A0A077ZKE2_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZKE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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	53.6	Low	78.5	Confident	209 Å²	209	112.2 Å²	112.2	100%	1.03	58%	0.58	S	S	*	*				0	126.2	0	-85	-169.8	-99.8	0	0	108.5	G3	M1-G3 PolarHBondContact O-N 2.87Å
2	E	72	Confident	79.2	Confident	150 Å²	150	109.8 Å²	109.8	70%	0.701	57%	0.569	S	S	*	*			trans	-58.5	131.9	175.2	-107.9	176.1	150.2	0	0	110.4	K4 I5 A6	E2-K4 PolarHBondContact O-N 3.01Å; E2-I5 HydrophobicContact CB-CD1 4.23Å; E2-I5 HydrophobicContact CB-CG1 4.37Å; E2-I5 WeakPolarHBondContact O-CB 3.42Å; E2-I5 PolarHBondContact O-N 2.95Å; E2-A6 PolarHBondContact O-N 3.38Å
3	G	79	Confident	79.7	Confident	63 Å²	63	112.8 Å²	112.8	65%	0.649	58%	0.578	S	S	*	*	H	α-helix	trans	-56.8	-24.9	-171.6	0	0	0	0	0	115	M1 R7	M1-G3 PolarHBondContact O-N 2.87Å; G3-R7 PolarHBondContact O-N 3.41Å
4	K	76.6	Confident	80.4	Confident	166 Å²	166	116.6 Å²	116.6	72%	0.722	59%	0.592	S	S	*	*	H	α-helix	trans	-64.7	-41	173	-69.7	-179.6	-178.9	173.4	0	112.2	E2 W8	E2-K4 PolarHBondContact O-N 3.01Å; K4-W8 PolarHBondContact O-N 3.21Å
5	I	81.1	Confident	81	Confident	96 Å²	96	117.7 Å²	117.7	49%	0.492	59%	0.592	S	S	.	*	H	α-helix	trans	-69.1	-43	-178.5	-60.5	176	0	0	0	110	E2 R7 W8 A9	E2-I5 HydrophobicContact CB-CD1 4.23Å; E2-I5 HydrophobicContact CB-CG1 4.37Å; E2-I5 WeakPolarHBondContact O-CB 3.42Å; E2-I5 PolarHBondContact O-N 2.95Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.87Å; I5-W8 PolarHBondContact O-N 2.82Å; I5-A9 WeakPolarHBondContact O-CB 3.24Å; I5-A9 PolarHBondContact O-N 2.98Å
6	A	82.9	Confident	81.4	Confident	41 Å²	41	121.2 Å²	121.2	34%	0.339	61%	0.613	S	S	.	*	H	α-helix	trans	-60.7	-40.2	178.6	0	0	0	0	0	112.6	E2 A9 L10	E2-A6 PolarHBondContact O-N 3.38Å; A6-A9 PolarHBondContact O-N 2.92Å; A6-L10 PolarHBondContact O-N 3.31Å; A6-L10 VanDerWaalsContact O-N 3.11Å
7	R	79.1	Confident	81.6	Confident	171 Å²	171	119.6 Å²	119.6	65%	0.645	61%	0.606	S	S	*	*	H	α-helix	trans	-64	-42.6	177.3	-168.4	-174.4	71.4	164.3	5.9	112.3	G3 I5 A11	G3-R7 PolarHBondContact O-N 3.41Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.87Å; R7-A11 PolarHBondContact O-N 2.95Å
8	W	82.9	Confident	81.9	Confident	156 Å²	156	119.7 Å²	119.7	59%	0.591	62%	0.619	S	S	*	*	H	α-helix	trans	-68.3	-37.6	176.2	-76.7	114.6	0	0	0	111.9	K4 I5 L10 A11 L12	K4-W8 PolarHBondContact O-N 3.21Å; I5-W8 PolarHBondContact O-N 2.82Å; W8-L10 PolarHBondContact O-N 3.15Å; W8-A11 PolarHBondContact O-N 3.34Å; W8-L12 VanDerWaalsContact O-CB 3.32Å; W8-L12 WeakPolarHBondContact O-CB 3.34Å; W8-L12 WeakPolarHBondContact O-CG 3.36Å; W8-L12 PolarHBondContact O-N 2.98Å
9	A	84.4	Confident	81.9	Confident	43 Å²	43	120.9 Å²	120.9	36%	0.355	63%	0.632	S	S	.	*	H	α-helix	trans	-59.3	-45.2	176.2	0	0	0	0	0	112	I5 A6 L12 Q13	I5-A9 WeakPolarHBondContact O-CB 3.24Å; I5-A9 PolarHBondContact O-N 2.98Å; A6-A9 PolarHBondContact O-N 2.92Å; A9-L12 PolarHBondContact O-N 2.92Å; A9-Q13 WeakPolarHBondContact O-CG 3.39Å; A9-Q13 PolarHBondContact O-N 3.3Å
10	L	85	Confident	82.1	Confident	96 Å²	96	120.1 Å²	120.1	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-62.5	-45.2	176	-72	169.9	0	0	0	112.4	A6 W8 L12 Q13	A6-L10 PolarHBondContact O-N 3.31Å; A6-L10 VanDerWaalsContact O-N 3.11Å; W8-L10 PolarHBondContact O-N 3.15Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.34Å; L10-Q13 PolarHBondContact O-N 3.29Å
11	A	86.6	Confident	82.4	Confident	43 Å²	43	123.6 Å²	123.6	36%	0.355	64%	0.643	S	S	.	*	H	α-helix	trans	-64.9	-33.8	178.4	0	0	0	0	0	112.4	R7 W8 F15	R7-A11 PolarHBondContact O-N 2.95Å; W8-A11 PolarHBondContact O-N 3.34Å; A11-F15 WeakPolarHBondContact O-CD2 3.19Å; A11-F15 WeakPolarHBondContact O-CE2 3.39Å
12	L	87	Confident	83.7	Confident	84 Å²	84	116.5 Å²	116.5	44%	0.44	61%	0.613	S	S	.	*	H	α-helix	trans	-76.8	-24.4	178.4	-72.1	171.6	0	0	0	112.7	W8 A9 L10 E14 F15 L17	W8-L12 VanDerWaalsContact O-CB 3.32Å; W8-L12 WeakPolarHBondContact O-CB 3.34Å; W8-L12 WeakPolarHBondContact O-CG 3.36Å; W8-L12 PolarHBondContact O-N 2.98Å; A9-L12 PolarHBondContact O-N 2.92Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.34Å; L12-E14 PolarHBondContact O-N 3.29Å; L12-F15 PolarHBondContact O-N 3.22Å; L12-L17 HydrophobicContact CB-CD1 3.77Å; L12-L17 HydrophobicContact CD2-CD1 3.85Å; L12-L17 HydrophobicContact CG-CD1 4.31Å; L12-L17 WeakPolarHBondContact O-CD1 3.47Å
13	Q	86.3	Confident	84.4	Confident	149 Å²	149	116.5 Å²	116.5	70%	0.696	61%	0.607	S	S	*	*	H	α-helix	trans	-66	-19.5	178.5	-84.5	175	-9.7	0	0	114	A9 L10 F15	A9-Q13 WeakPolarHBondContact O-CG 3.39Å; A9-Q13 PolarHBondContact O-N 3.3Å; L10-Q13 PolarHBondContact O-N 3.29Å; Q13-F15 PolarHBondContact O-N 2.87Å
14	E	89.3	Confident	84.3	Confident	165 Å²	165	117.9 Å²	117.9	77%	0.771	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-12.6	175.9	-64	178.9	179	0	0	112.9	L12	L12-E14 PolarHBondContact O-N 3.29Å
15	F	89.3	Confident	84.5	Confident	133 Å²	133	120.1 Å²	120.1	58%	0.583	62%	0.622	S	S	*	*	S	Bend	trans	-112.1	144.1	-176.2	-58.8	-88.1	0	0	0	111.1	A11 L12 Q13 L17	A11-F15 WeakPolarHBondContact O-CD2 3.19Å; A11-F15 WeakPolarHBondContact O-CE2 3.39Å; L12-F15 PolarHBondContact O-N 3.22Å; Q13-F15 PolarHBondContact O-N 2.87Å; F15-L17 HydrophobicContact CB-CD1 4.47Å; F15-L17 HydrophobicContact CB-CD2 3.88Å; F15-L17 HydrophobicContact CB-CG 3.89Å; F15-L17 PolarHBondContact O-N 3.34Å
16	D	87.2	Confident	84.3	Confident	174 Å²	174	121 Å²	121	93%	0.93	62%	0.624	S	S	*	*			trans	-81.6	99	166.7	-168.2	9.7	0	0	0	108.9
17	L	84.7	Confident	84	Confident	94 Å²	94	123.5 Å²	123.5	49%	0.492	63%	0.631	S	S	.	*			trans	-101	128.7	-170.4	-64.6	167.4	0	0	0	111.2	L12 F15	L12-L17 HydrophobicContact CB-CD1 3.77Å; L12-L17 HydrophobicContact CD2-CD1 3.85Å; L12-L17 HydrophobicContact CG-CD1 4.31Å; L12-L17 WeakPolarHBondContact O-CD1 3.47Å; F15-L17 HydrophobicContact CB-CD1 4.47Å; F15-L17 HydrophobicContact CB-CD2 3.88Å; F15-L17 HydrophobicContact CB-CG 3.89Å; F15-L17 PolarHBondContact O-N 3.34Å
18	S	86.2	Confident	83.5	Confident	121 Å²	121	124.7 Å²	124.7	85%	0.846	64%	0.641	S	S	*	*			trans	-103.3	123.9	163.3	60.5	0	0	0	0	109.7
19	V	83.3	Confident	82.7	Confident	144 Å²	144	120.5 Å²	120.5	87%	0.873	64%	0.64	S	S	*	*			trans	-104.6	107.4	178.6	-177.4	0	0	0	0	108.5
20	S	85.8	Confident	81.8	Confident	104 Å²	104	123 Å²	123	73%	0.727	65%	0.647	S	S	*	*			trans	-102.9	132.3	172.3	60.1	0	0	0	0	110.7
21	Y	87.2	Confident	80.3	Confident	193 Å²	193	121.7 Å²	121.7	76%	0.757	65%	0.645	S	S	*	*			trans	-69.2	131.5	171.4	173.1	-101.7	0	0	0	110.8	R23	Y21-R23 HydrophobicContact CE1-CB 4.43Å; Y21-R23 HydrophobicContact CE1-CG 3.51Å
22	C	82.3	Confident	78.6	Confident	60 Å²	60	124.1 Å²	124.1	41%	0.405	65%	0.651	S	S	.	*			trans	-122.8	129	168.6	-173	0	0	0	0	108.9	E26 N27	C22-E26 VanDerWaalsContact SG-C 3.56Å; C22-N27 PolarHBondContact SG-N 2.89Å; C22-N27 VanDerWaalsContact SG-N 3.45Å
23	R	85.4	Confident	77	Confident	150 Å²	150	124.5 Å²	124.5	57%	0.566	66%	0.66	S	S	*	*			trans	-62.7	142.4	177.3	-69.2	-174.4	176.3	115.3	-0.5	109.3	Y21 K25 E26 N27	Y21-R23 HydrophobicContact CE1-CB 4.43Å; Y21-R23 HydrophobicContact CE1-CG 3.51Å; R23-K25 PolarHBondContact O-N 3.37Å; R23-E26 HydrophobicContact CB-CB 4.46Å; R23-E26 HydrophobicContact CB-CG 4.4Å; R23-E26 IonicContact NH1-OE1 3.81Å; R23-E26 CarbonylContact O-C 3.55Å; R23-E26 WeakPolarHBondContact O-CA 3.5Å; R23-E26 PolarHBondContact O-N 3.31Å; R23-N27 PolarHBondContact O-N 3.42Å
24	A	77.2	Confident	75.6	Confident	92 Å²	92	128.5 Å²	128.5	76%	0.76	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-32.8	-176.4	0	0	0	0	0	114.3	E26	A24-E26 VanDerWaalsContact C-N 3.34Å
25	K	80.6	Confident	73.7	Confident	213 Å²	213	129.4 Å²	129.4	93%	0.926	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-26.5	176.4	-67.4	-174.4	178.6	-177.1	0	113.8	R23	R23-K25 PolarHBondContact O-N 3.37Å
26	E	77.8	Confident	72	Confident	115 Å²	115	129.5 Å²	129.5	54%	0.537	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96	-17	-179.5	-66.1	163.9	-165.6	0	0	111.5	C22 R23 A24 K28	C22-E26 VanDerWaalsContact SG-C 3.56Å; R23-E26 HydrophobicContact CB-CB 4.46Å; R23-E26 HydrophobicContact CB-CG 4.4Å; R23-E26 IonicContact NH1-OE1 3.81Å; R23-E26 CarbonylContact O-C 3.55Å; R23-E26 WeakPolarHBondContact O-CA 3.5Å; R23-E26 PolarHBondContact O-N 3.31Å; A24-E26 VanDerWaalsContact C-N 3.34Å; E26-K28 PolarHBondContact O-N 3.28Å
27	N	76.9	Confident	70.4	Confident	93 Å²	93	129.7 Å²	129.7	50%	0.497	67%	0.666	S	S	.	*			trans	-66.7	96.3	176.2	-174.8	13.4	0	0	0	109.6	C22 R23 A29	C22-N27 PolarHBondContact SG-N 2.89Å; C22-N27 VanDerWaalsContact SG-N 3.45Å; R23-N27 PolarHBondContact O-N 3.42Å; N27-A29 PolarHBondContact O-N 3Å
28	K	68.9	Low	68.9	Low	197 Å²	197	127 Å²	127	86%	0.857	65%	0.654	S	S	*	*			trans	-70.5	78.2	164	-65.1	-177.2	-177.5	-178.1	0	107.6	E26 D30	E26-K28 PolarHBondContact O-N 3.28Å; K28-D30 PolarHBondContact O-N 3.47Å
29	A	65.8	Low	67.4	Low	67 Å²	67	127.5 Å²	127.5	55%	0.554	65%	0.647	S	S	*	*			trans	-54	114.5	170.7	0	0	0	0	0	107.3	N27 P31	N27-A29 PolarHBondContact O-N 3Å; A29-P31 WeakPolarHBondContact O-CD 3.34Å; A29-P31 WeakPolarHBondContact O-CG 3.46Å
30	D	64.1	Low	66.1	Low	96 Å²	96	129.4 Å²	129.4	51%	0.513	65%	0.647	S	S	.	*			trans	-43	104.1	178.9	162.6	32.2	0	0	0	110.9	K28 I32 S33	K28-D30 PolarHBondContact O-N 3.47Å; D30-I32 VanDerWaalsContact OD1-C 3.29Å; D30-I32 WeakPolarHBondContact OD1-CA 3.42Å; D30-I32 WeakPolarHBondContact OD1-CB 3.46Å; D30-I32 PolarHBondContact OD1-N 3.26Å; D30-S33 PolarHBondContact OD1-N 3.23Å; D30-S33 WeakPolarHBondContact OD2-CB 3.38Å; D30-S33 PolarHBondContact OD2-N 3.4Å; D30-S33 PolarHBondContact OD2-OG 3.43Å
31	P	54.5	Low	64.7	Low	69 Å²	69	133 Å²	133	45%	0.448	65%	0.652	S	S	.	*			trans	-77.9	-17.4	170.4	-6	25.4	0	0	0	110.6	A29 R34 R35	A29-P31 WeakPolarHBondContact O-CD 3.34Å; A29-P31 WeakPolarHBondContact O-CG 3.46Å; P31-R34 CarbonylContact O-C 3.19Å; P31-R34 WeakPolarHBondContact O-CA 3.42Å; P31-R34 PolarHBondContact O-N 2.97Å; P31-R34 VanDerWaalsContact O-N 3.17Å; P31-R35 HydrophobicContact CB-CB 4.2Å; P31-R35 WeakPolarHBondContact O-CA 3.5Å; P31-R35 WeakPolarHBondContact O-CB 3.46Å; P31-R35 PolarHBondContact O-N 3.39Å
32	I	50.1	Low	63	Low	94 Å²	94	127.8 Å²	127.8	48%	0.482	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97	-14.5	-155.1	-67.7	170.6	0	0	0	114.6	D30 R34 R35 E37	D30-I32 VanDerWaalsContact OD1-C 3.29Å; D30-I32 WeakPolarHBondContact OD1-CA 3.42Å; D30-I32 WeakPolarHBondContact OD1-CB 3.46Å; D30-I32 PolarHBondContact OD1-N 3.26Å; I32-R34 PolarHBondContact O-N 2.7Å; I32-R34 VanDerWaalsContact O-N 3.09Å; I32-R35 WeakPolarHBondContact CA-O 3.49Å; I32-R35 VanDerWaalsContact CG1-O 3.31Å; I32-R35 WeakPolarHBondContact CG1-O 3.29Å; I32-E37 HydrophobicContact CD1-CG 4.2Å
33	S	55.1	Low	61.5	Low	91 Å²	91	127.9 Å²	127.9	64%	0.636	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-6.3	153.5	56.5	0	0	0	0	112	D30	D30-S33 PolarHBondContact OD1-N 3.23Å; D30-S33 WeakPolarHBondContact OD2-CB 3.38Å; D30-S33 PolarHBondContact OD2-N 3.4Å; D30-S33 PolarHBondContact OD2-OG 3.43Å
34	R	54.9	Low	59.9	Low	233 Å²	233	127.6 Å²	127.6	88%	0.879	64%	0.638	S	S	*	*	S	Bend	trans	-140.3	2.4	178.9	-60.6	-175.8	-174.2	-89.7	-4	116.2	P31 I32	P31-R34 CarbonylContact O-C 3.19Å; P31-R34 WeakPolarHBondContact O-CA 3.42Å; P31-R34 PolarHBondContact O-N 2.97Å; P31-R34 VanDerWaalsContact O-N 3.17Å; I32-R34 PolarHBondContact O-N 2.7Å; I32-R34 VanDerWaalsContact O-N 3.09Å
35	R	50.5	Low	58.8	Low	184 Å²	184	132 Å²	132	69%	0.694	64%	0.643	S	S	*	*			trans	-145.8	100.3	-176	-161.5	175.4	-171.3	177.7	0.2	109	P31 I32 E37	P31-R35 HydrophobicContact CB-CB 4.2Å; P31-R35 WeakPolarHBondContact O-CA 3.5Å; P31-R35 WeakPolarHBondContact O-CB 3.46Å; P31-R35 PolarHBondContact O-N 3.39Å; I32-R35 WeakPolarHBondContact CA-O 3.49Å; I32-R35 VanDerWaalsContact CG1-O 3.31Å; I32-R35 WeakPolarHBondContact CG1-O 3.29Å; R35-E37 PolarHBondContact O-N 2.88Å
36	L	53.6	Low	57.6	Low	136 Å²	136	128.7 Å²	128.7	71%	0.712	62%	0.624	S	S	*	*			trans	-62	125.2	165.2	-71.1	159	0	0	0	107.3	T38	L36-T38 HydrophobicContact CB-CG2 4.03Å; L36-T38 PolarHBondContact O-N 3.15Å
37	E	53.4	Low	56.4	Low	178 Å²	178	131.9 Å²	131.9	83%	0.832	63%	0.632	S	S	*	*			trans	-67.6	82.3	159.9	-69	-178.2	166.1	0	0	106.5	I32 R35	I32-E37 HydrophobicContact CD1-CG 4.2Å; R35-E37 PolarHBondContact O-N 2.88Å
38	T	52.5	Low	55.5	Low	37 Å²	37	132.9 Å²	132.9	23%	0.227	65%	0.646	C	S	.	*			trans	-92.2	133.2	168.1	39	0	0	0	0	108.4	L36 E42 V43	L36-T38 HydrophobicContact CB-CG2 4.03Å; L36-T38 PolarHBondContact O-N 3.15Å; T38-E42 HydrophobicContact CG2-CB 4.43Å; T38-E42 VanDerWaalsContact CG2-OE2 3.22Å; T38-E42 WeakPolarHBondContact CG2-OE2 3.42Å; T38-V43 WeakPolarHBondContact O-CG2 3.32Å; T38-V43 WeakPolarHBondContact OG1-CG2 3.12Å
39	D	54.9	Low	55.1	Low	132 Å²	132	133.2 Å²	133.2	71%	0.706	65%	0.647	S	S	*	*			trans	-43.2	141.2	172.9	-64.8	-48.1	0	0	0	110.8	E41 E42 V43	D39-E41 PolarHBondContact O-N 2.91Å; D39-E42 PolarHBondContact O-N 3.4Å; D39-V43 PolarHBondContact O-N 2.99Å
40	E	57.1	Low	54.6	Low	184 Å²	184	135.7 Å²	135.7	86%	0.86	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-21.8	-173	-66.1	-169.2	145.6	0	0	113.4
