact C-N 3.26Å; V74-E76 PolarHBondContact O-N 3.37Å; E76-T78 VanDerWaalsContact C-N 3.27Å; E76-T78 PolarHBondContact O-N 2.83Å; E76-S81 PolarHBondContact O-OG 2.81Å
77	I	94.5	Very high	91.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.367	C	S	.	.			trans	-75.6	88.2	166.8	-54.2	174.8	0	0	0	107.6	W69 V71 V74 D75 L82 L108 L112 F150	W69-I77 HydrophobicContact CH2-CB 4.28Å; W69-I77 HydrophobicContact CH2-CD1 3.83Å; W69-I77 HydrophobicContact CH2-CG1 3.66Å; W69-I77 HydrophobicContact CH2-CG2 3.73Å; W69-I77 HydrophobicContact CZ2-CG1 4.24Å; W69-I77 HydrophobicContact CZ2-CG2 4.06Å; W69-I77 HydrophobicContact CZ3-CD1 4.17Å; W69-I77 HydrophobicContact CZ3-CG1 4.31Å; V71-I77 HydrophobicContact CG1-CG1 3.7Å; V74-I77 HydrophobicContact CG1-CD1 4.35Å; V74-I77 WeakPolarHBondContact O-CB 3.36Å; V74-I77 WeakPolarHBondContact O-CG1 3.34Å; V74-I77 PolarHBondContact O-N 3.43Å; V74-I77 VanDerWaalsContact O-N 3.13Å; D75-I77 PolarHBondContact O-N 2.98Å; I77-L82 HydrophobicContact CG2-CD1 4.12Å; I77-L82 HydrophobicContact CG2-CD2 4.41Å; I77-L82 HydrophobicContact CG2-CG 4.35Å; I77-L108 HydrophobicContact CB-CD2 3.89Å; I77-L108 HydrophobicContact CD1-CD1 3.8Å; I77-L108 HydrophobicContact CD1-CD2 4.25Å; I77-L108 HydrophobicContact CG2-CD2 4.16Å; I77-L112 HydrophobicContact CG2-CD1 3.89Å; I77-F150 HydrophobicContact CD1-CD2 4.29Å
78	T	93.8	Very high	91.4	Very high	53 Å²	53	65 Å²	65	33%	0.325	35%	0.351	S	S	.	.			trans	-114.1	169.4	-179.1	64.9	0	0	0	0	110	E76 E80 S81 L82	E76-T78 VanDerWaalsContact C-N 3.27Å; E76-T78 PolarHBondContact O-N 2.83Å; T78-E80 PolarHBondContact O-N 2.81Å; T78-E80 PolarHBondContact OG1-N 3.07Å; T78-S81 PolarHBondContact N-OG 3.26Å; T78-S81 PolarHBondContact O-N 3.25Å; T78-S81 PolarHBondContact O-OG 2.84Å; T78-S81 VanDerWaalsContact O-OG 3.11Å; T78-S81 PolarHBondContact OG1-N 2.82Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.33Å; T78-L82 PolarHBondContact O-N 3.49Å; T78-L82 VanDerWaalsContact O-N 3.13Å
79	E	94.2	Very high	91.3	Very high	89 Å²	89	68.1 Å²	68.1	42%	0.416	36%	0.356	S	S	.	.	H	α-helix	trans	-56.9	-35.4	172.9	-56.1	-176.2	-174.9	0	0	112	L82 T83 L112 F115	E79-L82 CarbonylContact O-C 3.48Å; E79-L82 PolarHBondContact O-N 3.08Å; E79-T83 PolarHBondContact O-N 3.03Å; E79-T83 PolarHBondContact O-OG1 2.78Å; E79-L112 HydrophobicContact CG-CD2 4.37Å; E79-F115 HydrophobicContact CB-CB 4.45Å; E79-F115 HydrophobicContact CB-CD2 3.62Å; E79-F115 HydrophobicContact CB-CE2 4.02Å; E79-F115 HydrophobicContact CB-CG 4.06Å; E79-F115 HydrophobicContact CG-CB 3.71Å; E79-F115 HydrophobicContact CG-CD2 3.82Å; E79-F115 HydrophobicContact CG-CG 3.85Å
80	E	92.2	Very high	91.2	Very high	168 Å²	168	71 Å²	71	79%	0.785	38%	0.377	S	S	*	.	H	α-helix	trans	-63.8	-46.7	175.9	-171.1	179.2	177.2	0	0	111.6	T78 L82 T83	T78-E80 PolarHBondContact O-N 2.81Å; T78-E80 PolarHBondContact OG1-N 3.07Å; E80-L82 PolarHBondContact O-N 2.97Å; E80-T83 WeakPolarHBondContact CA-OG1 3.31Å; E80-T83 WeakPolarHBondContact O-CB 3.31Å; E80-T83 PolarHBondContact O-N 3.23Å; E80-T83 PolarHBondContact O-OG1 3.42Å
81	S	91.8	Very high	91.4	Very high	28 Å²	28	65.6 Å²	65.6	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-70.5	-15.9	178.8	65.8	0	0	0	0	113.6	W69 E76 T78	W69-S81 PolarHBondContact NE1-O 2.94Å; W69-S81 VanDerWaalsContact NE1-O 3.17Å; E76-S81 PolarHBondContact O-OG 2.81Å; T78-S81 PolarHBondContact N-OG 3.26Å; T78-S81 PolarHBondContact O-N 3.25Å; T78-S81 PolarHBondContact O-OG 2.84Å; T78-S81 VanDerWaalsContact O-OG 3.11Å; T78-S81 PolarHBondContact OG1-N 2.82Å
82	L	93.9	Very high	91.5	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-99.5	-3.4	175.7	-64.1	176.6	0	0	0	113.9	W69 I77 T78 E79 E80 L84 L85 L112 F115 F116 L148	W69-L82 HydrophobicContact CH2-CD2 4.12Å; W69-L82 HydrophobicContact CZ2-CD2 3.58Å; W69-L82 HydrophobicContact CZ2-CG 4.44Å; I77-L82 HydrophobicContact CG2-CD1 4.12Å; I77-L82 HydrophobicContact CG2-CD2 4.41Å; I77-L82 HydrophobicContact CG2-CG 4.35Å; T78-L82 VanDerWaalsContact O-CG 3.32Å; T78-L82 WeakPolarHBondContact O-CG 3.33Å; T78-L82 PolarHBondContact O-N 3.49Å; T78-L82 VanDerWaalsContact O-N 3.13Å; E79-L82 CarbonylContact O-C 3.48Å; E79-L82 PolarHBondContact O-N 3.08Å; E80-L82 PolarHBondContact O-N 2.97Å; L82-L84 PolarHBondContact O-N 3.02Å; L82-L84 VanDerWaalsContact O-N 3.09Å; L82-L85 HydrophobicContact CB-CD1 4.24Å; L82-L85 HydrophobicContact CD2-CD1 4.08Å; L82-L85 VanDerWaalsContact O-CB 3.28Å; L82-L85 WeakPolarHBondContact O-CB 3.33Å; L82-L85 WeakPolarHBondContact O-CG 3.42Å; L82-L85 PolarHBondContact O-N 3.25Å; L82-L112 HydrophobicContact CD1-CD1 3.63Å; L82-L112 HydrophobicContact CD1-CD2 3.82Å; L82-L112 HydrophobicContact CD1-CG 4.24Å; L82-F115 HydrophobicContact CB-CE1 3.8Å; L82-F115 HydrophobicContact CB-CZ 4.19Å; L82-F116 HydrophobicContact CD1-CE1 3.91Å; L82-F116 HydrophobicContact CD1-CZ 3.79Å; L82-L148 HydrophobicContact CD2-CD1 3.24Å
83	T	91.2	Very high	91.7	Very high	57 Å²	57	66.8 Å²	66.8	35%	0.35	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60	-25.4	-179.3	-61.3	0	0	0	0	111.7	E79 E80 L85 T86	E79-T83 PolarHBondContact O-N 3.03Å; E79-T83 PolarHBondContact O-OG1 2.78Å; E80-T83 WeakPolarHBondContact CA-OG1 3.31Å; E80-T83 WeakPolarHBondContact O-CB 3.31Å; E80-T83 PolarHBondContact O-N 3.23Å; E80-T83 PolarHBondContact O-OG1 3.42Å; T83-L85 PolarHBondContact O-N 2.88Å; T83-L85 VanDerWaalsContact O-N 3.13Å; T83-T86 PolarHBondContact O-N 3.11Å; T83-T86 PolarHBondContact O-OG1 3.2Å
84	L	88	Confident	92	Very high	79 Å²	79	65.1 Å²	65.1	41%	0.414	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-52	-36.2	171.6	-178.4	64.7	0	0	0	112.5	L82 T86 M87 I88	L82-L84 PolarHBondContact O-N 3.02Å; L82-L84 VanDerWaalsContact O-N 3.09Å; L84-T86 PolarHBondContact O-N 3.48Å; L84-M87 HydrophobicContact CB-CE 4.49Å; L84-M87 HydrophobicContact CD1-CE 4.05Å; L84-M87 PolarHBondContact O-N 3.07Å; L84-M87 VanDerWaalsContact O-N 3.08Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 3.5Å
85	L	91.6	Very high	92.3	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.031	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-63	-28	-178.4	-63.4	174.3	0	0	0	113.4	L82 T83 M87 I88 I95 F116 L121 V146 L148	L82-L85 HydrophobicContact CB-CD1 4.24Å; L82-L85 HydrophobicContact CD2-CD1 4.08Å; L82-L85 VanDerWaalsContact O-CB 3.28Å; L82-L85 WeakPolarHBondContact O-CB 3.33Å; L82-L85 WeakPolarHBondContact O-CG 3.42Å; L82-L85 PolarHBondContact O-N 3.25Å; T83-L85 PolarHBondContact O-N 2.88Å; T83-L85 VanDerWaalsContact O-N 3.13Å; L85-M87 VanDerWaalsContact C-N 3.29Å; L85-I88 HydrophobicContact CD2-CD1 4.03Å; L85-I95 HydrophobicContact CB-CD1 4.46Å; L85-I95 HydrophobicContact CD1-CD1 4.14Å; L85-I95 HydrophobicContact CD1-CG2 4.12Å; L85-I95 HydrophobicContact CD2-CD1 4.21Å; L85-I95 HydrophobicContact CD2-CG1 4.27Å; L85-I95 HydrophobicContact CD2-CG2 4.19Å; L85-F116 HydrophobicContact CD1-CE1 4.41Å; L85-L121 HydrophobicContact CB-CD1 4.02Å; L85-L121 HydrophobicContact CD1-CD1 4.44Å; L85-V146 HydrophobicContact CD2-CG1 3.8Å; L85-L148 HydrophobicContact CD1-CD1 3.77Å; L85-L148 HydrophobicContact CD2-CD1 4.01Å; L85-L148 HydrophobicContact CD2-CG 4.41Å; L85-L148 HydrophobicContact CG-CD1 4.12Å
86	T	91.3	Very high	92.5	Very high	57 Å²	57	59.2 Å²	59.2	35%	0.35	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-81.7	-13.1	179.8	70.1	0	0	0	0	112.4	T83 L84 F115 N119 L121	T83-T86 PolarHBondContact O-N 3.11Å; T83-T86 PolarHBondContact O-OG1 3.2Å; L84-T86 PolarHBondContact O-N 3.48Å; T86-F115 HydrophobicContact CG2-CE2 4.48Å; T86-F115 HydrophobicContact CG2-CZ 3.94Å; T86-N119 HydrophobicContact CG2-CB 4.01Å; T86-N119 WeakPolarHBondContact CG2-OD1 3.46Å; T86-L121 HydrophobicContact CG2-CD1 4.3Å
87	M	90.9	Very high	92.8	Very high	130 Å²	130	55 Å²	55	64%	0.64	29%	0.286	S	S	*	.	S	Bend	trans	-98.2	-7.4	179.8	-60.8	-171.9	-74	0	0	113.2	L84 L85	L84-M87 HydrophobicContact CB-CE 4.49Å; L84-M87 HydrophobicContact CD1-CE 4.05Å; L84-M87 PolarHBondContact O-N 3.07Å; L84-M87 VanDerWaalsContact O-N 3.08Å; L85-M87 VanDerWaalsContact C-N 3.29Å
88	I	90.2	Very high	92.9	Very high	20 Å²	20	55 Å²	55	10%	0.103	29%	0.286	C	S	.	.			trans	-76.5	125.7	-179.4	-65	166	0	0	0	109.5	L62 L84 L85 P90 P92 Y144 V146	L62-I88 HydrophobicContact CD2-CD1 3.47Å; L62-I88 VanDerWaalsContact CD2-CD1 3.47Å; L62-I88 HydrophobicContact CD2-CG1 3.92Å; L84-I88 WeakPolarHBondContact O-CG1 3.42Å; L84-I88 PolarHBondContact O-N 3.5Å; L85-I88 HydrophobicContact CD2-CD1 4.03Å; I88-P90 CarbonylContact C-O 3.56Å; I88-P92 HydrophobicContact CB-CG 4.39Å; I88-P92 HydrophobicContact CG2-CG 3.96Å; I88-Y144 HydrophobicContact CG2-CE1 4.35Å; I88-Y144 WeakPolarHBondContact CG2-OH 3.34Å; I88-V146 HydrophobicContact CD1-CG1 4.42Å; I88-V146 HydrophobicContact CD1-CG2 4.06Å
89	E	90.1	Very high	93	Very high	158 Å²	158	52.4 Å²	52.4	74%	0.738	27%	0.271	S	S	*	.	S	Bend	trans	-126.4	132.8	175.2	-74.3	-69.2	178	0	0	110.7
90	P	90.6	Very high	93.1	Very high	81 Å²	81	48.2 Å²	48.2	53%	0.526	25%	0.251	S	S	.	.	S	Bend	cis	-62.5	168.3	-4	28.4	-34.2	0	0	0	111.7	I88 Y144	I88-P90 CarbonylContact C-O 3.56Å; P90-Y144 HydrophobicContact CB-CE1 4.44Å; P90-Y144 HydrophobicContact CG-CD1 4.02Å; P90-Y144 HydrophobicContact CG-CE1 3.74Å; P90-Y144 HydrophobicContact CG-CE2 4.26Å; P90-Y144 HydrophobicContact CG-CG 4.46Å; P90-Y144 WeakPolarHBondContact O-CE1 3.47Å; P90-Y144 PolarHBondContact O-OH 2.76Å
91	K	90.9	Very high	93.1	Very high	89 Å²	89	41.6 Å²	41.6	39%	0.387	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-65	132.5	176.6	-170.1	174.4	-165.9	166.2	0	110.8	D93 N119 K120	K91-D93 PolarHBondContact O-N 3.24Å; K91-N119 PolarHBondContact NZ-O 3.47Å; K91-K120 VanDerWaalsContact CE-O 3.23Å; K91-K120 WeakPolarHBondContact CE-O 3.36Å; K91-K120 PolarHBondContact NZ-O 2.94Å
92	P	92.5	Very high	93.2	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.045	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-57.7	135.7	174.6	-25.5	35.5	0	0	0	112.7	I88 L94 I95 Y144 V146	I88-P92 HydrophobicContact CB-CG 4.39Å; I88-P92 HydrophobicContact CG2-CG 3.96Å; P92-L94 VanDerWaalsContact C-N 3.3Å; P92-I95 HydrophobicContact CB-CD1 4.39Å; P92-I95 HydrophobicContact CB-CG1 3.9Å; P92-I95 HydrophobicContact CG-CG1 4.31Å; P92-Y144 HydrophobicContact CB-CE1 4.41Å; P92-Y144 HydrophobicContact CG-CE1 4.19Å; P92-V146 HydrophobicContact CB-CB 4.41Å; P92-V146 HydrophobicContact CB-CG2 3.9Å; P92-V146 HydrophobicContact CG-CB 4.34Å; P92-V146 HydrophobicContact CG-CG2 3.53Å
93	D	92.5	Very high	93.3	Very high	100 Å²	100	55.3 Å²	55.3	54%	0.535	28%	0.28	S	S	.	.	S	Bend	trans	-67	-37.1	175.3	-66.8	-37.2	0	0	0	111	K91 N122 Y144	K91-D93 PolarHBondContact O-N 3.24Å; D93-N122 PolarHBondContact O-ND2 3.06Å; D93-Y144 PolarHBondContact N-O 2.83Å; D93-Y144 PolarHBondContact OD2-N 3.4Å
