G4LYK7_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4LYK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.5	Low	62	Low	194 Å²	194	125.7 Å²	125.7	96%	0.956	65%	0.646	S	S	*	*				0	-45	0	-85.6	175.6	121	0	0	113.2	T3 I4	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.44Å
2	Y	58.2	Low	61.8	Low	207 Å²	207	122.7 Å²	122.7	81%	0.812	64%	0.644	S	S	*	*	H	α-helix	trans	-56.4	-28.9	179.5	-65.3	-79.5	0	0	0	115.8	R6	Y2-R6 WeakPolarHBondContact O-CB 3.34Å; Y2-R6 PolarHBondContact O-N 3.1Å; Y2-R6 VanDerWaalsContact O-N 3.11Å
3	T	64.3	Low	61.6	Low	103 Å²	103	119.5 Å²	119.5	63%	0.632	64%	0.638	S	S	*	*	H	α-helix	trans	-72.2	-31.7	-179.8	-20.4	0	0	0	0	113.6	M1 N7	M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.93Å; M1-T3 VanDerWaalsContact O-N 3.16Å; T3-N7 VanDerWaalsContact O-CG 3.31Å; T3-N7 PolarHBondContact O-N 3.25Å; T3-N7 PolarHBondContact O-ND2 3.45Å
4	I	65.5	Low	61	Low	133 Å²	133	124.3 Å²	124.3	68%	0.682	65%	0.65	S	S	*	*	H	α-helix	trans	-76.3	-41.9	-179.6	-61.8	174	0	0	0	109.8	M1 R6 N7 A8	M1-I4 PolarHBondContact O-N 3.44Å; I4-R6 PolarHBondContact O-N 3.22Å; I4-N7 PolarHBondContact O-N 2.95Å; I4-A8 PolarHBondContact O-N 3.07Å
5	L	64.5	Low	60.4	Low	121 Å²	121	128.5 Å²	128.5	63%	0.634	66%	0.656	S	S	*	*	H	α-helix	trans	-65.3	-36.5	175.3	-74.3	164.2	0	0	0	112.3	N7 A8 A9	L5-N7 PolarHBondContact O-N 3.47Å; L5-A8 PolarHBondContact O-N 3.46Å; L5-A9 WeakPolarHBondContact O-CB 3.41Å; L5-A9 PolarHBondContact O-N 3.26Å
6	R	64.7	Low	59.7	Low	182 Å²	182	126.7 Å²	126.7	69%	0.687	66%	0.659	S	S	*	*	H	α-helix	trans	-66.2	-36.9	175.9	-159.3	176.1	-163.5	-109.7	3.8	112.5	Y2 I4 L10	Y2-R6 WeakPolarHBondContact O-CB 3.34Å; Y2-R6 PolarHBondContact O-N 3.1Å; Y2-R6 VanDerWaalsContact O-N 3.11Å; I4-R6 PolarHBondContact O-N 3.22Å; R6-L10 WeakPolarHBondContact O-CG 3.37Å; R6-L10 PolarHBondContact O-N 2.94Å; R6-L10 VanDerWaalsContact O-N 3.11Å
7	N	64.4	Low	58.8	Low	99 Å²	99	122.4 Å²	122.4	53%	0.529	65%	0.653	S	S	.	*	H	α-helix	trans	-72.5	-33.8	176.3	-70.5	-18	0	0	0	112.1	T3 I4 L5 L11	T3-N7 VanDerWaalsContact O-CG 3.31Å; T3-N7 PolarHBondContact O-N 3.25Å; T3-N7 PolarHBondContact O-ND2 3.45Å; I4-N7 PolarHBondContact O-N 2.95Å; L5-N7 PolarHBondContact O-N 3.47Å; N7-L11 PolarHBondContact O-N 2.94Å; N7-L11 VanDerWaalsContact O-N 3.14Å
8	A	62.9	Low	58.1	Low	59 Å²	59	125.8 Å²	125.8	49%	0.488	67%	0.67	S	S	.	*	H	α-helix	trans	-68.2	-40.5	173.2	0	0	0	0	0	112.5	I4 L5 L11 S12	I4-A8 PolarHBondContact O-N 3.07Å; L5-A8 PolarHBondContact O-N 3.46Å; A8-L11 PolarHBondContact O-N 3.02Å; A8-S12 PolarHBondContact O-N 2.86Å
9	A	62.7	Low	57.7	Low	63 Å²	63	127.4 Å²	127.4	52%	0.521	67%	0.673	S	S	.	*	H	α-helix	trans	-66.6	-36.5	176.2	0	0	0	0	0	112.9	L5 S12 S13	L5-A9 WeakPolarHBondContact O-CB 3.41Å; L5-A9 PolarHBondContact O-N 3.26Å; A9-S12 PolarHBondContact O-N 3.31Å; A9-S13 PolarHBondContact O-N 2.98Å
10	L	59.2	Low	57.1	Low	103 Å²	103	125.1 Å²	125.1	54%	0.539	67%	0.666	S	S	.	*	H	α-helix	trans	-70	-30.9	174.5	-75.1	171.4	0	0	0	112.9	R6	R6-L10 WeakPolarHBondContact O-CG 3.37Å; R6-L10 PolarHBondContact O-N 2.94Å; R6-L10 VanDerWaalsContact O-N 3.11Å
11	L	59.4	Low	56.8	Low	119 Å²	119	124.3 Å²	124.3	62%	0.623	67%	0.665	S	S	*	*	H	α-helix	trans	-68.9	-44.1	171.7	-129.2	90	0	0	0	110.5	N7 A8 S13 K14 Y15	N7-L11 PolarHBondContact O-N 2.94Å; N7-L11 VanDerWaalsContact O-N 3.14Å; A8-L11 PolarHBondContact O-N 3.02Å; L11-S13 PolarHBondContact O-N 3.4Å; L11-K14 PolarHBondContact O-N 2.91Å; L11-Y15 WeakPolarHBondContact O-CD2 3.36Å
12	S	59.5	Low	56.5	Low	89 Å²	89	124.9 Å²	124.9	62%	0.622	66%	0.657	S	S	*	*	H	α-helix	trans	-65.1	-36.6	-179.5	-168.6	0	0	0	0	113.3	A8 A9 K14 Y15	A8-S12 PolarHBondContact O-N 2.86Å; A9-S12 PolarHBondContact O-N 3.31Å; S12-K14 VanDerWaalsContact C-N 3.29Å; S12-K14 PolarHBondContact O-N 3.27Å; S12-Y15 PolarHBondContact O-N 2.92Å
13	S	58.9	Low	56.2	Low	81 Å²	81	117.8 Å²	117.8	57%	0.566	64%	0.638	S	S	*	*	H	α-helix	trans	-73.6	-16.4	-180	-173.8	0	0	0	0	113.8	A9 L11 Y15 S16	A9-S13 PolarHBondContact O-N 2.98Å; L11-S13 PolarHBondContact O-N 3.4Å; S13-Y15 VanDerWaalsContact C-N 3.31Å; S13-S16 PolarHBondContact O-OG 3.24Å
14	K	53.4	Low	55.5	Low	187 Å²	187	118 Å²	118	81%	0.813	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-5.8	175.3	-90.1	-170.9	177.5	-173.9	0	113.9	L11 S12	L11-K14 PolarHBondContact O-N 2.91Å; S12-K14 VanDerWaalsContact C-N 3.29Å; S12-K14 PolarHBondContact O-N 3.27Å
15	Y	51.6	Low	54.7	Low	187 Å²	187	116.3 Å²	116.3	73%	0.733	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	7.8	177.2	-69.7	-79.1	0	0	0	113.8	L11 S12 S13 G17	L11-Y15 WeakPolarHBondContact O-CD2 3.36Å; S12-Y15 PolarHBondContact O-N 2.92Å; S13-Y15 VanDerWaalsContact C-N 3.31Å; Y15-G17 PolarHBondContact O-N 3.47Å
16	S	48.9	Very low	53.9	Low	100 Å²	100	116.8 Å²	116.8	70%	0.699	62%	0.624	S	S	*	*			trans	-80.8	69	169.1	61.5	0	0	0	0	110.6	S13	S13-S16 PolarHBondContact O-OG 3.24Å
17	G	44.9	Very low	53.3	Low	54 Å²	54	111.3 Å²	111.3	56%	0.557	61%	0.611	S	S	*	*	S	Bend	trans	-159.9	91.1	173.5	0	0	0	0	0	106.5	Y15 Q19	Y15-G17 PolarHBondContact O-N 3.47Å; G17-Q19 PolarHBondContact O-N 3.27Å
18	L	46.3	Very low	52.6	Low	184 Å²	184	111 Å²	111	96%	0.963	61%	0.609	S	S	*	*			trans	-56.6	83.1	175.6	-85.5	92	0	0	0	110
19	Q	50.6	Low	52.1	Low	155 Å²	155	113.6 Å²	113.6	72%	0.724	61%	0.614	S	S	*	*			trans	-92.6	130.6	154.7	-76	-76.6	-37.6	0	0	105.8	G17 V21	G17-Q19 PolarHBondContact O-N 3.27Å; Q19-V21 PolarHBondContact O-N 2.98Å
20	P	45.9	Very low	51.6	Low	82 Å²	82	119.1 Å²	119.1	53%	0.532	63%	0.626	S	S	.	*			trans	-63.4	118.9	-169	26.9	-33.1	0	0	0	108.8	R22 S23	P20-R22 HydrophobicContact CB-CB 4.42Å; P20-R22 PolarHBondContact O-N 3.38Å; P20-S23 PolarHBondContact O-N 2.89Å
21	V	50.8	Low	51.1	Low	109 Å²	109	122 Å²	122	66%	0.661	64%	0.636	S	S	*	*	H	α-helix	trans	-55.8	-10.9	172.9	178.9	0	0	0	0	111.8	Q19 S23	Q19-V21 PolarHBondContact O-N 2.98Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3.38Å
22	R	49.3	Very low	50.3	Low	206 Å²	206	122.1 Å²	122.1	78%	0.777	63%	0.634	S	S	*	*	H	α-helix	trans	-60	-30.9	164.7	-89.5	-178.3	167.5	179.6	-3.3	114.2	P20 H26	P20-R22 HydrophobicContact CB-CB 4.42Å; P20-R22 PolarHBondContact O-N 3.38Å; R22-H26 PolarHBondContact O-CD2 3.04Å
23	S	52	Low	49.2	Very low	58 Å²	58	129.2 Å²	129.2	41%	0.406	65%	0.647	S	S	.	*	H	α-helix	trans	-80.9	-30.7	-177.7	91.1	0	0	0	0	113.4	P20 V21 I25 H26 T27	P20-S23 PolarHBondContact O-N 2.89Å; V21-S23 VanDerWaalsContact C-N 3.32Å; V21-S23 PolarHBondContact O-N 3.38Å; S23-I25 VanDerWaalsContact C-N 3.35Å; S23-H26 PolarHBondContact O-N 3.23Å; S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 2.93Å; S23-T27 PolarHBondContact O-OG1 2.96Å
24	L	49.6	Very low	48.2	Very low	107 Å²	107	130.6 Å²	130.6	56%	0.56	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-29.8	178.8	-104.9	159.3	0	0	0	112.8	T27 L28	L24-T27 WeakPolarHBondContact CA-OG1 3.25Å; L24-T27 PolarHBondContact O-OG1 3.3Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-L28 VanDerWaalsContact O-N 3.1Å
25	I	48.5	Very low	47.9	Very low	97 Å²	97	130.8 Å²	130.8	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-70.2	-40.5	171.5	-62.8	169.2	0	0	0	109.7	S23 I29	S23-I25 VanDerWaalsContact C-N 3.35Å; I25-I29 HydrophobicContact CG2-CD1 3.57Å; I25-I29 HydrophobicContact CG2-CG1 4.47Å; I25-I29 VanDerWaalsContact O-CB 3.27Å; I25-I29 WeakPolarHBondContact O-CB 3.49Å; I25-I29 VanDerWaalsContact O-CD1 3.25Å; I25-I29 WeakPolarHBondContact O-CD1 3.45Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 3.35Å
26	H	48	Very low	47.4	Very low	131 Å²	131	126.6 Å²	126.6	61%	0.606	65%	0.648	S	S	*	*	H	α-helix	trans	-72.4	-27.3	177.2	-75.5	-64	0	0	0	114.1	R22 S23 K30	R22-H26 PolarHBondContact O-CD2 3.04Å; S23-H26 PolarHBondContact O-N 3.23Å; H26-K30 WeakPolarHBondContact O-CB 3.49Å; H26-K30 PolarHBondContact O-N 3.28Å
27	T	52.6	Low	47.5	Very low	68 Å²	68	127.6 Å²	127.6	42%	0.417	65%	0.65	S	S	.	*	H	α-helix	trans	-82.1	-34.2	176	53.3	0	0	0	0	112.8	S23 L24 K30 Q31	S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 2.93Å; S23-T27 PolarHBondContact O-OG1 2.96Å; L24-T27 WeakPolarHBondContact CA-OG1 3.25Å; L24-T27 PolarHBondContact O-OG1 3.3Å; T27-K30 PolarHBondContact O-N 3.05Å; T27-Q31 WeakPolarHBondContact O-CB 3.24Å; T27-Q31 WeakPolarHBondContact O-CG 3.43Å; T27-Q31 PolarHBondContact O-N 3.48Å
28	L	49.9	Very low	47.5	Very low	92 Å²	92	133.8 Å²	133.8	48%	0.482	66%	0.662	S	S	.	*	H	α-helix	trans	-70	-35.3	170.3	-85.1	168.7	0	0	0	112.4	L24 K30 Q31 H32	L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.03Å; L24-L28 VanDerWaalsContact O-N 3.1Å; L28-K30 PolarHBondContact O-N 3.09Å; L28-Q31 PolarHBondContact O-N 3.43Å; L28-H32 WeakPolarHBondContact O-CB 3.39Å; L28-H32 PolarHBondContact O-N 2.83Å
29	I	52.7	Low	47.6	Very low	114 Å²	114	131.3 Å²	131.3	59%	0.585	66%	0.657	S	S	*	*	H	α-helix	trans	-67.8	-23.9	172.1	-70	167.6	0	0	0	111.9	I25	I25-I29 HydrophobicContact CG2-CD1 3.57Å; I25-I29 HydrophobicContact CG2-CG1 4.47Å; I25-I29 VanDerWaalsContact O-CB 3.27Å; I25-I29 WeakPolarHBondContact O-CB 3.49Å; I25-I29 VanDerWaalsContact O-CD1 3.25Å; I25-I29 WeakPolarHBondContact O-CD1 3.45Å; I25-I29 WeakPolarHBondContact O-CG1 3.35Å; I25-I29 PolarHBondContact O-N 3.35Å
30	K	51.3	Low	47.2	Very low	179 Å²	179	126.1 Å²	126.1	78%	0.778	65%	0.645	S	S	*	*	H	α-helix	trans	-89.3	-25.2	176.7	-153.6	174.8	-173.3	-175.6	0	113.3	H26 T27 L28	H26-K30 WeakPolarHBondContact O-CB 3.49Å; H26-K30 PolarHBondContact O-N 3.28Å; T27-K30 PolarHBondContact O-N 3.05Å; L28-K30 PolarHBondContact O-N 3.09Å
31	Q	49.3	Very low	47	Very low	162 Å²	162	132.2 Å²	132.2	76%	0.757	66%	0.663	S	S	*	*	H	α-helix	trans	-91.8	-28.7	177.2	-72.5	-171.8	-36.1	0	0	113.2	T27 L28 R33	T27-Q31 WeakPolarHBondContact O-CB 3.24Å; T27-Q31 WeakPolarHBondContact O-CG 3.43Å; T27-Q31 PolarHBondContact O-N 3.48Å; L28-Q31 PolarHBondContact O-N 3.43Å; Q31-R33 VanDerWaalsContact C-N 3.34Å; Q31-R33 PolarHBondContact O-N 3.32Å
32	H	42.9	Very low	46.8	Very low	123 Å²	123	133.1 Å²	133.1	57%	0.569	67%	0.669	S	S	*	*			trans	-92.8	62.1	166.8	-85.5	-86.5	0	0	0	111	L28 L34	L28-H32 WeakPolarHBondContact O-CB 3.39Å; L28-H32 PolarHBondContact O-N 2.83Å; H32-L34 WeakPolarHBondContact ND1-CD1 3.46Å; H32-L34 PolarHBondContact O-N 2.88Å
33	R	35.9	Very low	46.8	Very low	238 Å²	238	130.7 Å²	130.7	90%	0.898	67%	0.669	S	S	*	*			trans	-78.3	50.5	159.7	-144.2	-176.8	-173.2	-157.7	1.6	109.5	Q31	Q31-R33 VanDerWaalsContact C-N 3.34Å; Q31-R33 PolarHBondContact O-N 3.32Å
34	L	38.4	Very low	46.7	Very low	110 Å²	110	133.2 Å²	133.2	58%	0.576	68%	0.684	S	S	*	*			trans	-90.1	99.9	171	-73.5	176.4	0	0	0	107.2	H32	H32-L34 WeakPolarHBondContact ND1-CD1 3.46Å; H32-L34 PolarHBondContact O-N 2.88Å