41	E	55.1	Low	54.4	Low	180 Å²	180	136.4 Å²	136.4	84%	0.841	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-32.3	175.1	-62.6	-171.9	161.1	0	0	113.9	D39	D39-E41 PolarHBondContact O-N 2.91Å
42	E	51.8	Low	54.8	Low	82 Å²	82	138.7 Å²	138.7	38%	0.383	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-21.8	175.6	-109.6	-162	156.2	0	0	112.7	T38 D39 Q44 E45 R46	T38-E42 HydrophobicContact CG2-CB 4.43Å; T38-E42 VanDerWaalsContact CG2-OE2 3.22Å; T38-E42 WeakPolarHBondContact CG2-OE2 3.42Å; D39-E42 PolarHBondContact O-N 3.4Å; E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 3.44Å; E42-E45 PolarHBondContact O-N 3.45Å; E42-R46 VanDerWaalsContact CD-NH1 3.25Å; E42-R46 PolarHBondContact O-N 3.41Å; E42-R46 IonicContact OE1-CZ 3.01Å; E42-R46 VanDerWaalsContact OE1-CZ 3.27Å; E42-R46 IonicContact OE1-NH1 3.59Å; E42-R46 PolarHBondContact OE1-NH1 2.92Å; E42-R46 IonicContact OE1-NH2 3.12Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å; E42-R46 IonicContact OE2-CZ 3.53Å; E42-R46 IonicContact OE2-NH1 3.69Å; E42-R46 PolarHBondContact OE2-NH1 3.3Å; E42-R46 IonicContact OE2-NH2 2.78Å
43	V	52	Low	55.5	Low	62 Å²	62	138.3 Å²	138.3	38%	0.376	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-26.5	-178.9	178	0	0	0	0	112	T38 D39 R47	T38-V43 WeakPolarHBondContact O-CG2 3.32Å; T38-V43 WeakPolarHBondContact OG1-CG2 3.12Å; D39-V43 PolarHBondContact O-N 2.99Å; V43-R47 PolarHBondContact O-N 3.27Å
44	Q	52	Low	56.3	Low	145 Å²	145	140.6 Å²	140.6	68%	0.678	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-33.6	-179.9	-151	82	-23.7	0	0	111.9	E42	E42-Q44 VanDerWaalsContact C-N 3.27Å; E42-Q44 PolarHBondContact O-N 3.44Å
45	E	53.7	Low	57.4	Low	184 Å²	184	131.4 Å²	131.4	86%	0.86	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-27.8	-177.3	-127.8	175.3	-169.3	0	0	113	E42	E42-E45 PolarHBondContact O-N 3.45Å
46	R	55	Low	58.6	Low	143 Å²	143	130.1 Å²	130.1	54%	0.54	66%	0.656	S	S	.	*			trans	-94.1	9	178.1	-72.6	-170.7	-178.8	131.1	14.9	115.4	E42 S48	E42-R46 VanDerWaalsContact CD-NH1 3.25Å; E42-R46 PolarHBondContact O-N 3.41Å; E42-R46 IonicContact OE1-CZ 3.01Å; E42-R46 VanDerWaalsContact OE1-CZ 3.27Å; E42-R46 IonicContact OE1-NH1 3.59Å; E42-R46 PolarHBondContact OE1-NH1 2.92Å; E42-R46 IonicContact OE1-NH2 3.12Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å; E42-R46 IonicContact OE2-CZ 3.53Å; E42-R46 IonicContact OE2-NH1 3.69Å; E42-R46 PolarHBondContact OE2-NH1 3.3Å; E42-R46 IonicContact OE2-NH2 2.78Å; R46-S48 PolarHBondContact O-N 3.44Å
47	R	53.2	Low	59.9	Low	183 Å²	183	125.2 Å²	125.2	69%	0.691	63%	0.632	S	S	*	*			trans	-58.9	101.5	167	-94.2	-177.2	175.6	-180	1.2	108.6	V43 K49	V43-R47 PolarHBondContact O-N 3.27Å; R47-K49 PolarHBondContact O-N 2.98Å
48	S	58.6	Low	61.6	Low	113 Å²	113	122.6 Å²	122.6	79%	0.79	63%	0.629	S	S	*	*			trans	-46.7	109.8	168	-66.3	0	0	0	0	107.8	R46 C50	R46-S48 PolarHBondContact O-N 3.44Å; S48-C50 PolarHBondContact O-N 2.54Å
49	K	60.4	Low	63.5	Low	205 Å²	205	122.5 Å²	122.5	89%	0.891	63%	0.627	S	S	*	*			trans	-63.6	86.7	179.8	-69	178.5	-178.3	175.1	0	107.9	R47 T51	R47-K49 PolarHBondContact O-N 2.98Å; K49-T51 PolarHBondContact O-N 3.06Å
50	C	53.4	Low	65.3	Low	118 Å²	118	119.7 Å²	119.7	80%	0.797	61%	0.614	S	S	*	*			trans	-73.5	112.6	172	-170	0	0	0	0	107.2	S48	S48-C50 PolarHBondContact O-N 2.54Å
51	T	60.5	Low	67	Low	112 Å²	112	115.1 Å²	115.1	69%	0.687	59%	0.593	S	S	*	*			trans	-91.1	111.6	174.5	-59.1	0	0	0	0	108.1	K49 T53	K49-T51 PolarHBondContact O-N 3.06Å; T51-T53 PolarHBondContact O-N 3.24Å; T51-T53 VanDerWaalsContact O-N 3.11Å
52	V	62.8	Low	69	Low	116 Å²	116	111.2 Å²	111.2	70%	0.703	58%	0.578	S	S	*	*			trans	-72.4	104	170.5	-179.9	0	0	0	0	107.5	M54	V52-M54 HydrophobicContact CG1-SD 4.26Å; V52-M54 PolarHBondContact O-N 2.87Å
53	T	65.6	Low	71.1	Confident	86 Å²	86	112.3 Å²	112.3	53%	0.528	58%	0.583	S	S	.	*			trans	-79.8	108.2	175	-56.7	0	0	0	0	108.7	T51 A152	T51-T53 PolarHBondContact O-N 3.24Å; T51-T53 VanDerWaalsContact O-N 3.11Å; T53-A152 HydrophobicContact CG2-CB 4.31Å; T53-A152 WeakPolarHBondContact O-CB 3.37Å
54	M	71.9	Confident	73.2	Confident	140 Å²	140	109.9 Å²	109.9	69%	0.69	57%	0.568	S	S	*	*			trans	-78	128.7	172.2	-68.9	-63.4	-73.3	0	0	109.7	V52 Q56	V52-M54 HydrophobicContact CG1-SD 4.26Å; V52-M54 PolarHBondContact O-N 2.87Å; M54-Q56 PolarHBondContact O-N 3.35Å
55	V	77.2	Confident	75.4	Confident	40 Å²	40	106.8 Å²	106.8	24%	0.242	55%	0.55	C	S	.	.			trans	-78.2	105.2	173.4	-178.8	0	0	0	0	108.2	L146 F147 A152	V55-L146 HydrophobicContact CG1-CD1 3.69Å; V55-L146 HydrophobicContact CG1-CD2 3.93Å; V55-L146 HydrophobicContact CG1-CG 3.38Å; V55-F147 HydrophobicContact CB-CZ 4.41Å; V55-F147 HydrophobicContact CG1-CD2 4.05Å; V55-F147 HydrophobicContact CG1-CE1 4.4Å; V55-F147 HydrophobicContact CG1-CE2 3.79Å; V55-F147 HydrophobicContact CG1-CG 4.45Å; V55-F147 HydrophobicContact CG1-CZ 3.98Å; V55-A152 HydrophobicContact CG2-CB 3.36Å
56	Q	76.2	Confident	77.5	Confident	157 Å²	157	101.8 Å²	101.8	73%	0.734	53%	0.532	S	S	*	.			trans	-113.4	136.6	173.6	-67.3	-177	-28	0	0	109.3	M54	M54-Q56 PolarHBondContact O-N 3.35Å
57	S	81.5	Confident	79.5	Confident	32 Å²	32	95.7 Å²	95.7	22%	0.224	51%	0.512	C	S	.	.			trans	-79.9	141.7	172.5	-177.7	0	0	0	0	109.1	I59 H142 W143	S57-I59 WeakPolarHBondContact OG-CB 3.3Å; S57-I59 WeakPolarHBondContact OG-CG1 3.35Å; S57-I59 PolarHBondContact OG-N 2.83Å; S57-H142 PolarHBondContact OG-NE2 3.31Å; S57-W143 VanDerWaalsContact CB-CH2 3.47Å; S57-W143 WeakPolarHBondContact OG-CZ2 3.43Å
58	T	88.1	Confident	81.6	Confident	123 Å²	123	87 Å²	87	76%	0.755	48%	0.479	S	S	*	.			trans	-79.3	-6.2	172.7	55.5	0	0	0	0	112.7	T60	T58-T60 PolarHBondContact O-N 2.93Å
59	I	91.6	Very high	83.4	Confident	36 Å²	36	85.9 Å²	85.9	19%	0.185	46%	0.464	C	S	.	.			trans	-75	120	-176.5	-59.5	171.7	0	0	0	109.1	S57 E63 L64 L139	S57-I59 WeakPolarHBondContact OG-CB 3.3Å; S57-I59 WeakPolarHBondContact OG-CG1 3.35Å; S57-I59 PolarHBondContact OG-N 2.83Å; I59-E63 WeakPolarHBondContact CA-OE2 3.44Å; I59-E63 HydrophobicContact CG2-CB 3.92Å; I59-L64 HydrophobicContact CG2-CB 4.21Å; I59-L139 HydrophobicContact CD1-CD1 4.03Å; I59-L139 HydrophobicContact CD1-CD2 3.82Å; I59-L139 HydrophobicContact CD1-CG 4.38Å; I59-L139 HydrophobicContact CG2-CD1 4.36Å
60	T	94.1	Very high	85.2	Confident	72 Å²	72	82.2 Å²	82.2	44%	0.442	45%	0.454	S	S	.	.			trans	-72.2	162.4	178.2	64.3	0	0	0	0	111.7	T58 D62 E63 L64	T58-T60 PolarHBondContact O-N 2.93Å; T60-D62 VanDerWaalsContact C-N 3.28Å; T60-D62 PolarHBondContact O-N 3.3Å; T60-E63 PolarHBondContact N-OE2 3.26Å; T60-E63 PolarHBondContact O-N 3.21Å; T60-E63 WeakPolarHBondContact OG1-CB 3.44Å; T60-E63 WeakPolarHBondContact OG1-CG 3.2Å; T60-E63 PolarHBondContact OG1-N 3.14Å; T60-E63 PolarHBondContact OG1-OE2 3.44Å; T60-L64 WeakPolarHBondContact O-CB 3.49Å; T60-L64 PolarHBondContact O-N 2.95Å
61	E	93.2	Very high	87.3	Confident	88 Å²	88	77.3 Å²	77.3	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-36.1	177.5	-169.5	170.6	168.9	0	0	112.2	L64 R65 N114 V116	E61-L64 PolarHBondContact O-N 2.93Å; E61-R65 WeakPolarHBondContact O-CB 3.46Å; E61-R65 PolarHBondContact O-N 2.97Å; E61-N114 VanDerWaalsContact OE1-CB 3.24Å; E61-N114 WeakPolarHBondContact OE1-CB 3.31Å; E61-N114 PolarHBondContact OE1-ND2 2.94Å; E61-V116 HydrophobicContact CG-CG2 3.83Å
62	D	95.4	Very high	88.8	Confident	99 Å²	99	77.9 Å²	77.9	53%	0.529	42%	0.423	S	S	.	.	H	α-helix	trans	-72.7	-37.7	177.9	-67.3	-40.4	0	0	0	112.7	T60 L64 R65 T66	T60-D62 VanDerWaalsContact C-N 3.28Å; T60-D62 PolarHBondContact O-N 3.3Å; D62-L64 VanDerWaalsContact C-N 3.34Å; D62-R65 PolarHBondContact O-N 3.21Å; D62-R65 IonicContact OD1-CZ 3.27Å; D62-R65 IonicContact OD1-NH2 3.78Å; D62-R65 PolarHBondContact OD1-NH2 3.36Å; D62-T66 WeakPolarHBondContact O-CB 3.26Å; D62-T66 PolarHBondContact O-N 2.87Å; D62-T66 PolarHBondContact O-OG1 3.11Å
63	E	96.3	Very high	90.3	Very high	105 Å²	105	74 Å²	74	49%	0.491	40%	0.398	S	S	.	.	H	α-helix	trans	-62.7	-43.5	171	-76	170.2	159.4	0	0	111	I59 T60 T66 A67	I59-E63 WeakPolarHBondContact CA-OE2 3.44Å; I59-E63 HydrophobicContact CG2-CB 3.92Å; T60-E63 PolarHBondContact N-OE2 3.26Å; T60-E63 PolarHBondContact O-N 3.21Å; T60-E63 WeakPolarHBondContact OG1-CB 3.44Å; T60-E63 WeakPolarHBondContact OG1-CG 3.2Å; T60-E63 PolarHBondContact OG1-N 3.14Å; T60-E63 PolarHBondContact OG1-OE2 3.44Å; E63-T66 PolarHBondContact O-N 3.08Å; E63-A67 VanDerWaalsContact O-CB 3.31Å; E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 3.06Å
64	L	96.7	Very high	91.7	Very high	10 Å²	10	69.9 Å²	69.9	5%	0.052	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.8	178.6	62.6	0	0	0	111.5	I59 T60 E61 D62 A67 Q68 V116 P133 K135 L139	I59-L64 HydrophobicContact CG2-CB 4.21Å; T60-L64 WeakPolarHBondContact O-CB 3.49Å; T60-L64 PolarHBondContact O-N 2.95Å; E61-L64 PolarHBondContact O-N 2.93Å; D62-L64 VanDerWaalsContact C-N 3.34Å; L64-A67 PolarHBondContact O-N 2.81Å; L64-Q68 HydrophobicContact CD1-CG 4.49Å; L64-Q68 WeakPolarHBondContact O-CG 3.49Å; L64-Q68 PolarHBondContact O-N 3.01Å; L64-V116 HydrophobicContact CD2-CG1 3.74Å; L64-V116 HydrophobicContact CG-CG1 4.1Å; L64-P133 HydrophobicContact CD2-CB 3.63Å; L64-P133 HydrophobicContact CD2-CG 4.33Å; L64-K135 HydrophobicContact CD1-CD 4.03Å; L64-L139 HydrophobicContact CD1-CD1 3.95Å
65	R	97.3	Very high	92.8	Very high	81 Å²	81	65 Å²	65	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-50.8	175.7	-170	-172.9	-52.5	169.1	16.4	111	E61 D62 A67 Q68 L69 N114 V116	E61-R65 WeakPolarHBondContact O-CB 3.46Å; E61-R65 PolarHBondContact O-N 2.97Å; D62-R65 PolarHBondContact O-N 3.21Å; D62-R65 IonicContact OD1-CZ 3.27Å; D62-R65 IonicContact OD1-NH2 3.78Å; D62-R65 PolarHBondContact OD1-NH2 3.36Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.05Å; R65-Q68 PolarHBondContact O-N 2.87Å; R65-Q68 VanDerWaalsContact O-N 3.15Å; R65-L69 HydrophobicContact CG-CD1 4.44Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 3.18Å; R65-N114 PolarHBondContact NE-O 2.82Å; R65-N114 PolarHBondContact NH2-O 3.37Å; R65-V116 HydrophobicContact CB-CG2 3.8Å; R65-V116 HydrophobicContact CG-CG2 4.28Å
66	T	97.7	Very high	93.6	Very high	78 Å²	78	66 Å²	66	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-56.7	-45.2	176.9	-57	0	0	0	0	111	D62 E63 Q68 L69 N70	D62-T66 WeakPolarHBondContact O-CB 3.26Å; D62-T66 PolarHBondContact O-N 2.87Å; D62-T66 PolarHBondContact O-OG1 3.11Å; E63-T66 PolarHBondContact O-N 3.08Å; T66-Q68 VanDerWaalsContact C-N 3.34Å; T66-Q68 PolarHBondContact O-N 2.78Å; T66-L69 PolarHBondContact O-N 2.74Å; T66-N70 WeakPolarHBondContact O-CB 3.34Å; T66-N70 VanDerWaalsContact O-CG 3.3Å; T66-N70 PolarHBondContact O-N 2.9Å; T66-N70 PolarHBondContact O-ND2 2.93Å
67	A	97.7	Very high	94.4	Very high	15 Å²	15	58.5 Å²	58.5	12%	0.124	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-34	178.9	0	0	0	0	0	113.1	E63 L64 R65 D71 P136 L139	E63-A67 VanDerWaalsContact O-CB 3.31Å; E63-A67 WeakPolarHBondContact O-CB 3.43Å; E63-A67 PolarHBondContact O-N 3.06Å; L64-A67 PolarHBondContact O-N 2.81Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.05Å; A67-D71 PolarHBondContact O-N 3.45Å; A67-P136 HydrophobicContact CB-CG 3.66Å; A67-P136 WeakPolarHBondContact O-CB 3.22Å; A67-L139 HydrophobicContact CB-CD1 3.79Å; A67-L139 HydrophobicContact CB-CG 4.32Å
68	Q	97.9	Very high	95	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-40.5	173.4	-74.1	-175.1	-19.8	0	0	112.4	L64 R65 T66 N70 D71 L74 S75 I78 V116 L117 V134	L64-Q68 HydrophobicContact CD1-CG 4.49Å; L64-Q68 WeakPolarHBondContact O-CG 3.49Å; L64-Q68 PolarHBondContact O-N 3.01Å; R65-Q68 PolarHBondContact O-N 2.87Å; R65-Q68 VanDerWaalsContact O-N 3.15Å; T66-Q68 VanDerWaalsContact C-N 3.34Å; T66-Q68 PolarHBondContact O-N 2.78Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 2.75Å; Q68-D71 PolarHBondContact O-N 3.1Å; Q68-L74 HydrophobicContact CB-CB 4.5Å; Q68-L74 HydrophobicContact CB-CD1 4.37Å; Q68-L74 HydrophobicContact CG-CD1 3.9Å; Q68-S75 PolarHBondContact O-N 2.85Å; Q68-I78 HydrophobicContact CB-CD1 3.9Å; Q68-V116 VanDerWaalsContact OE1-CA 3.31Å; Q68-L117 PolarHBondContact NE2-O 3.43Å; Q68-V134 PolarHBondContact NE2-O 3.42Å
69	L	96.9	Very high	95.2	Very high	91 Å²	91	56.6 Å²	56.6	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-30.4	177.4	-68.1	176.1	0	0	0	112.3	R65 T66 D71 S75 I78	R65-L69 HydrophobicContact CG-CD1 4.44Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 3.18Å; T66-L69 PolarHBondContact O-N 2.74Å; L69-D71 VanDerWaalsContact C-N 3.32Å; L69-S75 WeakPolarHBondContact O-CB 3.36Å; L69-I78 HydrophobicContact CD2-CD1 4.42Å; L69-I78 HydrophobicContact CD2-CG2 4.5Å
70	N	97.4	Very high	95.2	Very high	127 Å²	127	57 Å²	57	68%	0.679	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12	174.7	-69.2	-22.1	0	0	0	113.6	T66 Q68	T66-N70 WeakPolarHBondContact O-CB 3.34Å; T66-N70 VanDerWaalsContact O-CG 3.3Å; T66-N70 PolarHBondContact O-N 2.9Å; T66-N70 PolarHBondContact O-ND2 2.93Å; Q68-N70 VanDerWaalsContact C-N 3.28Å; Q68-N70 PolarHBondContact O-N 2.75Å