94	L	95.9	Very high	93.5	Very high	29 Å²	29	54 Å²	54	15%	0.152	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	136.4	178.5	-177.2	61.5	0	0	0	109.9	P92 V96 E124 L138 A145 V146	P92-L94 VanDerWaalsContact C-N 3.3Å; L94-V96 HydrophobicContact CD2-CG2 4.43Å; L94-V96 HydrophobicContact CG-CG2 4.4Å; L94-E124 HydrophobicContact CD1-CB 4.21Å; L94-L138 HydrophobicContact CD2-CD1 3.75Å; L94-L138 HydrophobicContact CD2-CD2 4.23Å; L94-L138 HydrophobicContact CG-CD1 4.42Å; L94-A145 VanDerWaalsContact O-CA 3.28Å; L94-A145 WeakPolarHBondContact O-CA 3.1Å; L94-V146 PolarHBondContact O-N 2.85Å; L94-V146 VanDerWaalsContact O-N 3.07Å
95	I	96.6	Very high	93.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.2	171.5	-63.4	148.4	0	0	0	107.7	L85 P92 L121 N122 V123 E124 V146	L85-I95 HydrophobicContact CB-CD1 4.46Å; L85-I95 HydrophobicContact CD1-CD1 4.14Å; L85-I95 HydrophobicContact CD1-CG2 4.12Å; L85-I95 HydrophobicContact CD2-CD1 4.21Å; L85-I95 HydrophobicContact CD2-CG1 4.27Å; L85-I95 HydrophobicContact CD2-CG2 4.19Å; P92-I95 HydrophobicContact CB-CD1 4.39Å; P92-I95 HydrophobicContact CB-CG1 3.9Å; P92-I95 HydrophobicContact CG-CG1 4.31Å; I95-L121 HydrophobicContact CD1-CB 4Å; I95-L121 HydrophobicContact CD1-CD1 4.43Å; I95-L121 HydrophobicContact CD1-CD2 3.86Å; I95-L121 HydrophobicContact CD1-CG 4.31Å; I95-N122 PolarHBondContact N-O 3.01Å; I95-V123 HydrophobicContact CB-CB 4.42Å; I95-V123 HydrophobicContact CB-CG1 4.23Å; I95-V123 HydrophobicContact CB-CG2 4.02Å; I95-V123 HydrophobicContact CD1-CG2 3.97Å; I95-V123 HydrophobicContact CG2-CG1 4.09Å; I95-V123 HydrophobicContact CG2-CG2 4.42Å; I95-V123 CarbonylContact O-C 3.53Å; I95-V123 VanDerWaalsContact O-CA 3.31Å; I95-V123 WeakPolarHBondContact O-CA 3.47Å; I95-E124 PolarHBondContact O-N 3.4Å; I95-V146 CarbonylContact C-O 3.54Å; I95-V146 VanDerWaalsContact CA-O 3.29Å; I95-V146 WeakPolarHBondContact CA-O 3.43Å; I95-V146 HydrophobicContact CG1-CB 4.2Å
96	V	97.4	Very high	94.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.8	175.7	-178.2	0	0	0	0	108.4	L94 M126 A131 T134 L138 V146 G147 L148	L94-V96 HydrophobicContact CD2-CG2 4.43Å; L94-V96 HydrophobicContact CG-CG2 4.4Å; V96-M126 HydrophobicContact CG1-CE 4.42Å; V96-M126 HydrophobicContact CG1-CG 4.22Å; V96-M126 HydrophobicContact CG1-SD 4.08Å; V96-A131 HydrophobicContact CG1-CB 3.86Å; V96-T134 HydrophobicContact CG2-CG2 4.2Å; V96-L138 HydrophobicContact CG2-CD1 3.57Å; V96-V146 PolarHBondContact N-O 3.4Å; V96-G147 CarbonylContact O-C 3.49Å; V96-G147 WeakPolarHBondContact O-CA 3.37Å; V96-L148 PolarHBondContact O-N 3.4Å
97	L	97.8	Very high	94.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	103.5	176.8	179.9	63.1	0	0	0	110	W69 A99 L108 L112 F116 V123 E124 I125 M126 L148	W69-L97 HydrophobicContact CH2-CD1 3.85Å; W69-L97 HydrophobicContact CZ3-CD1 4.09Å; L97-A99 PolarHBondContact O-N 2.84Å; L97-L108 HydrophobicContact CD2-CD1 4.33Å; L97-L112 HydrophobicContact CD2-CD1 4.09Å; L97-F116 HydrophobicContact CD2-CZ 4.42Å; L97-V123 HydrophobicContact CB-CG1 4.25Å; L97-E124 PolarHBondContact N-O 2.87Å; L97-I125 HydrophobicContact CB-CG1 4.25Å; L97-I125 HydrophobicContact CB-CG2 4.4Å; L97-I125 HydrophobicContact CD2-CD1 4.15Å; L97-I125 HydrophobicContact CD2-CG1 4.04Å; L97-I125 HydrophobicContact CD2-CG2 4.12Å; L97-I125 HydrophobicContact CG-CG2 4.26Å; L97-I125 WeakPolarHBondContact O-CA 3.39Å; L97-M126 PolarHBondContact O-N 3.36Å; L97-L148 CarbonylContact C-O 3.58Å; L97-L148 WeakPolarHBondContact CA-O 3.33Å; L97-L148 HydrophobicContact CD1-CB 3.58Å; L97-L148 HydrophobicContact CD1-CD1 4.28Å
98	G	97.8	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	107.2	170.5	0	0	0	0	0	111.2	G100 M126 T128 L148 F150	G98-G100 PolarHBondContact O-N 3.4Å; G98-M126 CarbonylContact C-O 3.57Å; G98-M126 WeakPolarHBondContact CA-O 3.35Å; G98-T128 PolarHBondContact O-OG1 2.87Å; G98-L148 PolarHBondContact N-O 3.06Å; G98-F150 WeakPolarHBondContact O-CB 3.44Å; G98-F150 PolarHBondContact O-N 3.46Å
99	A	96.6	Very high	95	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	12.7	-173.5	0	0	0	0	0	114.8	L97 D101 N104 V105 L108 I125 M126	L97-A99 PolarHBondContact O-N 2.84Å; A99-D101 PolarHBondContact O-N 2.83Å; A99-N104 HydrophobicContact CB-CB 3.92Å; A99-N104 VanDerWaalsContact O-CB 3.26Å; A99-N104 WeakPolarHBondContact O-CB 3.44Å; A99-N104 PolarHBondContact O-ND2 3.34Å; A99-V105 HydrophobicContact CB-CG2 3.92Å; A99-L108 HydrophobicContact CB-CD1 3.63Å; A99-I125 HydrophobicContact CB-CG2 4.25Å; A99-M126 PolarHBondContact N-O 2.88Å
100	G	94.9	Very high	95.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	70.9	-108.5	-165.6	0	0	0	0	0	109.2	G98 T128 F150 P151	G98-G100 PolarHBondContact O-N 3.4Å; G100-T128 WeakPolarHBondContact CA-OG1 3.08Å; G100-T128 PolarHBondContact N-OG1 3.47Å; G100-T128 PolarHBondContact O-N 3.29Å; G100-F150 WeakPolarHBondContact CA-O 3.49Å; G100-F150 PolarHBondContact N-O 3.16Å; G100-P151 WeakPolarHBondContact CA-O 3.15Å
101	D	93.8	Very high	95.6	Very high	29 Å²	29	54.1 Å²	54.1	16%	0.155	27%	0.267	C	S	.	.	S	Bend	trans	-82.5	158	-178.8	-54	-53.3	0	0	0	113.2	A99 E103 N104 S153	A99-D101 PolarHBondContact O-N 2.83Å; D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 HydrophobicContact CB-CG 4.12Å; D101-E103 PolarHBondContact O-N 2.78Å; D101-N104 WeakPolarHBondContact O-CB 3.28Å; D101-N104 PolarHBondContact O-N 2.76Å; D101-N104 VanDerWaalsContact O-N 3.16Å; D101-S153 PolarHBondContact OD1-N 3.41Å; D101-S153 WeakPolarHBondContact OD2-CB 3.45Å; D101-S153 PolarHBondContact OD2-N 2.92Å; D101-S153 PolarHBondContact OD2-OG 3.12Å
102	K	93.8	Very high	95.8	Very high	171 Å²	171	50 Å²	50	74%	0.743	25%	0.249	S	C	*	.	H	α-helix	trans	-62.7	-33.2	-175	-174.3	176.2	179.8	176.6	0	113.3	N104 V105 A127	K102-N104 PolarHBondContact O-N 2.86Å; K102-V105 WeakPolarHBondContact O-CB 3.37Å; K102-V105 WeakPolarHBondContact O-CG2 3.47Å; K102-V105 PolarHBondContact O-N 3.13Å; K102-A127 HydrophobicContact CB-CB 4.26Å
103	E	94.6	Very high	96	Very high	146 Å²	146	57.6 Å²	57.6	68%	0.682	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-27.5	177.4	58.2	-143.3	-137.6	0	0	113.8	D101 V105	D101-E103 VanDerWaalsContact C-N 3.28Å; D101-E103 HydrophobicContact CB-CG 4.12Å; D101-E103 PolarHBondContact O-N 2.78Å; E103-V105 VanDerWaalsContact C-N 3.34Å
104	N	96	Very high	96.2	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	28%	0.275	C	S	.	.	H	α-helix	trans	-76.7	-23.1	-178.6	-61.7	-36.1	0	0	0	112.8	V74 A99 D101 K102 G106 V107 L108	V74-N104 HydrophobicContact CG1-CB 3.88Å; A99-N104 HydrophobicContact CB-CB 3.92Å; A99-N104 VanDerWaalsContact O-CB 3.26Å; A99-N104 WeakPolarHBondContact O-CB 3.44Å; A99-N104 PolarHBondContact O-ND2 3.34Å; D101-N104 WeakPolarHBondContact O-CB 3.28Å; D101-N104 PolarHBondContact O-N 2.76Å; D101-N104 VanDerWaalsContact O-N 3.16Å; K102-N104 PolarHBondContact O-N 2.86Å; N104-G106 PolarHBondContact O-N 3.18Å; N104-V107 PolarHBondContact O-N 2.95Å; N104-L108 WeakPolarHBondContact O-CG 3.26Å; N104-L108 PolarHBondContact O-N 2.83Å
105	V	97.2	Very high	96.2	Very high	25 Å²	25	55.3 Å²	55.3	15%	0.152	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-54.1	-173.7	177	0	0	0	0	111.3	A99 K102 E103 V107 L108 E109 I125 M126	A99-V105 HydrophobicContact CB-CG2 3.92Å; K102-V105 WeakPolarHBondContact O-CB 3.37Å; K102-V105 WeakPolarHBondContact O-CG2 3.47Å; K102-V105 PolarHBondContact O-N 3.13Å; E103-V105 VanDerWaalsContact C-N 3.34Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 2.92Å; V105-L108 PolarHBondContact O-N 3.09Å; V105-E109 WeakPolarHBondContact O-CB 3.32Å; V105-E109 PolarHBondContact O-N 3.16Å; V105-I125 HydrophobicContact CG1-CB 4.42Å; V105-I125 HydrophobicContact CG1-CG2 4.11Å; V105-I125 WeakPolarHBondContact CG1-O 3.34Å; V105-M126 VanDerWaalsContact CG2-C 3.49Å
106	G	96.9	Very high	96.2	Very high	46 Å²	46	56.1 Å²	56.1	47%	0.474	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-29.1	-178.4	0	0	0	0	0	113.6	N104 K110	N104-G106 PolarHBondContact O-N 3.18Å; G106-K110 WeakPolarHBondContact O-CB 3.36Å; G106-K110 PolarHBondContact O-N 3.36Å
107	V	96.1	Very high	96.1	Very high	71 Å²	71	62.1 Å²	62.1	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-47.9	176.2	178.5	0	0	0	0	110.3	N104 V105 R111	N104-V107 PolarHBondContact O-N 2.95Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 2.92Å; V107-R111 WeakPolarHBondContact O-CB 3.46Å; V107-R111 PolarHBondContact O-N 3.46Å; V107-R111 VanDerWaalsContact O-N 3.14Å
108	L	97.1	Very high	96	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.4	-41.8	178.7	-67.4	-178.1	0	0	0	111.8	V74 I77 L97 A99 N104 V105 K110 R111 L112 I125	V74-L108 HydrophobicContact CG1-CD1 4.23Å; V74-L108 HydrophobicContact CG1-CD2 4.04Å; V74-L108 HydrophobicContact CG1-CG 4.23Å; I77-L108 HydrophobicContact CB-CD2 3.89Å; I77-L108 HydrophobicContact CD1-CD1 3.8Å; I77-L108 HydrophobicContact CD1-CD2 4.25Å; I77-L108 HydrophobicContact CG2-CD2 4.16Å; L97-L108 HydrophobicContact CD2-CD1 4.33Å; A99-L108 HydrophobicContact CB-CD1 3.63Å; N104-L108 WeakPolarHBondContact O-CG 3.26Å; N104-L108 PolarHBondContact O-N 2.83Å; V105-L108 PolarHBondContact O-N 3.09Å; L108-K110 PolarHBondContact O-N 3.4Å; L108-R111 PolarHBondContact O-N 3.1Å; L108-R111 VanDerWaalsContact O-N 3.17Å; L108-L112 HydrophobicContact CB-CD1 4.23Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.01Å; L108-I125 HydrophobicContact CB-CD1 4.32Å; L108-I125 HydrophobicContact CB-CG2 4.3Å
109	E	96.4	Very high	95.9	Very high	109 Å²	109	71.8 Å²	71.8	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-56.8	-50.7	177.4	-169.5	-172.4	163.2	0	0	111	V105 R111 L112 R113 I125	V105-E109 WeakPolarHBondContact O-CB 3.32Å; V105-E109 PolarHBondContact O-N 3.16Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.23Å; E109-L112 PolarHBondContact O-N 2.95Å; E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.4Å; E109-I125 VanDerWaalsContact CA-CD1 3.49Å; E109-I125 HydrophobicContact CB-CD1 3.99Å; E109-I125 HydrophobicContact CG-CD1 4.46Å
110	K	96.3	Very high	95.8	Very high	185 Å²	185	80 Å²	80	80%	0.804	39%	0.387	S	S	*	.	H	α-helix	trans	-61.6	-38.6	178.4	-175	177.9	177.5	-177.2	0	112.4	G106 L108	G106-K110 WeakPolarHBondContact O-CB 3.36Å; G106-K110 PolarHBondContact O-N 3.36Å; L108-K110 PolarHBondContact O-N 3.4Å
111	R	95.9	Very high	95.8	Very high	97 Å²	97	80.7 Å²	80.7	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-73.3	-37.7	-175.9	-170.4	-176.6	-61.7	-172.9	2.7	112.5	D75 V107 L108 E109	D75-R111 PolarHBondContact O-NH1 3.1Å; D75-R111 IonicContact OD1-CZ 3.25Å; D75-R111 IonicContact OD1-NH1 2.85Å; D75-R111 PolarHBondContact OD1-NH1 3.44Å; D75-R111 IonicContact OD1-NH2 3.6Å; D75-R111 PolarHBondContact OD1-NH2 3.44Å; V107-R111 WeakPolarHBondContact O-CB 3.46Å; V107-R111 PolarHBondContact O-N 3.46Å; V107-R111 VanDerWaalsContact O-N 3.14Å; L108-R111 PolarHBondContact O-N 3.1Å; L108-R111 VanDerWaalsContact O-N 3.17Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 3.23Å