35	Y	46.3	Very low	46.9	Very low	190 Å²	190	132.4 Å²	132.4	75%	0.745	69%	0.688	S	S	*	*			trans	54.4	77.1	157.7	-48.8	-75.8	0	0	0	116.8	V37	Y35-V37 PolarHBondContact O-N 3.33Å
36	A	41.7	Very low	47.2	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	68%	0.683	S	S	*	*			trans	-67.1	85	146.3	0	0	0	0	0	107.9	F38	A36-F38 PolarHBondContact O-N 3.28Å
37	V	51.1	Low	47.4	Very low	122 Å²	122	132.2 Å²	132.2	74%	0.739	70%	0.695	S	S	*	*			trans	-74.3	79.8	170.8	-174.8	0	0	0	0	107.5	Y35	Y35-V37 PolarHBondContact O-N 3.33Å
38	F	44.8	Very low	47.6	Very low	184 Å²	184	132.4 Å²	132.4	81%	0.807	70%	0.696	S	S	*	*			trans	-63.5	128.7	161.1	-116.4	-94.9	0	0	0	107.7	A36 G40	A36-F38 PolarHBondContact O-N 3.28Å; F38-G40 PolarHBondContact O-N 3.14Å
39	P	47.4	Very low	48	Very low	131 Å²	131	131 Å²	131	85%	0.851	69%	0.694	S	S	*	*			trans	-75.6	64.3	169.8	32.9	-33.4	0	0	0	108.9
40	G	43.1	Very low	48.1	Very low	46 Å²	46	130 Å²	130	47%	0.474	69%	0.693	S	S	.	*			trans	-111.7	70.7	178.2	0	0	0	0	0	109.6	F38 T42	F38-G40 PolarHBondContact O-N 3.14Å; G40-T42 PolarHBondContact O-N 3.31Å
41	K	42.1	Very low	48.3	Very low	211 Å²	211	126.2 Å²	126.2	92%	0.917	69%	0.685	S	S	*	*	S	Bend	trans	45.2	53.7	149.2	-130.4	173.1	-169.5	171.9	0	116.4
42	T	45.8	Very low	48.7	Very low	128 Å²	128	123.5 Å²	123.5	79%	0.785	68%	0.679	S	S	*	*			trans	-131.9	62.5	159.2	62.5	0	0	0	0	109.7	G40 P44	G40-T42 PolarHBondContact O-N 3.31Å; T42-P44 WeakPolarHBondContact O-CD 3.29Å
43	I	49.9	Very low	49.3	Very low	154 Å²	154	119.9 Å²	119.9	79%	0.79	67%	0.667	S	S	*	*			trans	-69.3	110.9	148.7	-58.4	163	0	0	0	102.5	S45	I43-S45 PolarHBondContact O-N 3Å
44	P	49.7	Very low	50.1	Low	111 Å²	111	118.4 Å²	118.4	72%	0.721	66%	0.662	S	S	*	*			trans	-56.1	114.4	167	25	-30	0	0	0	104.2	T42	T42-P44 WeakPolarHBondContact O-CD 3.29Å
45	S	54	Low	50.9	Low	91 Å²	91	121.5 Å²	121.5	64%	0.636	68%	0.679	S	S	*	*			trans	-43.3	124.4	170.7	47.8	0	0	0	0	105.3	I43 L47	I43-S45 PolarHBondContact O-N 3Å; S45-L47 PolarHBondContact O-N 3.12Å
46	P	54.8	Low	51.4	Low	61 Å²	61	116.8 Å²	116.8	40%	0.396	68%	0.68	S	S	.	*			trans	-49.4	122.2	175.7	21.3	-31	0	0	0	104.5	V48 V66	P46-V48 HydrophobicContact CG-CG2 4.29Å; P46-V48 WeakPolarHBondContact O-CG2 3.36Å; P46-V48 PolarHBondContact O-N 3.06Å; P46-V66 HydrophobicContact CB-CG2 4.07Å
47	L	52.9	Low	52	Low	162 Å²	162	117.4 Å²	117.4	85%	0.848	68%	0.678	S	S	*	*			trans	-62.3	87.4	178	-92.5	163.3	0	0	0	105.4	S45 S49	S45-L47 PolarHBondContact O-N 3.12Å; L47-S49 PolarHBondContact O-N 2.9Å
48	V	56.4	Low	52.6	Low	72 Å²	72	120.3 Å²	120.3	44%	0.436	68%	0.683	S	S	.	*			trans	-73.8	81.1	173.2	-179.7	0	0	0	0	103.8	P46 T50 P63	P46-V48 HydrophobicContact CG-CG2 4.29Å; P46-V48 WeakPolarHBondContact O-CG2 3.36Å; P46-V48 PolarHBondContact O-N 3.06Å; V48-T50 HydrophobicContact CG1-CG2 3.98Å; V48-T50 PolarHBondContact O-N 2.93Å; V48-T50 VanDerWaalsContact O-N 3.13Å; V48-P63 HydrophobicContact CG1-CB 3.83Å
49	S	57	Low	53.8	Low	63 Å²	63	115.6 Å²	115.6	44%	0.441	69%	0.686	S	S	.	*	B	Isolated β-bridge	trans	-74.3	102.7	165.6	58.1	0	0	0	0	106.5	L47 V51	L47-S49 PolarHBondContact O-N 2.9Å; S49-V51 PolarHBondContact O-N 3.34Å
50	T	55.5	Low	54.7	Low	93 Å²	93	120.3 Å²	120.3	57%	0.571	69%	0.687	S	S	*	*			trans	-72.4	82	169.3	56.1	0	0	0	0	107.9	V48	V48-T50 HydrophobicContact CG1-CG2 3.98Å; V48-T50 PolarHBondContact O-N 2.93Å; V48-T50 VanDerWaalsContact O-N 3.13Å
51	V	56	Low	56	Low	100 Å²	100	122 Å²	122	61%	0.606	69%	0.688	S	S	*	*			trans	-82.9	118.4	165.2	-177.5	0	0	0	0	107.3	S49 S53	S49-V51 PolarHBondContact O-N 3.34Å; V51-S53 PolarHBondContact O-N 3.35Å; V51-S53 VanDerWaalsContact O-N 3.07Å
52	V	56.5	Low	57.5	Low	105 Å²	105	117.6 Å²	117.6	64%	0.636	67%	0.673	S	S	*	*			trans	-49.1	112.2	178.2	177.1	0	0	0	0	109.6
53	S	56.8	Low	58.9	Low	46 Å²	46	114.8 Å²	114.8	32%	0.322	66%	0.657	S	S	.	*			trans	-98.7	101.7	177.7	-170.5	0	0	0	0	108.7	V51	V51-S53 PolarHBondContact O-N 3.35Å; V51-S53 VanDerWaalsContact O-N 3.07Å
54	R	53.2	Low	60	Low	208 Å²	208	114.6 Å²	114.6	79%	0.785	65%	0.65	S	S	*	*			trans	83.8	116.7	155.8	-50.7	172.6	-177.2	-179.7	-3.9	117.3	A56	R54-A56 PolarHBondContact O-N 3.27Å
55	N	53.3	Low	61.3	Low	174 Å²	174	117.3 Å²	117.3	93%	0.93	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	41.7	176.1	-70.9	-16.2	0	0	0	114.5
56	A	57.3	Low	62.7	Low	92 Å²	92	117.5 Å²	117.5	76%	0.76	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.8	1.7	-170.8	0	0	0	0	0	116.8	R54	R54-A56 PolarHBondContact O-N 3.27Å
57	S	55.2	Low	64.3	Low	111 Å²	111	119.5 Å²	119.5	78%	0.776	66%	0.659	S	S	*	*	S	Bend	trans	-163.7	144.2	176.2	-174.5	0	0	0	0	113	G59	S57-G59 PolarHBondContact O-N 3.46Å
58	H	63.2	Low	65.9	Low	184 Å²	184	114.1 Å²	114.1	85%	0.852	63%	0.631	S	S	*	*	S	Bend	trans	-36.9	111.5	-174.1	-100.2	-80	0	0	0	115.9	R60	H58-R60 PolarHBondContact O-N 2.92Å
59	G	69.3	Low	67.6	Low	84 Å²	84	118.5 Å²	118.5	87%	0.866	64%	0.641	S	S	*	*	S	Bend	trans	60.3	-9.3	149.4	0	0	0	0	0	120.3	S57	S57-G59 PolarHBondContact O-N 3.46Å
60	R	68	Low	69.3	Low	230 Å²	230	122 Å²	122	87%	0.868	65%	0.652	S	S	*	*			trans	-96.6	112.9	-177.4	-69.9	175.4	77.5	98.1	-5.1	110.5	H58	H58-R60 PolarHBondContact O-N 2.92Å
61	T	69.7	Low	70.9	Confident	83 Å²	83	120.3 Å²	120.3	51%	0.509	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-90	135.9	172.5	53.1	0	0	0	0	110.5
62	I	73.8	Confident	72.7	Confident	118 Å²	118	122.5 Å²	122.5	61%	0.605	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-89.3	116.4	173	-59.2	172.7	0	0	0	107.9	K64	I62-K64 PolarHBondContact O-N 2.88Å
63	P	74.6	Confident	74.6	Confident	68 Å²	68	119.7 Å²	119.7	44%	0.442	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-69.2	129.8	177.7	27.3	-32.9	0	0	0	110.6	V48 R65	V48-P63 HydrophobicContact CG1-CB 3.83Å; P63-R65 PolarHBondContact O-N 3.4Å; P63-R65 VanDerWaalsContact O-N 3.12Å
64	K	72.6	Confident	76.4	Confident	150 Å²	150	123.2 Å²	123.2	65%	0.652	63%	0.634	S	S	*	*	B	Isolated β-bridge	trans	-77.9	94.7	169.2	-170	178.3	-178.6	-179.4	0	108.2	I62	I62-K64 PolarHBondContact O-N 2.88Å
65	R	77.5	Confident	78.5	Confident	168 Å²	168	119.2 Å²	119.2	63%	0.634	62%	0.623	S	S	*	*			trans	-101.8	153.2	171.9	63.9	176.7	-178.9	-177.6	0.4	110.8	P63	P63-R65 PolarHBondContact O-N 3.4Å; P63-R65 VanDerWaalsContact O-N 3.12Å
66	V	83.9	Confident	80.5	Confident	95 Å²	95	116 Å²	116	58%	0.576	61%	0.606	S	S	*	*			trans	-64.8	160.1	166.3	-66.7	0	0	0	0	110.2	P46 D68	P46-V66 HydrophobicContact CB-CG2 4.07Å; V66-D68 PolarHBondContact O-N 2.97Å; V66-D68 VanDerWaalsContact O-N 3.16Å
67	S	87.5	Confident	82.4	Confident	103 Å²	103	115.5 Å²	115.5	72%	0.72	59%	0.59	S	S	*	*			trans	-72.9	107.1	177	-177.1	0	0	0	0	110.3	Y69	S67-Y69 PolarHBondContact O-N 2.95Å
68	D	87.5	Confident	84.4	Confident	49 Å²	49	112.7 Å²	112.7	26%	0.262	57%	0.568	S	S	.	*			trans	-81.6	-2.6	172.8	-56.8	-23.6	0	0	0	112.5	V66 M70 S71 R72	V66-D68 PolarHBondContact O-N 2.97Å; V66-D68 VanDerWaalsContact O-N 3.16Å; D68-M70 PolarHBondContact O-N 3.19Å; D68-S71 PolarHBondContact O-N 3.06Å; D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 3.16Å; D68-R72 IonicContact OD2-NH2 3.9Å
69	Y	91.1	Very high	86	Confident	165 Å²	165	109.4 Å²	109.4	65%	0.647	55%	0.553	S	S	*	*	H	α-helix	trans	-59.1	-49.8	-171.7	175.1	-99.3	0	0	0	111.9	S67 S71 R72 V73	S67-Y69 PolarHBondContact O-N 2.95Å; Y69-S71 VanDerWaalsContact C-N 3.31Å; Y69-S71 PolarHBondContact O-N 3.48Å; Y69-R72 PolarHBondContact O-N 3.12Å; Y69-V73 HydrophobicContact CD1-CG2 4.37Å; Y69-V73 HydrophobicContact CD2-CG2 4.35Å; Y69-V73 HydrophobicContact CE1-CG2 3.97Å; Y69-V73 HydrophobicContact CE2-CG2 3.94Å; Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 2.79Å
70	M	92.4	Very high	87.4	Confident	136 Å²	136	111.1 Å²	111.1	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-63.5	-38.2	-179	-173.7	61.3	76.6	0	0	111.9	D68 F74	D68-M70 PolarHBondContact O-N 3.19Å; M70-F74 VanDerWaalsContact O-CB 3.28Å; M70-F74 WeakPolarHBondContact O-CB 3.43Å; M70-F74 PolarHBondContact O-N 3.45Å
71	S	89.3	Confident	88.8	Confident	58 Å²	58	107.6 Å²	107.6	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-42.3	178	177.9	0	0	0	0	111.8	D68 Y69 F74 F75	D68-S71 PolarHBondContact O-N 3.06Å; Y69-S71 VanDerWaalsContact C-N 3.31Å; Y69-S71 PolarHBondContact O-N 3.48Å; S71-F74 PolarHBondContact O-N 3.34Å; S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.15Å; S71-F75 WeakPolarHBondContact OG-CD2 3.45Å; S71-F75 VanDerWaalsContact OG-CE2 3.22Å; S71-F75 WeakPolarHBondContact OG-CE2 3.35Å
72	R	94.7	Very high	90.1	Very high	145 Å²	145	108 Å²	108	55%	0.547	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-51.6	175.8	-69.8	170.6	-170.2	-90.6	-4.6	110.9	D68 Y69 F74 F75 D76	D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 3.16Å; D68-R72 IonicContact OD2-NH2 3.9Å; Y69-R72 PolarHBondContact O-N 3.12Å; R72-F74 VanDerWaalsContact C-N 3.28Å; R72-F74 PolarHBondContact O-N 2.88Å; R72-F75 PolarHBondContact O-N 3.25Å; R72-D76 WeakPolarHBondContact O-CB 2.87Å; R72-D76 PolarHBondContact O-N 2.88Å
73	V	95.3	Very high	91.2	Very high	47 Å²	47	105.7 Å²	105.7	29%	0.285	51%	0.51	S	S	.	.	H	α-helix	trans	-57.1	-42	176.9	173	0	0	0	0	111.5	Y69 N77	Y69-V73 HydrophobicContact CD1-CG2 4.37Å; Y69-V73 HydrophobicContact CD2-CG2 4.35Å; Y69-V73 HydrophobicContact CE1-CG2 3.97Å; Y69-V73 HydrophobicContact CE2-CG2 3.94Å; Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 2.79Å; V73-N77 WeakPolarHBondContact O-CB 3.45Å; V73-N77 PolarHBondContact O-N 2.79Å; V73-N77 PolarHBondContact O-ND2 2.92Å; V73-N77 VanDerWaalsContact O-ND2 3.07Å
74	F	96.2	Very high	92.3	Very high	120 Å²	120	107.6 Å²	107.6	53%	0.526	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-50.6	176.5	174.7	-100	0	0	0	112.2	M70 S71 R72 N77 V78	M70-F74 VanDerWaalsContact O-CB 3.28Å; M70-F74 WeakPolarHBondContact O-CB 3.43Å; M70-F74 PolarHBondContact O-N 3.45Å; S71-F74 PolarHBondContact O-N 3.34Å; R72-F74 VanDerWaalsContact C-N 3.28Å; R72-F74 PolarHBondContact O-N 2.88Å; F74-N77 PolarHBondContact O-N 2.87Å; F74-V78 HydrophobicContact CD1-CG2 4.34Å; F74-V78 HydrophobicContact CD2-CG2 4.31Å; F74-V78 HydrophobicContact CE1-CG2 3.94Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CZ-CG2 3.7Å; F74-V78 WeakPolarHBondContact O-CB 3.35Å; F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.42Å
75	F	95.9	Very high	93.4	Very high	123 Å²	123	102.5 Å²	102.5	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-69.2	-34.6	-179	-72.7	-59.5	0	0	0	112.9	S71 R72 V78 H79	S71-F75 WeakPolarHBondContact O-CD2 3.25Å; S71-F75 PolarHBondContact O-N 3.15Å; S71-F75 WeakPolarHBondContact OG-CD2 3.45Å; S71-F75 VanDerWaalsContact OG-CE2 3.22Å; S71-F75 WeakPolarHBondContact OG-CE2 3.35Å; R72-F75 PolarHBondContact O-N 3.25Å; F75-V78 PolarHBondContact O-N 2.72Å; F75-H79 WeakPolarHBondContact O-CB 3.31Å; F75-H79 PolarHBondContact O-N 2.93Å