71	D	96.8	Very high	95	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.08	29%	0.288	C	S	.	.	S	Bend	trans	-85	122.6	176.3	-178.5	-58.6	0	0	0	109.9	A67 Q68 L69 I73 L74 S75 P136 E137	A67-D71 PolarHBondContact O-N 3.45Å; Q68-D71 PolarHBondContact O-N 3.1Å; L69-D71 VanDerWaalsContact C-N 3.32Å; D71-I73 PolarHBondContact O-N 2.86Å; D71-I73 WeakPolarHBondContact OD1-CB 3.43Å; D71-I73 PolarHBondContact OD1-N 3Å; D71-L74 HydrophobicContact CB-CB 4.05Å; D71-L74 HydrophobicContact CB-CD1 4.39Å; D71-L74 HydrophobicContact CB-CG 4.18Å; D71-L74 PolarHBondContact O-N 3.19Å; D71-L74 PolarHBondContact OD1-N 3.08Å; D71-S75 WeakPolarHBondContact O-CB 3.31Å; D71-S75 PolarHBondContact O-N 3.22Å; D71-S75 PolarHBondContact O-OG 3.3Å; D71-P136 HydrophobicContact CB-CB 3.8Å; D71-P136 WeakPolarHBondContact OD2-CA 3.32Å; D71-E137 PolarHBondContact OD2-N 3.39Å
72	V	93.3	Very high	95	Very high	125 Å²	125	57.5 Å²	57.5	76%	0.758	30%	0.297	S	S	*	.	H	α-helix	trans	-59.3	-34.1	-174.2	-179.5	0	0	0	0	112.4	S75	V72-S75 PolarHBondContact O-OG 3.4Å
73	I	93.6	Very high	94.7	Very high	34 Å²	34	57.5 Å²	57.5	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-82.1	-49.2	-177.8	-62	161.8	0	0	0	109.1	D71 K76 V77 P99 L100 Y103	D71-I73 PolarHBondContact O-N 2.86Å; D71-I73 WeakPolarHBondContact OD1-CB 3.43Å; D71-I73 PolarHBondContact OD1-N 3Å; I73-K76 PolarHBondContact O-N 2.94Å; I73-V77 WeakPolarHBondContact O-CG2 3.3Å; I73-V77 PolarHBondContact O-N 3.06Å; I73-V77 VanDerWaalsContact O-N 3.08Å; I73-P99 HydrophobicContact CD1-CB 3.56Å; I73-P99 HydrophobicContact CD1-CG 3.85Å; I73-P99 HydrophobicContact CG1-CB 4.25Å; I73-P99 HydrophobicContact CG2-CB 4.45Å; I73-L100 HydrophobicContact CB-CD2 4.49Å; I73-L100 HydrophobicContact CG2-CD2 3.65Å; I73-L100 HydrophobicContact CG2-CG 4.36Å; I73-Y103 HydrophobicContact CG2-CD2 3.94Å; I73-Y103 HydrophobicContact CG2-CE2 3.63Å
74	L	95.6	Very high	94.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-69.3	-37.9	-175.9	-60.7	-171.3	0	0	0	112.7	Q68 D71 K76 V77 I78 Y103 L117 V134 P136	Q68-L74 HydrophobicContact CB-CB 4.5Å; Q68-L74 HydrophobicContact CB-CD1 4.37Å; Q68-L74 HydrophobicContact CG-CD1 3.9Å; D71-L74 HydrophobicContact CB-CB 4.05Å; D71-L74 HydrophobicContact CB-CD1 4.39Å; D71-L74 HydrophobicContact CB-CG 4.18Å; D71-L74 PolarHBondContact O-N 3.19Å; D71-L74 PolarHBondContact OD1-N 3.08Å; L74-K76 VanDerWaalsContact C-N 3.34Å; L74-K76 PolarHBondContact O-N 2.95Å; L74-V77 PolarHBondContact O-N 3.25Å; L74-I78 WeakPolarHBondContact O-CB 3.33Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.17Å; L74-Y103 HydrophobicContact CD2-CE1 3.94Å; L74-Y103 HydrophobicContact CD2-CE2 4.15Å; L74-Y103 WeakPolarHBondContact CD2-OH 3.47Å; L74-L117 HydrophobicContact CD2-CD2 4.11Å; L74-V134 HydrophobicContact CD1-CG1 4.15Å; L74-V134 HydrophobicContact CD2-CG1 3.77Å; L74-P136 HydrophobicContact CD1-CB 3.9Å
75	S	95.2	Very high	93.3	Very high	38 Å²	38	59 Å²	59	27%	0.266	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-45.4	174.5	56.7	0	0	0	0	111.8	Q68 L69 D71 V72 I78 Q79	Q68-S75 PolarHBondContact O-N 2.85Å; L69-S75 WeakPolarHBondContact O-CB 3.36Å; D71-S75 WeakPolarHBondContact O-CB 3.31Å; D71-S75 PolarHBondContact O-N 3.22Å; D71-S75 PolarHBondContact O-OG 3.3Å; V72-S75 PolarHBondContact O-OG 3.4Å; S75-I78 PolarHBondContact O-N 3.22Å; S75-Q79 WeakPolarHBondContact O-CB 3.41Å; S75-Q79 PolarHBondContact O-N 3.2Å
76	K	92.4	Very high	92.3	Very high	59 Å²	59	56.3 Å²	56.3	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-42	174.2	-174.5	161.5	177.7	171.3	0	112.1	I73 L74 Q79 E80 E94 L100	I73-K76 PolarHBondContact O-N 2.94Å; L74-K76 VanDerWaalsContact C-N 3.34Å; L74-K76 PolarHBondContact O-N 2.95Å; K76-Q79 PolarHBondContact O-N 3.24Å; K76-E80 HydrophobicContact CG-CG 4.38Å; K76-E80 WeakPolarHBondContact O-CB 3.25Å; K76-E80 WeakPolarHBondContact O-CG 3.37Å; K76-E80 PolarHBondContact O-N 2.81Å; K76-E94 IonicContact NZ-OE2 2.77Å; K76-E94 PolarHBondContact NZ-OE2 3.24Å; K76-L100 HydrophobicContact CB-CD2 4.44Å; K76-L100 HydrophobicContact CD-CD1 3.86Å; K76-L100 HydrophobicContact CG-CD1 4.49Å
77	V	93.4	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-42.8	175.6	174.2	0	0	0	0	111.5	I73 L74 L81 L86 W95 L100 Y103 L110 L117	I73-V77 WeakPolarHBondContact O-CG2 3.3Å; I73-V77 PolarHBondContact O-N 3.06Å; I73-V77 VanDerWaalsContact O-N 3.08Å; L74-V77 PolarHBondContact O-N 3.25Å; V77-L81 VanDerWaalsContact O-CB 3.29Å; V77-L81 WeakPolarHBondContact O-CB 3.44Å; V77-L81 PolarHBondContact O-N 3.27Å; V77-L86 HydrophobicContact CG1-CD1 4.29Å; V77-W95 HydrophobicContact CG2-CH2 3.92Å; V77-W95 HydrophobicContact CG2-CZ3 4.36Å; V77-L100 HydrophobicContact CG2-CD2 3.77Å; V77-Y103 HydrophobicContact CG2-CD1 4.45Å; V77-Y103 HydrophobicContact CG2-CD2 4Å; V77-Y103 HydrophobicContact CG2-CG 3.83Å; V77-L110 HydrophobicContact CG1-CD1 4.13Å; V77-L117 HydrophobicContact CB-CD2 4.36Å; V77-L117 HydrophobicContact CG1-CD1 4.24Å; V77-L117 HydrophobicContact CG1-CD2 3.72Å
78	I	94.9	Very high	88.9	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-47.2	178.6	-71.6	165	0	0	0	110.5	Q68 L69 L74 S75 E80 L81 Q82 L112 L117	Q68-I78 HydrophobicContact CB-CD1 3.9Å; L69-I78 HydrophobicContact CD2-CD1 4.42Å; L69-I78 HydrophobicContact CD2-CG2 4.5Å; L74-I78 WeakPolarHBondContact O-CB 3.33Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.17Å; S75-I78 PolarHBondContact O-N 3.22Å; I78-E80 PolarHBondContact O-N 2.79Å; I78-L81 PolarHBondContact O-N 3.25Å; I78-Q82 HydrophobicContact CG2-CG 4.48Å; I78-Q82 WeakPolarHBondContact O-CG 3.43Å; I78-Q82 PolarHBondContact O-N 2.88Å; I78-L112 HydrophobicContact CG1-CD1 4.26Å; I78-L112 HydrophobicContact CG2-CD1 4.06Å; I78-L117 HydrophobicContact CD1-CB 4.17Å; I78-L117 HydrophobicContact CG1-CB 3.93Å
79	Q	93	Very high	87	Confident	112 Å²	112	59.8 Å²	59.8	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-59	-45.8	179	-174.3	-178.9	7.1	0	0	111.8	S75 K76 Q82 N83	S75-Q79 WeakPolarHBondContact O-CB 3.41Å; S75-Q79 PolarHBondContact O-N 3.2Å; K76-Q79 PolarHBondContact O-N 3.24Å; Q79-Q82 PolarHBondContact O-N 3.41Å; Q79-N83 WeakPolarHBondContact O-CB 3.4Å; Q79-N83 PolarHBondContact O-N 3.26Å; Q79-N83 PolarHBondContact O-ND2 3.09Å
80	E	90	Very high	84.9	Confident	45 Å²	45	60.4 Å²	60.4	21%	0.21	35%	0.351	C	S	.	.	H	α-helix	trans	-70.1	-32.7	-179.7	-65.3	-81.1	178.1	0	0	112.2	K76 I78 G84 T85 L86 W95	K76-E80 HydrophobicContact CG-CG 4.38Å; K76-E80 WeakPolarHBondContact O-CB 3.25Å; K76-E80 WeakPolarHBondContact O-CG 3.37Å; K76-E80 PolarHBondContact O-N 2.81Å; I78-E80 PolarHBondContact O-N 2.79Å; E80-G84 PolarHBondContact O-N 3.3Å; E80-T85 PolarHBondContact O-N 3.47Å; E80-T85 PolarHBondContact O-OG1 3.3Å; E80-T85 VanDerWaalsContact OE2-CB 3.32Å; E80-T85 WeakPolarHBondContact OE2-CB 3.22Å; E80-T85 PolarHBondContact OE2-OG1 2.88Å; E80-L86 HydrophobicContact CB-CD1 3.63Å; E80-L86 PolarHBondContact O-N 3.28Å; E80-L86 VanDerWaalsContact O-N 3.14Å; E80-W95 HydrophobicContact CB-CZ2 4.36Å; E80-W95 HydrophobicContact CG-CZ2 4.09Å
81	L	91.5	Very high	83	Confident	43 Å²	43	65.2 Å²	65.2	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-40	173.1	-174	70.1	0	0	0	111.4	V77 I78 G84 L86 L112 L117	V77-L81 VanDerWaalsContact O-CB 3.29Å; V77-L81 WeakPolarHBondContact O-CB 3.44Å; V77-L81 PolarHBondContact O-N 3.27Å; I78-L81 PolarHBondContact O-N 3.25Å; L81-G84 PolarHBondContact O-N 3.31Å; L81-L86 HydrophobicContact CB-CD1 4.43Å; L81-L86 HydrophobicContact CD1-CD2 3.91Å; L81-L112 HydrophobicContact CD2-CB 4.21Å; L81-L117 HydrophobicContact CD2-CD1 3.81Å
82	Q	91.8	Very high	81.5	Confident	127 Å²	127	66 Å²	66	59%	0.593	37%	0.368	S	S	*	.	H	α-helix	trans	-66.8	-37.5	176.1	-74.1	176.4	-42.7	0	0	112.6	I78 Q79 G84 L112	I78-Q82 HydrophobicContact CG2-CG 4.48Å; I78-Q82 WeakPolarHBondContact O-CG 3.43Å; I78-Q82 PolarHBondContact O-N 2.88Å; Q79-Q82 PolarHBondContact O-N 3.41Å; Q82-G84 PolarHBondContact O-N 3.13Å; Q82-L112 HydrophobicContact CG-CD2 3.98Å
83	N	88.9	Confident	80.3	Confident	100 Å²	100	66.2 Å²	66.2	54%	0.535	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-8	177.2	-68.2	-17.7	0	0	0	113.3	Q79 T85	Q79-N83 WeakPolarHBondContact O-CB 3.4Å; Q79-N83 PolarHBondContact O-N 3.26Å; Q79-N83 PolarHBondContact O-ND2 3.09Å; N83-T85 HydrophobicContact CB-CG2 4.04Å; N83-T85 WeakPolarHBondContact CB-OG1 3.42Å; N83-T85 PolarHBondContact O-N 3.09Å
84	G	84.8	Confident	79.4	Confident	71 Å²	71	70.6 Å²	70.6	73%	0.732	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	16.3	-172.8	0	0	0	0	0	113.4	E80 L81 Q82	E80-G84 PolarHBondContact O-N 3.3Å; L81-G84 PolarHBondContact O-N 3.31Å; Q82-G84 PolarHBondContact O-N 3.13Å
85	T	79.6	Confident	78.7	Confident	74 Å²	74	71 Å²	71	45%	0.454	39%	0.386	S	S	.	.			trans	-99.7	0.5	-175.3	49.7	0	0	0	0	113.1	E80 N83 P87	E80-T85 PolarHBondContact O-N 3.47Å; E80-T85 PolarHBondContact O-OG1 3.3Å; E80-T85 VanDerWaalsContact OE2-CB 3.32Å; E80-T85 WeakPolarHBondContact OE2-CB 3.22Å; E80-T85 PolarHBondContact OE2-OG1 2.88Å; N83-T85 HydrophobicContact CB-CG2 4.04Å; N83-T85 WeakPolarHBondContact CB-OG1 3.42Å; N83-T85 PolarHBondContact O-N 3.09Å; T85-P87 VanDerWaalsContact O-CD 3.3Å; T85-P87 WeakPolarHBondContact O-CD 3.2Å
86	L	76.5	Confident	77.7	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.136	40%	0.396	C	S	.	.			trans	-53	114.8	-178.5	-152.9	75.1	0	0	0	109.8	V77 E80 L81 S88 W95 A107 L110	V77-L86 HydrophobicContact CG1-CD1 4.29Å; E80-L86 HydrophobicContact CB-CD1 3.63Å; E80-L86 PolarHBondContact O-N 3.28Å; E80-L86 VanDerWaalsContact O-N 3.14Å; L81-L86 HydrophobicContact CB-CD1 4.43Å; L81-L86 HydrophobicContact CD1-CD2 3.91Å; L86-S88 PolarHBondContact O-N 2.91Å; L86-W95 HydrophobicContact CD1-CH2 3.68Å; L86-W95 HydrophobicContact CD1-CZ2 4.28Å; L86-W95 HydrophobicContact CD1-CZ3 4.49Å; L86-A107 HydrophobicContact CD2-CB 3.7Å; L86-A107 HydrophobicContact CG-CB 4.31Å; L86-L110 HydrophobicContact CD2-CD1 4.25Å
87	P	63.8	Low	76.7	Confident	12 Å²	12	81.3 Å²	81.3	8%	0.078	43%	0.426	C	S	.	.			trans	-70.9	111.5	-170	23.7	-30.1	0	0	0	108.9	T85 T89 R91 A92 W95 A104	T85-P87 VanDerWaalsContact O-CD 3.3Å; T85-P87 WeakPolarHBondContact O-CD 3.2Å; P87-T89 PolarHBondContact O-N 3.48Å; P87-R91 HydrophobicContact CB-CB 4.45Å; P87-A92 HydrophobicContact CG-CB 4.48Å; P87-W95 HydrophobicContact CG-CD2 3.89Å; P87-W95 HydrophobicContact CG-CE3 4.24Å; P87-W95 HydrophobicContact CG-CG 4.19Å; P87-W95 HydrophobicContact CG-CZ2 4.41Å; P87-A104 HydrophobicContact CG-CB 4.37Å
88	S	60.1	Low	76.1	Confident	81 Å²	81	83.9 Å²	83.9	57%	0.566	44%	0.442	S	S	*	.			trans	-46	118.6	148.3	164.5	0	0	0	0	106	L86 T90	L86-S88 PolarHBondContact O-N 2.91Å; S88-T90 PolarHBondContact O-N 3.29Å; S88-T90 PolarHBondContact O-OG1 3.03Å
89	T	57.3	Low	75.5	Confident	72 Å²	72	87.5 Å²	87.5	44%	0.442	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-9.7	-12.7	-169.2	-52.6	0	0	0	0	121.4	P87 Q105	P87-T89 PolarHBondContact O-N 3.48Å; T89-Q105 HydrophobicContact CG2-CG 3.99Å
90	T	53.9	Low	75.2	Confident	104 Å²	104	82.7 Å²	82.7	64%	0.638	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-20.2	-163.5	24.9	0	0	0	0	117	S88	S88-T90 PolarHBondContact O-N 3.29Å; S88-T90 PolarHBondContact O-OG1 3.03Å
91	R	57.5	Low	75.2	Confident	229 Å²	229	82.9 Å²	82.9	86%	0.864	45%	0.445	S	S	*	.	S	Bend	trans	-94.3	-30	-161.9	-73.9	-179	101.6	169.4	3.9	119.4	P87	P87-R91 HydrophobicContact CB-CB 4.45Å
92	A	63.5	Low	75.1	Confident	31 Å²	31	87.4 Å²	87.4	26%	0.256	46%	0.459	S	S	.	.			trans	-111.6	117.2	-171.3	0	0	0	0	0	113.5	P87 E94 W95	P87-A92 HydrophobicContact CG-CB 4.48Å; A92-E94 PolarHBondContact O-N 3.43Å; A92-W95 HydrophobicContact CB-CB 4.48Å; A92-W95 HydrophobicContact CB-CG 4.21Å; A92-W95 PolarHBondContact O-N 3.12Å; A92-W95 VanDerWaalsContact O-N 3.13Å
93	N	68.1	Low	75.1	Confident	130 Å²	130	81.4 Å²	81.4	70%	0.695	43%	0.432	S	S	*	.	H	α-helix	trans	-58.9	-30.9	175.3	-81.5	-18.8	0	0	0	112.9	W95 K96	N93-W95 PolarHBondContact O-N 3.49Å; N93-K96 PolarHBondContact O-N 3.1Å
94	E	75.5	Confident	75.1	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	41%	0.408	S	S	*	.	H	α-helix	trans	-59.7	-33.3	176.3	-62.4	-173.2	173.1	0	0	113.2	K76 A92 T98	K76-E94 IonicContact NZ-OE2 2.77Å; K76-E94 PolarHBondContact NZ-OE2 3.24Å; A92-E94 PolarHBondContact O-N 3.43Å; E94-T98 WeakPolarHBondContact O-CG2 3.25Å; E94-T98 PolarHBondContact O-OG1 3.39Å
95	W	81.9	Confident	75.3	Confident	8 Å²	8	77.3 Å²	77.3	3%	0.03	39%	0.391	C	S	.	.	H	α-helix	trans	-79.8	-28.5	-177.1	-73.5	61	0	0	0	112	V77 E80 L86 P87 A92 N93 K97 T98 L100 L101 A104	V77-W95 HydrophobicContact CG2-CH2 3.92Å; V77-W95 HydrophobicContact CG2-CZ3 4.36Å; E80-W95 HydrophobicContact CB-CZ2 4.36Å; E80-W95 HydrophobicContact CG-CZ2 4.09Å; L86-W95 HydrophobicContact CD1-CH2 3.68Å; L86-W95 HydrophobicContact CD1-CZ2 4.28Å; L86-W95 HydrophobicContact CD1-CZ3 4.49Å; P87-W95 HydrophobicContact CG-CD2 3.89Å; P87-W95 HydrophobicContact CG-CE3 4.24Å; P87-W95 HydrophobicContact CG-CG 4.19Å; P87-W95 HydrophobicContact CG-CZ2 4.41Å; A92-W95 HydrophobicContact CB-CB 4.48Å; A92-W95 HydrophobicContact CB-CG 4.21Å; A92-W95 PolarHBondContact O-N 3.12Å; A92-W95 VanDerWaalsContact O-N 3.13Å; N93-W95 PolarHBondContact O-N 3.49Å; W95-K97 VanDerWaalsContact C-N 3.26Å; W95-K97 PolarHBondContact O-N 3.17Å; W95-T98 WeakPolarHBondContact CA-OG1 3.39Å; W95-T98 PolarHBondContact O-N 3.32Å; W95-T98 PolarHBondContact O-OG1 2.7Å; W95-L100 HydrophobicContact CB-CB 4.44Å; W95-L100 HydrophobicContact CD2-CB 3.64Å; W95-L100 HydrophobicContact CD2-CD1 4.36Å; W95-L100 HydrophobicContact CE3-CB 3.45Å; W95-L100 VanDerWaalsContact CE3-CB 3.45Å; W95-L100 HydrophobicContact CG-CB 4.11Å; W95-L100 HydrophobicContact CH2-CB 4.43Å; W95-L100 HydrophobicContact CH2-CD2 4.27Å; W95-L100 HydrophobicContact CZ2-CD2 4.44Å; W95-L100 HydrophobicContact CZ3-CB 3.87Å; W95-L100 HydrophobicContact CZ3-CD2 4.41Å; W95-L100 VanDerWaalsContact CZ3-O 3.31Å; W95-L100 WeakPolarHBondContact CZ3-O 3.46Å; W95-L101 WeakPolarHBondContact O-CA 3.07Å; W95-L101 VanDerWaalsContact O-CB 3.25Å; W95-L101 WeakPolarHBondContact O-CB 3.45Å; W95-L101 PolarHBondContact O-N 3.33Å; W95-A104 HydrophobicContact CD2-CB 4.4Å; W95-A104 HydrophobicContact CE3-CB 3.46Å; W95-A104 VanDerWaalsContact CE3-CB 3.46Å; W95-A104 HydrophobicContact CZ3-CB 3.88Å