112	L	96.8	Very high	95.9	Very high	1 Å²	1	83.9 Å²	83.9	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-107.5	-6.9	-167.6	-58.9	169.7	0	0	0	114	I77 E79 L82 L97 L108 E109 S114 F115 F116	I77-L112 HydrophobicContact CG2-CD1 3.89Å; E79-L112 HydrophobicContact CG-CD2 4.37Å; L82-L112 HydrophobicContact CD1-CD1 3.63Å; L82-L112 HydrophobicContact CD1-CD2 3.82Å; L82-L112 HydrophobicContact CD1-CG 4.24Å; L97-L112 HydrophobicContact CD2-CD1 4.09Å; L108-L112 HydrophobicContact CB-CD1 4.23Å; L108-L112 HydrophobicContact CD2-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.01Å; E109-L112 PolarHBondContact O-N 2.95Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.46Å; L112-F115 WeakPolarHBondContact O-CB 3.39Å; L112-F115 PolarHBondContact O-N 2.89Å; L112-F116 HydrophobicContact CB-CD2 4.03Å; L112-F116 HydrophobicContact CB-CE2 3.48Å; L112-F116 VanDerWaalsContact CB-CE2 3.48Å; L112-F116 HydrophobicContact CB-CZ 3.86Å; L112-F116 HydrophobicContact CD1-CE2 4.19Å; L112-F116 HydrophobicContact CD1-CZ 4.03Å; L112-F116 HydrophobicContact CG-CE2 4.49Å; L112-F116 WeakPolarHBondContact O-CD2 3.12Å; L112-F116 PolarHBondContact O-N 3.46Å
113	R	95.8	Very high	96	Very high	168 Å²	168	77.2 Å²	77.2	63%	0.634	38%	0.382	S	S	*	.	H	α-helix	trans	-52.6	-44.1	-178.1	179.6	172	-175	-102	0.4	113.5	E109 L117	E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.4Å; R113-L117 WeakPolarHBondContact O-CB 3.38Å; R113-L117 PolarHBondContact O-N 2.79Å
114	S	95.7	Very high	96.1	Very high	69 Å²	69	74.4 Å²	74.4	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-48.1	179.9	-57.9	0	0	0	0	111.1	L112 F116 L117 E118	L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.46Å; S114-F116 PolarHBondContact O-N 3.25Å; S114-L117 PolarHBondContact O-N 2.78Å; S114-E118 WeakPolarHBondContact O-CB 3.37Å; S114-E118 VanDerWaalsContact O-CG 3.3Å; S114-E118 WeakPolarHBondContact O-CG 3.46Å; S114-E118 PolarHBondContact O-N 2.94Å
115	F	96.6	Very high	96.2	Very high	11 Å²	11	74.3 Å²	74.3	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-57.2	-46.5	177.7	174.1	-98.1	0	0	0	112.8	E79 L82 T86 L112 L117 N119 L121	E79-F115 HydrophobicContact CB-CB 4.45Å; E79-F115 HydrophobicContact CB-CD2 3.62Å; E79-F115 HydrophobicContact CB-CE2 4.02Å; E79-F115 HydrophobicContact CB-CG 4.06Å; E79-F115 HydrophobicContact CG-CB 3.71Å; E79-F115 HydrophobicContact CG-CD2 3.82Å; E79-F115 HydrophobicContact CG-CG 3.85Å; L82-F115 HydrophobicContact CB-CE1 3.8Å; L82-F115 HydrophobicContact CB-CZ 4.19Å; T86-F115 HydrophobicContact CG2-CE2 4.48Å; T86-F115 HydrophobicContact CG2-CZ 3.94Å; L112-F115 WeakPolarHBondContact O-CB 3.39Å; L112-F115 PolarHBondContact O-N 2.89Å; F115-L117 PolarHBondContact O-N 2.8Å; F115-N119 VanDerWaalsContact CD2-ND2 3.33Å; F115-N119 WeakPolarHBondContact CD2-ND2 3.3Å; F115-N119 VanDerWaalsContact CE2-ND2 3.31Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact O-CB 3.42Å; F115-N119 PolarHBondContact O-N 3.39Å; F115-N119 PolarHBondContact O-ND2 3.4Å; F115-L121 HydrophobicContact CE1-CD1 3.99Å
116	F	96	Very high	96.2	Very high	18 Å²	18	74 Å²	74	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-65.5	-40	178.5	-62.1	-39.1	0	0	0	112.3	L82 L85 L97 L112 S114 K120 L121 V123 I125	L82-F116 HydrophobicContact CD1-CE1 3.91Å; L82-F116 HydrophobicContact CD1-CZ 3.79Å; L85-F116 HydrophobicContact CD1-CE1 4.41Å; L97-F116 HydrophobicContact CD2-CZ 4.42Å; L112-F116 HydrophobicContact CB-CD2 4.03Å; L112-F116 HydrophobicContact CB-CE2 3.48Å; L112-F116 VanDerWaalsContact CB-CE2 3.48Å; L112-F116 HydrophobicContact CB-CZ 3.86Å; L112-F116 HydrophobicContact CD1-CE2 4.19Å; L112-F116 HydrophobicContact CD1-CZ 4.03Å; L112-F116 HydrophobicContact CG-CE2 4.49Å; L112-F116 WeakPolarHBondContact O-CD2 3.12Å; L112-F116 PolarHBondContact O-N 3.46Å; S114-F116 PolarHBondContact O-N 3.25Å; F116-K120 CarbonylContact O-C 3.51Å; F116-K120 WeakPolarHBondContact O-CA 3.43Å; F116-K120 PolarHBondContact O-N 3.26Å; F116-L121 HydrophobicContact CB-CB 4.45Å; F116-L121 HydrophobicContact CD1-CB 4.26Å; F116-L121 HydrophobicContact CD1-CD1 4.08Å; F116-L121 PolarHBondContact O-N 2.85Å; F116-V123 HydrophobicContact CB-CG2 4.13Å; F116-V123 HydrophobicContact CD1-CB 4.28Å; F116-V123 HydrophobicContact CD1-CG2 3.43Å; F116-V123 VanDerWaalsContact CD1-CG2 3.43Å; F116-V123 HydrophobicContact CD2-CB 3.95Å; F116-V123 HydrophobicContact CD2-CG1 4.24Å; F116-V123 HydrophobicContact CD2-CG2 3.99Å; F116-V123 HydrophobicContact CE1-CB 4.39Å; F116-V123 HydrophobicContact CE1-CG1 4.26Å; F116-V123 HydrophobicContact CE1-CG2 3.71Å; F116-V123 HydrophobicContact CE2-CB 4.06Å; F116-V123 HydrophobicContact CE2-CG1 3.83Å; F116-V123 HydrophobicContact CE2-CG2 4.23Å; F116-V123 HydrophobicContact CG-CB 4.07Å; F116-V123 HydrophobicContact CG-CG2 3.58Å; F116-V123 HydrophobicContact CZ-CB 4.29Å; F116-V123 HydrophobicContact CZ-CG1 3.84Å; F116-V123 HydrophobicContact CZ-CG2 4.11Å; F116-I125 HydrophobicContact CE2-CD1 3.97Å; F116-I125 HydrophobicContact CE2-CG1 4.44Å
117	L	95.7	Very high	96.2	Very high	126 Å²	126	72.3 Å²	72.3	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-65.7	-46.1	178.1	-175.7	63.7	0	0	0	111.9	R113 S114 F115 N119 K120	R113-L117 WeakPolarHBondContact O-CB 3.38Å; R113-L117 PolarHBondContact O-N 2.79Å; S114-L117 PolarHBondContact O-N 2.78Å; F115-L117 PolarHBondContact O-N 2.8Å; L117-N119 PolarHBondContact O-N 3.4Å; L117-K120 PolarHBondContact O-N 3.23Å; L117-K120 VanDerWaalsContact O-N 3.11Å
118	E	95.9	Very high	96.2	Very high	146 Å²	146	68.9 Å²	68.9	68%	0.682	33%	0.325	S	S	*	.	H	α-helix	trans	-62.2	-42.2	179.7	-74	173.1	-166.1	0	0	111.9	S114 K120	S114-E118 WeakPolarHBondContact O-CB 3.37Å; S114-E118 VanDerWaalsContact O-CG 3.3Å; S114-E118 WeakPolarHBondContact O-CG 3.46Å; S114-E118 PolarHBondContact O-N 2.94Å; E118-K120 PolarHBondContact O-N 3.26Å
119	N	95.2	Very high	95.9	Very high	58 Å²	58	74 Å²	74	31%	0.31	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.9	177.6	-66.7	-75.7	0	0	0	113.2	T86 K91 F115 L117 L121	T86-N119 HydrophobicContact CG2-CB 4.01Å; T86-N119 WeakPolarHBondContact CG2-OD1 3.46Å; K91-N119 PolarHBondContact NZ-O 3.47Å; F115-N119 VanDerWaalsContact CD2-ND2 3.33Å; F115-N119 WeakPolarHBondContact CD2-ND2 3.3Å; F115-N119 VanDerWaalsContact CE2-ND2 3.31Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.3Å; F115-N119 WeakPolarHBondContact O-CB 3.42Å; F115-N119 PolarHBondContact O-N 3.39Å; F115-N119 PolarHBondContact O-ND2 3.4Å; L117-N119 PolarHBondContact O-N 3.4Å; N119-L121 HydrophobicContact CB-CD1 3.86Å; N119-L121 HydrophobicContact CB-CG 3.78Å; N119-L121 PolarHBondContact O-N 2.8Å
120	K	94.4	Very high	95.8	Very high	172 Å²	172	72.8 Å²	72.8	75%	0.748	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.8	-177.5	-55.6	174.8	-178.1	176.1	0	112.7	K91 F116 L117 E118	K91-K120 VanDerWaalsContact CE-O 3.23Å; K91-K120 WeakPolarHBondContact CE-O 3.36Å; K91-K120 PolarHBondContact NZ-O 2.94Å; F116-K120 CarbonylContact O-C 3.51Å; F116-K120 WeakPolarHBondContact O-CA 3.43Å; F116-K120 PolarHBondContact O-N 3.26Å; L117-K120 PolarHBondContact O-N 3.23Å; L117-K120 VanDerWaalsContact O-N 3.11Å; E118-K120 PolarHBondContact O-N 3.26Å
121	L	95.4	Very high	95.8	Very high	16 Å²	16	64 Å²	64	8%	0.084	30%	0.303	C	S	.	.			trans	-82.9	128.4	-179.2	-64.7	172.9	0	0	0	108.9	L85 T86 I95 F115 F116 N119 V123	L85-L121 HydrophobicContact CB-CD1 4.02Å; L85-L121 HydrophobicContact CD1-CD1 4.44Å; T86-L121 HydrophobicContact CG2-CD1 4.3Å; I95-L121 HydrophobicContact CD1-CB 4Å; I95-L121 HydrophobicContact CD1-CD1 4.43Å; I95-L121 HydrophobicContact CD1-CD2 3.86Å; I95-L121 HydrophobicContact CD1-CG 4.31Å; F115-L121 HydrophobicContact CE1-CD1 3.99Å; F116-L121 HydrophobicContact CB-CB 4.45Å; F116-L121 HydrophobicContact CD1-CB 4.26Å; F116-L121 HydrophobicContact CD1-CD1 4.08Å; F116-L121 PolarHBondContact O-N 2.85Å; N119-L121 HydrophobicContact CB-CD1 3.86Å; N119-L121 HydrophobicContact CB-CG 3.78Å; N119-L121 PolarHBondContact O-N 2.8Å; L121-V123 HydrophobicContact CB-CG2 3.76Å; L121-V123 PolarHBondContact O-N 3.18Å
122	N	95.5	Very high	95.7	Very high	97 Å²	97	59.6 Å²	59.6	52%	0.519	29%	0.288	S	S	.	.			trans	-85.4	103.6	173.6	-174.1	22.7	0	0	0	108.3	D93 I95	D93-N122 PolarHBondContact O-ND2 3.06Å; I95-N122 PolarHBondContact N-O 3.01Å
123	V	97	Very high	95.4	Very high	30 Å²	30	63 Å²	63	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.3	-172.4	-169.8	0	0	0	0	110.7	I95 L97 F116 L121 I125	I95-V123 HydrophobicContact CB-CB 4.42Å; I95-V123 HydrophobicContact CB-CG1 4.23Å; I95-V123 HydrophobicContact CB-CG2 4.02Å; I95-V123 HydrophobicContact CD1-CG2 3.97Å; I95-V123 HydrophobicContact CG2-CG1 4.09Å; I95-V123 HydrophobicContact CG2-CG2 4.42Å; I95-V123 CarbonylContact O-C 3.53Å; I95-V123 VanDerWaalsContact O-CA 3.31Å; I95-V123 WeakPolarHBondContact O-CA 3.47Å; L97-V123 HydrophobicContact CB-CG1 4.25Å; F116-V123 HydrophobicContact CB-CG2 4.13Å; F116-V123 HydrophobicContact CD1-CB 4.28Å; F116-V123 HydrophobicContact CD1-CG2 3.43Å; F116-V123 VanDerWaalsContact CD1-CG2 3.43Å; F116-V123 HydrophobicContact CD2-CB 3.95Å; F116-V123 HydrophobicContact CD2-CG1 4.24Å; F116-V123 HydrophobicContact CD2-CG2 3.99Å; F116-V123 HydrophobicContact CE1-CB 4.39Å; F116-V123 HydrophobicContact CE1-CG1 4.26Å; F116-V123 HydrophobicContact CE1-CG2 3.71Å; F116-V123 HydrophobicContact CE2-CB 4.06Å; F116-V123 HydrophobicContact CE2-CG1 3.83Å; F116-V123 HydrophobicContact CE2-CG2 4.23Å; F116-V123 HydrophobicContact CG-CB 4.07Å; F116-V123 HydrophobicContact CG-CG2 3.58Å; F116-V123 HydrophobicContact CZ-CB 4.29Å; F116-V123 HydrophobicContact CZ-CG1 3.84Å; F116-V123 HydrophobicContact CZ-CG2 4.11Å; L121-V123 HydrophobicContact CB-CG2 3.76Å; L121-V123 PolarHBondContact O-N 3.18Å; V123-I125 HydrophobicContact CG1-CG1 4.22Å
124	E	97.1	Very high	95.3	Very high	88 Å²	88	57 Å²	57	41%	0.411	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.5	171	-167.5	174.1	177.9	0	0	109.2	L94 I95 L97 M126	L94-E124 HydrophobicContact CD1-CB 4.21Å; I95-E124 PolarHBondContact O-N 3.4Å; L97-E124 PolarHBondContact N-O 2.87Å; E124-M126 HydrophobicContact CB-CE 4.31Å; E124-M126 HydrophobicContact CG-CE 3.48Å; E124-M126 VanDerWaalsContact CG-CE 3.48Å; E124-M126 WeakPolarHBondContact OE1-CE 3.25Å
125	I	98	Very high	95.2	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.138	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.3	178.1	-46.6	-179.3	0	0	0	108.2	L97 A99 V105 L108 E109 F116 V123	L97-I125 HydrophobicContact CB-CG1 4.25Å; L97-I125 HydrophobicContact CB-CG2 4.4Å; L97-I125 HydrophobicContact CD2-CD1 4.15Å; L97-I125 HydrophobicContact CD2-CG1 4.04Å; L97-I125 HydrophobicContact CD2-CG2 4.12Å; L97-I125 HydrophobicContact CG-CG2 4.26Å; L97-I125 WeakPolarHBondContact O-CA 3.39Å; A99-I125 HydrophobicContact CB-CG2 4.25Å; V105-I125 HydrophobicContact CG1-CB 4.42Å; V105-I125 HydrophobicContact CG1-CG2 4.11Å; V105-I125 WeakPolarHBondContact CG1-O 3.34Å; L108-I125 HydrophobicContact CB-CD1 4.32Å; L108-I125 HydrophobicContact CB-CG2 4.3Å; E109-I125 VanDerWaalsContact CA-CD1 3.49Å; E109-I125 HydrophobicContact CB-CD1 3.99Å; E109-I125 HydrophobicContact CG-CD1 4.46Å; F116-I125 HydrophobicContact CE2-CD1 3.97Å; F116-I125 HydrophobicContact CE2-CG1 4.44Å; V123-I125 HydrophobicContact CG1-CG1 4.22Å