76	D	96.7	Very high	94.4	Very high	108 Å²	108	98.6 Å²	98.6	58%	0.578	50%	0.497	S	S	*	.	H	α-helix	trans	-63.2	-44.1	174.3	-66.8	-21.3	0	0	0	110.5	R72 F80	R72-D76 WeakPolarHBondContact O-CB 2.87Å; R72-D76 PolarHBondContact O-N 2.88Å; D76-F80 VanDerWaalsContact O-CB 3.32Å; D76-F80 WeakPolarHBondContact O-CB 3.48Å; D76-F80 PolarHBondContact O-N 3.39Å
77	N	97.1	Very high	95	Very high	81 Å²	81	97.6 Å²	97.6	43%	0.433	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-48	175	-74.3	-32.1	0	0	0	112	V73 F74 H79 F80 Y81	V73-N77 WeakPolarHBondContact O-CB 3.45Å; V73-N77 PolarHBondContact O-N 2.79Å; V73-N77 PolarHBondContact O-ND2 2.92Å; V73-N77 VanDerWaalsContact O-ND2 3.07Å; F74-N77 PolarHBondContact O-N 2.87Å; N77-H79 VanDerWaalsContact C-N 3.35Å; N77-H79 PolarHBondContact O-N 3.27Å; N77-F80 PolarHBondContact O-N 2.97Å; N77-Y81 WeakPolarHBondContact O-CD2 3.14Å; N77-Y81 PolarHBondContact O-N 3.11Å
78	V	97.2	Very high	95.5	Very high	52 Å²	52	96.1 Å²	96.1	32%	0.315	48%	0.479	S	S	.	.	H	α-helix	trans	-59.9	-46.2	178.3	167.7	0	0	0	0	110.9	F74 F75 F80 Y81 I82	F74-V78 HydrophobicContact CD1-CG2 4.34Å; F74-V78 HydrophobicContact CD2-CG2 4.31Å; F74-V78 HydrophobicContact CE1-CG2 3.94Å; F74-V78 HydrophobicContact CE2-CG2 3.9Å; F74-V78 HydrophobicContact CZ-CG2 3.7Å; F74-V78 WeakPolarHBondContact O-CB 3.35Å; F74-V78 VanDerWaalsContact O-CG2 3.31Å; F74-V78 WeakPolarHBondContact O-CG2 3.43Å; F74-V78 PolarHBondContact O-N 3.42Å; F75-V78 PolarHBondContact O-N 2.72Å; V78-F80 VanDerWaalsContact C-N 3.34Å; V78-F80 PolarHBondContact O-N 3.42Å; V78-Y81 PolarHBondContact O-N 3Å; V78-I82 HydrophobicContact CG1-CD1 3.56Å; V78-I82 HydrophobicContact CG1-CG1 4.36Å; V78-I82 WeakPolarHBondContact O-CB 3.29Å; V78-I82 VanDerWaalsContact O-CG1 3.24Å; V78-I82 WeakPolarHBondContact O-CG1 3.31Å; V78-I82 PolarHBondContact O-N 2.9Å
79	H	96.9	Very high	95.9	Very high	114 Å²	114	97.2 Å²	97.2	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-60	-45.5	177.3	-179.9	75.8	0	0	0	111.3	F75 N77 I82 M83	F75-H79 WeakPolarHBondContact O-CB 3.31Å; F75-H79 PolarHBondContact O-N 2.93Å; N77-H79 VanDerWaalsContact C-N 3.35Å; N77-H79 PolarHBondContact O-N 3.27Å; H79-I82 PolarHBondContact O-N 3.35Å; H79-M83 WeakPolarHBondContact O-CB 3.5Å; H79-M83 VanDerWaalsContact O-CG 3.31Å; H79-M83 WeakPolarHBondContact O-CG 3.38Å; H79-M83 PolarHBondContact O-N 3.22Å
80	F	97.2	Very high	96.2	Very high	121 Å²	121	95.6 Å²	95.6	53%	0.531	49%	0.487	S	S	.	.	H	α-helix	trans	-58.2	-51.2	177.9	178	-102.3	0	0	0	112.2	D76 N77 V78 I82 M83 L84	D76-F80 VanDerWaalsContact O-CB 3.32Å; D76-F80 WeakPolarHBondContact O-CB 3.48Å; D76-F80 PolarHBondContact O-N 3.39Å; N77-F80 PolarHBondContact O-N 2.97Å; V78-F80 VanDerWaalsContact C-N 3.34Å; V78-F80 PolarHBondContact O-N 3.42Å; F80-I82 PolarHBondContact O-N 3.16Å; F80-M83 PolarHBondContact O-N 3.31Å; F80-L84 WeakPolarHBondContact O-CB 3.35Å; F80-L84 PolarHBondContact O-N 3.39Å
81	Y	97.3	Very high	96.4	Very high	155 Å²	155	92.8 Å²	92.8	61%	0.608	47%	0.474	S	S	*	.	H	α-helix	trans	-68.2	-33.6	-179.3	-72.3	-65.5	0	0	0	113.3	N77 V78 G85	N77-Y81 WeakPolarHBondContact O-CD2 3.14Å; N77-Y81 PolarHBondContact O-N 3.11Å; V78-Y81 PolarHBondContact O-N 3Å; Y81-G85 PolarHBondContact O-N 3.3Å
82	I	97.6	Very high	96.7	Very high	93 Å²	93	94.7 Å²	94.7	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-67.4	-48.1	174.5	-69.8	171.5	0	0	0	110.5	V78 H79 F80 L84 G85 L86	V78-I82 HydrophobicContact CG1-CD1 3.56Å; V78-I82 HydrophobicContact CG1-CG1 4.36Å; V78-I82 WeakPolarHBondContact O-CB 3.29Å; V78-I82 VanDerWaalsContact O-CG1 3.24Å; V78-I82 WeakPolarHBondContact O-CG1 3.31Å; V78-I82 PolarHBondContact O-N 2.9Å; H79-I82 PolarHBondContact O-N 3.35Å; F80-I82 PolarHBondContact O-N 3.16Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 2.96Å; I82-G85 PolarHBondContact O-N 2.96Å; I82-L86 VanDerWaalsContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CB 3.41Å; I82-L86 PolarHBondContact O-N 2.98Å
83	M	97.3	Very high	96.8	Very high	68 Å²	68	90.4 Å²	90.4	34%	0.335	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-35.5	-179.8	-71.1	-61	132.2	0	0	111.9	H79 F80 G85 L86 V87	H79-M83 WeakPolarHBondContact O-CB 3.5Å; H79-M83 VanDerWaalsContact O-CG 3.31Å; H79-M83 WeakPolarHBondContact O-CG 3.38Å; H79-M83 PolarHBondContact O-N 3.22Å; F80-M83 PolarHBondContact O-N 3.31Å; M83-G85 PolarHBondContact O-N 2.91Å; M83-L86 HydrophobicContact CE-CD1 4.44Å; M83-L86 PolarHBondContact O-N 3.38Å; M83-V87 HydrophobicContact CB-CG2 4.5Å; M83-V87 WeakPolarHBondContact O-CB 3.48Å; M83-V87 VanDerWaalsContact O-CG2 3.28Å; M83-V87 WeakPolarHBondContact O-CG2 3.24Å; M83-V87 PolarHBondContact O-N 3.43Å
84	L	96.9	Very high	96.8	Very high	108 Å²	108	93.5 Å²	93.5	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-57.9	-34.2	175.7	-172.7	65.9	0	0	0	112.7	F80 I82 P88	F80-L84 WeakPolarHBondContact O-CB 3.35Å; F80-L84 PolarHBondContact O-N 3.39Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 2.96Å; L84-P88 WeakPolarHBondContact O-CD 3.38Å; L84-P88 WeakPolarHBondContact O-CG 3.41Å
85	G	96.7	Very high	96.8	Very high	43 Å²	43	92.7 Å²	92.7	44%	0.443	48%	0.476	S	S	.	.	H	α-helix	trans	-88.8	-38.8	174.4	0	0	0	0	0	114	Y81 I82 M83 P88 S89	Y81-G85 PolarHBondContact O-N 3.3Å; I82-G85 PolarHBondContact O-N 2.96Å; M83-G85 PolarHBondContact O-N 2.91Å; G85-P88 WeakPolarHBondContact O-CD 3.43Å; G85-P88 WeakPolarHBondContact O-CG 3.27Å; G85-S89 VanDerWaalsContact O-CB 3.31Å; G85-S89 WeakPolarHBondContact O-CB 3.17Å; G85-S89 PolarHBondContact O-N 2.94Å
86	L	97.5	Very high	96.8	Very high	87 Å²	87	88.1 Å²	88.1	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-70.3	-44.9	-174	-168.8	156.3	0	0	0	112	I82 M83 S89 F90	I82-L86 VanDerWaalsContact O-CB 3.3Å; I82-L86 WeakPolarHBondContact O-CB 3.41Å; I82-L86 PolarHBondContact O-N 2.98Å; M83-L86 HydrophobicContact CE-CD1 4.44Å; M83-L86 PolarHBondContact O-N 3.38Å; L86-S89 PolarHBondContact O-N 3.49Å; L86-F90 HydrophobicContact CD2-CB 4.38Å; L86-F90 VanDerWaalsContact O-CB 3.27Å; L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 2.91Å
87	V	97.3	Very high	96.8	Very high	73 Å²	73	86.3 Å²	86.3	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-59	-53.2	-178.1	174.9	0	0	0	0	112.4	M83 S89 F90 L91	M83-V87 HydrophobicContact CB-CG2 4.5Å; M83-V87 WeakPolarHBondContact O-CB 3.48Å; M83-V87 VanDerWaalsContact O-CG2 3.28Å; M83-V87 WeakPolarHBondContact O-CG2 3.24Å; M83-V87 PolarHBondContact O-N 3.43Å; V87-S89 PolarHBondContact O-N 2.87Å; V87-F90 PolarHBondContact O-N 3.16Å; V87-L91 HydrophobicContact CG1-CD1 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.43Å; V87-L91 PolarHBondContact O-N 3.16Å
88	P	97.4	Very high	96.6	Very high	72 Å²	72	86.1 Å²	86.1	47%	0.468	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-35.3	178.7	24.5	-33.5	0	0	0	113	L84 G85 L91 L92	L84-P88 WeakPolarHBondContact O-CD 3.38Å; L84-P88 WeakPolarHBondContact O-CG 3.41Å; G85-P88 WeakPolarHBondContact O-CD 3.43Å; G85-P88 WeakPolarHBondContact O-CG 3.27Å; P88-L91 PolarHBondContact O-N 3.42Å; P88-L92 WeakPolarHBondContact O-CB 3.39Å; P88-L92 PolarHBondContact O-N 3.46Å
89	S	96	Very high	96.5	Very high	72 Å²	72	91.6 Å²	91.6	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-44.8	175	-178.1	0	0	0	0	111.7	G85 L86 V87 L92 V93	G85-S89 VanDerWaalsContact O-CB 3.31Å; G85-S89 WeakPolarHBondContact O-CB 3.17Å; G85-S89 PolarHBondContact O-N 2.94Å; L86-S89 PolarHBondContact O-N 3.49Å; V87-S89 PolarHBondContact O-N 2.87Å; S89-L92 PolarHBondContact O-N 2.8Å; S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.26Å
90	F	97.3	Very high	96.3	Very high	131 Å²	131	91.8 Å²	91.8	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-64.2	-43.5	176.7	-176.2	-97	0	0	0	111.7	L86 V87 L92 V93 F94	L86-F90 HydrophobicContact CD2-CB 4.38Å; L86-F90 VanDerWaalsContact O-CB 3.27Å; L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 2.91Å; V87-F90 PolarHBondContact O-N 3.16Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-L92 PolarHBondContact O-N 2.93Å; F90-V93 PolarHBondContact O-N 3.44Å; F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.35Å
91	L	97.1	Very high	96	Very high	77 Å²	77	86.8 Å²	86.8	40%	0.403	46%	0.46	S	S	.	.	H	α-helix	trans	-60.6	-42	174.7	-73.5	176.2	0	0	0	112	V87 P88 F94 F95	V87-L91 HydrophobicContact CG1-CD1 4.17Å; V87-L91 WeakPolarHBondContact O-CG 3.43Å; V87-L91 PolarHBondContact O-N 3.16Å; P88-L91 PolarHBondContact O-N 3.42Å; L91-F94 PolarHBondContact O-N 2.96Å; L91-F95 HydrophobicContact CB-CD2 4.45Å; L91-F95 HydrophobicContact CB-CE2 4.16Å; L91-F95 WeakPolarHBondContact O-CB 3.4Å; L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 VanDerWaalsContact O-CG 3.3Å; L91-F95 WeakPolarHBondContact O-CG 3.36Å; L91-F95 PolarHBondContact O-N 3.13Å
92	L	95.2	Very high	95.9	Very high	99 Å²	99	83.3 Å²	83.3	52%	0.518	46%	0.456	S	S	.	.	H	α-helix	trans	-60	-51.7	175.5	-176.1	159.6	0	0	0	110.9	P88 S89 F90 F94 F95 V96 I124	P88-L92 WeakPolarHBondContact O-CB 3.39Å; P88-L92 PolarHBondContact O-N 3.46Å; S89-L92 PolarHBondContact O-N 2.8Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-L92 PolarHBondContact O-N 2.93Å; L92-F94 VanDerWaalsContact C-N 3.28Å; L92-F94 PolarHBondContact O-N 3.4Å; L92-F95 PolarHBondContact O-N 3.16Å; L92-V96 HydrophobicContact CD2-CG2 3.98Å; L92-V96 WeakPolarHBondContact O-CB 3.34Å; L92-V96 VanDerWaalsContact O-CG2 3.23Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 2.82Å; L92-I124 HydrophobicContact CD2-CD1 4.07Å
93	V	95.7	Very high	95.7	Very high	55 Å²	55	80.5 Å²	80.5	33%	0.333	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-39.3	179	174.3	0	0	0	0	111.1	S89 F90 N97 I124	S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.26Å; F90-V93 PolarHBondContact O-N 3.44Å; V93-N97 WeakPolarHBondContact CG1-ND2 3.36Å; V93-N97 WeakPolarHBondContact O-CB 3.27Å; V93-N97 PolarHBondContact O-N 2.64Å; V93-N97 PolarHBondContact O-ND2 3.13Å; V93-I124 HydrophobicContact CG2-CD1 3.88Å
94	F	96.2	Very high	95.6	Very high	112 Å²	112	85.5 Å²	85.5	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-49.8	176.9	177.8	-99.7	0	0	0	111.7	F90 L91 L92 V96 N97 S98	F90-F94 WeakPolarHBondContact O-CB 3.41Å; F90-F94 PolarHBondContact O-N 3.35Å; L91-F94 PolarHBondContact O-N 2.96Å; L92-F94 VanDerWaalsContact C-N 3.28Å; L92-F94 PolarHBondContact O-N 3.4Å; F94-V96 PolarHBondContact O-N 3.3Å; F94-N97 PolarHBondContact O-N 3.33Å; F94-S98 WeakPolarHBondContact O-CB 3.28Å; F94-S98 PolarHBondContact O-N 3.27Å