96	K	73.9	Confident	75.9	Confident	108 Å²	108	75.1 Å²	75.1	47%	0.47	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-23.7	-172.3	-69.3	-179.7	-178	169.1	0	114.5	N93	N93-K96 PolarHBondContact O-N 3.1Å
97	K	71.7	Confident	76.5	Confident	205 Å²	205	74.5 Å²	74.5	89%	0.891	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	9.6	-177.4	-67.4	-173.5	179.5	-177.8	0	113.9	W95	W95-K97 VanDerWaalsContact C-N 3.26Å; W95-K97 PolarHBondContact O-N 3.17Å
98	T	79.8	Confident	77.8	Confident	54 Å²	54	81.7 Å²	81.7	33%	0.331	41%	0.413	S	S	.	.	S	Bend	trans	-118.9	163.7	-175.2	52.7	0	0	0	0	110.7	E94 W95 L100 L101	E94-T98 WeakPolarHBondContact O-CG2 3.25Å; E94-T98 PolarHBondContact O-OG1 3.39Å; W95-T98 WeakPolarHBondContact CA-OG1 3.39Å; W95-T98 PolarHBondContact O-N 3.32Å; W95-T98 PolarHBondContact O-OG1 2.7Å; T98-L100 PolarHBondContact O-N 3.2Å; T98-L100 WeakPolarHBondContact OG1-CB 3.38Å; T98-L101 PolarHBondContact O-N 2.58Å
99	P	81.8	Confident	79.4	Confident	79 Å²	79	79 Å²	79	51%	0.513	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-18	171	-27.4	36.5	0	0	0	113.8	I73 L101	I73-P99 HydrophobicContact CD1-CB 3.56Å; I73-P99 HydrophobicContact CD1-CG 3.85Å; I73-P99 HydrophobicContact CG1-CB 4.25Å; I73-P99 HydrophobicContact CG2-CB 4.45Å; P99-L101 VanDerWaalsContact C-N 3.29Å; P99-L101 PolarHBondContact O-N 3.09Å
100	L	88.1	Confident	81.2	Confident	11 Å²	11	76.2 Å²	76.2	6%	0.058	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.1	175.9	-60.9	167.2	0	0	0	113.2	I73 K76 V77 W95 T98 R102 Y103 A104	I73-L100 HydrophobicContact CB-CD2 4.49Å; I73-L100 HydrophobicContact CG2-CD2 3.65Å; I73-L100 HydrophobicContact CG2-CG 4.36Å; K76-L100 HydrophobicContact CB-CD2 4.44Å; K76-L100 HydrophobicContact CD-CD1 3.86Å; K76-L100 HydrophobicContact CG-CD1 4.49Å; V77-L100 HydrophobicContact CG2-CD2 3.77Å; W95-L100 HydrophobicContact CB-CB 4.44Å; W95-L100 HydrophobicContact CD2-CB 3.64Å; W95-L100 HydrophobicContact CD2-CD1 4.36Å; W95-L100 HydrophobicContact CE3-CB 3.45Å; W95-L100 VanDerWaalsContact CE3-CB 3.45Å; W95-L100 HydrophobicContact CG-CB 4.11Å; W95-L100 HydrophobicContact CH2-CB 4.43Å; W95-L100 HydrophobicContact CH2-CD2 4.27Å; W95-L100 HydrophobicContact CZ2-CD2 4.44Å; W95-L100 HydrophobicContact CZ3-CB 3.87Å; W95-L100 HydrophobicContact CZ3-CD2 4.41Å; W95-L100 VanDerWaalsContact CZ3-O 3.31Å; W95-L100 WeakPolarHBondContact CZ3-O 3.46Å; T98-L100 PolarHBondContact O-N 3.2Å; T98-L100 WeakPolarHBondContact OG1-CB 3.38Å; L100-R102 PolarHBondContact O-N 2.85Å; L100-R102 VanDerWaalsContact O-N 3.09Å; L100-Y103 WeakPolarHBondContact O-CA 3.42Å; L100-Y103 WeakPolarHBondContact O-CB 3.2Å; L100-Y103 PolarHBondContact O-N 3.36Å; L100-A104 PolarHBondContact O-N 2.67Å; L100-A104 VanDerWaalsContact O-N 3.09Å
101	L	88.5	Confident	83.2	Confident	49 Å²	49	72.4 Å²	72.4	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-49.9	-43	-177.8	-178.8	55.9	0	0	0	112.7	W95 T98 P99 Y103 A104 Q105	W95-L101 WeakPolarHBondContact O-CA 3.07Å; W95-L101 VanDerWaalsContact O-CB 3.25Å; W95-L101 WeakPolarHBondContact O-CB 3.45Å; W95-L101 PolarHBondContact O-N 3.33Å; T98-L101 PolarHBondContact O-N 2.58Å; P99-L101 VanDerWaalsContact C-N 3.29Å; P99-L101 PolarHBondContact O-N 3.09Å; L101-Y103 VanDerWaalsContact C-N 3.31Å; L101-Y103 PolarHBondContact O-N 3.36Å; L101-A104 PolarHBondContact O-N 3.46Å; L101-Q105 HydrophobicContact CD1-CG 4.47Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 2.91Å; L101-Q105 VanDerWaalsContact O-N 3.1Å
102	R	90.1	Very high	85.1	Confident	138 Å²	138	64.2 Å²	64.2	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-31.5	-178.9	-70.5	-45.9	-162.6	-163	1.3	112.6	L100 I106 V172	L100-R102 PolarHBondContact O-N 2.85Å; L100-R102 VanDerWaalsContact O-N 3.09Å; R102-I106 WeakPolarHBondContact O-CG1 2.92Å; R102-I106 PolarHBondContact O-N 3.48Å; R102-V172 HydrophobicContact CB-CB 4.41Å; R102-V172 HydrophobicContact CB-CG1 3.79Å; R102-V172 HydrophobicContact CB-CG2 3.66Å; R102-V172 HydrophobicContact CG-CG1 3.83Å
103	Y	92.1	Very high	86.6	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-70.4	-38.3	174.1	-68.2	-73.3	0	0	0	111.8	I73 L74 V77 L100 L101 Q105 I106 A107 L110 V134 Y170 V172	I73-Y103 HydrophobicContact CG2-CD2 3.94Å; I73-Y103 HydrophobicContact CG2-CE2 3.63Å; L74-Y103 HydrophobicContact CD2-CE1 3.94Å; L74-Y103 HydrophobicContact CD2-CE2 4.15Å; L74-Y103 WeakPolarHBondContact CD2-OH 3.47Å; V77-Y103 HydrophobicContact CG2-CD1 4.45Å; V77-Y103 HydrophobicContact CG2-CD2 4Å; V77-Y103 HydrophobicContact CG2-CG 3.83Å; L100-Y103 WeakPolarHBondContact O-CA 3.42Å; L100-Y103 WeakPolarHBondContact O-CB 3.2Å; L100-Y103 PolarHBondContact O-N 3.36Å; L101-Y103 VanDerWaalsContact C-N 3.31Å; L101-Y103 PolarHBondContact O-N 3.36Å; Y103-Q105 PolarHBondContact O-N 3.07Å; Y103-I106 HydrophobicContact CD1-CD1 4.33Å; Y103-I106 CarbonylContact O-C 3.54Å; Y103-I106 WeakPolarHBondContact O-CG1 3.47Å; Y103-I106 PolarHBondContact O-N 3.33Å; Y103-A107 PolarHBondContact O-N 3.49Å; Y103-A107 VanDerWaalsContact O-N 3.12Å; Y103-L110 HydrophobicContact CD1-CD1 4.15Å; Y103-V134 HydrophobicContact CE1-CG1 3.89Å; Y103-Y170 HydrophobicContact CE1-CE1 4.42Å; Y103-V172 HydrophobicContact CD1-CG2 4.29Å; Y103-V172 HydrophobicContact CD2-CG2 3.93Å; Y103-V172 HydrophobicContact CE1-CG2 3.86Å; Y103-V172 HydrophobicContact CE2-CB 4.3Å; Y103-V172 HydrophobicContact CE2-CG2 3.45Å; Y103-V172 VanDerWaalsContact CE2-CG2 3.45Å; Y103-V172 HydrophobicContact CG-CG2 4.33Å; Y103-V172 VanDerWaalsContact CZ-CG2 3.41Å
104	A	88.9	Confident	87.8	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-40.8	173.5	0	0	0	0	0	112.6	P87 W95 L100 L101 I106 A107	P87-A104 HydrophobicContact CG-CB 4.37Å; W95-A104 HydrophobicContact CD2-CB 4.4Å; W95-A104 HydrophobicContact CE3-CB 3.46Å; W95-A104 VanDerWaalsContact CE3-CB 3.46Å; W95-A104 HydrophobicContact CZ3-CB 3.88Å; L100-A104 PolarHBondContact O-N 2.67Å; L100-A104 VanDerWaalsContact O-N 3.09Å; L101-A104 PolarHBondContact O-N 3.46Å; A104-I106 PolarHBondContact O-N 2.83Å; A104-A107 WeakPolarHBondContact O-CB 3.39Å; A104-A107 PolarHBondContact O-N 3.38Å
105	Q	88.7	Confident	88.7	Confident	81 Å²	81	58.5 Å²	58.5	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-20.4	179.5	-74	171.5	-16.6	0	0	114.1	T89 L101 Y103	T89-Q105 HydrophobicContact CG2-CG 3.99Å; L101-Q105 HydrophobicContact CD1-CG 4.47Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 2.91Å; L101-Q105 VanDerWaalsContact O-N 3.1Å; Y103-Q105 PolarHBondContact O-N 3.07Å
106	I	91.4	Very high	89.4	Confident	27 Å²	27	58.2 Å²	58.2	14%	0.138	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.6	177.9	70.1	-179.6	0	0	0	111.6	R102 Y103 A104 D108 S109 L110 Y170	R102-I106 WeakPolarHBondContact O-CG1 2.92Å; R102-I106 PolarHBondContact O-N 3.48Å; Y103-I106 HydrophobicContact CD1-CD1 4.33Å; Y103-I106 CarbonylContact O-C 3.54Å; Y103-I106 WeakPolarHBondContact O-CG1 3.47Å; Y103-I106 PolarHBondContact O-N 3.33Å; A104-I106 PolarHBondContact O-N 2.83Å; I106-D108 VanDerWaalsContact C-N 3.25Å; I106-D108 PolarHBondContact O-N 3.42Å; I106-S109 WeakPolarHBondContact O-CA 3.26Å; I106-S109 WeakPolarHBondContact O-CB 3.02Å; I106-S109 PolarHBondContact O-N 2.99Å; I106-S109 PolarHBondContact O-OG 3.38Å; I106-L110 HydrophobicContact CD1-CD2 4.11Å; I106-L110 HydrophobicContact CG1-CD1 4.09Å; I106-L110 HydrophobicContact CG1-CD2 4.25Å; I106-L110 HydrophobicContact CG1-CG 4.1Å; I106-L110 PolarHBondContact O-N 3.03Å; I106-Y170 HydrophobicContact CD1-CE1 3.57Å; I106-Y170 WeakPolarHBondContact CD1-OH 3.46Å
107	A	90.8	Very high	90.6	Very high	13 Å²	13	53 Å²	53	11%	0.107	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-50.5	-44.2	-173.2	0	0	0	0	0	112.5	L86 Y103 A104 S109 L110	L86-A107 HydrophobicContact CD2-CB 3.7Å; L86-A107 HydrophobicContact CG-CB 4.31Å; Y103-A107 PolarHBondContact O-N 3.49Å; Y103-A107 VanDerWaalsContact O-N 3.12Å; A104-A107 WeakPolarHBondContact O-CB 3.39Å; A104-A107 PolarHBondContact O-N 3.38Å; A107-S109 PolarHBondContact O-N 2.93Å; A107-S109 VanDerWaalsContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 3.43Å
108	D	91	Very high	91.8	Very high	164 Å²	164	44.5 Å²	44.5	88%	0.877	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-62.8	-19.9	179.7	-57.1	-23.8	0	0	0	113.5	I106	I106-D108 VanDerWaalsContact C-N 3.25Å; I106-D108 PolarHBondContact O-N 3.42Å
109	S	93.8	Very high	92.6	Very high	24 Å²	24	44.9 Å²	44.9	17%	0.168	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-95.6	-2.9	175.9	73.5	0	0	0	0	113.4	I106 A107 R119 T120	I106-S109 WeakPolarHBondContact O-CA 3.26Å; I106-S109 WeakPolarHBondContact O-CB 3.02Å; I106-S109 PolarHBondContact O-N 2.99Å; I106-S109 PolarHBondContact O-OG 3.38Å; A107-S109 PolarHBondContact O-N 2.93Å; A107-S109 VanDerWaalsContact O-N 3.1Å; S109-R119 CarbonylContact O-C 3.59Å; S109-R119 WeakPolarHBondContact O-CA 3.48Å; S109-R119 PolarHBondContact OG-NE 3.24Å; S109-T120 PolarHBondContact O-N 3.11Å
110	L	95.3	Very high	93.3	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	139.2	-178.7	-62.7	177.4	0	0	0	110.9	V77 L86 Y103 I106 A107 L117 H118 R119 V134	V77-L110 HydrophobicContact CG1-CD1 4.13Å; L86-L110 HydrophobicContact CD2-CD1 4.25Å; Y103-L110 HydrophobicContact CD1-CD1 4.15Å; I106-L110 HydrophobicContact CD1-CD2 4.11Å; I106-L110 HydrophobicContact CG1-CD1 4.09Å; I106-L110 HydrophobicContact CG1-CD2 4.25Å; I106-L110 HydrophobicContact CG1-CG 4.1Å; I106-L110 PolarHBondContact O-N 3.03Å; A107-L110 PolarHBondContact O-N 3.43Å; L110-L117 HydrophobicContact CB-CD1 4.29Å; L110-H118 WeakPolarHBondContact CA-O 3.44Å; L110-R119 HydrophobicContact CD2-CB 4.07Å; L110-R119 HydrophobicContact CD2-CG 4.25Å; L110-V134 HydrophobicContact CD2-CG2 4.41Å
111	S	95.8	Very high	93.6	Very high	25 Å²	25	44 Å²	44	18%	0.175	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.3	173.5	62.2	0	0	0	0	111.2	H118 K131	S111-H118 PolarHBondContact N-O 2.96Å; S111-H118 PolarHBondContact O-N 3.22Å; S111-K131 WeakPolarHBondContact OG-CE 3.36Å; S111-K131 PolarHBondContact OG-NZ 2.87Å
112	L	96.1	Very high	93.8	Very high	56 Å²	56	49 Å²	49	29%	0.293	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.7	174.1	-156.9	71.8	0	0	0	109.3	I78 L81 Q82	I78-L112 HydrophobicContact CG1-CD1 4.26Å; I78-L112 HydrophobicContact CG2-CD1 4.06Å; L81-L112 HydrophobicContact CD2-CB 4.21Å; Q82-L112 HydrophobicContact CG-CD2 3.98Å
113	C	94.9	Very high	93.7	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.196	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.6	173.3	-54.7	0	0	0	0	107.4	G115 V116 K131	C113-G115 PolarHBondContact O-N 3.2Å; C113-G115 VanDerWaalsContact O-N 3.15Å; C113-V116 PolarHBondContact N-O 2.76Å; C113-V116 WeakPolarHBondContact O-CA 3.4Å; C113-V116 WeakPolarHBondContact O-CB 3.11Å; C113-V116 PolarHBondContact O-N 3.17Å; C113-K131 WeakPolarHBondContact SG-CD 3.48Å; C113-K131 PolarHBondContact SG-NZ 3.05Å
114	N	93.6	Very high	93.5	Very high	116 Å²	116	50.5 Å²	50.5	62%	0.62	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	45.1	-174.6	-49.9	-38.7	0	0	0	113.2	E61 R65 V116	E61-N114 VanDerWaalsContact OE1-CB 3.24Å; E61-N114 WeakPolarHBondContact OE1-CB 3.31Å; E61-N114 PolarHBondContact OE1-ND2 2.94Å; R65-N114 PolarHBondContact NE-O 2.82Å; R65-N114 PolarHBondContact NH2-O 3.37Å; N114-V116 PolarHBondContact O-N 2.65Å
115	G	94.5	Very high	93.5	Very high	23 Å²	23	54.8 Å²	54.8	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-3.4	-178.5	0	0	0	0	0	116	C113	C113-G115 PolarHBondContact O-N 3.2Å; C113-G115 VanDerWaalsContact O-N 3.15Å
116	V	97.2	Very high	93.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.7	176.9	179.5	0	0	0	0	110.5	E61 L64 R65 Q68 C113 N114 H118 P133	E61-V116 HydrophobicContact CG-CG2 3.83Å; L64-V116 HydrophobicContact CD2-CG1 3.74Å; L64-V116 HydrophobicContact CG-CG1 4.1Å; R65-V116 HydrophobicContact CB-CG2 3.8Å; R65-V116 HydrophobicContact CG-CG2 4.28Å; Q68-V116 VanDerWaalsContact OE1-CA 3.31Å; C113-V116 PolarHBondContact N-O 2.76Å; C113-V116 WeakPolarHBondContact O-CA 3.4Å; C113-V116 WeakPolarHBondContact O-CB 3.11Å; C113-V116 PolarHBondContact O-N 3.17Å; N114-V116 PolarHBondContact O-N 2.65Å; V116-H118 VanDerWaalsContact CG1-CE1 3.5Å; V116-H118 WeakPolarHBondContact CG1-CE1 3.3Å; V116-H118 PolarHBondContact O-N 3.05Å; V116-H118 PolarHBondContact O-ND1 3.41Å; V116-P133 HydrophobicContact CG1-CB 4.36Å