126	M	97.4	Very high	94.9	Very high	20 Å²	20	54.3 Å²	54.3	10%	0.099	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	167.6	-177.9	53.6	173.2	76.7	0	0	111.3	V96 L97 G98 A99 V105 E124 D130 A131 T134	V96-M126 HydrophobicContact CG1-CE 4.42Å; V96-M126 HydrophobicContact CG1-CG 4.22Å; V96-M126 HydrophobicContact CG1-SD 4.08Å; L97-M126 PolarHBondContact O-N 3.36Å; G98-M126 CarbonylContact C-O 3.57Å; G98-M126 WeakPolarHBondContact CA-O 3.35Å; A99-M126 PolarHBondContact N-O 2.88Å; V105-M126 VanDerWaalsContact CG2-C 3.49Å; E124-M126 HydrophobicContact CB-CE 4.31Å; E124-M126 HydrophobicContact CG-CE 3.48Å; E124-M126 VanDerWaalsContact CG-CE 3.48Å; E124-M126 WeakPolarHBondContact OE1-CE 3.25Å; M126-D130 HydrophobicContact CB-CB 4.38Å; M126-D130 HydrophobicContact SD-CB 3.91Å; M126-D130 VanDerWaalsContact SD-O 3.36Å; M126-A131 HydrophobicContact CG-CB 3.78Å; M126-A131 WeakPolarHBondContact SD-CA 3.32Å; M126-A131 HydrophobicContact SD-CB 4.05Å; M126-A131 PolarHBondContact SD-N 3.1Å; M126-T134 HydrophobicContact CE-CG2 4Å; M126-T134 HydrophobicContact SD-CG2 4.46Å
127	A	96.2	Very high	94.7	Very high	9 Å²	9	60.1 Å²	60.1	7%	0.074	30%	0.295	C	S	.	.			trans	-63.5	148.4	173.2	0	0	0	0	0	109.3	K102 R129 D130 A131	K102-A127 HydrophobicContact CB-CB 4.26Å; A127-R129 PolarHBondContact O-N 2.85Å; A127-R129 VanDerWaalsContact O-N 3.1Å; A127-D130 PolarHBondContact O-N 3.49Å; A127-A131 PolarHBondContact O-N 3.11Å
128	T	95.1	Very high	94.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-28.7	-178.5	-69.7	0	0	0	0	112.7	Y42 F47 G98 G100 D130 A131 C132 F150 V152	Y42-T128 HydrophobicContact CD2-CG2 4.26Å; Y42-T128 HydrophobicContact CG-CG2 4.31Å; F47-T128 HydrophobicContact CE1-CG2 3.62Å; F47-T128 HydrophobicContact CZ-CG2 4Å; G98-T128 PolarHBondContact O-OG1 2.87Å; G100-T128 WeakPolarHBondContact CA-OG1 3.08Å; G100-T128 PolarHBondContact N-OG1 3.47Å; G100-T128 PolarHBondContact O-N 3.29Å; T128-D130 VanDerWaalsContact C-N 3.26Å; T128-D130 PolarHBondContact O-N 2.72Å; T128-A131 PolarHBondContact O-N 3.28Å; T128-C132 PolarHBondContact O-N 2.9Å; T128-C132 VanDerWaalsContact O-N 3.16Å; T128-C132 PolarHBondContact O-SG 2.85Å; T128-F150 WeakPolarHBondContact CB-O 3.31Å; T128-F150 PolarHBondContact OG1-O 3.19Å; T128-V152 HydrophobicContact CG2-CG1 4.42Å
129	R	91.4	Very high	94.1	Very high	106 Å²	106	48 Å²	48	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-56.7	-38	171.6	-176.6	179.3	-153.4	-175.9	5	113.6	Y42 A127 P133	Y42-R129 VanDerWaalsContact OH-CA 3.25Å; Y42-R129 WeakPolarHBondContact OH-CA 3.48Å; Y42-R129 WeakPolarHBondContact OH-CB 3.49Å; Y42-R129 WeakPolarHBondContact OH-CG 3.31Å; A127-R129 PolarHBondContact O-N 2.85Å; A127-R129 VanDerWaalsContact O-N 3.1Å; R129-P133 WeakPolarHBondContact O-CD 3.35Å; R129-P133 WeakPolarHBondContact O-CG 3.23Å
130	D	94.5	Very high	93.6	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-94	-29.3	-177.9	-52.7	-40.4	0	0	0	110.6	M126 A127 T128 P133 T134	M126-D130 HydrophobicContact CB-CB 4.38Å; M126-D130 HydrophobicContact SD-CB 3.91Å; M126-D130 VanDerWaalsContact SD-O 3.36Å; A127-D130 PolarHBondContact O-N 3.49Å; T128-D130 VanDerWaalsContact C-N 3.26Å; T128-D130 PolarHBondContact O-N 2.72Å; D130-P133 WeakPolarHBondContact O-CD 3.46Å; D130-P133 WeakPolarHBondContact O-CG 3.2Å; D130-T134 WeakPolarHBondContact O-CB 3.5Å; D130-T134 PolarHBondContact O-N 3.42Å; D130-T134 PolarHBondContact O-OG1 3.23Å
131	A	96.9	Very high	93.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-48.3	179.3	0	0	0	0	0	112.9	V96 M126 A127 T128 T134 L135 L149	V96-A131 HydrophobicContact CG1-CB 3.86Å; M126-A131 HydrophobicContact CG-CB 3.78Å; M126-A131 WeakPolarHBondContact SD-CA 3.32Å; M126-A131 HydrophobicContact SD-CB 4.05Å; M126-A131 PolarHBondContact SD-N 3.1Å; A127-A131 PolarHBondContact O-N 3.11Å; T128-A131 PolarHBondContact O-N 3.28Å; A131-T134 PolarHBondContact O-N 3.11Å; A131-L135 WeakPolarHBondContact O-CB 3.29Å; A131-L135 PolarHBondContact O-N 3.29Å; A131-L149 HydrophobicContact CB-CD2 3.58Å
132	C	93	Very high	92.8	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-54.6	-178.8	-68.4	0	0	0	0	112.9	I39 Y42 T128 T134 L135 N136	I39-C132 HydrophobicContact CB-CB 4.34Å; I39-C132 HydrophobicContact CG2-CB 4.2Å; Y42-C132 HydrophobicContact CD1-CB 4.2Å; Y42-C132 HydrophobicContact CE1-CB 4.32Å; T128-C132 PolarHBondContact O-N 2.9Å; T128-C132 VanDerWaalsContact O-N 3.16Å; T128-C132 PolarHBondContact O-SG 2.85Å; C132-T134 VanDerWaalsContact C-N 3.34Å; C132-T134 PolarHBondContact O-N 3.17Å; C132-L135 PolarHBondContact O-N 3.13Å; C132-N136 PolarHBondContact O-N 3.18Å; C132-N136 PolarHBondContact O-OD1 2.61Å
133	P	90.5	Very high	92.5	Very high	73 Å²	73	50.2 Å²	50.2	47%	0.474	24%	0.244	S	C	.	.	H	α-helix	trans	-65.6	-36.2	178.7	24.6	-33.2	0	0	0	112.7	R129 D130 N136 Y137	R129-P133 WeakPolarHBondContact O-CD 3.35Å; R129-P133 WeakPolarHBondContact O-CG 3.23Å; D130-P133 WeakPolarHBondContact O-CD 3.46Å; D130-P133 WeakPolarHBondContact O-CG 3.2Å; P133-N136 PolarHBondContact O-N 2.99Å; P133-Y137 PolarHBondContact O-N 2.89Å
134	T	94.1	Very high	92.1	Very high	41 Å²	41	52.3 Å²	52.3	25%	0.252	25%	0.25	S	C	.	.	H	α-helix	trans	-61.1	-48	176	-59.5	0	0	0	0	111	V96 M126 D130 A131 C132 N136 Y137 L138	V96-T134 HydrophobicContact CG2-CG2 4.2Å; M126-T134 HydrophobicContact CE-CG2 4Å; M126-T134 HydrophobicContact SD-CG2 4.46Å; D130-T134 WeakPolarHBondContact O-CB 3.5Å; D130-T134 PolarHBondContact O-N 3.42Å; D130-T134 PolarHBondContact O-OG1 3.23Å; A131-T134 PolarHBondContact O-N 3.11Å; C132-T134 VanDerWaalsContact C-N 3.34Å; C132-T134 PolarHBondContact O-N 3.17Å; T134-N136 PolarHBondContact O-N 3.23Å; T134-Y137 WeakPolarHBondContact O-CB 3.2Å; T134-Y137 PolarHBondContact O-N 2.81Å; T134-L138 HydrophobicContact CG2-CD1 4.23Å; T134-L138 VanDerWaalsContact O-CG 3.31Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.48Å
135	L	93.2	Very high	91.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-40.3	177.9	-174.8	64.9	0	0	0	112.2	I39 V61 A131 C132 Y137 L138 N139 A145 L149	I39-L135 HydrophobicContact CD1-CD2 3.68Å; I39-L135 HydrophobicContact CD1-CG 4.36Å; V61-L135 HydrophobicContact CB-CD2 3.99Å; V61-L135 HydrophobicContact CG1-CD2 4.28Å; V61-L135 HydrophobicContact CG2-CD2 4.24Å; A131-L135 WeakPolarHBondContact O-CB 3.29Å; A131-L135 PolarHBondContact O-N 3.29Å; C132-L135 PolarHBondContact O-N 3.13Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; L135-Y137 PolarHBondContact O-N 3.47Å; L135-L138 PolarHBondContact O-N 3.31Å; L135-N139 WeakPolarHBondContact O-CB 3.31Å; L135-N139 VanDerWaalsContact O-CG 3.26Å; L135-N139 PolarHBondContact O-N 3.4Å; L135-A145 HydrophobicContact CD1-CB 4.33Å; L135-L149 HydrophobicContact CD2-CD1 4.1Å
136	N	90.5	Very high	91.8	Very high	25 Å²	25	47.2 Å²	47.2	13%	0.134	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-42.8	174.3	-72.2	-12	0	0	0	111.7	C38 I39 C132 P133 T134 N139 A140	C38-N136 WeakPolarHBondContact CA-OD1 3.48Å; I39-N136 PolarHBondContact N-OD1 3.28Å; I39-N136 PolarHBondContact O-ND2 3.32Å; C132-N136 PolarHBondContact O-N 3.18Å; C132-N136 PolarHBondContact O-OD1 2.61Å; P133-N136 PolarHBondContact O-N 2.99Å; T134-N136 PolarHBondContact O-N 3.23Å; N136-N139 PolarHBondContact O-N 3.24Å; N136-A140 VanDerWaalsContact O-CB 3.25Å; N136-A140 WeakPolarHBondContact O-CB 3.43Å; N136-A140 PolarHBondContact O-N 2.88Å
137	Y	91.3	Very high	91.7	Very high	139 Å²	139	46.2 Å²	46.2	55%	0.545	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-47.2	175.7	174.6	-92.3	0	0	0	111.4	P133 T134 L135 N139 A140 D141	P133-Y137 PolarHBondContact O-N 2.89Å; T134-Y137 WeakPolarHBondContact O-CB 3.2Å; T134-Y137 PolarHBondContact O-N 2.81Å; L135-Y137 VanDerWaalsContact C-N 3.3Å; L135-Y137 PolarHBondContact O-N 3.47Å; Y137-N139 VanDerWaalsContact C-N 3.35Å; Y137-N139 PolarHBondContact O-N 2.97Å; Y137-A140 PolarHBondContact O-N 2.86Å; Y137-D141 WeakPolarHBondContact O-CB 3.41Å; Y137-D141 PolarHBondContact O-N 3.47Å
138	L	91.3	Very high	91.7	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-42.5	178.4	-64.8	169.4	0	0	0	111.9	L94 V96 T134 L135 D141 Q142 R143 A145	L94-L138 HydrophobicContact CD2-CD1 3.75Å; L94-L138 HydrophobicContact CD2-CD2 4.23Å; L94-L138 HydrophobicContact CG-CD1 4.42Å; V96-L138 HydrophobicContact CG2-CD1 3.57Å; T134-L138 HydrophobicContact CG2-CD1 4.23Å; T134-L138 VanDerWaalsContact O-CG 3.31Å; T134-L138 WeakPolarHBondContact O-CG 3.45Å; T134-L138 PolarHBondContact O-N 3.48Å; L135-L138 PolarHBondContact O-N 3.31Å; L138-D141 CarbonylContact O-C 3.55Å; L138-D141 PolarHBondContact O-N 2.9Å; L138-Q142 PolarHBondContact O-N 2.86Å; L138-R143 PolarHBondContact O-N 3.17Å; L138-A145 HydrophobicContact CB-CB 3.8Å; L138-A145 HydrophobicContact CD1-CB 3.84Å; L138-A145 HydrophobicContact CG-CB 4.39Å
139	N	87.3	Confident	91.8	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-37.8	177.7	-67.8	-10	0	0	0	111.7	Y36 L37 L135 N136 Y137 D141 Q142	Y36-N139 HydrophobicContact CD2-CB 3.69Å; Y36-N139 HydrophobicContact CE2-CB 4.43Å; L37-N139 PolarHBondContact O-ND2 3.41Å; L135-N139 WeakPolarHBondContact O-CB 3.31Å; L135-N139 VanDerWaalsContact O-CG 3.26Å; L135-N139 PolarHBondContact O-N 3.4Å; N136-N139 PolarHBondContact O-N 3.24Å; Y137-N139 VanDerWaalsContact C-N 3.35Å; Y137-N139 PolarHBondContact O-N 2.97Å; N139-D141 VanDerWaalsContact C-N 3.33Å; N139-Q142 WeakPolarHBondContact O-CA 3.45Å; N139-Q142 PolarHBondContact O-N 2.95Å
140	A	85.4	Confident	92	Very high	25 Å²	25	42.4 Å²	42.4	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-38.1	175.3	0	0	0	0	0	112	L28 Y36 N136 Y137 Q142	L28-A140 HydrophobicContact CD2-CB 3.71Å; Y36-A140 HydrophobicContact CD2-CB 4.41Å; Y36-A140 HydrophobicContact CE2-CB 3.53Å; N136-A140 VanDerWaalsContact O-CB 3.25Å; N136-A140 WeakPolarHBondContact O-CB 3.43Å; N136-A140 PolarHBondContact O-N 2.88Å; Y137-A140 PolarHBondContact O-N 2.86Å; A140-Q142 PolarHBondContact O-N 3.01Å
141	D	87.6	Confident	91.9	Very high	79 Å²	79	38.8 Å²	38.8	42%	0.422	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.1	173.3	-160.4	46.7	0	0	0	112.4	Y137 L138 N139 R143	Y137-D141 WeakPolarHBondContact O-CB 3.41Å; Y137-D141 PolarHBondContact O-N 3.47Å; L138-D141 CarbonylContact O-C 3.55Å; L138-D141 PolarHBondContact O-N 2.9Å; N139-D141 VanDerWaalsContact C-N 3.33Å; D141-R143 HydrophobicContact CB-CG 4.22Å; D141-R143 PolarHBondContact O-N 2.92Å; D141-R143 VanDerWaalsContact O-N 3.11Å; D141-R143 IonicContact OD2-CZ 3.52Å; D141-R143 IonicContact OD2-NE 3.37Å; D141-R143 PolarHBondContact OD2-NE 2.84Å; D141-R143 IonicContact OD2-NH2 3.41Å; D141-R143 PolarHBondContact OD2-NH2 3.22Å
142	Q	85.8	Confident	91.6	Very high	153 Å²	153	39.4 Å²	39.4	72%	0.715	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	30.3	-179.1	-58.7	-174.8	-12.6	0	0	113.5	L138 N139 A140	L138-Q142 PolarHBondContact O-N 2.86Å; N139-Q142 WeakPolarHBondContact O-CA 3.45Å; N139-Q142 PolarHBondContact O-N 2.95Å; A140-Q142 PolarHBondContact O-N 3.01Å