95	F	96.7	Very high	95.5	Very high	102 Å²	102	88.3 Å²	88.3	45%	0.447	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-41.5	177.8	-69.5	-42.9	0	0	0	112.3	L91 L92 N97 S98 F99	L91-F95 HydrophobicContact CB-CD2 4.45Å; L91-F95 HydrophobicContact CB-CE2 4.16Å; L91-F95 WeakPolarHBondContact O-CB 3.4Å; L91-F95 WeakPolarHBondContact O-CD2 3.32Å; L91-F95 VanDerWaalsContact O-CG 3.3Å; L91-F95 WeakPolarHBondContact O-CG 3.36Å; L91-F95 PolarHBondContact O-N 3.13Å; L92-F95 PolarHBondContact O-N 3.16Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.03Å; F95-S98 PolarHBondContact O-N 3.31Å; F95-F99 HydrophobicContact CB-CD2 4.1Å; F95-F99 HydrophobicContact CB-CE2 4.29Å; F95-F99 HydrophobicContact CD1-CD2 4.29Å; F95-F99 AromaticContact CD1-CE2 3.67Å; F95-F99 HydrophobicContact CD1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CE2 4.4Å; F95-F99 HydrophobicContact CG-CE2 4.29Å; F95-F99 WeakPolarHBondContact O-CB 3.49Å; F95-F99 VanDerWaalsContact O-CD2 3.29Å; F95-F99 WeakPolarHBondContact O-CD2 3.47Å; F95-F99 PolarHBondContact O-N 2.93Å
96	V	96.2	Very high	95.4	Very high	27 Å²	27	91.3 Å²	91.3	16%	0.164	49%	0.494	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177	169.6	0	0	0	0	111.1	L92 F94 I100 G101 P123 I124	L92-V96 HydrophobicContact CD2-CG2 3.98Å; L92-V96 WeakPolarHBondContact O-CB 3.34Å; L92-V96 VanDerWaalsContact O-CG2 3.23Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 2.82Å; F94-V96 PolarHBondContact O-N 3.3Å; V96-I100 HydrophobicContact CG1-CD1 4.24Å; V96-I100 WeakPolarHBondContact O-CB 3.23Å; V96-I100 PolarHBondContact O-N 2.88Å; V96-I100 VanDerWaalsContact O-N 3.16Å; V96-G101 PolarHBondContact O-N 3.27Å; V96-P123 HydrophobicContact CG1-CB 3.95Å; V96-P123 HydrophobicContact CG1-CG 3.29Å; V96-I124 HydrophobicContact CG1-CD1 4.37Å; V96-I124 HydrophobicContact CG1-CG1 3.88Å
97	N	95.1	Very high	95.3	Very high	70 Å²	70	94.6 Å²	94.6	37%	0.374	51%	0.512	S	S	.	.	H	α-helix	trans	-70	-35	177.1	-77.9	-59.1	0	0	0	113.1	V93 F94 F95 G101 H122	V93-N97 WeakPolarHBondContact CG1-ND2 3.36Å; V93-N97 WeakPolarHBondContact O-CB 3.27Å; V93-N97 PolarHBondContact O-N 2.64Å; V93-N97 PolarHBondContact O-ND2 3.13Å; F94-N97 PolarHBondContact O-N 3.33Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.03Å; N97-G101 PolarHBondContact O-N 2.9Å; N97-H122 PolarHBondContact OD1-NE2 3.4Å
98	S	93.6	Very high	95.2	Very high	78 Å²	78	95.8 Å²	95.8	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-76.8	-37.6	-177.5	-171.6	0	0	0	0	113.7	F94 F95	F94-S98 WeakPolarHBondContact O-CB 3.28Å; F94-S98 PolarHBondContact O-N 3.27Å; F95-S98 PolarHBondContact O-N 3.31Å
99	F	95.3	Very high	95.1	Very high	167 Å²	167	96.1 Å²	96.1	73%	0.732	52%	0.517	S	S	*	.	H	α-helix	trans	-96.2	-33.5	-174.7	-69.3	-67.2	0	0	0	113.8	F95	F95-F99 HydrophobicContact CB-CD2 4.1Å; F95-F99 HydrophobicContact CB-CE2 4.29Å; F95-F99 HydrophobicContact CD1-CD2 4.29Å; F95-F99 AromaticContact CD1-CE2 3.67Å; F95-F99 HydrophobicContact CD1-CE2 3.67Å; F95-F99 HydrophobicContact CE1-CE2 4.4Å; F95-F99 HydrophobicContact CG-CE2 4.29Å; F95-F99 WeakPolarHBondContact O-CB 3.49Å; F95-F99 VanDerWaalsContact O-CD2 3.29Å; F95-F99 WeakPolarHBondContact O-CD2 3.47Å; F95-F99 PolarHBondContact O-N 2.93Å
100	I	92.6	Very high	95	Very high	117 Å²	117	101.6 Å²	101.6	60%	0.6	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-42.8	-173.7	-59	155	0	0	0	110.7	V96 P123	V96-I100 HydrophobicContact CG1-CD1 4.24Å; V96-I100 WeakPolarHBondContact O-CB 3.23Å; V96-I100 PolarHBondContact O-N 2.88Å; V96-I100 VanDerWaalsContact O-N 3.16Å; I100-P123 HydrophobicContact CG2-CB 3.98Å; I100-P123 HydrophobicContact CG2-CG 4.2Å
101	G	91.1	Very high	94.8	Very high	17 Å²	17	103.8 Å²	103.8	18%	0.175	55%	0.552	C	S	.	*			trans	68.6	174.6	-175.7	0	0	0	0	0	113.8	V96 N97	V96-G101 PolarHBondContact O-N 3.27Å; N97-G101 PolarHBondContact O-N 2.9Å
102	P	94.5	Very high	94.8	Very high	81 Å²	81	105.4 Å²	105.4	53%	0.526	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-77	147.8	173.4	31.8	-33.7	0	0	0	111.6	K121	P102-K121 HydrophobicContact CB-CG 4.12Å
103	A	93.4	Very high	94.8	Very high	34 Å²	34	109.1 Å²	109.1	28%	0.281	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-70.7	148	173.8	0	0	0	0	0	112.1	K121	A103-K121 PolarHBondContact N-O 3.19Å; A103-K121 WeakPolarHBondContact O-CG 3.2Å
104	E	94.9	Very high	94.8	Very high	174 Å²	174	107.7 Å²	107.7	81%	0.813	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-83.4	145.3	168.9	-171.4	168	-172.5	0	0	110	T106	E104-T106 PolarHBondContact O-N 2.95Å
105	L	95.2	Very high	94.7	Very high	167 Å²	167	109.6 Å²	109.6	87%	0.874	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-77.8	116.7	174.3	179.1	65.9	0	0	0	107.9
106	T	94.2	Very high	94.7	Very high	105 Å²	105	106.5 Å²	106.5	64%	0.644	55%	0.55	S	S	*	.			trans	-114.3	148.1	174.2	58.8	0	0	0	0	109.2	E104	E104-T106 PolarHBondContact O-N 2.95Å
107	D	95.6	Very high	94.7	Very high	156 Å²	156	107.6 Å²	107.6	83%	0.834	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-61.6	146.4	170.1	-64	-39.2	0	0	0	109.9	P109	D107-P109 WeakPolarHBondContact O-CD 3.5Å
108	I	94.9	Very high	94.8	Very high	98 Å²	98	107.1 Å²	107.1	50%	0.503	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-70.8	121.9	178	-59.5	172.4	0	0	0	106.9	Y112 P114 Y119	I108-Y112 VanDerWaalsContact CG2-O 3.24Å; I108-Y112 WeakPolarHBondContact CG2-O 3.45Å; I108-P114 HydrophobicContact CD1-CG 4.12Å; I108-P114 HydrophobicContact CG1-CG 4.03Å; I108-P114 HydrophobicContact CG2-CG 3.93Å; I108-Y119 HydrophobicContact CD1-CE1 4.33Å
109	P	95.2	Very high	94.9	Very high	79 Å²	79	110.2 Å²	110.2	51%	0.513	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-66.2	148	179.2	23.7	-26.3	0	0	0	110.2	D107 D111 Y112	D107-P109 WeakPolarHBondContact O-CD 3.5Å; P109-D111 PolarHBondContact O-N 3.45Å; P109-Y112 HydrophobicContact CG-CD1 4.36Å; P109-Y112 HydrophobicContact CG-CG 4.44Å; P109-Y112 PolarHBondContact O-N 2.91Å
110	E	94.5	Very high	94.9	Very high	187 Å²	187	105.7 Å²	105.7	87%	0.874	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	139.9	170.2	-60.8	-177.8	179.1	0	0	108.6
111	D	94.1	Very high	95.1	Very high	178 Å²	178	106.9 Å²	106.9	95%	0.952	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	11.8	-176	-51.7	-37.5	0	0	0	118	P109	P109-D111 PolarHBondContact O-N 3.45Å
112	Y	96.1	Very high	95.4	Very high	110 Å²	110	108.7 Å²	108.7	43%	0.431	53%	0.533	S	S	.	.			trans	-125.6	127.5	174.7	-174	-111	0	0	0	113.4	I108 P109 P114 E118	I108-Y112 VanDerWaalsContact CG2-O 3.24Å; I108-Y112 WeakPolarHBondContact CG2-O 3.45Å; P109-Y112 HydrophobicContact CG-CD1 4.36Å; P109-Y112 HydrophobicContact CG-CG 4.44Å; P109-Y112 PolarHBondContact O-N 2.91Å; Y112-P114 HydrophobicContact CD1-CG 4.12Å; Y112-P114 HydrophobicContact CE1-CB 4.14Å; Y112-P114 HydrophobicContact CE1-CG 4.14Å; Y112-P114 WeakPolarHBondContact O-CD 3.16Å; Y112-E118 PolarHBondContact OH-OE1 3.03Å; Y112-E118 PolarHBondContact OH-OE2 3.47Å
113	E	94.8	Very high	95.4	Very high	177 Å²	177	106 Å²	106	83%	0.827	52%	0.515	S	S	*	.			trans	-97.9	110.9	168.1	-69.3	-173.3	171.9	0	0	110.1
114	P	95.8	Very high	95.6	Very high	25 Å²	25	106.5 Å²	106.5	16%	0.162	51%	0.513	C	S	.	.			trans	-61.7	142.7	178.3	-21.8	32	0	0	0	112.1	I108 Y112 E118 Y119	I108-P114 HydrophobicContact CD1-CG 4.12Å; I108-P114 HydrophobicContact CG1-CG 4.03Å; I108-P114 HydrophobicContact CG2-CG 3.93Å; Y112-P114 HydrophobicContact CD1-CG 4.12Å; Y112-P114 HydrophobicContact CE1-CB 4.14Å; Y112-P114 HydrophobicContact CE1-CG 4.14Å; Y112-P114 WeakPolarHBondContact O-CD 3.16Å; P114-E118 VanDerWaalsContact CA-OE2 3.27Å; P114-E118 WeakPolarHBondContact CA-OE2 3.08Å; P114-E118 HydrophobicContact CB-CB 4.27Å; P114-E118 WeakPolarHBondContact CB-OE2 3.38Å; P114-Y119 HydrophobicContact CB-CE1 4.26Å; P114-Y119 HydrophobicContact CB-CE2 4.05Å; P114-Y119 HydrophobicContact CG-CE1 4.32Å
115	R	95	Very high	95.6	Very high	152 Å²	152	101.3 Å²	101.3	57%	0.574	49%	0.493	S	S	*	.			trans	-67.2	149.6	171.5	-60.2	-64.3	-169.4	172.1	-0.9	109.6	W117 E118	R115-W117 HydrophobicContact CB-CD2 3.94Å; R115-W117 HydrophobicContact CB-CE3 4.23Å; R115-W117 HydrophobicContact CB-CH2 3.82Å; R115-W117 HydrophobicContact CB-CZ2 3.47Å; R115-W117 VanDerWaalsContact CB-CZ2 3.47Å; R115-W117 HydrophobicContact CB-CZ3 4.19Å; R115-W117 HydrophobicContact CG-CH2 3.89Å; R115-W117 HydrophobicContact CG-CZ2 3.58Å; R115-W117 PolarHBondContact O-N 3.47Å; R115-E118 HydrophobicContact CB-CG 4.15Å; R115-E118 PolarHBondContact N-OE2 2.95Å; R115-E118 VanDerWaalsContact O-CB 3.32Å; R115-E118 WeakPolarHBondContact O-CB 3.12Å; R115-E118 PolarHBondContact O-N 3.45Å
116	Y	96.3	Very high	95.7	Very high	37 Å²	37	97.3 Å²	97.3	15%	0.145	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.1	-174.4	70	-84.4	0	0	0	115.3	A129 K130 C133 H135 P136	Y116-A129 WeakPolarHBondContact CE2-O 3.32Å; Y116-A129 PolarHBondContact OH-O 3.21Å; Y116-K130 PolarHBondContact OH-O 3.46Å; Y116-C133 PolarHBondContact OH-O 3.07Å; Y116-H135 HydrophobicContact CD1-CB 4.19Å; Y116-H135 AromaticContact CD1-CD2 3.08Å; Y116-H135 WeakPolarHBondContact CD1-CD2 3.37Å; Y116-H135 AromaticContact CD1-CG 3.77Å; Y116-H135 AromaticContact CD1-NE2 3.68Å; Y116-H135 HydrophobicContact CE1-CB 4.14Å; Y116-H135 AromaticContact CE1-CD2 3.61Å; Y116-H135 AromaticContact CG-CD2 3.79Å; Y116-P136 VanDerWaalsContact CB-CD 3.5Å
117	W	97	Very high	95.8	Very high	51 Å²	51	97.8 Å²	97.8	19%	0.193	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.4	175.8	59.2	75	0	0	0	113.8	R115 Y119 H120 R126 A129 K130	R115-W117 HydrophobicContact CB-CD2 3.94Å; R115-W117 HydrophobicContact CB-CE3 4.23Å; R115-W117 HydrophobicContact CB-CH2 3.82Å; R115-W117 HydrophobicContact CB-CZ2 3.47Å; R115-W117 VanDerWaalsContact CB-CZ2 3.47Å; R115-W117 HydrophobicContact CB-CZ3 4.19Å; R115-W117 HydrophobicContact CG-CH2 3.89Å; R115-W117 HydrophobicContact CG-CZ2 3.58Å; R115-W117 PolarHBondContact O-N 3.47Å; W117-Y119 VanDerWaalsContact C-N 3.27Å; W117-Y119 PolarHBondContact O-N 2.71Å; W117-H120 PolarHBondContact O-N 3.45Å; W117-R126 HydrophobicContact CB-CG 4.24Å; W117-R126 HydrophobicContact CG-CG 4.43Å; W117-R126 WeakPolarHBondContact O-CG 3.36Å; W117-A129 HydrophobicContact CB-CB 3.85Å; W117-K130 HydrophobicContact CB-CB 4.05Å; W117-K130 HydrophobicContact CD2-CB 3.9Å; W117-K130 HydrophobicContact CD2-CD 4.19Å; W117-K130 HydrophobicContact CD2-CG 3.84Å; W117-K130 HydrophobicContact CE3-CB 4.03Å; W117-K130 HydrophobicContact CE3-CG 3.85Å; W117-K130 HydrophobicContact CG-CB 3.89Å; W117-K130 HydrophobicContact CG-CG 4.29Å; W117-K130 HydrophobicContact CZ2-CD 4.45Å; W117-K130 HydrophobicContact CZ3-CG 4.22Å