117	L	97.7	Very high	93.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.4	174.2	-174.6	68.3	0	0	0	110.2	Q68 L74 V77 I78 L81 L110 V134	Q68-L117 PolarHBondContact NE2-O 3.43Å; L74-L117 HydrophobicContact CD2-CD2 4.11Å; V77-L117 HydrophobicContact CB-CD2 4.36Å; V77-L117 HydrophobicContact CG1-CD1 4.24Å; V77-L117 HydrophobicContact CG1-CD2 3.72Å; I78-L117 HydrophobicContact CD1-CB 4.17Å; I78-L117 HydrophobicContact CG1-CB 3.93Å; L81-L117 HydrophobicContact CD2-CD1 3.81Å; L110-L117 HydrophobicContact CB-CD1 4.29Å; L117-V134 HydrophobicContact CB-CB 4.44Å; L117-V134 HydrophobicContact CB-CG2 4.44Å; L117-V134 HydrophobicContact CD2-CB 4.08Å; L117-V134 HydrophobicContact CD2-CG1 4.28Å; L117-V134 HydrophobicContact CD2-CG2 3.95Å; L117-V134 HydrophobicContact CG-CB 4.22Å; L117-V134 HydrophobicContact CG-CG2 3.83Å; L117-V134 PolarHBondContact O-N 2.84Å
118	H	97.8	Very high	93.4	Very high	26 Å²	26	64.9 Å²	64.9	12%	0.12	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152	176.6	-74.5	75.1	0	0	0	111	L110 S111 V116 K131 V132	L110-H118 WeakPolarHBondContact CA-O 3.44Å; S111-H118 PolarHBondContact N-O 2.96Å; S111-H118 PolarHBondContact O-N 3.22Å; V116-H118 VanDerWaalsContact CG1-CE1 3.5Å; V116-H118 WeakPolarHBondContact CG1-CE1 3.3Å; V116-H118 PolarHBondContact O-N 3.05Å; V116-H118 PolarHBondContact O-ND1 3.41Å; H118-K131 HydrophobicContact CB-CB 4.12Å; H118-K131 HydrophobicContact CB-CD 4.38Å; H118-V132 CarbonylContact C-O 3.46Å; H118-V132 VanDerWaalsContact CA-O 3.3Å; H118-V132 WeakPolarHBondContact CA-O 3.46Å; H118-V132 VanDerWaalsContact CD2-C 3.47Å
119	R	96.4	Very high	93.5	Very high	62 Å²	62	59.9 Å²	59.9	23%	0.234	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.3	167.5	-172.4	179.9	-176.6	-157.2	-3.4	109.7	S109 L110 I121 K131 V132 V134 Y170	S109-R119 CarbonylContact O-C 3.59Å; S109-R119 WeakPolarHBondContact O-CA 3.48Å; S109-R119 PolarHBondContact OG-NE 3.24Å; L110-R119 HydrophobicContact CD2-CB 4.07Å; L110-R119 HydrophobicContact CD2-CG 4.25Å; R119-I121 HydrophobicContact CG-CG2 4.02Å; R119-K131 WeakPolarHBondContact O-CA 3.33Å; R119-V132 HydrophobicContact CB-CG2 4.42Å; R119-V132 PolarHBondContact N-O 3.43Å; R119-V132 PolarHBondContact O-N 2.81Å; R119-V134 HydrophobicContact CB-CG2 4.35Å; R119-Y170 HydrophobicContact CB-CD1 4.1Å; R119-Y170 HydrophobicContact CB-CG 4.34Å; R119-Y170 HydrophobicContact CG-CD1 4.45Å; R119-Y170 VanDerWaalsContact NH1-CZ 3.31Å
120	T	96.6	Very high	93.4	Very high	51 Å²	51	62.3 Å²	62.3	31%	0.313	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123.1	167.7	-56.9	0	0	0	0	108.9	S109 A129 W130	S109-T120 PolarHBondContact O-N 3.11Å; T120-A129 HydrophobicContact CG2-CB 3.7Å; T120-W130 WeakPolarHBondContact CA-O 3.37Å
121	I	94.2	Very high	93.5	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.108	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.9	-179.8	61.3	166.4	0	0	0	110.4	R119 L123 A129 W130 V132 R166	R119-I121 HydrophobicContact CG-CG2 4.02Å; I121-L123 HydrophobicContact CD1-CD2 4.2Å; I121-L123 HydrophobicContact CD1-CG 4.46Å; I121-A129 CarbonylContact O-C 3.53Å; I121-A129 VanDerWaalsContact O-CA 3.25Å; I121-A129 WeakPolarHBondContact O-CA 3.36Å; I121-W130 HydrophobicContact CD1-CZ2 4.04Å; I121-W130 HydrophobicContact CG1-CD2 4.34Å; I121-W130 HydrophobicContact CG1-CZ2 4.43Å; I121-W130 PolarHBondContact N-O 3.26Å; I121-W130 PolarHBondContact O-N 2.99Å; I121-V132 HydrophobicContact CD1-CB 4.36Å; I121-V132 HydrophobicContact CD1-CG1 3.56Å; I121-V132 HydrophobicContact CD1-CG2 3.84Å; I121-V132 HydrophobicContact CG1-CG1 4.07Å; I121-V132 HydrophobicContact CG1-CG2 4.09Å; I121-V132 HydrophobicContact CG2-CG2 3.97Å; I121-R166 WeakPolarHBondContact CD1-O 3.38Å
122	R	93.5	Very high	93.4	Very high	152 Å²	152	65.6 Å²	65.6	57%	0.574	35%	0.35	S	S	*	.			trans	-132.1	112	171.6	-172.6	179	-157.9	-173.3	5.6	107.1	E124 P125 E127 A129	R122-E124 VanDerWaalsContact CG-O 3.26Å; R122-E124 WeakPolarHBondContact CG-O 3.23Å; R122-E124 PolarHBondContact NE-O 3.26Å; R122-P125 PolarHBondContact NH1-O 3.45Å; R122-P125 PolarHBondContact NH2-O 3.3Å; R122-E127 PolarHBondContact NE-O 2.87Å; R122-E127 PolarHBondContact NH2-O 3.23Å; R122-A129 HydrophobicContact CB-CB 4.44Å
123	L	86.9	Confident	93.5	Very high	60 Å²	60	64 Å²	64	31%	0.314	34%	0.343	S	S	.	.	S	Bend	trans	-81	-43.1	-178.4	-63.4	-173.8	0	0	0	111.4	I121 W130 R166 K167	I121-L123 HydrophobicContact CD1-CD2 4.2Å; I121-L123 HydrophobicContact CD1-CG 4.46Å; L123-W130 HydrophobicContact CB-CH2 3.75Å; L123-W130 HydrophobicContact CB-CZ2 4.4Å; L123-W130 HydrophobicContact CD1-CH2 3.5Å; L123-W130 HydrophobicContact CD1-CZ2 3.4Å; L123-W130 HydrophobicContact CG-CH2 3.39Å; L123-W130 HydrophobicContact CG-CZ2 3.52Å; L123-W130 HydrophobicContact CG-CZ3 4.46Å; L123-R166 HydrophobicContact CD2-CB 4.04Å; L123-K167 HydrophobicContact CD1-CG 3.72Å
124	E	88.5	Confident	93.6	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.523	33%	0.333	S	S	.	.	S	Bend	trans	-115.2	144.4	179.1	-64.7	-61.1	151.9	0	0	111.8	R122 N126 E127	R122-E124 VanDerWaalsContact CG-O 3.26Å; R122-E124 WeakPolarHBondContact CG-O 3.23Å; R122-E124 PolarHBondContact NE-O 3.26Å; E124-N126 PolarHBondContact O-N 3.37Å; E124-E127 HydrophobicContact CB-CB 4.13Å; E124-E127 HydrophobicContact CB-CG 3.85Å; E124-E127 HydrophobicContact CG-CG 4.43Å; E124-E127 PolarHBondContact O-N 3.37Å; E124-E127 VanDerWaalsContact O-N 3.09Å
125	P	88.5	Confident	93.8	Very high	95 Å²	95	57.4 Å²	57.4	62%	0.617	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.8	-180	-24.5	33.8	0	0	0	115.3	R122	R122-P125 PolarHBondContact NH1-O 3.45Å; R122-P125 PolarHBondContact NH2-O 3.3Å
126	N	90.5	Very high	93.9	Very high	161 Å²	161	56.3 Å²	56.3	86%	0.861	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-3.9	-179.1	-68	-21.2	0	0	0	113.3	E124	E124-N126 PolarHBondContact O-N 3.37Å
127	E	87.9	Confident	93.9	Very high	90 Å²	90	62 Å²	62	42%	0.421	32%	0.321	S	S	.	.	S	Bend	trans	-86.7	151.8	176.2	-76.1	-179.2	170.4	0	0	111	R122 E124 W130	R122-E127 PolarHBondContact NE-O 2.87Å; R122-E127 PolarHBondContact NH2-O 3.23Å; E124-E127 HydrophobicContact CB-CB 4.13Å; E124-E127 HydrophobicContact CB-CG 3.85Å; E124-E127 HydrophobicContact CG-CG 4.43Å; E124-E127 PolarHBondContact O-N 3.37Å; E124-E127 VanDerWaalsContact O-N 3.09Å; E127-W130 HydrophobicContact CB-CZ3 4.38Å; E127-W130 WeakPolarHBondContact OE2-CZ3 3.48Å
128	A	90.8	Very high	93.8	Very high	81 Å²	81	66.2 Å²	66.2	67%	0.669	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-62.6	146	168.7	0	0	0	0	0	109.5
129	A	92.6	Very high	93.8	Very high	59 Å²	59	66.5 Å²	66.5	49%	0.488	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72.9	142	171.2	0	0	0	0	0	110	T120 I121 R122	T120-A129 HydrophobicContact CG2-CB 3.7Å; I121-A129 CarbonylContact O-C 3.53Å; I121-A129 VanDerWaalsContact O-CA 3.25Å; I121-A129 WeakPolarHBondContact O-CA 3.36Å; R122-A129 HydrophobicContact CB-CB 4.44Å
130	W	93.1	Very high	93.8	Very high	76 Å²	76	65.3 Å²	65.3	29%	0.288	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	164.9	172.9	67.5	94.4	0	0	0	111.2	T120 I121 L123 E127 K167	T120-W130 WeakPolarHBondContact CA-O 3.37Å; I121-W130 HydrophobicContact CD1-CZ2 4.04Å; I121-W130 HydrophobicContact CG1-CD2 4.34Å; I121-W130 HydrophobicContact CG1-CZ2 4.43Å; I121-W130 PolarHBondContact N-O 3.26Å; I121-W130 PolarHBondContact O-N 2.99Å; L123-W130 HydrophobicContact CB-CH2 3.75Å; L123-W130 HydrophobicContact CB-CZ2 4.4Å; L123-W130 HydrophobicContact CD1-CH2 3.5Å; L123-W130 HydrophobicContact CD1-CZ2 3.4Å; L123-W130 HydrophobicContact CG-CH2 3.39Å; L123-W130 HydrophobicContact CG-CZ2 3.52Å; L123-W130 HydrophobicContact CG-CZ3 4.46Å; E127-W130 HydrophobicContact CB-CZ3 4.38Å; E127-W130 WeakPolarHBondContact OE2-CZ3 3.48Å; W130-K167 HydrophobicContact CZ2-CG 4.49Å
131	K	95.4	Very high	93.7	Very high	104 Å²	104	66.5 Å²	66.5	45%	0.452	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.6	-178.5	-64.2	-169.9	-175.8	-168.7	0	110.2	S111 C113 H118 R119	S111-K131 WeakPolarHBondContact OG-CE 3.36Å; S111-K131 PolarHBondContact OG-NZ 2.87Å; C113-K131 WeakPolarHBondContact SG-CD 3.48Å; C113-K131 PolarHBondContact SG-NZ 3.05Å; H118-K131 HydrophobicContact CB-CB 4.12Å; H118-K131 HydrophobicContact CB-CD 4.38Å; R119-K131 WeakPolarHBondContact O-CA 3.33Å
132	V	95.6	Very high	93.8	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139	169.6	-65.6	0	0	0	0	110.7	H118 R119 I121	H118-V132 CarbonylContact C-O 3.46Å; H118-V132 VanDerWaalsContact CA-O 3.3Å; H118-V132 WeakPolarHBondContact CA-O 3.46Å; H118-V132 VanDerWaalsContact CD2-C 3.47Å; R119-V132 HydrophobicContact CB-CG2 4.42Å; R119-V132 PolarHBondContact N-O 3.43Å; R119-V132 PolarHBondContact O-N 2.81Å; I121-V132 HydrophobicContact CD1-CB 4.36Å; I121-V132 HydrophobicContact CD1-CG1 3.56Å; I121-V132 HydrophobicContact CD1-CG2 3.84Å; I121-V132 HydrophobicContact CG1-CG1 4.07Å; I121-V132 HydrophobicContact CG1-CG2 4.09Å; I121-V132 HydrophobicContact CG2-CG2 3.97Å
133	P	97	Very high	93.9	Very high	22 Å²	22	62.5 Å²	62.5	14%	0.143	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.4	177.9	22.1	-32.1	0	0	0	112.2	L64 V116 S168 Y170	L64-P133 HydrophobicContact CD2-CB 3.63Å; L64-P133 HydrophobicContact CD2-CG 4.33Å; V116-P133 HydrophobicContact CG1-CB 4.36Å; P133-S168 WeakPolarHBondContact CD-O 3.25Å; P133-S168 WeakPolarHBondContact CG-O 3.28Å; P133-Y170 PolarHBondContact O-N 2.73Å; P133-Y170 VanDerWaalsContact O-N 3.11Å
134	V	97.6	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-77.6	126.4	171.7	-174.9	0	0	0	0	109.3	Q68 L74 Y103 L110 L117 R119 Y170	Q68-V134 PolarHBondContact NE2-O 3.42Å; L74-V134 HydrophobicContact CD1-CG1 4.15Å; L74-V134 HydrophobicContact CD2-CG1 3.77Å; Y103-V134 HydrophobicContact CE1-CG1 3.89Å; L110-V134 HydrophobicContact CD2-CG2 4.41Å; L117-V134 HydrophobicContact CB-CB 4.44Å; L117-V134 HydrophobicContact CB-CG2 4.44Å; L117-V134 HydrophobicContact CD2-CB 4.08Å; L117-V134 HydrophobicContact CD2-CG1 4.28Å; L117-V134 HydrophobicContact CD2-CG2 3.95Å; L117-V134 HydrophobicContact CG-CB 4.22Å; L117-V134 HydrophobicContact CG-CG2 3.83Å; L117-V134 PolarHBondContact O-N 2.84Å; R119-V134 HydrophobicContact CB-CG2 4.35Å; V134-Y170 CarbonylContact C-O 3.49Å; V134-Y170 VanDerWaalsContact CA-O 3.22Å; V134-Y170 WeakPolarHBondContact CA-O 3.2Å; V134-Y170 HydrophobicContact CG1-CD1 4.38Å; V134-Y170 HydrophobicContact CG2-CD1 4.11Å
135	K	96.9	Very high	94.7	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.03	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-92.4	126.4	-176.1	-56	-56.1	179.8	-180	0	111.4	L64 W143 A169 Y170 W171	L64-K135 HydrophobicContact CD1-CD 4.03Å; K135-W143 HydrophobicContact CD-CD2 4.43Å; K135-W143 HydrophobicContact CD-CZ2 4.34Å; K135-W143 VanDerWaalsContact CE-CZ2 3.4Å; K135-W143 HydrophobicContact CG-CG 4.4Å; K135-A169 HydrophobicContact CD-CB 4.36Å; K135-A169 HydrophobicContact CG-CB 3.71Å; K135-Y170 PolarHBondContact N-O 2.94Å; K135-W171 HydrophobicContact CB-CE3 3.97Å; K135-W171 HydrophobicContact CG-CE3 4.09Å; K135-W171 HydrophobicContact CG-CZ3 4.35Å
136	P	97.4	Very high	94.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64.9	157.9	173.3	28.4	-33.5	0	0	0	110.5	A67 D71 L74 S138 L139 R140	A67-P136 HydrophobicContact CB-CG 3.66Å; A67-P136 WeakPolarHBondContact O-CB 3.22Å; D71-P136 HydrophobicContact CB-CB 3.8Å; D71-P136 WeakPolarHBondContact OD2-CA 3.32Å; L74-P136 HydrophobicContact CD1-CB 3.9Å; P136-S138 PolarHBondContact O-N 2.87Å; P136-L139 HydrophobicContact CG-CB 4.17Å; P136-L139 HydrophobicContact CG-CD1 3.77Å; P136-L139 HydrophobicContact CG-CG 3.93Å; P136-L139 PolarHBondContact O-N 3Å; P136-R140 PolarHBondContact O-N 3.5Å
137	E	96.6	Very high	95.2	Very high	121 Å²	121	50.4 Å²	50.4	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-54.8	-41.7	-177.2	-173	169.2	164	0	0	112.8	D71 L139 R140	D71-E137 PolarHBondContact OD2-N 3.39Å; E137-L139 PolarHBondContact O-N 2.66Å; E137-L139 VanDerWaalsContact O-N 3.08Å; E137-R140 PolarHBondContact O-N 3.41Å; E137-R140 VanDerWaalsContact O-N 3.17Å
138	S	96.7	Very high	95.6	Very high	89 Å²	89	46.1 Å²	46.1	62%	0.622	25%	0.249	S	C	*	.	H	α-helix	trans	-56.4	-25.8	178.6	57.2	0	0	0	0	114.4	P136	P136-S138 PolarHBondContact O-N 2.87Å
139	L	96.1	Very high	95.8	Very high	31 Å²	31	44.6 Å²	44.6	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-103.8	-10.4	-176.9	-63.6	-179.4	0	0	0	113.5	I59 L64 A67 P136 E137 T141 H142 W143	I59-L139 HydrophobicContact CD1-CD1 4.03Å; I59-L139 HydrophobicContact CD1-CD2 3.82Å; I59-L139 HydrophobicContact CD1-CG 4.38Å; I59-L139 HydrophobicContact CG2-CD1 4.36Å; L64-L139 HydrophobicContact CD1-CD1 3.95Å; A67-L139 HydrophobicContact CB-CD1 3.79Å; A67-L139 HydrophobicContact CB-CG 4.32Å; P136-L139 HydrophobicContact CG-CB 4.17Å; P136-L139 HydrophobicContact CG-CD1 3.77Å; P136-L139 HydrophobicContact CG-CG 3.93Å; P136-L139 PolarHBondContact O-N 3Å; E137-L139 PolarHBondContact O-N 2.66Å; E137-L139 VanDerWaalsContact O-N 3.08Å; L139-T141 VanDerWaalsContact C-N 3.34Å; L139-T141 PolarHBondContact O-N 3.12Å; L139-H142 WeakPolarHBondContact O-CB 3.06Å; L139-H142 PolarHBondContact O-N 2.91Å; L139-W143 VanDerWaalsContact O-CD1 3.31Å; L139-W143 PolarHBondContact O-N 3.44Å