143	R	88.1	Confident	91.3	Very high	132 Å²	132	42.9 Å²	42.9	50%	0.498	22%	0.215	S	C	.	.			trans	-73.8	149.4	173.1	-67.3	-170.8	-177.2	-156.5	-1.8	110.3	L138 D141 A145	L138-R143 PolarHBondContact O-N 3.17Å; D141-R143 HydrophobicContact CB-CG 4.22Å; D141-R143 PolarHBondContact O-N 2.92Å; D141-R143 VanDerWaalsContact O-N 3.11Å; D141-R143 IonicContact OD2-CZ 3.52Å; D141-R143 IonicContact OD2-NE 3.37Å; D141-R143 PolarHBondContact OD2-NE 2.84Å; D141-R143 IonicContact OD2-NH2 3.41Å; D141-R143 PolarHBondContact OD2-NH2 3.22Å; R143-A145 PolarHBondContact O-N 3.16Å
144	Y	90	Very high	90.4	Very high	75 Å²	75	46.6 Å²	46.6	29%	0.294	23%	0.226	S	C	.	.			trans	-81.6	74.2	176.6	-169.5	-107.8	0	0	0	110.2	I88 P90 P92 D93	I88-Y144 HydrophobicContact CG2-CE1 4.35Å; I88-Y144 WeakPolarHBondContact CG2-OH 3.34Å; P90-Y144 HydrophobicContact CB-CE1 4.44Å; P90-Y144 HydrophobicContact CG-CD1 4.02Å; P90-Y144 HydrophobicContact CG-CE1 3.74Å; P90-Y144 HydrophobicContact CG-CE2 4.26Å; P90-Y144 HydrophobicContact CG-CG 4.46Å; P90-Y144 WeakPolarHBondContact O-CE1 3.47Å; P90-Y144 PolarHBondContact O-OH 2.76Å; P92-Y144 HydrophobicContact CB-CE1 4.41Å; P92-Y144 HydrophobicContact CG-CE1 4.19Å; D93-Y144 PolarHBondContact N-O 2.83Å; D93-Y144 PolarHBondContact OD2-N 3.4Å
145	A	93.2	Very high	88.9	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.3	-178.7	0	0	0	0	0	112.1	L94 L135 L138 R143	L94-A145 VanDerWaalsContact O-CA 3.28Å; L94-A145 WeakPolarHBondContact O-CA 3.1Å; L135-A145 HydrophobicContact CD1-CB 4.33Å; L138-A145 HydrophobicContact CB-CB 3.8Å; L138-A145 HydrophobicContact CD1-CB 3.84Å; L138-A145 HydrophobicContact CG-CB 4.39Å; R143-A145 PolarHBondContact O-N 3.16Å
146	V	94.4	Very high	87.2	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.3	172.6	172.4	0	0	0	0	109.2	V61 L62 L85 I88 P92 L94 I95 V96	V61-V146 CarbonylContact O-C 3.58Å; V61-V146 WeakPolarHBondContact O-CA 3.4Å; L62-V146 HydrophobicContact CD2-CG2 4.38Å; L62-V146 HydrophobicContact CG-CG1 4.24Å; L62-V146 HydrophobicContact CG-CG2 4.23Å; L85-V146 HydrophobicContact CD2-CG1 3.8Å; I88-V146 HydrophobicContact CD1-CG1 4.42Å; I88-V146 HydrophobicContact CD1-CG2 4.06Å; P92-V146 HydrophobicContact CB-CB 4.41Å; P92-V146 HydrophobicContact CB-CG2 3.9Å; P92-V146 HydrophobicContact CG-CB 4.34Å; P92-V146 HydrophobicContact CG-CG2 3.53Å; L94-V146 PolarHBondContact O-N 2.85Å; L94-V146 VanDerWaalsContact O-N 3.07Å; I95-V146 CarbonylContact C-O 3.54Å; I95-V146 VanDerWaalsContact CA-O 3.29Å; I95-V146 WeakPolarHBondContact CA-O 3.43Å; I95-V146 HydrophobicContact CG1-CB 4.2Å; V96-V146 PolarHBondContact N-O 3.4Å
147	G	95.7	Very high	85.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.6	172	0	0	0	0	0	111.4	A60 V61 V96	A60-G147 CarbonylContact C-O 3.58Å; A60-G147 VanDerWaalsContact CA-O 3.26Å; A60-G147 WeakPolarHBondContact CA-O 3.2Å; V61-G147 PolarHBondContact N-O 3.4Å; V61-G147 PolarHBondContact O-N 2.96Å; V96-G147 CarbonylContact O-C 3.49Å; V96-G147 WeakPolarHBondContact O-CA 3.37Å
148	L	96.8	Very high	83.4	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.8	164.1	-67.8	-179.6	0	0	0	107.4	A60 W69 L82 L85 V96 L97 G98	A60-L148 HydrophobicContact CB-CD2 3.58Å; W69-L148 HydrophobicContact CD2-CD2 4.33Å; W69-L148 HydrophobicContact CE3-CB 4.33Å; W69-L148 HydrophobicContact CH2-CB 4.34Å; W69-L148 HydrophobicContact CH2-CD1 4.46Å; W69-L148 HydrophobicContact CZ2-CD1 4.35Å; W69-L148 HydrophobicContact CZ3-CB 4.07Å; L82-L148 HydrophobicContact CD2-CD1 3.24Å; L85-L148 HydrophobicContact CD1-CD1 3.77Å; L85-L148 HydrophobicContact CD2-CD1 4.01Å; L85-L148 HydrophobicContact CD2-CG 4.41Å; L85-L148 HydrophobicContact CG-CD1 4.12Å; V96-L148 PolarHBondContact O-N 3.4Å; L97-L148 CarbonylContact C-O 3.58Å; L97-L148 WeakPolarHBondContact CA-O 3.33Å; L97-L148 HydrophobicContact CD1-CB 3.58Å; L97-L148 HydrophobicContact CD1-CD1 4.28Å; G98-L148 PolarHBondContact N-O 3.06Å
149	L	96.7	Very high	81.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.2	-168.8	-58.1	176.8	0	0	0	109.9	I39 F47 P58 M59 A131 L135	I39-L149 HydrophobicContact CD1-CD1 3.84Å; I39-L149 HydrophobicContact CG1-CD1 3.98Å; F47-L149 HydrophobicContact CD1-CD1 4.27Å; F47-L149 HydrophobicContact CE1-CB 3.77Å; F47-L149 HydrophobicContact CE1-CD1 4.11Å; F47-L149 HydrophobicContact CE2-CB 3.96Å; F47-L149 HydrophobicContact CZ-CB 3.45Å; F47-L149 VanDerWaalsContact CZ-CB 3.45Å; P58-L149 VanDerWaalsContact CA-O 3.31Å; P58-L149 WeakPolarHBondContact CA-O 3.32Å; M59-L149 HydrophobicContact CE-CD1 3.82Å; M59-L149 PolarHBondContact N-O 2.93Å; M59-L149 PolarHBondContact O-N 2.96Å; A131-L149 HydrophobicContact CB-CD2 3.58Å; L135-L149 HydrophobicContact CD2-CD1 4.1Å
150	F	96.2	Very high	79.8	Confident	28 Å²	28	61 Å²	61	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.3	169.5	-160.4	-89.9	0	0	0	109.4	P58 V71 V74 I77 G98 G100 T128	P58-F150 HydrophobicContact CB-CD2 3.96Å; P58-F150 HydrophobicContact CB-CE2 4.4Å; P58-F150 HydrophobicContact CG-CD2 3.41Å; P58-F150 VanDerWaalsContact CG-CD2 3.41Å; P58-F150 HydrophobicContact CG-CE2 3.41Å; P58-F150 VanDerWaalsContact CG-CE2 3.41Å; P58-F150 HydrophobicContact CG-CG 4.26Å; P58-F150 HydrophobicContact CG-CZ 4.26Å; V71-F150 HydrophobicContact CG1-CD2 4.26Å; V71-F150 HydrophobicContact CG1-CE2 3.96Å; V74-F150 HydrophobicContact CG2-CD1 3.66Å; V74-F150 HydrophobicContact CG2-CE1 3.57Å; V74-F150 HydrophobicContact CG2-CG 4.24Å; V74-F150 HydrophobicContact CG2-CZ 4.05Å; I77-F150 HydrophobicContact CD1-CD2 4.29Å; G98-F150 WeakPolarHBondContact O-CB 3.44Å; G98-F150 PolarHBondContact O-N 3.46Å; G100-F150 WeakPolarHBondContact CA-O 3.49Å; G100-F150 PolarHBondContact N-O 3.16Å; T128-F150 WeakPolarHBondContact CB-O 3.31Å; T128-F150 PolarHBondContact OG1-O 3.19Å
151	P	92.4	Very high	78.1	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.052	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-60	155.1	177.1	-21.7	33.5	0	0	0	111.7	F47 G100	F47-P151 HydrophobicContact CE2-CG 3.87Å; F47-P151 HydrophobicContact CZ-CG 4.34Å; G100-P151 WeakPolarHBondContact CA-O 3.15Å
152	V	90.7	Very high	76.3	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.079	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-70.9	150.7	173.6	-65.4	0	0	0	0	110.2	Y42 E44 T128 L155	Y42-V152 HydrophobicContact CD2-CG1 4.21Å; Y42-V152 HydrophobicContact CD2-CG2 4.25Å; Y42-V152 HydrophobicContact CE2-CG1 3.92Å; Y42-V152 HydrophobicContact CE2-CG2 4.36Å; E44-V152 WeakPolarHBondContact CA-O 3.08Å; E44-V152 WeakPolarHBondContact CB-O 3.36Å; T128-V152 HydrophobicContact CG2-CG1 4.42Å; V152-L155 HydrophobicContact CG2-CD1 4.13Å
153	S	85.8	Confident	74.8	Confident	79 Å²	79	60.7 Å²	60.7	55%	0.552	31%	0.307	S	S	*	.	S	Bend	trans	-73.6	-32.5	177.2	63.3	0	0	0	0	112.5	D101	D101-S153 PolarHBondContact OD1-N 3.41Å; D101-S153 WeakPolarHBondContact OD2-CB 3.45Å; D101-S153 PolarHBondContact OD2-N 2.92Å; D101-S153 PolarHBondContact OD2-OG 3.12Å
154	Q	72.4	Confident	73.4	Confident	150 Å²	150	63.1 Å²	63.1	70%	0.701	32%	0.324	S	S	*	.	S	Bend	trans	-144.7	138.9	172.9	-65.3	-174.8	3.8	0	0	109.1	S156	Q154-S156 PolarHBondContact O-N 3.47Å
155	L	63.1	Low	72.1	Confident	57 Å²	57	62.1 Å²	62.1	30%	0.298	33%	0.328	S	S	.	.			trans	-65.1	107.9	163.1	-131.7	90.3	0	0	0	107.8	Y42 N43 V152 K157 F160	Y42-L155 WeakPolarHBondContact O-CD1 3.3Å; N43-L155 HydrophobicContact CB-CD1 3.87Å; V152-L155 HydrophobicContact CG2-CD1 4.13Å; L155-K157 PolarHBondContact O-N 3.28Å; L155-F160 HydrophobicContact CD2-CE1 3.77Å; L155-F160 HydrophobicContact CD2-CE2 3.59Å; L155-F160 HydrophobicContact CD2-CZ 3.13Å
156	S	56	Low	70.5	Confident	54 Å²	54	67.3 Å²	67.3	38%	0.378	36%	0.355	S	S	.	.			trans	-56.7	131.5	176.7	74	0	0	0	0	108.5	Q154 E158 G159	Q154-S156 PolarHBondContact O-N 3.47Å; S156-E158 PolarHBondContact O-N 2.99Å; S156-E158 VanDerWaalsContact O-N 3.07Å; S156-G159 PolarHBondContact O-N 3.48Å; S156-G159 PolarHBondContact OG-N 3.41Å
157	K	51.1	Low	68.8	Low	187 Å²	187	72.3 Å²	72.3	81%	0.813	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22	174.4	-67.1	-179.4	-178.7	175.4	0	111.5	L155 G159 F160 S161	L155-K157 PolarHBondContact O-N 3.28Å; K157-G159 VanDerWaalsContact C-N 3.27Å; K157-G159 PolarHBondContact O-N 2.82Å; K157-F160 CarbonylContact O-C 3.57Å; K157-F160 WeakPolarHBondContact O-CA 3.43Å; K157-F160 WeakPolarHBondContact O-CB 3.22Å; K157-F160 PolarHBondContact O-N 3.45Å; K157-S161 PolarHBondContact O-N 2.89Å
158	E	51.9	Low	66.9	Low	134 Å²	134	76 Å²	76	63%	0.626	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.6	170.9	-62.3	-177.5	169.6	0	0	113.1	S156 F160 S161	S156-E158 PolarHBondContact O-N 2.99Å; S156-E158 VanDerWaalsContact O-N 3.07Å; E158-F160 PolarHBondContact O-N 2.86Å; E158-F160 VanDerWaalsContact O-N 3.17Å; E158-S161 PolarHBondContact O-N 3.29Å; E158-S161 PolarHBondContact O-OG 3.41Å
159	G	51.1	Low	65	Low	29 Å²	29	80.9 Å²	80.9	30%	0.299	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.7	169.9	0	0	0	0	0	112.5	S156 K157	S156-G159 PolarHBondContact O-N 3.48Å; S156-G159 PolarHBondContact OG-N 3.41Å; K157-G159 VanDerWaalsContact C-N 3.27Å; K157-G159 PolarHBondContact O-N 2.82Å
160	F	52.4	Low	63.1	Low	64 Å²	64	82 Å²	82	28%	0.281	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-97.6	-1.8	177	-55.6	-49	0	0	0	114.4	L155 K157 E158 H162 L163 A172	L155-F160 HydrophobicContact CD2-CE1 3.77Å; L155-F160 HydrophobicContact CD2-CE2 3.59Å; L155-F160 HydrophobicContact CD2-CZ 3.13Å; K157-F160 CarbonylContact O-C 3.57Å; K157-F160 WeakPolarHBondContact O-CA 3.43Å; K157-F160 WeakPolarHBondContact O-CB 3.22Å; K157-F160 PolarHBondContact O-N 3.45Å; E158-F160 PolarHBondContact O-N 2.86Å; E158-F160 VanDerWaalsContact O-N 3.17Å; F160-H162 VanDerWaalsContact C-N 3.28Å; F160-H162 PolarHBondContact O-N 3.08Å; F160-L163 HydrophobicContact CB-CD1 4.03Å; F160-L163 HydrophobicContact CB-CG 4.43Å; F160-L163 HydrophobicContact CD1-CD1 3.31Å; F160-L163 HydrophobicContact CD1-CG 4.2Å; F160-L163 HydrophobicContact CE1-CD1 4.1Å; F160-L163 HydrophobicContact CG-CD1 4.07Å; F160-L163 WeakPolarHBondContact O-CB 3.48Å; F160-L163 PolarHBondContact O-N 3.36Å; F160-L163 VanDerWaalsContact O-N 3.16Å; F160-A172 HydrophobicContact CD1-CB 4Å; F160-A172 HydrophobicContact CE1-CB 3.29Å; F160-A172 HydrophobicContact CZ-CB 3.82Å
161	S	48.5	Very low	61.3	Low	76 Å²	76	82.1 Å²	82.1	53%	0.531	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.9	178.5	67.8	0	0	0	0	111.8	K157 E158 L163	K157-S161 PolarHBondContact O-N 2.89Å; E158-S161 PolarHBondContact O-N 3.29Å; E158-S161 PolarHBondContact O-OG 3.41Å; S161-L163 VanDerWaalsContact C-N 3.28Å
162	H	51.1	Low	59.7	Low	140 Å²	140	82.6 Å²	82.6	65%	0.648	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-9.8	172.6	-62	-64.7	0	0	0	113.8	F160 E164	F160-H162 VanDerWaalsContact C-N 3.28Å; F160-H162 PolarHBondContact O-N 3.08Å; H162-E164 PolarHBondContact O-N 3.42Å