118	E	96.2	Very high	95.8	Very high	59 Å²	59	93.6 Å²	93.6	28%	0.276	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.3	-177	-67.4	167.9	-175.3	0	0	112	Y112 P114 R115 H120 R126	Y112-E118 PolarHBondContact OH-OE1 3.03Å; Y112-E118 PolarHBondContact OH-OE2 3.47Å; P114-E118 VanDerWaalsContact CA-OE2 3.27Å; P114-E118 WeakPolarHBondContact CA-OE2 3.08Å; P114-E118 HydrophobicContact CB-CB 4.27Å; P114-E118 WeakPolarHBondContact CB-OE2 3.38Å; R115-E118 HydrophobicContact CB-CG 4.15Å; R115-E118 PolarHBondContact N-OE2 2.95Å; R115-E118 VanDerWaalsContact O-CB 3.32Å; R115-E118 WeakPolarHBondContact O-CB 3.12Å; R115-E118 PolarHBondContact O-N 3.45Å; E118-H120 PolarHBondContact O-N 3.29Å; E118-H120 VanDerWaalsContact O-N 3.09Å; E118-R126 PolarHBondContact O-NH2 3.11Å
119	Y	96.2	Very high	95.9	Very high	144 Å²	144	89.1 Å²	89.1	57%	0.565	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.8	172.5	-62.5	-74.3	0	0	0	114.1	I108 P114 W117	I108-Y119 HydrophobicContact CD1-CE1 4.33Å; P114-Y119 HydrophobicContact CB-CE1 4.26Å; P114-Y119 HydrophobicContact CB-CE2 4.05Å; P114-Y119 HydrophobicContact CG-CE1 4.32Å; W117-Y119 VanDerWaalsContact C-N 3.27Å; W117-Y119 PolarHBondContact O-N 2.71Å
120	H	96.4	Very high	96	Very high	72 Å²	72	89.5 Å²	89.5	33%	0.333	41%	0.408	S	S	.	.			trans	-93.5	130.9	177.2	-61.2	-57.7	0	0	0	112.7	W117 E118 T125 R126 A129	W117-H120 PolarHBondContact O-N 3.45Å; E118-H120 PolarHBondContact O-N 3.29Å; E118-H120 VanDerWaalsContact O-N 3.09Å; H120-T125 HydrophobicContact CB-CG2 4.01Å; H120-R126 HydrophobicContact CB-CB 4.37Å; H120-R126 PolarHBondContact O-NE 3.25Å; H120-R126 PolarHBondContact O-NH2 3.39Å; H120-A129 WeakPolarHBondContact CD2-CB 3.32Å; H120-A129 WeakPolarHBondContact NE2-CB 3.49Å
121	K	96.3	Very high	96.1	Very high	142 Å²	142	87.6 Å²	87.6	62%	0.617	39%	0.394	S	S	*	.	S	Bend	trans	-69.3	-45.5	-179.6	-178.5	170.4	-175.4	172.8	0	114	P102 A103	P102-K121 HydrophobicContact CB-CG 4.12Å; A103-K121 PolarHBondContact N-O 3.19Å; A103-K121 WeakPolarHBondContact O-CG 3.2Å
122	H	96.6	Very high	96.2	Very high	55 Å²	55	85.9 Å²	85.9	26%	0.255	38%	0.382	S	S	.	.	S	Bend	trans	-88.4	133.4	-172	-169.7	-93.9	0	0	0	111.1	N97 I124 T125 R126	N97-H122 PolarHBondContact OD1-NE2 3.4Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 VanDerWaalsContact CE1-CG1 3.46Å; H122-I124 WeakPolarHBondContact CE1-CG1 3.34Å; H122-I124 WeakPolarHBondContact ND1-CB 3.47Å; H122-I124 PolarHBondContact ND1-N 2.9Å; H122-I124 PolarHBondContact O-N 3Å; H122-T125 WeakPolarHBondContact O-CB 3.5Å; H122-T125 PolarHBondContact O-N 3.04Å; H122-T125 VanDerWaalsContact O-N 3.07Å; H122-R126 PolarHBondContact O-N 2.86Å
123	P	95.8	Very high	96.2	Very high	23 Å²	23	83.8 Å²	83.8	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-59.8	-36.2	-176.5	22.3	-35.5	0	0	0	113.7	V96 I100 R126 F127	V96-P123 HydrophobicContact CG1-CB 3.95Å; V96-P123 HydrophobicContact CG1-CG 3.29Å; I100-P123 HydrophobicContact CG2-CB 3.98Å; I100-P123 HydrophobicContact CG2-CG 4.2Å; P123-R126 PolarHBondContact O-N 3.26Å; P123-F127 WeakPolarHBondContact O-CB 3.4Å; P123-F127 PolarHBondContact O-N 3.01Å
124	I	95.8	Very high	96.2	Very high	46 Å²	46	81.1 Å²	81.1	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-42.4	175.8	-56.9	-177.1	0	0	0	110.6	L92 V93 V96 H122 R126 F127 I128	L92-I124 HydrophobicContact CD2-CD1 4.07Å; V93-I124 HydrophobicContact CG2-CD1 3.88Å; V96-I124 HydrophobicContact CG1-CD1 4.37Å; V96-I124 HydrophobicContact CG1-CG1 3.88Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 VanDerWaalsContact CE1-CG1 3.46Å; H122-I124 WeakPolarHBondContact CE1-CG1 3.34Å; H122-I124 WeakPolarHBondContact ND1-CB 3.47Å; H122-I124 PolarHBondContact ND1-N 2.9Å; H122-I124 PolarHBondContact O-N 3Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.45Å; I124-F127 WeakPolarHBondContact O-CB 3.35Å; I124-F127 PolarHBondContact O-N 3.03Å; I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.4Å; I124-I128 PolarHBondContact O-N 3.02Å
125	T	96.7	Very high	96.2	Very high	64 Å²	64	83.2 Å²	83.2	39%	0.393	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-40.8	177.4	-52.1	0	0	0	0	110.7	H120 H122 F127 I128 A129	H120-T125 HydrophobicContact CB-CG2 4.01Å; H122-T125 WeakPolarHBondContact O-CB 3.5Å; H122-T125 PolarHBondContact O-N 3.04Å; H122-T125 VanDerWaalsContact O-N 3.07Å; T125-F127 VanDerWaalsContact C-N 3.35Å; T125-F127 PolarHBondContact O-N 3.42Å; T125-I128 PolarHBondContact O-N 3.26Å; T125-A129 WeakPolarHBondContact O-CB 3.49Å; T125-A129 PolarHBondContact O-N 3.09Å
126	R	96.2	Very high	96.2	Very high	83 Å²	83	79.7 Å²	79.7	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-41.5	173.4	-178.4	175.6	-61	-174.1	-0.6	112.1	W117 E118 H120 H122 P123 I124 K130	W117-R126 HydrophobicContact CB-CG 4.24Å; W117-R126 HydrophobicContact CG-CG 4.43Å; W117-R126 WeakPolarHBondContact O-CG 3.36Å; E118-R126 PolarHBondContact O-NH2 3.11Å; H120-R126 HydrophobicContact CB-CB 4.37Å; H120-R126 PolarHBondContact O-NE 3.25Å; H120-R126 PolarHBondContact O-NH2 3.39Å; H122-R126 PolarHBondContact O-N 2.86Å; P123-R126 PolarHBondContact O-N 3.26Å; I124-R126 VanDerWaalsContact C-N 3.33Å; I124-R126 PolarHBondContact O-N 3.45Å; R126-K130 WeakPolarHBondContact O-CB 3.49Å; R126-K130 PolarHBondContact O-N 3.37Å
127	F	95.7	Very high	96.2	Very high	115 Å²	115	83.1 Å²	83.1	50%	0.504	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-47	175.3	177.9	-93.5	0	0	0	112.1	P123 I124 T125 A129 K130 Y131	P123-F127 WeakPolarHBondContact O-CB 3.4Å; P123-F127 PolarHBondContact O-N 3.01Å; I124-F127 WeakPolarHBondContact O-CB 3.35Å; I124-F127 PolarHBondContact O-N 3.03Å; T125-F127 VanDerWaalsContact C-N 3.35Å; T125-F127 PolarHBondContact O-N 3.42Å; F127-A129 PolarHBondContact O-N 2.99Å; F127-K130 PolarHBondContact O-N 3.4Å; F127-Y131 AromaticContact CD2-CD2 3.52Å; F127-Y131 HydrophobicContact CD2-CD2 3.52Å; F127-Y131 AromaticContact CD2-CE2 3.58Å; F127-Y131 HydrophobicContact CD2-CE2 3.58Å; F127-Y131 HydrophobicContact CE1-CD2 4.41Å; F127-Y131 AromaticContact CE2-CD2 3.37Å; F127-Y131 HydrophobicContact CE2-CD2 3.37Å; F127-Y131 AromaticContact CE2-CE2 3.46Å; F127-Y131 HydrophobicContact CE2-CE2 3.46Å; F127-Y131 VanDerWaalsContact CE2-CE2 3.46Å; F127-Y131 HydrophobicContact CE2-CG 4.43Å; F127-Y131 HydrophobicContact CG-CD2 4.11Å; F127-Y131 AromaticContact CZ-CD2 3.86Å; F127-Y131 HydrophobicContact CZ-CD2 3.86Å; F127-Y131 HydrophobicContact CZ-CE2 4.35Å; F127-Y131 WeakPolarHBondContact O-CD2 3.41Å; F127-Y131 PolarHBondContact O-N 3.07Å; F127-Y131 VanDerWaalsContact O-N 3.1Å
128	I	97.1	Very high	96.2	Very high	68 Å²	68	86.6 Å²	86.6	35%	0.349	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-47.1	176.9	-67.3	166.1	0	0	0	110	I124 T125 K130 Y131 M132 C133	I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 VanDerWaalsContact O-CG1 3.3Å; I124-I128 WeakPolarHBondContact O-CG1 3.4Å; I124-I128 PolarHBondContact O-N 3.02Å; T125-I128 PolarHBondContact O-N 3.26Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.33Å; I128-Y131 PolarHBondContact O-N 2.72Å; I128-M132 HydrophobicContact CG1-SD 4.33Å; I128-M132 HydrophobicContact CG2-CB 4.2Å; I128-M132 HydrophobicContact CG2-SD 4.23Å; I128-M132 WeakPolarHBondContact O-CA 3.17Å; I128-M132 WeakPolarHBondContact O-CB 3.39Å; I128-M132 PolarHBondContact O-N 3.29Å; I128-C133 PolarHBondContact O-N 3.39Å; I128-C133 VanDerWaalsContact O-N 3.17Å
129	A	96.9	Very high	96.3	Very high	5 Å²	5	88.4 Å²	88.4	4%	0.041	42%	0.419	C	S	.	.	H	α-helix	trans	-58.9	-44.7	178	0	0	0	0	0	111.7	Y116 W117 H120 T125 F127 Y131	Y116-A129 WeakPolarHBondContact CE2-O 3.32Å; Y116-A129 PolarHBondContact OH-O 3.21Å; W117-A129 HydrophobicContact CB-CB 3.85Å; H120-A129 WeakPolarHBondContact CD2-CB 3.32Å; H120-A129 WeakPolarHBondContact NE2-CB 3.49Å; T125-A129 WeakPolarHBondContact O-CB 3.49Å; T125-A129 PolarHBondContact O-N 3.09Å; F127-A129 PolarHBondContact O-N 2.99Å; A129-Y131 PolarHBondContact O-N 3.37Å
130	K	96.1	Very high	96.4	Very high	86 Å²	86	88.5 Å²	88.5	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-65.4	-39.5	-177.9	-175.9	174.6	179.4	-174.2	0	114	Y116 W117 R126 F127 I128	Y116-K130 PolarHBondContact OH-O 3.46Å; W117-K130 HydrophobicContact CB-CB 4.05Å; W117-K130 HydrophobicContact CD2-CB 3.9Å; W117-K130 HydrophobicContact CD2-CD 4.19Å; W117-K130 HydrophobicContact CD2-CG 3.84Å; W117-K130 HydrophobicContact CE3-CB 4.03Å; W117-K130 HydrophobicContact CE3-CG 3.85Å; W117-K130 HydrophobicContact CG-CB 3.89Å; W117-K130 HydrophobicContact CG-CG 4.29Å; W117-K130 HydrophobicContact CZ2-CD 4.45Å; W117-K130 HydrophobicContact CZ3-CG 4.22Å; R126-K130 WeakPolarHBondContact O-CB 3.49Å; R126-K130 PolarHBondContact O-N 3.37Å; F127-K130 PolarHBondContact O-N 3.4Å; I128-K130 VanDerWaalsContact C-N 3.32Å; I128-K130 PolarHBondContact O-N 3.33Å
131	Y	97.3	Very high	96.5	Very high	148 Å²	148	90.2 Å²	90.2	58%	0.58	43%	0.427	S	S	*	.	H	α-helix	trans	-111.1	-24	-169.8	-65.9	-70.4	0	0	0	115	F127 I128 A129	F127-Y131 AromaticContact CD2-CD2 3.52Å; F127-Y131 HydrophobicContact CD2-CD2 3.52Å; F127-Y131 AromaticContact CD2-CE2 3.58Å; F127-Y131 HydrophobicContact CD2-CE2 3.58Å; F127-Y131 HydrophobicContact CE1-CD2 4.41Å; F127-Y131 AromaticContact CE2-CD2 3.37Å; F127-Y131 HydrophobicContact CE2-CD2 3.37Å; F127-Y131 AromaticContact CE2-CE2 3.46Å; F127-Y131 HydrophobicContact CE2-CE2 3.46Å; F127-Y131 VanDerWaalsContact CE2-CE2 3.46Å; F127-Y131 HydrophobicContact CE2-CG 4.43Å; F127-Y131 HydrophobicContact CG-CD2 4.11Å; F127-Y131 AromaticContact CZ-CD2 3.86Å; F127-Y131 HydrophobicContact CZ-CD2 3.86Å; F127-Y131 HydrophobicContact CZ-CE2 4.35Å; F127-Y131 WeakPolarHBondContact O-CD2 3.41Å; F127-Y131 PolarHBondContact O-N 3.07Å; F127-Y131 VanDerWaalsContact O-N 3.1Å; I128-Y131 PolarHBondContact O-N 2.72Å; A129-Y131 PolarHBondContact O-N 3.37Å
132	M	96.7	Very high	96.6	Very high	142 Å²	142	86.8 Å²	86.8	70%	0.7	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-31.6	-174	-59.6	-179.5	175.7	0	0	113	I128	I128-M132 HydrophobicContact CG1-SD 4.33Å; I128-M132 HydrophobicContact CG2-CB 4.2Å; I128-M132 HydrophobicContact CG2-SD 4.23Å; I128-M132 WeakPolarHBondContact O-CA 3.17Å; I128-M132 WeakPolarHBondContact O-CB 3.39Å; I128-M132 PolarHBondContact O-N 3.29Å
133	C	94.8	Very high	96.7	Very high	66 Å²	66	87.3 Å²	87.3	45%	0.446	43%	0.429	S	S	.	.	S	Bend	trans	-92.7	146.2	-178.9	-58.8	0	0	0	0	112.1	Y116 I128	Y116-C133 PolarHBondContact OH-O 3.07Å; I128-C133 PolarHBondContact O-N 3.39Å; I128-C133 VanDerWaalsContact O-N 3.17Å
134	E	94.4	Very high	96.8	Very high	121 Å²	121	90 Å²	90	57%	0.565	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-71.7	153.3	170.3	-60.9	-169.2	166.7	0	0	111.3