140	R	96.7	Very high	95.7	Very high	37 Å²	37	42.9 Å²	42.9	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-57.1	-45.4	-174.7	-68.1	176.3	-170.9	158.9	12.9	112.3	P136 E137 H142 W143 L144 W171	P136-R140 PolarHBondContact O-N 3.5Å; E137-R140 PolarHBondContact O-N 3.41Å; E137-R140 VanDerWaalsContact O-N 3.17Å; R140-H142 VanDerWaalsContact C-N 3.3Å; R140-H142 PolarHBondContact O-N 3.3Å; R140-W143 PolarHBondContact O-N 2.87Å; R140-L144 WeakPolarHBondContact O-CG 3.42Å; R140-L144 PolarHBondContact O-N 3.02Å; R140-W171 VanDerWaalsContact CD-CD1 3.44Å; R140-W171 HydrophobicContact CG-CD2 4.01Å; R140-W171 HydrophobicContact CG-CG 4.04Å
141	T	96.1	Very high	95.6	Very high	77 Å²	77	45 Å²	45	47%	0.472	24%	0.238	S	C	.	.	H	α-helix	trans	-62.3	-35.8	178.3	-51.8	0	0	0	0	112.7	L139 L144 K145	L139-T141 VanDerWaalsContact C-N 3.34Å; L139-T141 PolarHBondContact O-N 3.12Å; T141-L144 PolarHBondContact O-N 2.89Å; T141-K145 HydrophobicContact CG2-CD 4.33Å; T141-K145 WeakPolarHBondContact O-CB 3.47Å; T141-K145 WeakPolarHBondContact O-CG 3.35Å; T141-K145 PolarHBondContact O-N 2.96Å
142	H	95.1	Very high	95.2	Very high	71 Å²	71	41.2 Å²	41.2	33%	0.329	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-47.1	175.4	173.7	93.3	0	0	0	110.7	S57 L139 R140 K145 L146	S57-H142 PolarHBondContact OG-NE2 3.31Å; L139-H142 WeakPolarHBondContact O-CB 3.06Å; L139-H142 PolarHBondContact O-N 2.91Å; R140-H142 VanDerWaalsContact C-N 3.3Å; R140-H142 PolarHBondContact O-N 3.3Å; H142-K145 PolarHBondContact O-N 2.94Å; H142-L146 VanDerWaalsContact O-CB 3.22Å; H142-L146 WeakPolarHBondContact O-CB 3.22Å; H142-L146 PolarHBondContact O-N 3.39Å
143	W	95.1	Very high	94.9	Very high	18 Å²	18	41.1 Å²	41.1	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-37.6	178.6	-75.4	84.4	0	0	0	112.6	S57 K135 L139 R140 L146 F147 L165 A169 W171	S57-W143 VanDerWaalsContact CB-CH2 3.47Å; S57-W143 WeakPolarHBondContact OG-CZ2 3.43Å; K135-W143 HydrophobicContact CD-CD2 4.43Å; K135-W143 HydrophobicContact CD-CZ2 4.34Å; K135-W143 VanDerWaalsContact CE-CZ2 3.4Å; K135-W143 HydrophobicContact CG-CG 4.4Å; L139-W143 VanDerWaalsContact O-CD1 3.31Å; L139-W143 PolarHBondContact O-N 3.44Å; R140-W143 PolarHBondContact O-N 2.87Å; W143-L146 PolarHBondContact O-N 2.91Å; W143-F147 HydrophobicContact CE3-CD2 4.03Å; W143-F147 AromaticContact CE3-CE2 3.42Å; W143-F147 HydrophobicContact CE3-CE2 3.42Å; W143-F147 VanDerWaalsContact CE3-CE2 3.42Å; W143-F147 HydrophobicContact CE3-CZ 4.3Å; W143-F147 AromaticContact CZ3-CE2 3.56Å; W143-F147 HydrophobicContact CZ3-CE2 3.56Å; W143-F147 HydrophobicContact CZ3-CZ 4.12Å; W143-F147 WeakPolarHBondContact O-CD2 3.41Å; W143-F147 PolarHBondContact O-N 3.14Å; W143-L165 HydrophobicContact CB-CD2 4.16Å; W143-L165 HydrophobicContact CE3-CD2 4.37Å; W143-A169 HydrophobicContact CD2-CB 4.41Å; W143-A169 HydrophobicContact CE3-CB 4.09Å; W143-A169 HydrophobicContact CZ3-CB 4.49Å; W143-W171 HydrophobicContact CB-CH2 4.47Å; W143-W171 HydrophobicContact CB-CZ3 4.45Å
144	L	96.8	Very high	94.7	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-49.6	174	-71.1	168.6	0	0	0	111.8	R140 T141 L146 F147 H148 L165 W171 D177 V178 Y181	R140-L144 WeakPolarHBondContact O-CG 3.42Å; R140-L144 PolarHBondContact O-N 3.02Å; T141-L144 PolarHBondContact O-N 2.89Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 3.06Å; L144-F147 PolarHBondContact O-N 2.94Å; L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.23Å; L144-H148 PolarHBondContact O-N 3.13Å; L144-L165 HydrophobicContact CD2-CD1 4.17Å; L144-W171 HydrophobicContact CD2-CH2 4.49Å; L144-W171 HydrophobicContact CD2-CZ2 4.22Å; L144-W171 HydrophobicContact CG-CZ2 4.34Å; L144-D177 HydrophobicContact CD1-CB 4.46Å; L144-V178 HydrophobicContact CD2-CB 4.26Å; L144-V178 HydrophobicContact CD2-CG2 3.59Å; L144-Y181 HydrophobicContact CB-CD1 4.02Å; L144-Y181 HydrophobicContact CB-CD2 3.84Å; L144-Y181 HydrophobicContact CB-CE1 4.19Å; L144-Y181 HydrophobicContact CB-CE2 4.02Å; L144-Y181 HydrophobicContact CB-CG 3.86Å; L144-Y181 HydrophobicContact CD1-CD2 3.89Å; L144-Y181 HydrophobicContact CD1-CG 4.09Å; L144-Y181 HydrophobicContact CD2-CG 4.3Å; L144-Y181 HydrophobicContact CG-CD2 4.4Å; L144-Y181 HydrophobicContact CG-CG 4.31Å
145	K	95.4	Very high	94.6	Very high	114 Å²	114	45.2 Å²	45.2	50%	0.496	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-49	174.2	-77.8	176.3	175.3	-175	0	111.5	T141 H142 F147 H148 D149 S150 Y181	T141-K145 HydrophobicContact CG2-CD 4.33Å; T141-K145 WeakPolarHBondContact O-CB 3.47Å; T141-K145 WeakPolarHBondContact O-CG 3.35Å; T141-K145 PolarHBondContact O-N 2.96Å; H142-K145 PolarHBondContact O-N 2.94Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.41Å; K145-H148 PolarHBondContact O-N 3.35Å; K145-D149 WeakPolarHBondContact CG-OD2 3.48Å; K145-D149 WeakPolarHBondContact O-CA 3.49Å; K145-D149 VanDerWaalsContact O-CB 3.3Å; K145-D149 WeakPolarHBondContact O-CB 3.41Å; K145-D149 PolarHBondContact O-N 3.1Å; K145-S150 PolarHBondContact O-N 3.35Å; K145-Y181 HydrophobicContact CG-CE2 4.46Å; K145-Y181 WeakPolarHBondContact CG-OH 3.3Å
146	L	94.3	Very high	94.4	Very high	37 Å²	37	47 Å²	47	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-38	-176.4	-178.3	62.4	0	0	0	112.4	V55 H142 W143 L144 S150	V55-L146 HydrophobicContact CG1-CD1 3.69Å; V55-L146 HydrophobicContact CG1-CD2 3.93Å; V55-L146 HydrophobicContact CG1-CG 3.38Å; H142-L146 VanDerWaalsContact O-CB 3.22Å; H142-L146 WeakPolarHBondContact O-CB 3.22Å; H142-L146 PolarHBondContact O-N 3.39Å; W143-L146 PolarHBondContact O-N 2.91Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 3.06Å; L146-S150 WeakPolarHBondContact O-CB 3.16Å; L146-S150 PolarHBondContact O-OG 2.88Å
147	F	95	Very high	94.3	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.057	29%	0.285	C	S	.	.	H	α-helix	trans	-92.5	-21.9	-177.5	-81.9	-101.8	0	0	0	114.8	V55 W143 L144 K145 G153 T161 R164 L165 S168	V55-F147 HydrophobicContact CB-CZ 4.41Å; V55-F147 HydrophobicContact CG1-CD2 4.05Å; V55-F147 HydrophobicContact CG1-CE1 4.4Å; V55-F147 HydrophobicContact CG1-CE2 3.79Å; V55-F147 HydrophobicContact CG1-CG 4.45Å; V55-F147 HydrophobicContact CG1-CZ 3.98Å; W143-F147 HydrophobicContact CE3-CD2 4.03Å; W143-F147 AromaticContact CE3-CE2 3.42Å; W143-F147 HydrophobicContact CE3-CE2 3.42Å; W143-F147 VanDerWaalsContact CE3-CE2 3.42Å; W143-F147 HydrophobicContact CE3-CZ 4.3Å; W143-F147 AromaticContact CZ3-CE2 3.56Å; W143-F147 HydrophobicContact CZ3-CE2 3.56Å; W143-F147 HydrophobicContact CZ3-CZ 4.12Å; W143-F147 WeakPolarHBondContact O-CD2 3.41Å; W143-F147 PolarHBondContact O-N 3.14Å; L144-F147 PolarHBondContact O-N 2.94Å; K145-F147 VanDerWaalsContact C-N 3.31Å; K145-F147 PolarHBondContact O-N 3.41Å; F147-G153 WeakPolarHBondContact O-CA 3.43Å; F147-T161 HydrophobicContact CB-CG2 4.34Å; F147-R164 HydrophobicContact CD1-CB 3.7Å; F147-R164 HydrophobicContact CE1-CB 4.03Å; F147-L165 HydrophobicContact CB-CD1 4.31Å; F147-L165 HydrophobicContact CB-CD2 3.9Å; F147-L165 HydrophobicContact CB-CG 3.8Å; F147-L165 HydrophobicContact CD1-CD2 4.11Å; F147-L165 HydrophobicContact CD1-CG 4.02Å; F147-L165 HydrophobicContact CD2-CD2 3.47Å; F147-L165 VanDerWaalsContact CD2-CD2 3.47Å; F147-L165 HydrophobicContact CD2-CG 4.21Å; F147-L165 HydrophobicContact CE2-CD2 4.03Å; F147-L165 HydrophobicContact CG-CD2 3.53Å; F147-L165 HydrophobicContact CG-CG 3.73Å; F147-S168 WeakPolarHBondContact CZ-OG 3.38Å
148	H	96.3	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-100.2	-47.5	179.4	-175.9	66.7	0	0	0	112.9	L144 K145 G153 H155 L156 T161 Y181 C182 C185 C188	L144-H148 VanDerWaalsContact O-CB 3.23Å; L144-H148 WeakPolarHBondContact O-CB 3.23Å; L144-H148 PolarHBondContact O-N 3.13Å; K145-H148 PolarHBondContact O-N 3.35Å; H148-G153 CarbonylContact O-C 3.46Å; H148-H155 AromaticContact CD2-ND1 3.5Å; H148-H155 PolarHBondContact CD2-ND1 2.66Å; H148-H155 AromaticContact CE1-ND1 3.84Å; H148-H155 AromaticContact NE2-ND1 3.14Å; H148-H155 PolarHBondContact NE2-ND1 2.89Å; H148-H155 VanDerWaalsContact NE2-ND1 3.14Å; H148-H155 WeakPolarHBondContact O-CA 3.41Å; H148-H155 PolarHBondContact O-N 3.11Å; H148-L156 PolarHBondContact CE1-O 3.25Å; H148-L156 PolarHBondContact ND1-O 3.05Å; H148-T161 HydrophobicContact CB-CG2 4.15Å; H148-Y181 HydrophobicContact CB-CD1 4.04Å; H148-Y181 HydrophobicContact CB-CE1 3.81Å; H148-Y181 AromaticContact CD2-CD1 3.89Å; H148-Y181 AromaticContact CD2-CE1 3.6Å; H148-Y181 AromaticContact CG-CE1 3.97Å; H148-C182 PolarHBondContact ND1-SG 3.02Å; H148-C185 PolarHBondContact NE2-SG 3.39Å; H148-C185 VanDerWaalsContact NE2-SG 3.35Å; H148-C188 PolarHBondContact CE1-SG 3.4Å; H148-C188 PolarHBondContact NE2-SG 2.86Å
149	D	95	Very high	94.3	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.2	-170.1	-57.4	-28.9	0	0	0	113.6	K145 H155 Y181	K145-D149 WeakPolarHBondContact CG-OD2 3.48Å; K145-D149 WeakPolarHBondContact O-CA 3.49Å; K145-D149 VanDerWaalsContact O-CB 3.3Å; K145-D149 WeakPolarHBondContact O-CB 3.41Å; K145-D149 PolarHBondContact O-N 3.1Å; D149-H155 IonicContact OD1-CE1 2.96Å; D149-H155 PolarHBondContact OD1-CE1 3.26Å; D149-H155 IonicContact OD1-ND1 2.78Å; D149-Y181 PolarHBondContact OD2-OH 2.6Å
150	S	91.7	Very high	94.3	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	29%	0.287	C	S	.	.	S	Bend	trans	-64.9	156.6	178.5	67.8	0	0	0	0	111.5	K145 L146 A152 G153 A154	K145-S150 PolarHBondContact O-N 3.35Å; L146-S150 WeakPolarHBondContact O-CB 3.16Å; L146-S150 PolarHBondContact O-OG 2.88Å; S150-A152 PolarHBondContact O-N 2.82Å; S150-A152 VanDerWaalsContact O-N 3.17Å; S150-G153 CarbonylContact O-C 3.53Å; S150-G153 VanDerWaalsContact O-CA 3.32Å; S150-G153 WeakPolarHBondContact O-CA 3.17Å; S150-G153 PolarHBondContact O-N 2.77Å; S150-G153 PolarHBondContact OG-N 3.19Å; S150-A154 PolarHBondContact O-N 3.25Å
151	P	90.1	Very high	94.3	Very high	120 Å²	120	49 Å²	49	78%	0.779	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-36.5	174.7	-27.6	35.6	0	0	0	113
152	A	87.4	Confident	94.3	Very high	24 Å²	24	46.1 Å²	46.1	20%	0.198	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-39.5	174	0	0	0	0	0	112	T53 V55 S150 R164	T53-A152 HydrophobicContact CG2-CB 4.31Å; T53-A152 WeakPolarHBondContact O-CB 3.37Å; V55-A152 HydrophobicContact CG2-CB 3.36Å; S150-A152 PolarHBondContact O-N 2.82Å; S150-A152 VanDerWaalsContact O-N 3.17Å; A152-R164 PolarHBondContact O-NH1 3.35Å
153	G	90.5	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.5	174.4	0	0	0	0	0	114.4	F147 H148 S150 H155 L156	F147-G153 WeakPolarHBondContact O-CA 3.43Å; H148-G153 CarbonylContact O-C 3.46Å; S150-G153 CarbonylContact O-C 3.53Å; S150-G153 VanDerWaalsContact O-CA 3.32Å; S150-G153 WeakPolarHBondContact O-CA 3.17Å; S150-G153 PolarHBondContact O-N 2.77Å; S150-G153 PolarHBondContact OG-N 3.19Å; G153-H155 PolarHBondContact O-N 2.96Å; G153-L156 WeakPolarHBondContact O-CG 3.44Å; G153-L156 PolarHBondContact O-N 2.78Å; G153-L156 VanDerWaalsContact O-N 3.14Å
154	A	92.5	Very high	94.2	Very high	60 Å²	60	50.2 Å²	50.2	50%	0.496	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	28.7	172.5	0	0	0	0	0	114.9	S150 L156	S150-A154 PolarHBondContact O-N 3.25Å; A154-L156 HydrophobicContact CB-CG 4.37Å; A154-L156 PolarHBondContact O-N 3.18Å; A154-L156 VanDerWaalsContact O-N 3.11Å
155	H	94.9	Very high	94	Very high	49 Å²	49	49.8 Å²	49.8	23%	0.227	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	33.1	-178.2	-72.2	-70.9	0	0	0	113.8	H148 D149 G153 C185 K187	H148-H155 AromaticContact CD2-ND1 3.5Å; H148-H155 PolarHBondContact CD2-ND1 2.66Å; H148-H155 AromaticContact CE1-ND1 3.84Å; H148-H155 AromaticContact NE2-ND1 3.14Å; H148-H155 PolarHBondContact NE2-ND1 2.89Å; H148-H155 VanDerWaalsContact NE2-ND1 3.14Å; H148-H155 WeakPolarHBondContact O-CA 3.41Å; H148-H155 PolarHBondContact O-N 3.11Å; D149-H155 IonicContact OD1-CE1 2.96Å; D149-H155 PolarHBondContact OD1-CE1 3.26Å; D149-H155 IonicContact OD1-ND1 2.78Å; G153-H155 PolarHBondContact O-N 2.96Å; H155-C185 PolarHBondContact ND1-SG 3.39Å; H155-K187 WeakPolarHBondContact NE2-CD 3.32Å
156	L	93	Very high	94	Very high	43 Å²	43	49.2 Å²	49.2	23%	0.225	27%	0.273	C	S	.	.			trans	-62.4	158.1	178.7	-66	173.1	0	0	0	111.3	H148 G153 A154 K160 T161 R164	H148-L156 PolarHBondContact CE1-O 3.25Å; H148-L156 PolarHBondContact ND1-O 3.05Å; G153-L156 WeakPolarHBondContact O-CG 3.44Å; G153-L156 PolarHBondContact O-N 2.78Å; G153-L156 VanDerWaalsContact O-N 3.14Å; A154-L156 HydrophobicContact CB-CG 4.37Å; A154-L156 PolarHBondContact O-N 3.18Å; A154-L156 VanDerWaalsContact O-N 3.11Å; L156-K160 HydrophobicContact CB-CB 3.93Å; L156-K160 HydrophobicContact CB-CD 4.19Å; L156-K160 HydrophobicContact CD1-CB 4.25Å; L156-K160 HydrophobicContact CD1-CD 4.17Å; L156-K160 HydrophobicContact CD2-CD 4.05Å; L156-K160 HydrophobicContact CG-CD 4.37Å; L156-T161 PolarHBondContact O-OG1 3.27Å; L156-T161 VanDerWaalsContact O-OG1 3.13Å; L156-R164 VanDerWaalsContact CD1-CZ 3.42Å
157	G	94.2	Very high	93.9	Very high	46 Å²	46	54 Å²	54	47%	0.474	29%	0.292	S	S	.	.			trans	-58	167	178	0	0	0	0	0	113.6	D159 K160 T161	G157-D159 PolarHBondContact O-N 2.76Å; G157-K160 PolarHBondContact O-N 3.45Å; G157-T161 PolarHBondContact O-N 3.32Å; G157-T161 PolarHBondContact O-OG1 2.93Å