163	L	53.2	Low	58.2	Low	35 Å²	35	90.7 Å²	90.7	18%	0.183	46%	0.455	C	S	.	.			trans	-73.9	98.1	172.7	-63.5	-177.2	0	0	0	107.8	F160 S161 S165 E168 R169 A172	F160-L163 HydrophobicContact CB-CD1 4.03Å; F160-L163 HydrophobicContact CB-CG 4.43Å; F160-L163 HydrophobicContact CD1-CD1 3.31Å; F160-L163 HydrophobicContact CD1-CG 4.2Å; F160-L163 HydrophobicContact CE1-CD1 4.1Å; F160-L163 HydrophobicContact CG-CD1 4.07Å; F160-L163 WeakPolarHBondContact O-CB 3.48Å; F160-L163 PolarHBondContact O-N 3.36Å; F160-L163 VanDerWaalsContact O-N 3.16Å; S161-L163 VanDerWaalsContact C-N 3.28Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-E168 VanDerWaalsContact C-OE2 3.26Å; L163-E168 WeakPolarHBondContact CA-OE2 3.48Å; L163-E168 HydrophobicContact CB-CB 3.74Å; L163-E168 HydrophobicContact CD1-CB 3.9Å; L163-E168 HydrophobicContact CD2-CB 3.54Å; L163-E168 HydrophobicContact CD2-CG 4.14Å; L163-E168 HydrophobicContact CG-CB 3.89Å; L163-R169 HydrophobicContact CB-CG 4Å; L163-R169 HydrophobicContact CD1-CG 4.22Å; L163-R169 PolarHBondContact O-NE 2.89Å; L163-R169 PolarHBondContact O-NH2 3.36Å; L163-A172 HydrophobicContact CD1-CB 4.15Å
164	E	58.4	Low	57.1	Low	183 Å²	183	88.1 Å²	88.1	86%	0.855	44%	0.435	S	S	*	.			trans	-70.2	-31.1	-175.6	-64	-163.5	161.5	0	0	110.8	H162 E168	H162-E164 PolarHBondContact O-N 3.42Å; E164-E168 PolarHBondContact N-OE2 3.27Å
165	S	63.1	Low	56.4	Low	54 Å²	54	85 Å²	85	38%	0.378	42%	0.422	S	S	.	.	S	Bend	trans	-102.7	143.4	-174.3	-176.2	0	0	0	0	113.1	L163 Y167 E168 R169	L163-S165 VanDerWaalsContact C-N 3.29Å; S165-Y167 PolarHBondContact O-N 2.8Å; S165-Y167 VanDerWaalsContact O-N 3.16Å; S165-Y167 VanDerWaalsContact OG-CB 3.31Å; S165-Y167 WeakPolarHBondContact OG-CB 3.12Å; S165-Y167 PolarHBondContact OG-N 3.34Å; S165-Y167 VanDerWaalsContact OG-N 3.11Å; S165-E168 PolarHBondContact N-OE2 2.93Å; S165-E168 PolarHBondContact O-N 3.39Å; S165-E168 VanDerWaalsContact O-N 3.1Å; S165-R169 PolarHBondContact O-N 2.9Å
166	N	58.6	Low	56.3	Low	114 Å²	114	84.9 Å²	84.9	61%	0.61	42%	0.422	S	S	*	.	H	α-helix	trans	-53.7	-30.9	165.8	-71.6	-22.7	0	0	0	111.4	R169 A170	N166-R169 PolarHBondContact O-N 3.08Å; N166-A170 VanDerWaalsContact O-CB 3.3Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å
167	Y	59.3	Low	56.6	Low	108 Å²	108	87.8 Å²	87.8	42%	0.424	43%	0.429	S	S	.	.	H	α-helix	trans	-56.1	-53.1	174.6	175.7	-87	0	0	0	111.8	S165 R169 A170 V171 L198	S165-Y167 PolarHBondContact O-N 2.8Å; S165-Y167 VanDerWaalsContact O-N 3.16Å; S165-Y167 VanDerWaalsContact OG-CB 3.31Å; S165-Y167 WeakPolarHBondContact OG-CB 3.12Å; S165-Y167 PolarHBondContact OG-N 3.34Å; S165-Y167 VanDerWaalsContact OG-N 3.11Å; Y167-R169 VanDerWaalsContact C-N 3.32Å; Y167-R169 PolarHBondContact O-N 3.44Å; Y167-A170 PolarHBondContact O-N 2.73Å; Y167-V171 HydrophobicContact CD1-CG2 4.13Å; Y167-V171 HydrophobicContact CE1-CG2 3.74Å; Y167-V171 HydrophobicContact CE2-CG2 4.17Å; Y167-V171 WeakPolarHBondContact O-CB 3.38Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 2.75Å; Y167-L198 HydrophobicContact CD2-CB 4.22Å; Y167-L198 HydrophobicContact CD2-CD1 3.45Å; Y167-L198 VanDerWaalsContact CD2-CD1 3.45Å; Y167-L198 HydrophobicContact CD2-CD2 3.95Å; Y167-L198 HydrophobicContact CD2-CG 4.04Å; Y167-L198 HydrophobicContact CE2-CD1 4.16Å; Y167-L198 HydrophobicContact CG-CD1 3.99Å; Y167-L198 HydrophobicContact CG-CD2 4.41Å
168	E	55.5	Low	57	Low	76 Å²	76	80 Å²	80	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-65.4	-39.8	-175.1	-66.5	173.1	149.6	0	0	111	L163 E164 S165 V171 A172	L163-E168 VanDerWaalsContact C-OE2 3.26Å; L163-E168 WeakPolarHBondContact CA-OE2 3.48Å; L163-E168 HydrophobicContact CB-CB 3.74Å; L163-E168 HydrophobicContact CD1-CB 3.9Å; L163-E168 HydrophobicContact CD2-CB 3.54Å; L163-E168 HydrophobicContact CD2-CG 4.14Å; L163-E168 HydrophobicContact CG-CB 3.89Å; E164-E168 PolarHBondContact N-OE2 3.27Å; S165-E168 PolarHBondContact N-OE2 2.93Å; S165-E168 PolarHBondContact O-N 3.39Å; S165-E168 VanDerWaalsContact O-N 3.1Å; E168-V171 PolarHBondContact O-N 3.31Å; E168-A172 VanDerWaalsContact O-CB 3.31Å; E168-A172 WeakPolarHBondContact O-CB 3.41Å; E168-A172 PolarHBondContact O-N 3.23Å
169	R	57.5	Low	57.3	Low	110 Å²	110	73.9 Å²	73.9	42%	0.415	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.5	-66.2	-179.5	-175	159.8	3.9	112	L163 S165 N166 Y167 R173	L163-R169 HydrophobicContact CB-CG 4Å; L163-R169 HydrophobicContact CD1-CG 4.22Å; L163-R169 PolarHBondContact O-NE 2.89Å; L163-R169 PolarHBondContact O-NH2 3.36Å; S165-R169 PolarHBondContact O-N 2.9Å; N166-R169 PolarHBondContact O-N 3.08Å; Y167-R169 VanDerWaalsContact C-N 3.32Å; Y167-R169 PolarHBondContact O-N 3.44Å; R169-R173 WeakPolarHBondContact O-CG 3.5Å; R169-R173 PolarHBondContact O-N 3.35Å
170	A	57.2	Low	57.6	Low	22 Å²	22	74.9 Å²	74.9	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-68.2	-43.9	179	0	0	0	0	0	110.8	N166 Y167 A172 R173 E174 A194 L198	N166-A170 VanDerWaalsContact O-CB 3.3Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å; Y167-A170 PolarHBondContact O-N 2.73Å; A170-A172 PolarHBondContact O-N 3.02Å; A170-R173 PolarHBondContact O-N 2.86Å; A170-E174 PolarHBondContact O-N 3.33Å; A170-A194 HydrophobicContact CB-CB 3.46Å; A170-A194 VanDerWaalsContact CB-CB 3.46Å; A170-A194 VanDerWaalsContact O-CB 3.24Å; A170-A194 WeakPolarHBondContact O-CB 3.47Å; A170-L198 HydrophobicContact CB-CD1 4.11Å
171	V	58.1	Low	57.7	Low	32 Å²	32	72.7 Å²	72.7	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-44.5	174.4	171.1	0	0	0	0	111.3	Y167 E168 E174 L175 L195	Y167-V171 HydrophobicContact CD1-CG2 4.13Å; Y167-V171 HydrophobicContact CE1-CG2 3.74Å; Y167-V171 HydrophobicContact CE2-CG2 4.17Å; Y167-V171 WeakPolarHBondContact O-CB 3.38Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 2.75Å; E168-V171 PolarHBondContact O-N 3.31Å; V171-E174 PolarHBondContact O-N 2.93Å; V171-L175 HydrophobicContact CG1-CD1 3.87Å; V171-L175 HydrophobicContact CG1-CG 4.22Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.31Å; V171-L175 PolarHBondContact O-N 2.92Å; V171-L195 HydrophobicContact CG2-CD1 4.19Å
172	A	58.7	Low	58	Low	18 Å²	18	72.8 Å²	72.8	15%	0.149	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-44.8	177.8	0	0	0	0	0	112.8	F160 L163 E168 A170 E174 L175 D176	F160-A172 HydrophobicContact CD1-CB 4Å; F160-A172 HydrophobicContact CE1-CB 3.29Å; F160-A172 HydrophobicContact CZ-CB 3.82Å; L163-A172 HydrophobicContact CD1-CB 4.15Å; E168-A172 VanDerWaalsContact O-CB 3.31Å; E168-A172 WeakPolarHBondContact O-CB 3.41Å; E168-A172 PolarHBondContact O-N 3.23Å; A170-A172 PolarHBondContact O-N 3.02Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.22Å; A172-L175 PolarHBondContact O-N 3.14Å; A172-D176 PolarHBondContact O-N 2.89Å; A172-D176 VanDerWaalsContact O-N 3.08Å
173	R	60.1	Low	58.2	Low	183 Å²	183	69.3 Å²	69.3	69%	0.691	34%	0.342	S	S	*	.	H	α-helix	trans	-59.2	-40.7	174.8	-77.2	176.8	179.2	173	1.2	112.1	R169 A170 D176 Q177	R169-R173 WeakPolarHBondContact O-CG 3.5Å; R169-R173 PolarHBondContact O-N 3.35Å; A170-R173 PolarHBondContact O-N 2.86Å; R173-D176 WeakPolarHBondContact O-CB 3.47Å; R173-D176 PolarHBondContact O-N 3.26Å; R173-Q177 PolarHBondContact O-N 2.92Å
174	E	61.3	Low	58.5	Low	25 Å²	25	73.3 Å²	73.3	12%	0.117	36%	0.363	C	S	.	.	H	α-helix	trans	-80.7	-28.1	-179.7	-159.3	122.7	172.9	0	0	113.8	A170 V171 A172 D176 Q177 S178 P192 N193 A194	A170-E174 PolarHBondContact O-N 3.33Å; V171-E174 PolarHBondContact O-N 2.93Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.22Å; E174-D176 PolarHBondContact O-N 3.32Å; E174-Q177 PolarHBondContact O-N 2.94Å; E174-S178 WeakPolarHBondContact O-CB 3.49Å; E174-S178 PolarHBondContact O-N 3Å; E174-P192 HydrophobicContact CB-CB 3.89Å; E174-P192 VanDerWaalsContact CD-CA 3.43Å; E174-P192 HydrophobicContact CG-CB 3.5Å; E174-P192 VanDerWaalsContact CG-CB 3.5Å; E174-P192 HydrophobicContact CG-CG 4.17Å; E174-P192 VanDerWaalsContact OE1-CA 3.22Å; E174-P192 WeakPolarHBondContact OE1-CA 3.26Å; E174-N193 PolarHBondContact OE1-N 3.38Å; E174-N193 WeakPolarHBondContact OE2-CB 3.39Å; E174-N193 PolarHBondContact OE2-N 3.47Å; E174-A194 HydrophobicContact CB-CB 4.17Å; E174-A194 PolarHBondContact OE2-N 2.97Å; E174-A194 VanDerWaalsContact OE2-N 3.11Å
175	L	59	Low	58.1	Low	83 Å²	83	67.8 Å²	67.8	44%	0.435	36%	0.355	S	S	.	.	H	α-helix	trans	-59.2	-41.8	168.3	-77.7	170.9	0	0	0	110.1	V171 A172 S178 V179	V171-L175 HydrophobicContact CG1-CD1 3.87Å; V171-L175 HydrophobicContact CG1-CG 4.22Å; V171-L175 WeakPolarHBondContact O-CB 3.26Å; V171-L175 VanDerWaalsContact O-CG 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.31Å; V171-L175 PolarHBondContact O-N 2.92Å; A172-L175 PolarHBondContact O-N 3.14Å; L175-S178 PolarHBondContact O-N 3.2Å; L175-V179 WeakPolarHBondContact O-CB 3.22Å; L175-V179 VanDerWaalsContact O-CG2 3.22Å; L175-V179 WeakPolarHBondContact O-CG2 3.15Å; L175-V179 PolarHBondContact O-N 2.76Å
176	D	60.8	Low	57.6	Low	56 Å²	56	70 Å²	70	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-50.6	173.9	-170.9	55.8	0	0	0	112	N43 A172 R173 E174 S178 V179 T180	N43-D176 PolarHBondContact ND2-OD1 3.43Å; N43-D176 VanDerWaalsContact ND2-OD1 3.07Å; A172-D176 PolarHBondContact O-N 2.89Å; A172-D176 VanDerWaalsContact O-N 3.08Å; R173-D176 WeakPolarHBondContact O-CB 3.47Å; R173-D176 PolarHBondContact O-N 3.26Å; E174-D176 PolarHBondContact O-N 3.32Å; D176-S178 VanDerWaalsContact C-N 3.32Å; D176-S178 PolarHBondContact O-N 3.31Å; D176-V179 WeakPolarHBondContact O-CA 3.32Å; D176-V179 WeakPolarHBondContact O-CB 3.37Å; D176-V179 PolarHBondContact O-N 3.17Å; D176-V179 VanDerWaalsContact O-N 3.09Å; D176-T180 PolarHBondContact O-N 3.26Å; D176-T180 PolarHBondContact O-OG1 3.01Å; D176-T180 VanDerWaalsContact O-OG1 3.08Å
177	Q	60.8	Low	57.1	Low	114 Å²	114	74.9 Å²	74.9	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-38.1	175.1	-71.1	-176.6	-0	0	0	113.5	R173 E174 V179 T180 A181	R173-Q177 PolarHBondContact O-N 2.92Å; E174-Q177 PolarHBondContact O-N 2.94Å; Q177-V179 VanDerWaalsContact C-N 3.32Å; Q177-T180 PolarHBondContact O-N 3.36Å; Q177-A181 VanDerWaalsContact O-CB 3.23Å; Q177-A181 WeakPolarHBondContact O-CB 3.29Å; Q177-A181 PolarHBondContact O-N 3.37Å
178	S	60.5	Low	56.6	Low	25 Å²	25	72.5 Å²	72.5	18%	0.175	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-36.4	176.5	178.4	0	0	0	0	111.1	E174 L175 D176 Q182	E174-S178 WeakPolarHBondContact O-CB 3.49Å; E174-S178 PolarHBondContact O-N 3Å; L175-S178 PolarHBondContact O-N 3.2Å; D176-S178 VanDerWaalsContact C-N 3.32Å; D176-S178 PolarHBondContact O-N 3.31Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 WeakPolarHBondContact O-CG 3.38Å; S178-Q182 PolarHBondContact O-N 3.43Å; S178-Q182 PolarHBondContact O-NE2 2.94Å; S178-Q182 PolarHBondContact OG-NE2 3.05Å