135	H	95.8	Very high	96.9	Very high	68 Å²	68	90.2 Å²	90.2	32%	0.315	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.4	173.9	-169.4	-66.3	0	0	0	109.6	Y116 Q137 K138 L139	Y116-H135 HydrophobicContact CD1-CB 4.19Å; Y116-H135 AromaticContact CD1-CD2 3.08Å; Y116-H135 WeakPolarHBondContact CD1-CD2 3.37Å; Y116-H135 AromaticContact CD1-CG 3.77Å; Y116-H135 AromaticContact CD1-NE2 3.68Å; Y116-H135 HydrophobicContact CE1-CB 4.14Å; Y116-H135 AromaticContact CE1-CD2 3.61Å; Y116-H135 AromaticContact CG-CD2 3.79Å; H135-Q137 VanDerWaalsContact C-N 3.31Å; H135-Q137 WeakPolarHBondContact CE1-CB 3.46Å; H135-Q137 VanDerWaalsContact ND1-CB 3.28Å; H135-Q137 WeakPolarHBondContact ND1-CB 3.4Å; H135-Q137 PolarHBondContact ND1-N 3.44Å; H135-Q137 VanDerWaalsContact ND1-N 3.13Å; H135-Q137 PolarHBondContact O-N 3.28Å; H135-K138 HydrophobicContact CB-CB 4.01Å; H135-K138 WeakPolarHBondContact O-CB 3.45Å; H135-K138 PolarHBondContact O-N 3.49Å; H135-L139 PolarHBondContact O-N 2.97Å; H135-L139 VanDerWaalsContact O-N 3.11Å
136	P	96.6	Very high	97	Very high	78 Å²	78	92 Å²	92	51%	0.506	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-38	-174.5	22.9	-33.3	0	0	0	112.8	Y116 L139 Y140	Y116-P136 VanDerWaalsContact CB-CD 3.5Å; P136-L139 PolarHBondContact O-N 3.27Å; P136-Y140 WeakPolarHBondContact O-CB 3.3Å; P136-Y140 PolarHBondContact O-N 2.99Å
137	Q	96.6	Very high	97.1	Very high	109 Å²	109	93.5 Å²	93.5	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-39.3	174.4	-171.1	173.3	-12.2	0	0	113.2	H135 L139 Y140 E141	H135-Q137 VanDerWaalsContact C-N 3.31Å; H135-Q137 WeakPolarHBondContact CE1-CB 3.46Å; H135-Q137 VanDerWaalsContact ND1-CB 3.28Å; H135-Q137 WeakPolarHBondContact ND1-CB 3.4Å; H135-Q137 PolarHBondContact ND1-N 3.44Å; H135-Q137 VanDerWaalsContact ND1-N 3.13Å; H135-Q137 PolarHBondContact O-N 3.28Å; Q137-L139 VanDerWaalsContact C-N 3.33Å; Q137-L139 PolarHBondContact O-N 3.07Å; Q137-Y140 PolarHBondContact O-N 3.17Å; Q137-E141 HydrophobicContact CG-CG 4.37Å; Q137-E141 VanDerWaalsContact CG-OE1 3.27Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.08Å; Q137-E141 PolarHBondContact NE2-OE1 2.9Å; Q137-E141 WeakPolarHBondContact O-CB 3.25Å; Q137-E141 WeakPolarHBondContact O-CG 3.36Å; Q137-E141 PolarHBondContact O-N 3.22Å
138	K	96.6	Very high	97.2	Very high	125 Å²	125	91.4 Å²	91.4	54%	0.543	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-44.8	175.6	-179.9	-168.2	173.7	-163.9	0	110.3	H135 Y140 S142	H135-K138 HydrophobicContact CB-CB 4.01Å; H135-K138 WeakPolarHBondContact O-CB 3.45Å; H135-K138 PolarHBondContact O-N 3.49Å; K138-Y140 VanDerWaalsContact C-N 3.35Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.41Å
139	L	97.6	Very high	97.3	Very high	97 Å²	97	94.4 Å²	94.4	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-46.7	177	-174.9	67.5	0	0	0	110.5	H135 P136 Q137 S142 T143	H135-L139 PolarHBondContact O-N 2.97Å; H135-L139 VanDerWaalsContact O-N 3.11Å; P136-L139 PolarHBondContact O-N 3.27Å; Q137-L139 VanDerWaalsContact C-N 3.33Å; Q137-L139 PolarHBondContact O-N 3.07Å; L139-S142 PolarHBondContact O-N 3.36Å; L139-T143 VanDerWaalsContact O-CG2 3.23Å; L139-T143 WeakPolarHBondContact O-CG2 3.41Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.87Å
140	Y	98.3	Very high	97.4	Very high	146 Å²	146	100.2 Å²	100.2	57%	0.573	50%	0.499	S	S	*	.	H	α-helix	trans	-58.9	-52.3	177.9	179.6	-105.1	0	0	0	112.4	P136 Q137 K138 S142 T143 L144	P136-Y140 WeakPolarHBondContact O-CB 3.3Å; P136-Y140 PolarHBondContact O-N 2.99Å; Q137-Y140 PolarHBondContact O-N 3.17Å; K138-Y140 VanDerWaalsContact C-N 3.35Å; Y140-S142 PolarHBondContact O-N 3.35Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 PolarHBondContact O-OG1 3.16Å; Y140-L144 HydrophobicContact CD1-CD1 3.93Å; Y140-L144 HydrophobicContact CE1-CD1 3.34Å; Y140-L144 HydrophobicContact CE1-CG 4.19Å; Y140-L144 HydrophobicContact CE2-CD1 4.33Å; Y140-L144 HydrophobicContact CE2-CG 4.41Å; Y140-L144 WeakPolarHBondContact O-CG 3.43Å; Y140-L144 PolarHBondContact O-N 3.11Å
141	E	98.5	Very high	97.5	Very high	107 Å²	107	102.7 Å²	102.7	50%	0.5	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-40.5	-179.8	-71	172.6	-170.6	0	0	112.1	Q137 T143 L144 A145	Q137-E141 HydrophobicContact CG-CG 4.37Å; Q137-E141 VanDerWaalsContact CG-OE1 3.27Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.08Å; Q137-E141 PolarHBondContact NE2-OE1 2.9Å; Q137-E141 WeakPolarHBondContact O-CB 3.25Å; Q137-E141 WeakPolarHBondContact O-CG 3.36Å; Q137-E141 PolarHBondContact O-N 3.22Å; E141-T143 VanDerWaalsContact C-N 3.34Å; E141-T143 PolarHBondContact O-N 3.32Å; E141-L144 PolarHBondContact O-N 2.97Å; E141-A145 PolarHBondContact O-N 3.3Å
142	S	98.1	Very high	97.5	Very high	71 Å²	71	100.6 Å²	100.6	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.7	-172.6	0	0	0	0	111.8	K138 L139 Y140 L144 A145 E146	K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.41Å; L139-S142 PolarHBondContact O-N 3.36Å; Y140-S142 PolarHBondContact O-N 3.35Å; S142-L144 VanDerWaalsContact C-N 3.35Å; S142-A145 PolarHBondContact O-N 3.14Å; S142-E146 PolarHBondContact O-N 3.06Å
143	T	98.3	Very high	97.6	Very high	65 Å²	65	97.7 Å²	97.7	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-68.6	-34.2	178	58.1	0	0	0	0	112.5	L139 Y140 E141 L147	L139-T143 VanDerWaalsContact O-CG2 3.23Å; L139-T143 WeakPolarHBondContact O-CG2 3.41Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.87Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 PolarHBondContact O-OG1 3.16Å; E141-T143 VanDerWaalsContact C-N 3.34Å; E141-T143 PolarHBondContact O-N 3.32Å; T143-L147 WeakPolarHBondContact O-CB 3.43Å; T143-L147 PolarHBondContact O-N 3.28Å
144	L	98.3	Very high	97.8	Very high	79 Å²	79	101.2 Å²	101.2	41%	0.414	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-42.8	174.1	-76	-179	0	0	0	111.5	Y140 E141 S142 L147 D148	Y140-L144 HydrophobicContact CD1-CD1 3.93Å; Y140-L144 HydrophobicContact CE1-CD1 3.34Å; Y140-L144 HydrophobicContact CE1-CG 4.19Å; Y140-L144 HydrophobicContact CE2-CD1 4.33Å; Y140-L144 HydrophobicContact CE2-CG 4.41Å; Y140-L144 WeakPolarHBondContact O-CG 3.43Å; Y140-L144 PolarHBondContact O-N 3.11Å; E141-L144 PolarHBondContact O-N 2.97Å; S142-L144 VanDerWaalsContact C-N 3.35Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-D148 WeakPolarHBondContact O-CB 3.5Å; L144-D148 PolarHBondContact O-N 3.02Å
145	A	98.5	Very high	98	Very high	51 Å²	51	98.6 Å²	98.6	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-45.4	176.4	0	0	0	0	0	111.6	E141 S142 L147 D148 E149	E141-A145 PolarHBondContact O-N 3.3Å; S142-A145 PolarHBondContact O-N 3.14Å; A145-L147 PolarHBondContact O-N 3.11Å; A145-D148 PolarHBondContact O-N 2.87Å; A145-E149 WeakPolarHBondContact O-CG 3.27Å; A145-E149 PolarHBondContact O-N 3.44Å
146	E	98.4	Very high	98.1	Very high	102 Å²	102	100.6 Å²	100.6	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-42.9	176	-177.7	-179.2	-176	0	0	112	S142 D148 E149 F150	S142-E146 PolarHBondContact O-N 3.06Å; E146-D148 VanDerWaalsContact C-N 3.3Å; E146-D148 PolarHBondContact O-N 3.16Å; E146-E149 PolarHBondContact O-N 3.49Å; E146-F150 HydrophobicContact CG-CD2 3.94Å; E146-F150 HydrophobicContact CG-CE2 3.41Å; E146-F150 VanDerWaalsContact CG-CE2 3.41Å; E146-F150 HydrophobicContact CG-CZ 4.1Å; E146-F150 WeakPolarHBondContact O-CD2 3.45Å; E146-F150 PolarHBondContact O-N 3.44Å; E146-F150 WeakPolarHBondContact OE1-CE2 3.23Å
147	L	98.4	Very high	98.1	Very high	115 Å²	115	99.9 Å²	99.9	60%	0.602	49%	0.492	S	S	*	.	H	α-helix	trans	-63.3	-38.5	177.5	-177	62.3	0	0	0	112.1	T143 L144 A145 F150 R151	T143-L147 WeakPolarHBondContact O-CB 3.43Å; T143-L147 PolarHBondContact O-N 3.28Å; L144-L147 PolarHBondContact O-N 3.49Å; A145-L147 PolarHBondContact O-N 3.11Å; L147-F150 PolarHBondContact O-N 3.07Å; L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 2.84Å
148	D	98.6	Very high	98.2	Very high	70 Å²	70	98 Å²	98	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-68	-42.1	178.2	-162.3	44.4	0	0	0	111.3	L144 A145 E146 F150 R151 F152	L144-D148 WeakPolarHBondContact O-CB 3.5Å; L144-D148 PolarHBondContact O-N 3.02Å; A145-D148 PolarHBondContact O-N 2.87Å; E146-D148 VanDerWaalsContact C-N 3.3Å; E146-D148 PolarHBondContact O-N 3.16Å; D148-F150 VanDerWaalsContact C-N 3.33Å; D148-F150 PolarHBondContact O-N 3.1Å; D148-R151 WeakPolarHBondContact O-CB 3.42Å; D148-R151 PolarHBondContact O-N 3.25Å; D148-R151 VanDerWaalsContact O-N 3.16Å; D148-F152 WeakPolarHBondContact O-CD2 3.46Å; D148-F152 PolarHBondContact O-N 3.31Å; D148-F152 WeakPolarHBondContact OD2-CE2 3.41Å
149	E	98.4	Very high	98.2	Very high	131 Å²	131	97.5 Å²	97.5	61%	0.612	49%	0.485	S	S	*	.	H	α-helix	trans	-59	-42.7	172.6	-73	-178.9	-175	0	0	112.3	A145 E146 F152 T153	A145-E149 WeakPolarHBondContact O-CG 3.27Å; A145-E149 PolarHBondContact O-N 3.44Å; E146-E149 PolarHBondContact O-N 3.49Å; E149-F152 PolarHBondContact O-N 2.94Å; E149-T153 WeakPolarHBondContact O-CB 3.34Å; E149-T153 PolarHBondContact O-N 3.5Å; E149-T153 PolarHBondContact O-OG1 2.83Å
150	F	98.4	Very high	98.1	Very high	128 Å²	128	96 Å²	96	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-65.4	-40.2	175.1	-73.3	-47	0	0	0	112.5	E146 L147 D148 T153 K154	E146-F150 HydrophobicContact CG-CD2 3.94Å; E146-F150 HydrophobicContact CG-CE2 3.41Å; E146-F150 VanDerWaalsContact CG-CE2 3.41Å; E146-F150 HydrophobicContact CG-CZ 4.1Å; E146-F150 WeakPolarHBondContact O-CD2 3.45Å; E146-F150 PolarHBondContact O-N 3.44Å; E146-F150 WeakPolarHBondContact OE1-CE2 3.23Å; L147-F150 PolarHBondContact O-N 3.07Å; D148-F150 VanDerWaalsContact C-N 3.33Å; D148-F150 PolarHBondContact O-N 3.1Å; F150-T153 PolarHBondContact O-N 3.47Å; F150-K154 WeakPolarHBondContact O-CB 3.4Å; F150-K154 PolarHBondContact O-N 3.36Å
151	R	98.5	Very high	98	Very high	138 Å²	138	96 Å²	96	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-51.1	175.6	178.5	-172.3	165.7	-145.5	-11	110.6	L147 D148 T153 K154 E155	L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 2.84Å; D148-R151 WeakPolarHBondContact O-CB 3.42Å; D148-R151 PolarHBondContact O-N 3.25Å; D148-R151 VanDerWaalsContact O-N 3.16Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 2.88Å; R151-K154 WeakPolarHBondContact O-CB 3.36Å; R151-K154 PolarHBondContact O-N 2.93Å; R151-K154 VanDerWaalsContact O-N 3.16Å; R151-E155 IonicContact CZ-OE1 2.79Å; R151-E155 VanDerWaalsContact CZ-OE1 3.27Å; R151-E155 IonicContact NE-OE1 3.7Å; R151-E155 PolarHBondContact NE-OE1 2.94Å; R151-E155 IonicContact NH2-OE1 2.93Å; R151-E155 PolarHBondContact NH2-OE1 3.47Å; R151-E155 WeakPolarHBondContact O-CG 3.44Å; R151-E155 PolarHBondContact O-N 3.25Å