158	A	97.1	Very high	93.8	Very high	21 Å²	21	54.9 Å²	54.9	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-45.3	-174.2	0	0	0	0	0	112.7	K160 T161 L162 V178 N179 C182	A158-K160 PolarHBondContact O-N 3.14Å; A158-T161 PolarHBondContact O-N 3.48Å; A158-L162 VanDerWaalsContact O-CB 3.3Å; A158-L162 WeakPolarHBondContact O-CB 3.31Å; A158-L162 PolarHBondContact O-N 3.35Å; A158-V178 HydrophobicContact CB-CG1 4.37Å; A158-V178 WeakPolarHBondContact O-CG1 3.13Å; A158-N179 HydrophobicContact CB-CB 4.49Å; A158-C182 HydrophobicContact CB-CB 4.31Å
159	D	96.9	Very high	93.7	Very high	127 Å²	127	54.9 Å²	54.9	68%	0.679	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-49	-178.7	-58.5	-34.1	0	0	0	112	G157 T161 L162 D163	G157-D159 PolarHBondContact O-N 2.76Å; D159-T161 VanDerWaalsContact C-N 3.29Å; D159-T161 PolarHBondContact O-N 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.41Å; D159-L162 PolarHBondContact O-N 3.36Å; D159-D163 VanDerWaalsContact O-CG 3.31Å; D159-D163 PolarHBondContact O-N 2.91Å
160	K	95.5	Very high	93.8	Very high	127 Å²	127	53.9 Å²	53.9	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-37.9	178.1	-67.8	-175.6	179.2	-178.4	0	112.1	L156 G157 A158 R164	L156-K160 HydrophobicContact CB-CB 3.93Å; L156-K160 HydrophobicContact CB-CD 4.19Å; L156-K160 HydrophobicContact CD1-CB 4.25Å; L156-K160 HydrophobicContact CD1-CD 4.17Å; L156-K160 HydrophobicContact CD2-CD 4.05Å; L156-K160 HydrophobicContact CG-CD 4.37Å; G157-K160 PolarHBondContact O-N 3.45Å; A158-K160 PolarHBondContact O-N 3.14Å; K160-R164 WeakPolarHBondContact O-CG 3.32Å; K160-R164 PolarHBondContact O-N 2.98Å
161	T	96.5	Very high	94	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-44.2	176.9	-56.6	0	0	0	0	110.3	F147 H148 L156 G157 A158 D159 R164 L165 V178	F147-T161 HydrophobicContact CB-CG2 4.34Å; H148-T161 HydrophobicContact CB-CG2 4.15Å; L156-T161 PolarHBondContact O-OG1 3.27Å; L156-T161 VanDerWaalsContact O-OG1 3.13Å; G157-T161 PolarHBondContact O-N 3.32Å; G157-T161 PolarHBondContact O-OG1 2.93Å; A158-T161 PolarHBondContact O-N 3.48Å; D159-T161 VanDerWaalsContact C-N 3.29Å; D159-T161 PolarHBondContact O-N 3.35Å; T161-R164 PolarHBondContact O-N 3.47Å; T161-L165 HydrophobicContact CG2-CD1 4.1Å; T161-L165 PolarHBondContact O-N 3.26Å; T161-V178 HydrophobicContact CG2-CG1 4Å
162	L	97	Very high	94.3	Very high	16 Å²	16	48 Å²	48	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-44.5	178.1	-177.9	62.2	0	0	0	111.8	A158 D159 R164 L165 R166 M174 A175 V178	A158-L162 VanDerWaalsContact O-CB 3.3Å; A158-L162 WeakPolarHBondContact O-CB 3.31Å; A158-L162 PolarHBondContact O-N 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.41Å; D159-L162 PolarHBondContact O-N 3.36Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 3.48Å; L162-R166 HydrophobicContact CD1-CG 4.45Å; L162-R166 HydrophobicContact CG-CG 4.47Å; L162-R166 WeakPolarHBondContact O-CB 3.02Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.31Å; L162-R166 PolarHBondContact O-N 3.18Å; L162-M174 HydrophobicContact CD1-CE 3.81Å; L162-M174 HydrophobicContact CD1-CG 3.92Å; L162-M174 HydrophobicContact CD1-SD 4.49Å; L162-A175 HydrophobicContact CD1-CB 4.28Å; L162-A175 HydrophobicContact CD2-CB 3.75Å; L162-V178 HydrophobicContact CB-CG1 4.18Å; L162-V178 HydrophobicContact CD1-CG2 4.15Å
163	D	93.9	Very high	94.6	Very high	77 Å²	77	54.9 Å²	54.9	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-33.9	-179.8	-71.4	-22.8	0	0	0	112.6	D159 R166	D159-D163 VanDerWaalsContact O-CG 3.31Å; D159-D163 PolarHBondContact O-N 2.91Å; D163-R166 IonicContact OD1-NH1 3.25Å; D163-R166 PolarHBondContact OD1-NH1 3.45Å
164	R	93.2	Very high	94.9	Very high	98 Å²	98	55.5 Å²	55.5	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-72.4	-44	173.1	-68.9	173.1	173.4	-169.1	-5.3	111.9	F147 A152 L156 K160 T161 L162 R166 K167	F147-R164 HydrophobicContact CD1-CB 3.7Å; F147-R164 HydrophobicContact CE1-CB 4.03Å; A152-R164 PolarHBondContact O-NH1 3.35Å; L156-R164 VanDerWaalsContact CD1-CZ 3.42Å; K160-R164 WeakPolarHBondContact O-CG 3.32Å; K160-R164 PolarHBondContact O-N 2.98Å; T161-R164 PolarHBondContact O-N 3.47Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.36Å; R164-R166 VanDerWaalsContact C-N 3.33Å; R164-R166 PolarHBondContact O-N 2.92Å; R164-K167 PolarHBondContact O-N 3.11Å
165	L	94.4	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-41.5	177.8	-84.9	166.2	0	0	0	112	W143 L144 F147 T161 L162 K167 S168 A169 W171 M174 V178	W143-L165 HydrophobicContact CB-CD2 4.16Å; W143-L165 HydrophobicContact CE3-CD2 4.37Å; L144-L165 HydrophobicContact CD2-CD1 4.17Å; F147-L165 HydrophobicContact CB-CD1 4.31Å; F147-L165 HydrophobicContact CB-CD2 3.9Å; F147-L165 HydrophobicContact CB-CG 3.8Å; F147-L165 HydrophobicContact CD1-CD2 4.11Å; F147-L165 HydrophobicContact CD1-CG 4.02Å; F147-L165 HydrophobicContact CD2-CD2 3.47Å; F147-L165 VanDerWaalsContact CD2-CD2 3.47Å; F147-L165 HydrophobicContact CD2-CG 4.21Å; F147-L165 HydrophobicContact CE2-CD2 4.03Å; F147-L165 HydrophobicContact CG-CD2 3.53Å; F147-L165 HydrophobicContact CG-CG 3.73Å; T161-L165 HydrophobicContact CG2-CD1 4.1Å; T161-L165 PolarHBondContact O-N 3.26Å; L162-L165 PolarHBondContact O-N 3.48Å; L165-K167 PolarHBondContact O-N 3.37Å; L165-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-OG 3.33Å; L165-A169 PolarHBondContact O-N 3.31Å; L165-W171 HydrophobicContact CD1-CH2 4.14Å; L165-W171 HydrophobicContact CD2-CH2 4.18Å; L165-W171 HydrophobicContact CD2-CZ3 4.4Å; L165-M174 HydrophobicContact CB-SD 4.33Å; L165-V178 HydrophobicContact CD1-CG2 3.48Å; L165-V178 VanDerWaalsContact CD1-CG2 3.48Å
166	R	94.2	Very high	95.2	Very high	102 Å²	102	57 Å²	57	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-53.1	-28.6	178.2	-81.7	172.3	173.8	166.1	-6.6	113.4	I121 L123 L162 D163 R164 S168 M174	I121-R166 WeakPolarHBondContact CD1-O 3.38Å; L123-R166 HydrophobicContact CD2-CB 4.04Å; L162-R166 HydrophobicContact CD1-CG 4.45Å; L162-R166 HydrophobicContact CG-CG 4.47Å; L162-R166 WeakPolarHBondContact O-CB 3.02Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.31Å; L162-R166 PolarHBondContact O-N 3.18Å; D163-R166 IonicContact OD1-NH1 3.25Å; D163-R166 PolarHBondContact OD1-NH1 3.45Å; R164-R166 VanDerWaalsContact C-N 3.33Å; R164-R166 PolarHBondContact O-N 2.92Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.49Å; R166-M174 HydrophobicContact CG-CE 3.66Å
167	K	91.9	Very high	95.5	Very high	137 Å²	137	56.8 Å²	56.8	60%	0.596	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.2	179.1	-62.5	-179.5	-177.8	-168.5	0	113.7	L123 W130 R164 L165	L123-K167 HydrophobicContact CD1-CG 3.72Å; W130-K167 HydrophobicContact CZ2-CG 4.49Å; R164-K167 PolarHBondContact O-N 3.11Å; L165-K167 PolarHBondContact O-N 3.37Å
168	S	92.8	Very high	95.7	Very high	31 Å²	31	54.6 Å²	54.6	22%	0.217	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-13.9	-170	62.4	0	0	0	0	115.2	P133 F147 L165 R166	P133-S168 WeakPolarHBondContact CD-O 3.25Å; P133-S168 WeakPolarHBondContact CG-O 3.28Å; F147-S168 WeakPolarHBondContact CZ-OG 3.38Å; L165-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-OG 3.33Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.49Å
169	A	95.3	Very high	95.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.271	C	S	.	.			trans	-152.5	155.9	-174.2	0	0	0	0	0	112.3	K135 W143 L165 W171	K135-A169 HydrophobicContact CD-CB 4.36Å; K135-A169 HydrophobicContact CG-CB 3.71Å; W143-A169 HydrophobicContact CD2-CB 4.41Å; W143-A169 HydrophobicContact CE3-CB 4.09Å; W143-A169 HydrophobicContact CZ3-CB 4.49Å; L165-A169 PolarHBondContact O-N 3.31Å; A169-W171 HydrophobicContact CB-CE3 4.31Å; A169-W171 HydrophobicContact CB-CZ3 3.86Å
170	Y	96.8	Very high	95.8	Very high	30 Å²	30	54.4 Å²	54.4	12%	0.118	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-141.5	145.7	167.9	174.3	-101.9	0	0	0	111	Y103 I106 R119 P133 V134 K135	Y103-Y170 HydrophobicContact CE1-CE1 4.42Å; I106-Y170 HydrophobicContact CD1-CE1 3.57Å; I106-Y170 WeakPolarHBondContact CD1-OH 3.46Å; R119-Y170 HydrophobicContact CB-CD1 4.1Å; R119-Y170 HydrophobicContact CB-CG 4.34Å; R119-Y170 HydrophobicContact CG-CD1 4.45Å; R119-Y170 VanDerWaalsContact NH1-CZ 3.31Å; P133-Y170 PolarHBondContact O-N 2.73Å; P133-Y170 VanDerWaalsContact O-N 3.11Å; V134-Y170 CarbonylContact C-O 3.49Å; V134-Y170 VanDerWaalsContact CA-O 3.22Å; V134-Y170 WeakPolarHBondContact CA-O 3.2Å; V134-Y170 HydrophobicContact CG1-CD1 4.38Å; V134-Y170 HydrophobicContact CG2-CD1 4.11Å; K135-Y170 PolarHBondContact N-O 2.94Å
171	W	96.9	Very high	95.9	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	24%	0.236	C	C	.	.			trans	-154.6	162.2	160.5	58.6	97	0	0	0	110	K135 R140 W143 L144 L165 A169 R173 M174 D177	K135-W171 HydrophobicContact CB-CE3 3.97Å; K135-W171 HydrophobicContact CG-CE3 4.09Å; K135-W171 HydrophobicContact CG-CZ3 4.35Å; R140-W171 VanDerWaalsContact CD-CD1 3.44Å; R140-W171 HydrophobicContact CG-CD2 4.01Å; R140-W171 HydrophobicContact CG-CG 4.04Å; W143-W171 HydrophobicContact CB-CH2 4.47Å; W143-W171 HydrophobicContact CB-CZ3 4.45Å; L144-W171 HydrophobicContact CD2-CH2 4.49Å; L144-W171 HydrophobicContact CD2-CZ2 4.22Å; L144-W171 HydrophobicContact CG-CZ2 4.34Å; L165-W171 HydrophobicContact CD1-CH2 4.14Å; L165-W171 HydrophobicContact CD2-CH2 4.18Å; L165-W171 HydrophobicContact CD2-CZ3 4.4Å; A169-W171 HydrophobicContact CB-CE3 4.31Å; A169-W171 HydrophobicContact CB-CZ3 3.86Å; W171-R173 PolarHBondContact O-N 3.49Å; W171-M174 HydrophobicContact CD2-CB 3.77Å; W171-M174 HydrophobicContact CD2-CG 3.84Å; W171-M174 HydrophobicContact CD2-SD 4.07Å; W171-M174 HydrophobicContact CE3-CB 4.38Å; W171-M174 HydrophobicContact CE3-CG 4.06Å; W171-M174 HydrophobicContact CE3-SD 3.7Å; W171-M174 HydrophobicContact CG-CB 3.99Å; W171-M174 HydrophobicContact CH2-CG 3.75Å; W171-M174 HydrophobicContact CH2-SD 3.88Å; W171-M174 HydrophobicContact CZ2-CB 4.11Å; W171-M174 HydrophobicContact CZ2-CG 3.53Å; W171-M174 HydrophobicContact CZ2-SD 4.25Å; W171-M174 HydrophobicContact CZ3-CG 4.01Å; W171-M174 HydrophobicContact CZ3-SD 3.59Å; W171-M174 VanDerWaalsContact CZ3-SD 3.59Å; W171-M174 VanDerWaalsContact NE1-CA 3.33Å; W171-M174 WeakPolarHBondContact O-CB 3.44Å; W171-M174 PolarHBondContact O-N 3Å; W171-D177 PolarHBondContact NE1-OD2 2.75Å
172	V	94.3	Very high	95.9	Very high	18 Å²	18	51 Å²	51	11%	0.109	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	132	176.5	170.3	0	0	0	0	109.2	R102 Y103 M174	R102-V172 HydrophobicContact CB-CB 4.41Å; R102-V172 HydrophobicContact CB-CG1 3.79Å; R102-V172 HydrophobicContact CB-CG2 3.66Å; R102-V172 HydrophobicContact CG-CG1 3.83Å; Y103-V172 HydrophobicContact CD1-CG2 4.29Å; Y103-V172 HydrophobicContact CD2-CG2 3.93Å; Y103-V172 HydrophobicContact CE1-CG2 3.86Å; Y103-V172 HydrophobicContact CE2-CB 4.3Å; Y103-V172 HydrophobicContact CE2-CG2 3.45Å; Y103-V172 VanDerWaalsContact CE2-CG2 3.45Å; Y103-V172 HydrophobicContact CG-CG2 4.33Å; Y103-V172 VanDerWaalsContact CZ-CG2 3.41Å; V172-M174 VanDerWaalsContact C-N 3.29Å; V172-M174 PolarHBondContact O-N 3.24Å
173	R	94.3	Very high	95.8	Very high	168 Å²	168	55.9 Å²	55.9	63%	0.634	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	19.5	-175.6	-59.5	174.9	67.3	162.1	-0.2	115.5	W171 A175 H176 D177	W171-R173 PolarHBondContact O-N 3.49Å; R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 3.18Å; R173-A175 VanDerWaalsContact O-N 3.11Å; R173-H176 HydrophobicContact CB-CB 4.33Å; R173-H176 PolarHBondContact NH2-CD2 3.33Å; R173-H176 PolarHBondContact NH2-NE2 3.21Å; R173-H176 WeakPolarHBondContact O-CA 3.18Å; R173-H176 WeakPolarHBondContact O-CB 2.95Å; R173-H176 PolarHBondContact O-N 3.34Å; R173-D177 PolarHBondContact O-N 3.42Å; R173-D177 VanDerWaalsContact O-N 3.1Å
174	M	96.8	Very high	95.9	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-47.1	-43.5	175.8	178.7	170.4	77.4	0	0	115	L162 L165 R166 W171 V172 H176 D177 V178	L162-M174 HydrophobicContact CD1-CE 3.81Å; L162-M174 HydrophobicContact CD1-CG 3.92Å; L162-M174 HydrophobicContact CD1-SD 4.49Å; L165-M174 HydrophobicContact CB-SD 4.33Å; R166-M174 HydrophobicContact CG-CE 3.66Å; W171-M174 HydrophobicContact CD2-CB 3.77Å; W171-M174 HydrophobicContact CD2-CG 3.84Å; W171-M174 HydrophobicContact CD2-SD 4.07Å; W171-M174 HydrophobicContact CE3-CB 4.38Å; W171-M174 HydrophobicContact CE3-CG 4.06Å; W171-M174 HydrophobicContact CE3-SD 3.7Å; W171-M174 HydrophobicContact CG-CB 3.99Å; W171-M174 HydrophobicContact CH2-CG 3.75Å; W171-M174 HydrophobicContact CH2-SD 3.88Å; W171-M174 HydrophobicContact CZ2-CB 4.11Å; W171-M174 HydrophobicContact CZ2-CG 3.53Å; W171-M174 HydrophobicContact CZ2-SD 4.25Å; W171-M174 HydrophobicContact CZ3-CG 4.01Å; W171-M174 HydrophobicContact CZ3-SD 3.59Å; W171-M174 VanDerWaalsContact CZ3-SD 3.59Å; W171-M174 VanDerWaalsContact NE1-CA 3.33Å; W171-M174 WeakPolarHBondContact O-CB 3.44Å; W171-M174 PolarHBondContact O-N 3Å; V172-M174 VanDerWaalsContact C-N 3.29Å; V172-M174 PolarHBondContact O-N 3.24Å; M174-H176 VanDerWaalsContact C-N 3.31Å; M174-H176 PolarHBondContact O-N 3.27Å; M174-D177 PolarHBondContact O-N 2.71Å; M174-V178 HydrophobicContact CG-CG2 4.28Å; M174-V178 WeakPolarHBondContact O-CB 3.4Å; M174-V178 VanDerWaalsContact O-CG2 3.23Å; M174-V178 WeakPolarHBondContact O-CG2 3.46Å; M174-V178 PolarHBondContact O-N 3.17Å
175	A	97.3	Very high	96	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-37.5	178.3	0	0	0	0	0	113.2	L162 R173 N179	L162-A175 HydrophobicContact CD1-CB 4.28Å; L162-A175 HydrophobicContact CD2-CB 3.75Å; R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 3.18Å; R173-A175 VanDerWaalsContact O-N 3.11Å; A175-N179 WeakPolarHBondContact O-CB 3.44Å; A175-N179 PolarHBondContact O-N 3.07Å