179	V	57.3	Low	56.2	Low	4 Å²	4	78.4 Å²	78.4	2%	0.024	40%	0.395	C	S	.	.	H	α-helix	trans	-66.1	-49.3	170.8	169.4	0	0	0	0	110.4	N43 R48 F54 L175 D176 Q177 A181 Q182 I183	N43-V179 WeakPolarHBondContact ND2-CG1 3.44Å; R48-V179 VanDerWaalsContact NH2-CG2 3.32Å; F54-V179 HydrophobicContact CD1-CG1 4.13Å; F54-V179 HydrophobicContact CD2-CG1 4.12Å; F54-V179 HydrophobicContact CD2-CG2 3.95Å; F54-V179 HydrophobicContact CE1-CG1 3.58Å; F54-V179 HydrophobicContact CE2-CB 4.37Å; F54-V179 HydrophobicContact CE2-CG1 3.57Å; F54-V179 HydrophobicContact CE2-CG2 3.78Å; F54-V179 HydrophobicContact CG-CG1 4.38Å; F54-V179 HydrophobicContact CZ-CB 4.48Å; F54-V179 HydrophobicContact CZ-CG1 3.27Å; F54-V179 HydrophobicContact CZ-CG2 4.37Å; L175-V179 WeakPolarHBondContact O-CB 3.22Å; L175-V179 VanDerWaalsContact O-CG2 3.22Å; L175-V179 WeakPolarHBondContact O-CG2 3.15Å; L175-V179 PolarHBondContact O-N 2.76Å; D176-V179 WeakPolarHBondContact O-CA 3.32Å; D176-V179 WeakPolarHBondContact O-CB 3.37Å; D176-V179 PolarHBondContact O-N 3.17Å; D176-V179 VanDerWaalsContact O-N 3.09Å; Q177-V179 VanDerWaalsContact C-N 3.32Å; V179-A181 VanDerWaalsContact C-N 3.3Å; V179-A181 PolarHBondContact O-N 3.48Å; V179-Q182 WeakPolarHBondContact O-CB 3.35Å; V179-Q182 PolarHBondContact O-N 3.19Å; V179-Q182 VanDerWaalsContact O-N 3.14Å; V179-I183 HydrophobicContact CG1-CD1 3.74Å; V179-I183 HydrophobicContact CG1-CG1 4.35Å; V179-I183 VanDerWaalsContact O-CG1 3.29Å; V179-I183 WeakPolarHBondContact O-CG1 3.42Å; V179-I183 PolarHBondContact O-N 2.89Å
180	T	57.1	Low	55.8	Low	51 Å²	51	75.9 Å²	75.9	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-56.7	-44.5	175.1	-45.8	0	0	0	0	111.5	D176 Q177 I183 L184	D176-T180 PolarHBondContact O-N 3.26Å; D176-T180 PolarHBondContact O-OG1 3.01Å; D176-T180 VanDerWaalsContact O-OG1 3.08Å; Q177-T180 PolarHBondContact O-N 3.36Å; T180-I183 PolarHBondContact O-N 3.16Å; T180-L184 HydrophobicContact CG2-CD1 4.1Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 WeakPolarHBondContact O-CG 3.19Å; T180-L184 PolarHBondContact O-N 3.34Å
181	A	56	Low	55.7	Low	18 Å²	18	78.4 Å²	78.4	15%	0.149	41%	0.407	C	S	.	.	H	α-helix	trans	-61.6	-44.7	176.8	0	0	0	0	0	111.2	Q177 V179 L184 G185 I186	Q177-A181 VanDerWaalsContact O-CB 3.23Å; Q177-A181 WeakPolarHBondContact O-CB 3.29Å; Q177-A181 PolarHBondContact O-N 3.37Å; V179-A181 VanDerWaalsContact C-N 3.3Å; V179-A181 PolarHBondContact O-N 3.48Å; A181-L184 CarbonylContact O-C 3.55Å; A181-L184 PolarHBondContact O-N 3.17Å; A181-G185 PolarHBondContact O-N 3.14Å; A181-I186 CarbonylContact C-O 3.55Å; A181-I186 HydrophobicContact CB-CB 4.09Å; A181-I186 HydrophobicContact CB-CG2 4.41Å; A181-I186 CarbonylContact O-C 3.56Å; A181-I186 WeakPolarHBondContact O-CA 3.4Å; A181-I186 WeakPolarHBondContact O-CB 3.46Å; A181-I186 PolarHBondContact O-N 3.19Å; A181-I186 VanDerWaalsContact O-O 3.12Å
182	Q	55.3	Low	55.7	Low	77 Å²	77	79 Å²	79	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-60.9	-45.3	175.2	-77.8	166.2	50.5	0	0	112.1	R48 S178 V179 L184 G185	R48-Q182 VanDerWaalsContact NH2-NE2 3.14Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 WeakPolarHBondContact O-CG 3.38Å; S178-Q182 PolarHBondContact O-N 3.43Å; S178-Q182 PolarHBondContact O-NE2 2.94Å; S178-Q182 PolarHBondContact OG-NE2 3.05Å; V179-Q182 WeakPolarHBondContact O-CB 3.35Å; V179-Q182 PolarHBondContact O-N 3.19Å; V179-Q182 VanDerWaalsContact O-N 3.14Å; Q182-L184 VanDerWaalsContact C-N 3.3Å; Q182-L184 PolarHBondContact O-N 2.98Å; Q182-G185 PolarHBondContact O-N 3.49Å
183	I	53.4	Low	55.7	Low	68 Å²	68	82.2 Å²	82.2	35%	0.349	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-41.6	177.2	-68.3	167.6	0	0	0	110.8	F45 F54 V56 V179 T180 G185	F45-I183 HydrophobicContact CB-CD1 3.56Å; F45-I183 HydrophobicContact CD1-CD1 4.29Å; F45-I183 HydrophobicContact CD2-CD1 4.24Å; F45-I183 HydrophobicContact CG-CD1 3.77Å; F54-I183 HydrophobicContact CD1-CG1 4.36Å; F54-I183 HydrophobicContact CE1-CD1 3.93Å; F54-I183 HydrophobicContact CE1-CG1 4.18Å; V56-I183 HydrophobicContact CG2-CD1 4.47Å; V56-I183 HydrophobicContact CG2-CG1 3.95Å; V179-I183 HydrophobicContact CG1-CD1 3.74Å; V179-I183 HydrophobicContact CG1-CG1 4.35Å; V179-I183 VanDerWaalsContact O-CG1 3.29Å; V179-I183 WeakPolarHBondContact O-CG1 3.42Å; V179-I183 PolarHBondContact O-N 2.89Å; T180-I183 PolarHBondContact O-N 3.16Å; I183-G185 PolarHBondContact O-N 2.86Å
184	L	60.5	Low	55.6	Low	119 Å²	119	73.9 Å²	73.9	62%	0.623	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	1.7	176.5	-66.6	174.4	0	0	0	113.6	T180 A181 Q182 I186	T180-L184 HydrophobicContact CG2-CD1 4.1Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 WeakPolarHBondContact O-CG 3.19Å; T180-L184 PolarHBondContact O-N 3.34Å; A181-L184 CarbonylContact O-C 3.55Å; A181-L184 PolarHBondContact O-N 3.17Å; Q182-L184 VanDerWaalsContact C-N 3.3Å; Q182-L184 PolarHBondContact O-N 2.98Å; L184-I186 HydrophobicContact CB-CD1 3.96Å; L184-I186 HydrophobicContact CB-CG1 3.98Å; L184-I186 HydrophobicContact CD1-CD1 4.13Å; L184-I186 PolarHBondContact O-N 3.44Å
185	G	50.7	Low	55.4	Low	66 Å²	66	75.2 Å²	75.2	68%	0.68	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	11.6	-175.7	0	0	0	0	0	114.1	A181 Q182 I183 R187	A181-G185 PolarHBondContact O-N 3.14Å; Q182-G185 PolarHBondContact O-N 3.49Å; I183-G185 PolarHBondContact O-N 2.86Å; G185-R187 PolarHBondContact O-N 2.91Å
186	I	52.4	Low	55.6	Low	101 Å²	101	77.1 Å²	77.1	52%	0.518	41%	0.406	S	S	.	.			trans	-79.7	99	174.1	-55.7	172.4	0	0	0	107.1	A181 L184 S188	A181-I186 CarbonylContact C-O 3.55Å; A181-I186 HydrophobicContact CB-CB 4.09Å; A181-I186 HydrophobicContact CB-CG2 4.41Å; A181-I186 CarbonylContact O-C 3.56Å; A181-I186 WeakPolarHBondContact O-CA 3.4Å; A181-I186 WeakPolarHBondContact O-CB 3.46Å; A181-I186 PolarHBondContact O-N 3.19Å; A181-I186 VanDerWaalsContact O-O 3.12Å; L184-I186 HydrophobicContact CB-CD1 3.96Å; L184-I186 HydrophobicContact CB-CG1 3.98Å; L184-I186 HydrophobicContact CD1-CD1 4.13Å; L184-I186 PolarHBondContact O-N 3.44Å; I186-S188 PolarHBondContact O-N 2.99Å
187	R	47.2	Very low	56	Low	217 Å²	217	80.4 Å²	80.4	82%	0.819	42%	0.419	S	S	*	.			trans	-57.8	112.5	172	-159.6	177	-161.7	-120.6	4.9	108	G185 K189	G185-R187 PolarHBondContact O-N 2.91Å; R187-K189 WeakPolarHBondContact O-CG 3.39Å; R187-K189 PolarHBondContact O-N 3.31Å
188	S	50.2	Low	56	Low	58 Å²	58	76.5 Å²	76.5	41%	0.406	40%	0.402	S	S	.	.			trans	-59.7	109.4	173.1	-175.8	0	0	0	0	107.9	I186 S190	I186-S188 PolarHBondContact O-N 2.99Å; S188-S190 VanDerWaalsContact C-N 3.34Å; S188-S190 PolarHBondContact OG-O 3.16Å
189	K	45.5	Very low	56.5	Low	200 Å²	200	79.5 Å²	79.5	87%	0.87	42%	0.415	S	S	*	.			trans	-87.4	-7	-176.5	-69.8	-171.6	-178.7	177.4	0	112.4	R187	R187-K189 WeakPolarHBondContact O-CG 3.39Å; R187-K189 PolarHBondContact O-N 3.31Å
190	S	50.7	Low	57.5	Low	57 Å²	57	85 Å²	85	40%	0.399	44%	0.441	S	S	.	.	S	Bend	trans	-132.4	151.1	-168.8	50.1	0	0	0	0	112.2	S188	S188-S190 VanDerWaalsContact C-N 3.34Å; S188-S190 PolarHBondContact OG-O 3.16Å
191	V	54.9	Low	58.5	Low	74 Å²	74	87.5 Å²	87.5	45%	0.448	45%	0.449	S	S	.	.			trans	-48	132.7	161.5	179.7	0	0	0	0	108	N193 L195 R196	V191-N193 PolarHBondContact O-N 3.03Å; V191-L195 HydrophobicContact CG1-CB 3.64Å; V191-L195 HydrophobicContact CG1-CD2 3.97Å; V191-L195 HydrophobicContact CG1-CG 4.44Å; V191-R196 HydrophobicContact CB-CG 4.04Å; V191-R196 HydrophobicContact CG1-CG 3.94Å
192	P	58.1	Low	59.4	Low	45 Å²	45	92.1 Å²	92.1	29%	0.292	46%	0.462	S	S	.	.			trans	-41.8	129	173.5	-36.2	40.3	0	0	0	112	E174 A194 L195 R196	E174-P192 HydrophobicContact CB-CB 3.89Å; E174-P192 VanDerWaalsContact CD-CA 3.43Å; E174-P192 HydrophobicContact CG-CB 3.5Å; E174-P192 VanDerWaalsContact CG-CB 3.5Å; E174-P192 HydrophobicContact CG-CG 4.17Å; E174-P192 VanDerWaalsContact OE1-CA 3.22Å; E174-P192 WeakPolarHBondContact OE1-CA 3.26Å; P192-A194 PolarHBondContact O-N 3.1Å; P192-L195 HydrophobicContact CB-CB 4.2Å; P192-L195 WeakPolarHBondContact O-CA 3.49Å; P192-L195 WeakPolarHBondContact O-CB 3.38Å; P192-L195 PolarHBondContact O-N 3.47Å; P192-R196 PolarHBondContact O-N 2.97Å; P192-R196 VanDerWaalsContact O-N 3.08Å
193	N	58.6	Low	60.6	Low	86 Å²	86	96.4 Å²	96.4	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-54.9	-39.2	179.5	-77.2	-21.7	0	0	0	111.4	E174 V191 L195 R196 E197	E174-N193 PolarHBondContact OE1-N 3.38Å; E174-N193 WeakPolarHBondContact OE2-CB 3.39Å; E174-N193 PolarHBondContact OE2-N 3.47Å; V191-N193 PolarHBondContact O-N 3.03Å; N193-L195 VanDerWaalsContact C-N 3.33Å; N193-L195 PolarHBondContact O-N 3.13Å; N193-R196 WeakPolarHBondContact O-CA 3.02Å; N193-R196 WeakPolarHBondContact O-CB 3.33Å; N193-R196 PolarHBondContact O-N 3.45Å; N193-E197 PolarHBondContact O-N 3.05Å
194	A	58.3	Low	62	Low	7 Å²	7	97.9 Å²	97.9	6%	0.058	48%	0.481	C	S	.	.	H	α-helix	trans	-47.7	-52.3	168.7	0	0	0	0	0	113	A170 E174 P192 R196 E197 L198	A170-A194 HydrophobicContact CB-CB 3.46Å; A170-A194 VanDerWaalsContact CB-CB 3.46Å; A170-A194 VanDerWaalsContact O-CB 3.24Å; A170-A194 WeakPolarHBondContact O-CB 3.47Å; E174-A194 HydrophobicContact CB-CB 4.17Å; E174-A194 PolarHBondContact OE2-N 2.97Å; E174-A194 VanDerWaalsContact OE2-N 3.11Å; P192-A194 PolarHBondContact O-N 3.1Å; A194-R196 VanDerWaalsContact C-N 3.27Å; A194-R196 PolarHBondContact O-N 3.16Å; A194-E197 PolarHBondContact O-N 2.96Å; A194-L198 WeakPolarHBondContact O-CD1 3.31Å; A194-L198 PolarHBondContact O-N 2.88Å; A194-L198 VanDerWaalsContact O-N 3.08Å
195	L	55.5	Low	62.9	Low	54 Å²	54	96.4 Å²	96.4	28%	0.283	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-34.4	178.5	-123.5	103.7	0	0	0	111.8	V171 V191 P192 N193 L199	V171-L195 HydrophobicContact CG2-CD1 4.19Å; V191-L195 HydrophobicContact CG1-CB 3.64Å; V191-L195 HydrophobicContact CG1-CD2 3.97Å; V191-L195 HydrophobicContact CG1-CG 4.44Å; P192-L195 HydrophobicContact CB-CB 4.2Å; P192-L195 WeakPolarHBondContact O-CA 3.49Å; P192-L195 WeakPolarHBondContact O-CB 3.38Å; P192-L195 PolarHBondContact O-N 3.47Å; N193-L195 VanDerWaalsContact C-N 3.33Å; N193-L195 PolarHBondContact O-N 3.13Å; L195-L199 HydrophobicContact CD2-CD1 4.38Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.36Å; L195-L199 WeakPolarHBondContact O-CD1 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.37Å; L195-L199 PolarHBondContact O-N 3.08Å
196	R	64.9	Low	64.4	Low	123 Å²	123	96.6 Å²	96.6	46%	0.464	46%	0.456	S	S	.	.	H	α-helix	trans	-67.7	-47.8	179.7	-60.5	176.4	91.4	163.7	5.6	110.7	V191 P192 N193 A194 L198 L199 E200	V191-R196 HydrophobicContact CB-CG 4.04Å; V191-R196 HydrophobicContact CG1-CG 3.94Å; P192-R196 PolarHBondContact O-N 2.97Å; P192-R196 VanDerWaalsContact O-N 3.08Å; N193-R196 WeakPolarHBondContact O-CA 3.02Å; N193-R196 WeakPolarHBondContact O-CB 3.33Å; N193-R196 PolarHBondContact O-N 3.45Å; A194-R196 VanDerWaalsContact C-N 3.27Å; A194-R196 PolarHBondContact O-N 3.16Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.48Å; R196-L199 PolarHBondContact O-N 3.37Å; R196-E200 WeakPolarHBondContact O-CB 3.36Å; R196-E200 VanDerWaalsContact O-CG 3.31Å; R196-E200 WeakPolarHBondContact O-CG 3.47Å; R196-E200 PolarHBondContact O-N 3.41Å
197	E	68.9	Low	66	Low	125 Å²	125	97.3 Å²	97.3	58%	0.584	46%	0.455	S	S	*	.	H	α-helix	trans	-57.4	-44.3	175.2	-72.9	-179	173.4	0	0	110.9	N193 A194 E200 E201	N193-E197 PolarHBondContact O-N 3.05Å; A194-E197 PolarHBondContact O-N 2.96Å; E197-E200 CarbonylContact O-C 3.35Å; E197-E200 WeakPolarHBondContact O-CB 3.3Å; E197-E200 PolarHBondContact O-N 3.36Å; E197-E201 WeakPolarHBondContact O-CG 3.21Å; E197-E201 PolarHBondContact O-N 3.19Å