152	F	98.4	Very high	97.7	Very high	103 Å²	103	98.8 Å²	98.8	45%	0.452	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-43.8	177.8	-78.1	-57.7	0	0	0	112.2	D148 E149 K154 E155 L156	D148-F152 WeakPolarHBondContact O-CD2 3.46Å; D148-F152 PolarHBondContact O-N 3.31Å; D148-F152 WeakPolarHBondContact OD2-CE2 3.41Å; E149-F152 PolarHBondContact O-N 2.94Å; F152-K154 VanDerWaalsContact C-N 3.27Å; F152-K154 PolarHBondContact O-N 3.24Å; F152-E155 PolarHBondContact O-N 3.02Å; F152-L156 WeakPolarHBondContact O-CG 3.3Å; F152-L156 PolarHBondContact O-N 3.28Å
153	T	98.2	Very high	97.4	Very high	82 Å²	82	98.4 Å²	98.4	50%	0.503	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-39.9	176.9	-59.3	0	0	0	0	111.4	E149 F150 R151 V157	E149-T153 WeakPolarHBondContact O-CB 3.34Å; E149-T153 PolarHBondContact O-N 3.5Å; E149-T153 PolarHBondContact O-OG1 2.83Å; F150-T153 PolarHBondContact O-N 3.47Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 2.88Å; T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.46Å; T153-V157 PolarHBondContact O-N 3.21Å; T153-V157 VanDerWaalsContact O-N 3.13Å
154	K	98.4	Very high	96.9	Very high	139 Å²	139	101.4 Å²	101.4	60%	0.604	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-46.4	176.2	178.2	179.5	174.8	171.8	0	111.9	F150 R151 F152 L156 V157 D158	F150-K154 WeakPolarHBondContact O-CB 3.4Å; F150-K154 PolarHBondContact O-N 3.36Å; R151-K154 WeakPolarHBondContact O-CB 3.36Å; R151-K154 PolarHBondContact O-N 2.93Å; R151-K154 VanDerWaalsContact O-N 3.16Å; F152-K154 VanDerWaalsContact C-N 3.27Å; F152-K154 PolarHBondContact O-N 3.24Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 2.87Å; K154-V157 PolarHBondContact O-N 3.44Å; K154-V157 VanDerWaalsContact O-N 3.16Å; K154-D158 PolarHBondContact O-N 3.31Å
155	E	98.4	Very high	96.7	Very high	66 Å²	66	103.9 Å²	103.9	31%	0.308	48%	0.482	S	S	.	.	H	α-helix	trans	-56.9	-46.6	177	-72.6	174.9	-177.1	0	0	110.4	R151 F152 V157 D158 E159	R151-E155 IonicContact CZ-OE1 2.79Å; R151-E155 VanDerWaalsContact CZ-OE1 3.27Å; R151-E155 IonicContact NE-OE1 3.7Å; R151-E155 PolarHBondContact NE-OE1 2.94Å; R151-E155 IonicContact NH2-OE1 2.93Å; R151-E155 PolarHBondContact NH2-OE1 3.47Å; R151-E155 WeakPolarHBondContact O-CG 3.44Å; R151-E155 PolarHBondContact O-N 3.25Å; F152-E155 PolarHBondContact O-N 3.02Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.1Å; E155-D158 PolarHBondContact O-N 3.28Å; E155-D158 VanDerWaalsContact O-N 3.15Å; E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 VanDerWaalsContact O-CG 3.31Å; E155-E159 WeakPolarHBondContact O-CG 3.4Å; E155-E159 PolarHBondContact O-N 3.2Å
156	L	98.1	Very high	96.2	Very high	111 Å²	111	101.7 Å²	101.7	58%	0.581	46%	0.463	S	S	*	.	H	α-helix	trans	-58.9	-39.8	175.3	-73.2	171.4	0	0	0	113.3	F152 K154 E160	F152-L156 WeakPolarHBondContact O-CG 3.3Å; F152-L156 PolarHBondContact O-N 3.28Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-L156 PolarHBondContact O-N 2.87Å; L156-E160 WeakPolarHBondContact O-CB 3.08Å; L156-E160 PolarHBondContact O-N 2.86Å
157	V	98	Very high	95.7	Very high	63 Å²	63	99.1 Å²	99.1	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-68	-39.3	177.3	168.2	0	0	0	0	111.4	T153 K154 E155 R161	T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.46Å; T153-V157 PolarHBondContact O-N 3.21Å; T153-V157 VanDerWaalsContact O-N 3.13Å; K154-V157 PolarHBondContact O-N 3.44Å; K154-V157 VanDerWaalsContact O-N 3.16Å; E155-V157 VanDerWaalsContact C-N 3.34Å; E155-V157 PolarHBondContact O-N 3.1Å; V157-R161 WeakPolarHBondContact O-CB 3.31Å; V157-R161 PolarHBondContact O-N 3.25Å
158	D	98.1	Very high	95.1	Very high	68 Å²	68	101.2 Å²	101.2	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-68.7	-40.1	177.7	-71.7	-23.5	0	0	0	111	K154 E155 R161 W162	K154-D158 PolarHBondContact O-N 3.31Å; E155-D158 PolarHBondContact O-N 3.28Å; E155-D158 VanDerWaalsContact O-N 3.15Å; D158-R161 PolarHBondContact O-N 3.01Å; D158-R161 IonicContact OD1-CZ 3.91Å; D158-R161 IonicContact OD1-NH1 2.82Å; D158-R161 PolarHBondContact OD1-NH1 2.91Å; D158-R161 IonicContact OD1-NH2 2.72Å; D158-W162 WeakPolarHBondContact O-CB 3.36Å; D158-W162 PolarHBondContact O-N 3.48Å
159	E	97.2	Very high	94.7	Very high	116 Å²	116	104 Å²	104	54%	0.542	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-45.6	171.9	-72.6	173.6	168.1	0	0	112.4	E155 R161 W162 F163	E155-E159 WeakPolarHBondContact O-CB 3.44Å; E155-E159 VanDerWaalsContact O-CG 3.31Å; E155-E159 WeakPolarHBondContact O-CG 3.4Å; E155-E159 PolarHBondContact O-N 3.2Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.85Å; E159-W162 PolarHBondContact O-N 3.35Å; E159-F163 VanDerWaalsContact O-CB 3.29Å; E159-F163 WeakPolarHBondContact O-CB 3.12Å; E159-F163 PolarHBondContact O-N 3.39Å
160	E	94.5	Very high	94.3	Very high	64 Å²	64	103.7 Å²	103.7	30%	0.299	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-40	177.1	-169.7	-169	-155.1	0	0	111.1	L156 F163 R164	L156-E160 WeakPolarHBondContact O-CB 3.08Å; L156-E160 PolarHBondContact O-N 2.86Å; E160-F163 PolarHBondContact O-N 3.3Å; E160-R164 VanDerWaalsContact CD-NH2 3.3Å; E160-R164 WeakPolarHBondContact O-CB 3.2Å; E160-R164 WeakPolarHBondContact O-CG 3.27Å; E160-R164 PolarHBondContact O-N 2.81Å; E160-R164 IonicContact OE1-CZ 2.64Å; E160-R164 IonicContact OE1-NH1 3.13Å; E160-R164 PolarHBondContact OE1-NH1 3.39Å; E160-R164 IonicContact OE1-NH2 3.72Å; E160-R164 PolarHBondContact OE1-NH2 2.94Å; E160-R164 IonicContact OE2-CZ 3.58Å; E160-R164 IonicContact OE2-NH1 3.5Å; E160-R164 PolarHBondContact OE2-NH1 3.37Å; E160-R164 IonicContact OE2-NH2 3.3Å
161	R	95.6	Very high	93.5	Very high	147 Å²	147	100.4 Å²	100.4	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-64.8	-44	176.2	-168.8	-176	-59.9	118.4	5.6	111.2	V157 D158 E159 K165	V157-R161 WeakPolarHBondContact O-CB 3.31Å; V157-R161 PolarHBondContact O-N 3.25Å; D158-R161 PolarHBondContact O-N 3.01Å; D158-R161 IonicContact OD1-CZ 3.91Å; D158-R161 IonicContact OD1-NH1 2.82Å; D158-R161 PolarHBondContact OD1-NH1 2.91Å; D158-R161 IonicContact OD1-NH2 2.72Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.85Å; R161-K165 WeakPolarHBondContact O-CB 3.37Å; R161-K165 PolarHBondContact O-N 2.87Å; R161-K165 VanDerWaalsContact O-N 3.11Å
162	W	93.9	Very high	92.7	Very high	165 Å²	165	100.3 Å²	100.3	63%	0.625	48%	0.482	S	S	*	.	H	α-helix	trans	-61.4	-47	174.6	171.5	86	0	0	0	111.4	D158 E159 K165 S166	D158-W162 WeakPolarHBondContact O-CB 3.36Å; D158-W162 PolarHBondContact O-N 3.48Å; E159-W162 PolarHBondContact O-N 3.35Å; W162-K165 PolarHBondContact O-N 3.35Å; W162-S166 PolarHBondContact O-N 2.93Å
163	F	90.7	Very high	91.8	Very high	63 Å²	63	98.9 Å²	98.9	28%	0.276	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-49.7	179.5	-178.9	-107.6	0	0	0	111.3	E159 E160 K165 S166 Q167 F173	E159-F163 VanDerWaalsContact O-CB 3.29Å; E159-F163 WeakPolarHBondContact O-CB 3.12Å; E159-F163 PolarHBondContact O-N 3.39Å; E160-F163 PolarHBondContact O-N 3.3Å; F163-K165 VanDerWaalsContact C-N 3.33Å; F163-K165 PolarHBondContact O-N 3.47Å; F163-S166 PolarHBondContact O-N 3.35Å; F163-Q167 HydrophobicContact CD1-CG 4.3Å; F163-Q167 HydrophobicContact CE1-CG 4.06Å; F163-Q167 VanDerWaalsContact CE1-OE1 3.3Å; F163-Q167 HydrophobicContact CE2-CG 4.32Å; F163-Q167 HydrophobicContact CZ-CG 4.07Å; F163-Q167 VanDerWaalsContact O-CG 3.31Å; F163-Q167 WeakPolarHBondContact O-CG 3.49Å; F163-Q167 PolarHBondContact O-N 3.37Å; F163-F173 HydrophobicContact CE2-CB 4.35Å; F163-F173 HydrophobicContact CE2-CD1 4.29Å; F163-F173 HydrophobicContact CE2-CG 4.28Å; F163-F173 HydrophobicContact CZ-CB 4.46Å
164	R	88.9	Confident	91	Very high	129 Å²	129	104.5 Å²	104.5	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-56.9	-43.4	176.1	-78.2	-179.1	174.4	129	5	112.8	E160 Q167 L168	E160-R164 VanDerWaalsContact CD-NH2 3.3Å; E160-R164 WeakPolarHBondContact O-CB 3.2Å; E160-R164 WeakPolarHBondContact O-CG 3.27Å; E160-R164 PolarHBondContact O-N 2.81Å; E160-R164 IonicContact OE1-CZ 2.64Å; E160-R164 IonicContact OE1-NH1 3.13Å; E160-R164 PolarHBondContact OE1-NH1 3.39Å; E160-R164 IonicContact OE1-NH2 3.72Å; E160-R164 PolarHBondContact OE1-NH2 2.94Å; E160-R164 IonicContact OE2-CZ 3.58Å; E160-R164 IonicContact OE2-NH1 3.5Å; E160-R164 PolarHBondContact OE2-NH1 3.37Å; E160-R164 IonicContact OE2-NH2 3.3Å; R164-Q167 PolarHBondContact O-N 2.82Å; R164-L168 PolarHBondContact O-N 3.47Å; R164-L168 VanDerWaalsContact O-N 3.16Å
165	K	92.3	Very high	90.2	Very high	130 Å²	130	98.7 Å²	98.7	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-63.4	-46.9	177	-178	178.1	172.3	-179.1	0	111	R161 W162 F163 Q167 L168 E169	R161-K165 WeakPolarHBondContact O-CB 3.37Å; R161-K165 PolarHBondContact O-N 2.87Å; R161-K165 VanDerWaalsContact O-N 3.11Å; W162-K165 PolarHBondContact O-N 3.35Å; F163-K165 VanDerWaalsContact C-N 3.33Å; F163-K165 PolarHBondContact O-N 3.47Å; K165-Q167 VanDerWaalsContact C-N 3.3Å; K165-Q167 PolarHBondContact O-N 2.98Å; K165-L168 PolarHBondContact O-N 3.32Å; K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.27Å; K165-E169 WeakPolarHBondContact O-CG 3.11Å; K165-E169 PolarHBondContact O-N 2.95Å
166	S	89.7	Confident	89.3	Confident	6 Å²	6	105 Å²	105	4%	0.042	49%	0.488	C	S	.	.	H	α-helix	trans	-66.3	-32.2	179.6	-166.3	0	0	0	0	112.8	W162 F163 K170 F173	W162-S166 PolarHBondContact O-N 2.93Å; F163-S166 PolarHBondContact O-N 3.35Å; S166-K170 WeakPolarHBondContact O-CB 3.38Å; S166-K170 PolarHBondContact O-N 2.97Å; S166-F173 VanDerWaalsContact OG-CE2 3.25Å; S166-F173 WeakPolarHBondContact OG-CE2 3.28Å
167	Q	87.2	Confident	88.3	Confident	48 Å²	48	109.7 Å²	109.7	22%	0.224	50%	0.5	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173	-74.9	-175	-51.9	0	0	112.2	F163 R164 K165 G171 F173	F163-Q167 HydrophobicContact CD1-CG 4.3Å; F163-Q167 HydrophobicContact CE1-CG 4.06Å; F163-Q167 VanDerWaalsContact CE1-OE1 3.3Å; F163-Q167 HydrophobicContact CE2-CG 4.32Å; F163-Q167 HydrophobicContact CZ-CG 4.07Å; F163-Q167 VanDerWaalsContact O-CG 3.31Å; F163-Q167 WeakPolarHBondContact O-CG 3.49Å; F163-Q167 PolarHBondContact O-N 3.37Å; R164-Q167 PolarHBondContact O-N 2.82Å; K165-Q167 VanDerWaalsContact C-N 3.3Å; K165-Q167 PolarHBondContact O-N 2.98Å; Q167-G171 WeakPolarHBondContact O-CA 3.3Å; Q167-G171 PolarHBondContact O-N 3.47Å; Q167-F173 HydrophobicContact CG-CB 4.07Å; Q167-F173 HydrophobicContact CG-CD2 3.94Å; Q167-F173 HydrophobicContact CG-CG 4.31Å
168	L	85.5	Confident	87.6	Confident	158 Å²	158	111 Å²	111	83%	0.827	50%	0.501	S	S	*	.	H	α-helix	trans	-66.2	-38.6	178	-175.3	65.7	0	0	0	112	R164 K165	R164-L168 PolarHBondContact O-N 3.47Å; R164-L168 VanDerWaalsContact O-N 3.16Å; K165-L168 PolarHBondContact O-N 3.32Å