176	H	97.7	Very high	96	Very high	84 Å²	84	57.6 Å²	57.6	39%	0.389	29%	0.285	S	S	.	.	H	α-helix	trans	-68.2	-47.3	176.8	174.8	71.9	0	0	0	110.7	R173 M174 V178 N179 E180	R173-H176 HydrophobicContact CB-CB 4.33Å; R173-H176 PolarHBondContact NH2-CD2 3.33Å; R173-H176 PolarHBondContact NH2-NE2 3.21Å; R173-H176 WeakPolarHBondContact O-CA 3.18Å; R173-H176 WeakPolarHBondContact O-CB 2.95Å; R173-H176 PolarHBondContact O-N 3.34Å; M174-H176 VanDerWaalsContact C-N 3.31Å; M174-H176 PolarHBondContact O-N 3.27Å; H176-V178 VanDerWaalsContact C-N 3.32Å; H176-V178 PolarHBondContact O-N 3.21Å; H176-N179 PolarHBondContact O-N 2.81Å; H176-E180 PolarHBondContact O-N 2.65Å
177	D	97.9	Very high	96	Very high	39 Å²	39	57.9 Å²	57.9	21%	0.209	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-41.2	179.7	-61	-4	0	0	0	111.3	L144 W171 R173 M174 Y181	L144-D177 HydrophobicContact CD1-CB 4.46Å; W171-D177 PolarHBondContact NE1-OD2 2.75Å; R173-D177 PolarHBondContact O-N 3.42Å; R173-D177 VanDerWaalsContact O-N 3.1Å; M174-D177 PolarHBondContact O-N 2.71Å; D177-Y181 VanDerWaalsContact O-CB 3.25Å; D177-Y181 WeakPolarHBondContact O-CB 3.36Å; D177-Y181 PolarHBondContact O-N 3.09Å
178	V	98.3	Very high	96.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-45.6	174.6	172.2	0	0	0	0	111.3	L144 A158 T161 L162 L165 M174 H176 Y181 C182	L144-V178 HydrophobicContact CD2-CB 4.26Å; L144-V178 HydrophobicContact CD2-CG2 3.59Å; A158-V178 HydrophobicContact CB-CG1 4.37Å; A158-V178 WeakPolarHBondContact O-CG1 3.13Å; T161-V178 HydrophobicContact CG2-CG1 4Å; L162-V178 HydrophobicContact CB-CG1 4.18Å; L162-V178 HydrophobicContact CD1-CG2 4.15Å; L165-V178 HydrophobicContact CD1-CG2 3.48Å; L165-V178 VanDerWaalsContact CD1-CG2 3.48Å; M174-V178 HydrophobicContact CG-CG2 4.28Å; M174-V178 WeakPolarHBondContact O-CB 3.4Å; M174-V178 VanDerWaalsContact O-CG2 3.23Å; M174-V178 WeakPolarHBondContact O-CG2 3.46Å; M174-V178 PolarHBondContact O-N 3.17Å; H176-V178 VanDerWaalsContact C-N 3.32Å; H176-V178 PolarHBondContact O-N 3.21Å; V178-Y181 PolarHBondContact O-N 3.21Å; V178-C182 PolarHBondContact O-N 3Å; V178-C182 PolarHBondContact O-SG 2.9Å; V178-C182 VanDerWaalsContact O-SG 3.37Å
179	N	98.1	Very high	96.1	Very high	75 Å²	75	54.8 Å²	54.8	40%	0.401	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-48	178.9	-178.4	74.6	0	0	0	111.9	A158 A175 H176 Y181 C182 K183	A158-N179 HydrophobicContact CB-CB 4.49Å; A175-N179 WeakPolarHBondContact O-CB 3.44Å; A175-N179 PolarHBondContact O-N 3.07Å; H176-N179 PolarHBondContact O-N 2.81Å; N179-Y181 VanDerWaalsContact C-N 3.32Å; N179-Y181 PolarHBondContact O-N 3.18Å; N179-C182 PolarHBondContact O-N 2.85Å; N179-K183 WeakPolarHBondContact O-CB 3.41Å; N179-K183 PolarHBondContact O-N 2.9Å
180	E	97.9	Very high	95.9	Very high	69 Å²	69	62.1 Å²	62.1	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-39	177.7	-71.6	-55.7	123.9	0	0	111.7	H176 K183 T184	H176-E180 PolarHBondContact O-N 2.65Å; E180-K183 PolarHBondContact O-N 3.45Å; E180-T184 WeakPolarHBondContact O-CB 3.38Å; E180-T184 WeakPolarHBondContact O-CG2 3.2Å; E180-T184 PolarHBondContact O-N 3.03Å; E180-T184 PolarHBondContact O-OG1 3.07Å
181	Y	97.9	Very high	95.4	Very high	44 Å²	44	68.2 Å²	68.2	17%	0.173	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-52.2	175.8	-167.2	-95.7	0	0	0	112.3	L144 K145 H148 D149 D177 V178 N179 K183 T184 C185	L144-Y181 HydrophobicContact CB-CD1 4.02Å; L144-Y181 HydrophobicContact CB-CD2 3.84Å; L144-Y181 HydrophobicContact CB-CE1 4.19Å; L144-Y181 HydrophobicContact CB-CE2 4.02Å; L144-Y181 HydrophobicContact CB-CG 3.86Å; L144-Y181 HydrophobicContact CD1-CD2 3.89Å; L144-Y181 HydrophobicContact CD1-CG 4.09Å; L144-Y181 HydrophobicContact CD2-CG 4.3Å; L144-Y181 HydrophobicContact CG-CD2 4.4Å; L144-Y181 HydrophobicContact CG-CG 4.31Å; K145-Y181 HydrophobicContact CG-CE2 4.46Å; K145-Y181 WeakPolarHBondContact CG-OH 3.3Å; H148-Y181 HydrophobicContact CB-CD1 4.04Å; H148-Y181 HydrophobicContact CB-CE1 3.81Å; H148-Y181 AromaticContact CD2-CD1 3.89Å; H148-Y181 AromaticContact CD2-CE1 3.6Å; H148-Y181 AromaticContact CG-CE1 3.97Å; D149-Y181 PolarHBondContact OD2-OH 2.6Å; D177-Y181 VanDerWaalsContact O-CB 3.25Å; D177-Y181 WeakPolarHBondContact O-CB 3.36Å; D177-Y181 PolarHBondContact O-N 3.09Å; V178-Y181 PolarHBondContact O-N 3.21Å; N179-Y181 VanDerWaalsContact C-N 3.32Å; N179-Y181 PolarHBondContact O-N 3.18Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 2.84Å; Y181-T184 PolarHBondContact O-N 2.96Å; Y181-T184 PolarHBondContact O-OG1 3.21Å; Y181-C185 PolarHBondContact O-N 3.28Å
182	C	96.6	Very high	94.7	Very high	11 Å²	11	74 Å²	74	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-64.8	-32.7	178.4	-65.5	0	0	0	0	112.3	H148 A158 V178 N179	H148-C182 PolarHBondContact ND1-SG 3.02Å; A158-C182 HydrophobicContact CB-CB 4.31Å; V178-C182 PolarHBondContact O-N 3Å; V178-C182 PolarHBondContact O-SG 2.9Å; V178-C182 VanDerWaalsContact O-SG 3.37Å; N179-C182 PolarHBondContact O-N 2.85Å
183	K	95.3	Very high	93.8	Very high	120 Å²	120	80.7 Å²	80.7	52%	0.522	40%	0.398	S	S	.	.	H	α-helix	trans	-70.5	-35.8	177.2	-176	-177.6	174.3	-167.8	0	112.1	N179 E180 Y181 Q189	N179-K183 WeakPolarHBondContact O-CB 3.41Å; N179-K183 PolarHBondContact O-N 2.9Å; E180-K183 PolarHBondContact O-N 3.45Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 2.84Å; K183-Q189 PolarHBondContact O-NE2 3.48Å
184	T	95.8	Very high	92.9	Very high	95 Å²	95	81.4 Å²	81.4	58%	0.583	41%	0.406	S	S	*	.	H	α-helix	trans	-89.9	-6.9	-179.3	54.3	0	0	0	0	113.7	E180 Y181 T186	E180-T184 WeakPolarHBondContact O-CB 3.38Å; E180-T184 WeakPolarHBondContact O-CG2 3.2Å; E180-T184 PolarHBondContact O-N 3.03Å; E180-T184 PolarHBondContact O-OG1 3.07Å; Y181-T184 PolarHBondContact O-N 2.96Å; Y181-T184 PolarHBondContact O-OG1 3.21Å; T184-T186 PolarHBondContact O-N 3.34Å
185	C	96.4	Very high	91.5	Very high	14 Å²	14	86.7 Å²	86.7	10%	0.095	44%	0.441	C	S	.	.			trans	-62.6	113.9	178.5	178.5	0	0	0	0	112.8	H148 H155 Y181 K187 C188 Q189	H148-C185 PolarHBondContact NE2-SG 3.39Å; H148-C185 VanDerWaalsContact NE2-SG 3.35Å; H155-C185 PolarHBondContact ND1-SG 3.39Å; Y181-C185 PolarHBondContact O-N 3.28Å; C185-K187 PolarHBondContact O-N 3.33Å; C185-C188 HydrophobicContact CB-CB 4Å; C185-C188 PolarHBondContact O-N 3.38Å; C185-Q189 VanDerWaalsContact O-CG 3.32Å; C185-Q189 WeakPolarHBondContact O-CG 3.47Å; C185-Q189 PolarHBondContact O-N 2.99Å
186	T	94.2	Very high	90.1	Very high	101 Å²	101	92.9 Å²	92.9	62%	0.62	46%	0.458	S	S	*	.	H	α-helix	trans	-59.8	-42.9	-177	53.1	0	0	0	0	112.9	T184 Q189 Q190	T184-T186 PolarHBondContact O-N 3.34Å; T186-Q189 PolarHBondContact O-N 2.91Å; T186-Q190 VanDerWaalsContact O-CG 3.31Å; T186-Q190 WeakPolarHBondContact O-CG 3.32Å; T186-Q190 PolarHBondContact O-N 3.08Å
187	K	93.8	Very high	88.9	Confident	108 Å²	108	93.8 Å²	93.8	47%	0.47	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-46.8	177.1	-66.6	175.2	177.6	-179.8	0	111.3	H155 C185 Q189 Q190 H191	H155-K187 WeakPolarHBondContact NE2-CD 3.32Å; C185-K187 PolarHBondContact O-N 3.33Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 2.91Å; K187-Q190 PolarHBondContact O-N 3.42Å; K187-H191 PolarHBondContact O-CD2 3.36Å; K187-H191 PolarHBondContact O-N 3.46Å
188	C	94.1	Very high	87.7	Confident	18 Å²	18	97.7 Å²	97.7	12%	0.122	50%	0.499	C	S	.	.	H	α-helix	trans	-60.6	-42.5	175.5	-67.4	0	0	0	0	111.9	H148 C185 Q190 H191 K192	H148-C188 PolarHBondContact CE1-SG 3.4Å; H148-C188 PolarHBondContact NE2-SG 2.86Å; C185-C188 HydrophobicContact CB-CB 4Å; C185-C188 PolarHBondContact O-N 3.38Å; C188-Q190 VanDerWaalsContact C-N 3.34Å; C188-Q190 PolarHBondContact O-N 3.31Å; C188-H191 PolarHBondContact O-N 3.26Å; C188-K192 WeakPolarHBondContact O-CG 3.49Å; C188-K192 PolarHBondContact O-N 3.34Å
189	Q	92.6	Very high	86.7	Confident	85 Å²	85	103.6 Å²	103.6	40%	0.397	53%	0.534	S	S	.	.	H	α-helix	trans	-68.1	-32.2	-179.1	-66	-58.9	-29.6	0	0	112.8	K183 C185 T186 K187	K183-Q189 PolarHBondContact O-NE2 3.48Å; C185-Q189 VanDerWaalsContact O-CG 3.32Å; C185-Q189 WeakPolarHBondContact O-CG 3.47Å; C185-Q189 PolarHBondContact O-N 2.99Å; T186-Q189 PolarHBondContact O-N 2.91Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 2.91Å
190	Q	90.6	Very high	85.8	Confident	154 Å²	154	104.8 Å²	104.8	72%	0.72	55%	0.547	S	S	*	.	H	α-helix	trans	-67.6	-35.3	174.5	-73.5	171.5	-1.9	0	0	112.8	T186 K187 C188	T186-Q190 VanDerWaalsContact O-CG 3.31Å; T186-Q190 WeakPolarHBondContact O-CG 3.32Å; T186-Q190 PolarHBondContact O-N 3.08Å; K187-Q190 PolarHBondContact O-N 3.42Å; C188-Q190 VanDerWaalsContact C-N 3.34Å; C188-Q190 PolarHBondContact O-N 3.31Å
191	H	87.6	Confident	85.1	Confident	158 Å²	158	110 Å²	110	73%	0.731	58%	0.576	S	S	*	*	H	α-helix	trans	-87.7	-14.3	-180	-72.5	-70.5	0	0	0	114.2	K187 C188 L193	K187-H191 PolarHBondContact O-CD2 3.36Å; K187-H191 PolarHBondContact O-N 3.46Å; C188-H191 PolarHBondContact O-N 3.26Å; H191-L193 PolarHBondContact O-N 3.29Å
192	K	82.1	Confident	84.3	Confident	122 Å²	122	115.7 Å²	115.7	53%	0.53	61%	0.606	S	S	.	*	S	Bend	trans	-70.4	114.7	174	-82.8	178.8	-179.7	-175.2	0	109.3	C188 K194	C188-K192 WeakPolarHBondContact O-CG 3.49Å; C188-K192 PolarHBondContact O-N 3.34Å; K192-K194 PolarHBondContact O-N 3.2Å
193	L	75	Confident	83.5	Confident	160 Å²	160	123 Å²	123	84%	0.838	64%	0.644	S	S	*	*			trans	-58.2	122.8	167.8	-62	177.6	0	0	0	108	H191 P195	H191-L193 PolarHBondContact O-N 3.29Å; L193-P195 WeakPolarHBondContact O-CD 3.37Å
194	K	74.8	Confident	82.7	Confident	182 Å²	182	124.5 Å²	124.5	79%	0.791	66%	0.655	S	S	*	*			trans	-61.4	124	164.9	-67.8	-176.9	-179	179.4	0	106	K192 F196	K192-K194 PolarHBondContact O-N 3.2Å; K194-F196 PolarHBondContact O-N 3.26Å
195	P	67.1	Low	81.7	Confident	125 Å²	125	125.9 Å²	125.9	81%	0.812	67%	0.665	S	S	*	*			trans	-56.5	115.5	173.6	-18	28.6	0	0	0	107.1	L193	L193-P195 WeakPolarHBondContact O-CD 3.37Å
196	F	68.6	Low	80.3	Confident	185 Å²	185	133 Å²	133	81%	0.811	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.7	162.4	-68.1	-80.9	0	0	0	106	K194	K194-F196 PolarHBondContact O-N 3.26Å
197	P	73	Confident	79	Confident	104 Å²	104	131.2 Å²	131.2	68%	0.675	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-53.9	142	170.3	24.8	-32.3	0	0	0	107.8	V199	P197-V199 PolarHBondContact O-N 3.03Å
198	P	73.3	Confident	77.5	Confident	121 Å²	121	132 Å²	132	79%	0.786	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-52.9	124.6	176.1	21.7	-30.9	0	0	0	108
199	V	76.2	Confident	75.7	Confident	124 Å²	124	141.3 Å²	141.3	75%	0.752	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-57	133.7	174.3	-88.8	0	0	0	0	108.2	P197 L201	P197-V199 PolarHBondContact O-N 3.03Å; V199-L201 PolarHBondContact O-N 3.11Å
200	P	80.1	Confident	74.9	Confident	101 Å²	101	144.2 Å²	144.2	66%	0.656	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-52.9	139.3	175.9	-24.3	32.8	0	0	0	110.2	M202	P200-M202 PolarHBondContact O-N 3.27Å; P200-M202 VanDerWaalsContact O-N 3.08Å
201	L	81.9	Confident	74.1	Confident	179 Å²	179	143.6 Å²	143.6	94%	0.937	80%	0.801	S	S	*	*			trans	-60.2	115.7	174.6	-68	170.3	0	0	0	108.5	V199	V199-L201 PolarHBondContact O-N 3.11Å
202	M	81.9	Confident	73.3	Confident	162 Å²	162	142.8 Å²	142.8	80%	0.798	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-99.6	137.4	171.6	-61.1	-175.4	-167.2	0	0	108.7	P200 M204	P200-M202 PolarHBondContact O-N 3.27Å; P200-M202 VanDerWaalsContact O-N 3.08Å; M202-M204 PolarHBondContact O-N 3.35Å
203	N	80	Confident	72.8	Confident	165 Å²	165	144.1 Å²	144.1	88%	0.882	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.2	123.9	173.7	-67.7	-14.2	0	0	0	109
204	M	78.1	Confident	72.7	Confident	152 Å²	152	143.1 Å²	143.1	75%	0.749	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81	128.9	175.2	-147.5	-179.6	-42.4	0	0	108.3	M202 I206	M202-M204 PolarHBondContact O-N 3.35Å; M204-I206 PolarHBondContact O-N 3.14Å; M204-I206 VanDerWaalsContact O-N 3.14Å
205	P	74.3	Confident	72.5	Confident	123 Å²	123	140.5 Å²	140.5	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-64.8	117.8	175.9	25.1	-30.5	0	0	0	108.9	G207	P205-G207 PolarHBondContact O-N 3.48Å
206	I	68	Low	72.9	Confident	164 Å²	164	141.6 Å²	141.6	84%	0.841	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78	117.1	168.2	-58.6	166.1	0	0	0	105	M204 S208	M204-I206 PolarHBondContact O-N 3.14Å; M204-I206 VanDerWaalsContact O-N 3.14Å; I206-S208 PolarHBondContact O-N 3.42Å
207	G	65.9	Low	73.2	Confident	64 Å²	64	138.2 Å²	138.2	66%	0.66	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-55.4	134.9	177.6	0	0	0	0	0	110.8	P205 V209	P205-G207 PolarHBondContact O-N 3.48Å; G207-V209 PolarHBondContact O-N 3.42Å
208	S	61.5	Low	73.3	Confident	123 Å²	123	141.1 Å²	141.1	86%	0.86	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-58.6	129.5	174.1	-37	0	0	0	0	109.7	I206	I206-S208 PolarHBondContact O-N 3.42Å
209	V	58.2	Low	73.3	Confident	215 Å²	215	142.9 Å²	142.9	100%	1.303	84%	0.84	S	S	*	*			trans	-64.3	0	170.8	-174	0	0	0	0	110.3	G207	G207-V209 PolarHBondContact O-N 3.42Å

Retrieved 209 of 209 residues in 1440.4 ms (Link to these results)

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