198	L	60.9	Low	67.8	Low	31 Å²	31	92.2 Å²	92.2	16%	0.162	44%	0.441	C	S	.	.	H	α-helix	trans	-69.1	-38.3	178.9	-76.6	146.6	0	0	0	113.6	Y167 A170 A194 R196 E200 E201 R202	Y167-L198 HydrophobicContact CD2-CB 4.22Å; Y167-L198 HydrophobicContact CD2-CD1 3.45Å; Y167-L198 VanDerWaalsContact CD2-CD1 3.45Å; Y167-L198 HydrophobicContact CD2-CD2 3.95Å; Y167-L198 HydrophobicContact CD2-CG 4.04Å; Y167-L198 HydrophobicContact CE2-CD1 4.16Å; Y167-L198 HydrophobicContact CG-CD1 3.99Å; Y167-L198 HydrophobicContact CG-CD2 4.41Å; A170-L198 HydrophobicContact CB-CD1 4.11Å; A194-L198 WeakPolarHBondContact O-CD1 3.31Å; A194-L198 PolarHBondContact O-N 2.88Å; A194-L198 VanDerWaalsContact O-N 3.08Å; R196-L198 VanDerWaalsContact C-N 3.3Å; R196-L198 PolarHBondContact O-N 3.48Å; L198-E200 PolarHBondContact O-N 3.48Å; L198-E201 PolarHBondContact O-N 3.03Å; L198-R202 WeakPolarHBondContact O-CB 3.26Å; L198-R202 PolarHBondContact O-N 3.3Å
199	L	70	Confident	69.3	Low	88 Å²	88	94.5 Å²	94.5	46%	0.461	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-34.9	172.5	-75.6	169.5	0	0	0	111	L195 R196 R203	L195-L199 HydrophobicContact CD2-CD1 4.38Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.36Å; L195-L199 WeakPolarHBondContact O-CD1 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.37Å; L195-L199 PolarHBondContact O-N 3.08Å; R196-L199 PolarHBondContact O-N 3.37Å; L199-R203 VanDerWaalsContact O-CB 3.26Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 WeakPolarHBondContact O-CD 3.49Å; L199-R203 WeakPolarHBondContact O-CG 3.24Å; L199-R203 PolarHBondContact O-N 3.19Å
200	E	78.4	Confident	71.1	Confident	120 Å²	120	91 Å²	91	56%	0.561	43%	0.432	S	S	*	.	H	α-helix	trans	-70.2	-45.9	174.6	-73.4	174.2	-172.2	0	0	111.6	R196 E197 L198 R202 R203 Q204	R196-E200 WeakPolarHBondContact O-CB 3.36Å; R196-E200 VanDerWaalsContact O-CG 3.31Å; R196-E200 WeakPolarHBondContact O-CG 3.47Å; R196-E200 PolarHBondContact O-N 3.41Å; E197-E200 CarbonylContact O-C 3.35Å; E197-E200 WeakPolarHBondContact O-CB 3.3Å; E197-E200 PolarHBondContact O-N 3.36Å; L198-E200 PolarHBondContact O-N 3.48Å; E200-R202 PolarHBondContact O-N 3.19Å; E200-R203 WeakPolarHBondContact O-CB 3.46Å; E200-R203 PolarHBondContact O-N 3Å; E200-Q204 PolarHBondContact O-N 3.32Å
201	E	78.2	Confident	72.6	Confident	104 Å²	104	94 Å²	94	49%	0.486	44%	0.439	S	S	.	.	H	α-helix	trans	-57.9	-48.1	173.8	-75.9	-177.2	172.9	0	0	111.5	E197 L198 R203 Q204 Q205	E197-E201 WeakPolarHBondContact O-CG 3.21Å; E197-E201 PolarHBondContact O-N 3.19Å; L198-E201 PolarHBondContact O-N 3.03Å; E201-R203 PolarHBondContact O-N 3.07Å; E201-Q204 WeakPolarHBondContact O-CB 3.49Å; E201-Q204 PolarHBondContact O-N 3.08Å; E201-Q204 VanDerWaalsContact O-N 3.12Å; E201-Q205 WeakPolarHBondContact O-CG 3.23Å; E201-Q205 PolarHBondContact O-N 3.09Å
202	R	75.5	Confident	73.8	Confident	114 Å²	114	94.4 Å²	94.4	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-66.2	-38.1	178.9	-171.7	62	-176.8	146.7	8	112	L198 E200 Q204 Q205 L206 E209	L198-R202 WeakPolarHBondContact O-CB 3.26Å; L198-R202 PolarHBondContact O-N 3.3Å; E200-R202 PolarHBondContact O-N 3.19Å; R202-Q204 PolarHBondContact O-N 2.86Å; R202-Q205 PolarHBondContact O-N 3.47Å; R202-L206 HydrophobicContact CG-CD1 4.28Å; R202-L206 WeakPolarHBondContact O-CB 3.32Å; R202-L206 VanDerWaalsContact O-CG 3.28Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 3.11Å; R202-E209 IonicContact NH1-OE1 3.95Å; R202-E209 PolarHBondContact NH1-OE1 2.82Å; R202-E209 IonicContact NH2-OE1 2.76Å
203	R	79.1	Confident	74.7	Confident	167 Å²	167	94 Å²	94	63%	0.63	45%	0.445	S	S	*	.	H	α-helix	trans	-61.3	-35.7	172.6	-81.6	170.4	178.2	-172.5	0.3	111.7	L199 E200 E201 K207	L199-R203 VanDerWaalsContact O-CB 3.26Å; L199-R203 WeakPolarHBondContact O-CB 3.35Å; L199-R203 WeakPolarHBondContact O-CD 3.49Å; L199-R203 WeakPolarHBondContact O-CG 3.24Å; L199-R203 PolarHBondContact O-N 3.19Å; E200-R203 WeakPolarHBondContact O-CB 3.46Å; E200-R203 PolarHBondContact O-N 3Å; E201-R203 PolarHBondContact O-N 3.07Å; R203-K207 WeakPolarHBondContact O-CG 3.42Å; R203-K207 PolarHBondContact O-N 3.33Å
204	Q	82.9	Confident	75.7	Confident	100 Å²	100	96.7 Å²	96.7	47%	0.467	45%	0.453	S	S	.	.	H	α-helix	trans	-71.3	-45.2	177.8	-162.5	67.9	4.9	0	0	111.3	E200 E201 R202 L206 K207 E208	E200-Q204 PolarHBondContact O-N 3.32Å; E201-Q204 WeakPolarHBondContact O-CB 3.49Å; E201-Q204 PolarHBondContact O-N 3.08Å; E201-Q204 VanDerWaalsContact O-N 3.12Å; R202-Q204 PolarHBondContact O-N 2.86Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 2.77Å; Q204-K207 WeakPolarHBondContact O-CB 3.48Å; Q204-K207 PolarHBondContact O-N 2.95Å; Q204-K207 VanDerWaalsContact O-N 3.16Å; Q204-E208 WeakPolarHBondContact O-CG 3.48Å; Q204-E208 PolarHBondContact O-N 3.3Å
205	Q	80.2	Confident	76.5	Confident	87 Å²	87	103.7 Å²	103.7	41%	0.407	48%	0.482	S	S	.	.	H	α-helix	trans	-58.2	-44.1	174.4	-70.9	173.5	3.2	0	0	112.2	E201 R202 K207 E208 E209	E201-Q205 WeakPolarHBondContact O-CG 3.23Å; E201-Q205 PolarHBondContact O-N 3.09Å; R202-Q205 PolarHBondContact O-N 3.47Å; Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.07Å; Q205-E208 WeakPolarHBondContact O-CB 3.5Å; Q205-E208 PolarHBondContact O-N 2.92Å; Q205-E209 WeakPolarHBondContact O-CG 3.39Å; Q205-E209 PolarHBondContact O-N 2.96Å
206	L	81.6	Confident	77.2	Confident	71 Å²	71	108.6 Å²	108.6	37%	0.372	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-36.6	177.7	-72.4	170.5	0	0	0	112.3	R202 Q204 E209 E210	R202-L206 HydrophobicContact CG-CD1 4.28Å; R202-L206 WeakPolarHBondContact O-CB 3.32Å; R202-L206 VanDerWaalsContact O-CG 3.28Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 3.11Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-L206 PolarHBondContact O-N 2.77Å; L206-E209 PolarHBondContact O-N 3.21Å; L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 WeakPolarHBondContact O-CG 3.45Å; L206-E210 PolarHBondContact O-N 2.8Å
207	K	85.5	Confident	77.4	Confident	116 Å²	116	107.3 Å²	107.3	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-41.2	173.4	-72.9	172.6	-176.8	176.2	0	111.8	R203 Q204 Q205 E210 E211	R203-K207 WeakPolarHBondContact O-CG 3.42Å; R203-K207 PolarHBondContact O-N 3.33Å; Q204-K207 WeakPolarHBondContact O-CB 3.48Å; Q204-K207 PolarHBondContact O-N 2.95Å; Q204-K207 VanDerWaalsContact O-N 3.16Å; Q205-K207 VanDerWaalsContact C-N 3.31Å; Q205-K207 PolarHBondContact O-N 3.07Å; K207-E210 PolarHBondContact O-N 3.28Å; K207-E211 WeakPolarHBondContact O-CG 3.44Å; K207-E211 PolarHBondContact O-N 3.05Å
208	E	85.3	Confident	76.9	Confident	110 Å²	110	109.9 Å²	109.9	51%	0.514	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-44	176.1	-69.7	172.3	-172.1	0	0	111	Q204 Q205 E210 E211 V212	Q204-E208 WeakPolarHBondContact O-CG 3.48Å; Q204-E208 PolarHBondContact O-N 3.3Å; Q205-E208 WeakPolarHBondContact O-CB 3.5Å; Q205-E208 PolarHBondContact O-N 2.92Å; E208-E210 PolarHBondContact O-N 3.3Å; E208-E211 PolarHBondContact O-N 3.31Å; E208-V212 VanDerWaalsContact O-CG2 3.23Å; E208-V212 WeakPolarHBondContact O-CG2 3.05Å; E208-V212 PolarHBondContact O-N 3.45Å
209	E	82.4	Confident	77.7	Confident	105 Å²	105	113.9 Å²	113.9	49%	0.491	56%	0.559	S	S	.	*	H	α-helix	trans	-60.2	-43	174.6	-71.8	171.6	-162.3	0	0	111.7	R202 Q205 L206 V212 G213	R202-E209 IonicContact NH1-OE1 3.95Å; R202-E209 PolarHBondContact NH1-OE1 2.82Å; R202-E209 IonicContact NH2-OE1 2.76Å; Q205-E209 WeakPolarHBondContact O-CG 3.39Å; Q205-E209 PolarHBondContact O-N 2.96Å; L206-E209 PolarHBondContact O-N 3.21Å; E209-V212 PolarHBondContact O-N 3.43Å; E209-G213 PolarHBondContact O-N 2.85Å
210	E	83	Confident	78.1	Confident	128 Å²	128	115.2 Å²	115.2	60%	0.598	56%	0.564	S	S	*	*	H	α-helix	trans	-65.1	-40.2	175.7	-78.6	-178.2	-177.4	0	0	113	L206 K207 E208 G213 K214	L206-E210 WeakPolarHBondContact O-CB 3.35Å; L206-E210 WeakPolarHBondContact O-CG 3.45Å; L206-E210 PolarHBondContact O-N 2.8Å; K207-E210 PolarHBondContact O-N 3.28Å; E208-E210 PolarHBondContact O-N 3.3Å; E210-G213 PolarHBondContact O-N 3.36Å; E210-K214 PolarHBondContact O-N 3.17Å
211	E	82	Confident	78.1	Confident	118 Å²	118	114.9 Å²	114.9	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-66.6	-40	176.7	-77.5	-172.6	-175.7	0	0	112.1	K207 E208 K214 K215	K207-E211 WeakPolarHBondContact O-CG 3.44Å; K207-E211 PolarHBondContact O-N 3.05Å; E208-E211 PolarHBondContact O-N 3.31Å; E211-K214 PolarHBondContact O-N 3.07Å; E211-K215 WeakPolarHBondContact O-CG 3.5Å; E211-K215 PolarHBondContact O-N 2.85Å; E211-K215 VanDerWaalsContact O-N 3.1Å
212	V	80.9	Confident	78.1	Confident	84 Å²	84	115.6 Å²	115.6	51%	0.509	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-43	174.3	174.5	0	0	0	0	110.4	E208 E209 K214 K215 M216	E208-V212 VanDerWaalsContact O-CG2 3.23Å; E208-V212 WeakPolarHBondContact O-CG2 3.05Å; E208-V212 PolarHBondContact O-N 3.45Å; E209-V212 PolarHBondContact O-N 3.43Å; V212-K214 PolarHBondContact O-N 3.16Å; V212-K215 PolarHBondContact O-N 3.37Å; V212-M216 PolarHBondContact O-N 3.01Å; V212-M216 VanDerWaalsContact O-N 3.1Å
213	G	76.1	Confident	78.3	Confident	35 Å²	35	115.7 Å²	115.7	36%	0.361	58%	0.578	S	S	.	*	H	α-helix	trans	-61.2	-39.1	176	0	0	0	0	0	113.8	E209 E210 M216 S217	E209-G213 PolarHBondContact O-N 2.85Å; E210-G213 PolarHBondContact O-N 3.36Å; G213-M216 PolarHBondContact O-N 3.22Å; G213-S217 PolarHBondContact O-N 2.98Å; G213-S217 PolarHBondContact O-OG 3.02Å
214	K	79.6	Confident	78.2	Confident	144 Å²	144	112.3 Å²	112.3	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-66.8	-38.2	174.2	-79	177.8	-178.7	167.8	0	112.9	E210 E211 V212 M216 S217 T218	E210-K214 PolarHBondContact O-N 3.17Å; E211-K214 PolarHBondContact O-N 3.07Å; V212-K214 PolarHBondContact O-N 3.16Å; K214-M216 VanDerWaalsContact C-N 3.33Å; K214-S217 WeakPolarHBondContact CA-OG 3.49Å; K214-S217 PolarHBondContact O-N 2.55Å; K214-S217 PolarHBondContact O-OG 3.33Å; K214-T218 PolarHBondContact O-OG1 3.36Å
215	K	76	Confident	77.9	Confident	154 Å²	154	113.1 Å²	113.1	67%	0.67	58%	0.582	S	S	*	*	H	α-helix	trans	-69.3	-28.6	177.5	-74.5	176.7	-176.9	170.5	0	113.2	E211 V212	E211-K215 WeakPolarHBondContact O-CG 3.5Å; E211-K215 PolarHBondContact O-N 2.85Å; E211-K215 VanDerWaalsContact O-N 3.1Å; V212-K215 PolarHBondContact O-N 3.37Å
216	M	70.6	Confident	77.7	Confident	156 Å²	156	115.2 Å²	115.2	77%	0.768	60%	0.595	S	S	*	*	H	α-helix	trans	-82.8	-14.5	176.6	-67.3	-157	-57.3	0	0	114.2	V212 G213 K214	V212-M216 PolarHBondContact O-N 3.01Å; V212-M216 VanDerWaalsContact O-N 3.1Å; G213-M216 PolarHBondContact O-N 3.22Å; K214-M216 VanDerWaalsContact C-N 3.33Å
217	S	67.3	Low	77.4	Confident	97 Å²	97	118.8 Å²	118.8	68%	0.678	61%	0.614	S	S	*	*			trans	-99.9	0.9	179.7	43.8	0	0	0	0	113.7	G213 K214	G213-S217 PolarHBondContact O-N 2.98Å; G213-S217 PolarHBondContact O-OG 3.02Å; K214-S217 WeakPolarHBondContact CA-OG 3.49Å; K214-S217 PolarHBondContact O-N 2.55Å; K214-S217 PolarHBondContact O-OG 3.33Å
218	T	60.1	Low	76.7	Confident	179 Å²	179	119.1 Å²	119.1	100%	1.098	62%	0.624	S	S	*	*			trans	-106.5	0	170.5	-50.7	0	0	0	0	109.5	K214	K214-T218 PolarHBondContact O-OG1 3.36Å

Retrieved 218 of 218 residues in 59.6 ms (Link to these results)

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