169	E	91.1	Very high	86.9	Confident	129 Å²	129	114.6 Å²	114.6	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-75.6	-45.9	-178.5	-71.9	174.4	179.4	0	0	113.3	K165	K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 IonicContact NZ-OE1 3.27Å; K165-E169 WeakPolarHBondContact O-CG 3.11Å; K165-E169 PolarHBondContact O-N 2.95Å
170	K	89.5	Confident	86.4	Confident	124 Å²	124	113.7 Å²	113.7	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-97.9	-35.7	-171.7	-62	-178.6	-178.4	172.3	0	113.4	S166 D172 F173	S166-K170 WeakPolarHBondContact O-CB 3.38Å; S166-K170 PolarHBondContact O-N 2.97Å; K170-D172 HydrophobicContact CB-CB 4.38Å; K170-D172 PolarHBondContact O-N 3.38Å; K170-F173 HydrophobicContact CB-CE2 4.39Å; K170-F173 HydrophobicContact CD-CE2 4.19Å; K170-F173 HydrophobicContact CD-CZ 4.47Å
171	G	80.9	Confident	85.8	Confident	59 Å²	59	116.7 Å²	116.7	61%	0.608	55%	0.545	S	S	*	.			trans	66.8	-2.3	-172.2	0	0	0	0	0	115.6	Q167 F173	Q167-G171 WeakPolarHBondContact O-CA 3.3Å; Q167-G171 PolarHBondContact O-N 3.47Å; G171-F173 VanDerWaalsContact C-N 3.33Å; G171-F173 PolarHBondContact O-N 3.33Å
172	D	82.2	Confident	85.4	Confident	136 Å²	136	115.2 Å²	115.2	73%	0.727	55%	0.548	S	S	*	.			trans	-79.8	-5.9	-171.4	-63.4	-30.6	0	0	0	115.1	K170	K170-D172 HydrophobicContact CB-CB 4.38Å; K170-D172 PolarHBondContact O-N 3.38Å
173	F	79.5	Confident	85	Confident	74 Å²	74	110.8 Å²	110.8	33%	0.325	54%	0.54	S	S	.	.	S	Bend	trans	-95.7	138.7	-175.7	-55.6	-83.3	0	0	0	112.1	F163 S166 Q167 K170 G171 G175	F163-F173 HydrophobicContact CE2-CB 4.35Å; F163-F173 HydrophobicContact CE2-CD1 4.29Å; F163-F173 HydrophobicContact CE2-CG 4.28Å; F163-F173 HydrophobicContact CZ-CB 4.46Å; S166-F173 VanDerWaalsContact OG-CE2 3.25Å; S166-F173 WeakPolarHBondContact OG-CE2 3.28Å; Q167-F173 HydrophobicContact CG-CB 4.07Å; Q167-F173 HydrophobicContact CG-CD2 3.94Å; Q167-F173 HydrophobicContact CG-CG 4.31Å; K170-F173 HydrophobicContact CB-CE2 4.39Å; K170-F173 HydrophobicContact CD-CE2 4.19Å; K170-F173 HydrophobicContact CD-CZ 4.47Å; G171-F173 VanDerWaalsContact C-N 3.33Å; G171-F173 PolarHBondContact O-N 3.33Å; F173-G175 VanDerWaalsContact C-N 3.26Å; F173-G175 PolarHBondContact O-N 2.97Å
174	R	81.8	Confident	85	Confident	200 Å²	200	112.2 Å²	112.2	76%	0.755	55%	0.554	S	S	*	*			trans	-72.9	80.7	166.1	-174.3	178.9	-71.5	-142.7	0.9	110	F178	R174-F178 HydrophobicContact CB-CG 4.4Å; R174-F178 HydrophobicContact CG-CB 3.83Å; R174-F178 HydrophobicContact CG-CD1 3.82Å; R174-F178 HydrophobicContact CG-CD2 4.44Å; R174-F178 HydrophobicContact CG-CE1 4.5Å; R174-F178 HydrophobicContact CG-CG 3.77Å
175	G	80.1	Confident	85.1	Confident	17 Å²	17	108.5 Å²	108.5	18%	0.175	56%	0.556	C	S	.	*			trans	-73.3	178.1	172.9	0	0	0	0	0	113.9	F173 Y177 F178	F173-G175 VanDerWaalsContact C-N 3.26Å; F173-G175 PolarHBondContact O-N 2.97Å; G175-Y177 PolarHBondContact O-N 2.87Å; G175-Y177 VanDerWaalsContact O-N 3.16Å; G175-F178 WeakPolarHBondContact O-CB 3.34Å; G175-F178 PolarHBondContact O-N 3.33Å; G175-F178 VanDerWaalsContact O-N 3.12Å
176	W	80.2	Confident	84.9	Confident	197 Å²	197	107 Å²	107	75%	0.746	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-27.3	176	-63.9	-49.9	0	0	0	114
177	Y	77.4	Confident	84.9	Confident	210 Å²	210	110.9 Å²	110.9	82%	0.824	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	17.8	-179.5	-56.2	-72.2	0	0	0	113.6	G175 I179	G175-Y177 PolarHBondContact O-N 2.87Å; G175-Y177 VanDerWaalsContact O-N 3.16Å; Y177-I179 PolarHBondContact O-N 2.79Å
178	F	82.8	Confident	85.1	Confident	92 Å²	92	110.5 Å²	110.5	40%	0.404	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-63.9	121.6	179.1	173.5	-99.3	0	0	0	111.3	R174 G175 P180	R174-F178 HydrophobicContact CB-CG 4.4Å; R174-F178 HydrophobicContact CG-CB 3.83Å; R174-F178 HydrophobicContact CG-CD1 3.82Å; R174-F178 HydrophobicContact CG-CD2 4.44Å; R174-F178 HydrophobicContact CG-CE1 4.5Å; R174-F178 HydrophobicContact CG-CG 3.77Å; G175-F178 WeakPolarHBondContact O-CB 3.34Å; G175-F178 PolarHBondContact O-N 3.33Å; G175-F178 VanDerWaalsContact O-N 3.12Å; F178-P180 HydrophobicContact CE1-CB 3.87Å; F178-P180 HydrophobicContact CZ-CB 4.35Å
179	I	83.5	Confident	85.4	Confident	142 Å²	142	105.6 Å²	105.6	73%	0.728	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-102.1	117.3	172.4	-59.1	165.2	0	0	0	107.1	Y177 V181	Y177-I179 PolarHBondContact O-N 2.79Å; I179-V181 PolarHBondContact O-N 2.97Å
180	P	86.5	Confident	85.6	Confident	97 Å²	97	106 Å²	106	63%	0.63	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-65.4	127.2	178.5	26.3	-32.7	0	0	0	110.6	F178	F178-P180 HydrophobicContact CE1-CB 3.87Å; F178-P180 HydrophobicContact CZ-CB 4.35Å
181	V	81.6	Confident	85.9	Confident	128 Å²	128	105.1 Å²	105.1	78%	0.776	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-74.1	135.2	171	-175.1	0	0	0	0	108.8	I179 P183	I179-V181 PolarHBondContact O-N 2.97Å; V181-P183 WeakPolarHBondContact O-CD 3.31Å
182	N	87.5	Confident	86.6	Confident	115 Å²	115	110.4 Å²	110.4	62%	0.615	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-68.6	116.5	173.6	-177.6	-10.3	0	0	0	110	T184	N182-T184 VanDerWaalsContact C-N 3.27Å; N182-T184 PolarHBondContact O-N 3.19Å; N182-T184 WeakPolarHBondContact OD1-CB 3.41Å; N182-T184 PolarHBondContact OD1-N 3.49Å; N182-T184 VanDerWaalsContact OD1-N 3.14Å; N182-T184 PolarHBondContact OD1-OG1 2.95Å
183	P	86.9	Confident	87.2	Confident	73 Å²	73	109 Å²	109	47%	0.474	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-11	-173.5	31.8	-36.7	0	0	0	113.9	V181 G185 V186 N187	V181-P183 WeakPolarHBondContact O-CD 3.31Å; P183-G185 PolarHBondContact O-N 2.92Å; P183-G185 VanDerWaalsContact O-N 3.12Å; P183-V186 PolarHBondContact O-N 3.27Å; P183-N187 PolarHBondContact O-N 3.39Å
184	T	90.3	Very high	88	Confident	92 Å²	92	107.5 Å²	107.5	56%	0.564	55%	0.548	S	S	*	.	H	α-helix	trans	-53.3	-38.8	-174	-59.4	0	0	0	0	113.1	N182 S188	N182-T184 VanDerWaalsContact C-N 3.27Å; N182-T184 PolarHBondContact O-N 3.19Å; N182-T184 WeakPolarHBondContact OD1-CB 3.41Å; N182-T184 PolarHBondContact OD1-N 3.49Å; N182-T184 VanDerWaalsContact OD1-N 3.14Å; N182-T184 PolarHBondContact OD1-OG1 2.95Å; T184-S188 WeakPolarHBondContact O-CB 3.42Å; T184-S188 PolarHBondContact O-N 2.98Å; T184-S188 VanDerWaalsContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.01Å
185	G	89.7	Confident	88.5	Confident	51 Å²	51	104 Å²	104	53%	0.526	54%	0.538	S	S	.	.	H	α-helix	trans	-67.2	-39	178.2	0	0	0	0	0	113.8	P183 S188 S189	P183-G185 PolarHBondContact O-N 2.92Å; P183-G185 VanDerWaalsContact O-N 3.12Å; G185-S188 PolarHBondContact O-OG 3.43Å; G185-S188 VanDerWaalsContact O-OG 3.05Å; G185-S189 PolarHBondContact O-N 3.28Å
186	V	88.6	Confident	89.1	Confident	99 Å²	99	108.5 Å²	108.5	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-76.5	-40.4	179.8	179.7	0	0	0	0	111	P183 S188 S189 F190	P183-V186 PolarHBondContact O-N 3.27Å; V186-S188 PolarHBondContact O-N 3.07Å; V186-S189 PolarHBondContact O-N 3.4Å; V186-S189 PolarHBondContact O-OG 2.91Å; V186-F190 PolarHBondContact O-N 2.96Å
187	N	90.5	Very high	89.7	Confident	87 Å²	87	105.4 Å²	105.4	47%	0.465	55%	0.552	S	S	.	*	H	α-helix	trans	-62.6	-44.5	177.4	-67.3	-6.6	0	0	0	111	P183 S189 F190 E191	P183-N187 PolarHBondContact O-N 3.39Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 PolarHBondContact O-N 3.4Å; N187-F190 PolarHBondContact O-N 3.47Å; N187-E191 WeakPolarHBondContact O-CG 3.08Å; N187-E191 PolarHBondContact O-N 3.47Å
188	S	92	Very high	90.4	Very high	40 Å²	40	101 Å²	101	28%	0.28	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-29.7	178.6	57.6	0	0	0	0	113.8	T184 G185 V186 R192	T184-S188 WeakPolarHBondContact O-CB 3.42Å; T184-S188 PolarHBondContact O-N 2.98Å; T184-S188 VanDerWaalsContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.01Å; G185-S188 PolarHBondContact O-OG 3.43Å; G185-S188 VanDerWaalsContact O-OG 3.05Å; V186-S188 PolarHBondContact O-N 3.07Å; S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.21Å; S188-R192 PolarHBondContact O-N 3.46Å
189	S	91.5	Very high	90.9	Very high	55 Å²	55	99 Å²	99	39%	0.385	54%	0.539	S	S	.	.	H	α-helix	trans	-73.6	-39.7	173.4	66.6	0	0	0	0	112	G185 V186 N187 R192 L193	G185-S189 PolarHBondContact O-N 3.28Å; V186-S189 PolarHBondContact O-N 3.4Å; V186-S189 PolarHBondContact O-OG 2.91Å; N187-S189 VanDerWaalsContact C-N 3.34Å; N187-S189 PolarHBondContact O-N 3.4Å; S189-R192 PolarHBondContact O-N 2.84Å; S189-L193 WeakPolarHBondContact O-CG 3.24Å; S189-L193 PolarHBondContact O-N 2.91Å
190	F	95.5	Very high	91.2	Very high	137 Å²	137	94.3 Å²	94.3	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-43.4	174.6	-175.4	-97.3	0	0	0	112.2	V186 N187 R192 L193 T194	V186-F190 PolarHBondContact O-N 2.96Å; N187-F190 PolarHBondContact O-N 3.47Å; F190-R192 VanDerWaalsContact C-N 3.27Å; F190-R192 PolarHBondContact O-N 3.44Å; F190-L193 PolarHBondContact O-N 3.36Å; F190-T194 HydrophobicContact CD1-CG2 4.17Å; F190-T194 HydrophobicContact CE1-CG2 3.77Å; F190-T194 HydrophobicContact CZ-CG2 3.96Å; F190-T194 WeakPolarHBondContact O-CG2 3.49Å; F190-T194 PolarHBondContact O-N 3.02Å; F190-T194 PolarHBondContact O-OG1 2.91Å
191	E	95.5	Very high	91.2	Very high	106 Å²	106	95.6 Å²	95.6	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-32.4	174	-76.7	177.9	-165	0	0	113.3	N187 T194 K195	N187-E191 WeakPolarHBondContact O-CG 3.08Å; N187-E191 PolarHBondContact O-N 3.47Å; E191-T194 VanDerWaalsContact C-OG1 3.26Å; E191-T194 VanDerWaalsContact CA-OG1 3.24Å; E191-T194 WeakPolarHBondContact CA-OG1 3.31Å; E191-T194 PolarHBondContact O-OG1 3.35Å; E191-K195 WeakPolarHBondContact O-CD 3.32Å; E191-K195 VanDerWaalsContact O-CG 3.25Å; E191-K195 WeakPolarHBondContact O-CG 3.08Å; E191-K195 PolarHBondContact O-N 2.97Å
192	R	95.5	Very high	91.2	Very high	171 Å²	171	95.5 Å²	95.5	65%	0.645	52%	0.518	S	S	*	.	H	α-helix	trans	-72.6	-46.6	175.1	-72.9	170.4	-175.7	176.1	2	111.3	S188 S189 F190 T194 K195 D196	S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.21Å; S188-R192 PolarHBondContact O-N 3.46Å; S189-R192 PolarHBondContact O-N 2.84Å; F190-R192 VanDerWaalsContact C-N 3.27Å; F190-R192 PolarHBondContact O-N 3.44Å; R192-T194 VanDerWaalsContact C-N 3.31Å; R192-T194 PolarHBondContact O-N 2.85Å; R192-K195 PolarHBondContact O-N 2.99Å; R192-D196 VanDerWaalsContact O-CG 3.22Å; R192-D196 PolarHBondContact O-N 3.38Å
193	L	95	Very high	91	Very high	107 Å²	107	96.1 Å²	96.1	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-40.7	178.3	-72	173	0	0	0	112.5	S189 F190 D196 Q197	S189-L193 WeakPolarHBondContact O-CG 3.24Å; S189-L193 PolarHBondContact O-N 2.91Å; F190-L193 PolarHBondContact O-N 3.36Å; L193-D196 PolarHBondContact O-N 2.88Å; L193-Q197 WeakPolarHBondContact O-CB 3.44Å; L193-Q197 WeakPolarHBondContact O-CG 3.22Å; L193-Q197 PolarHBondContact O-N 3.28Å
194	T	94.7	Very high	90.3	Very high	41 Å²	41	97.3 Å²	97.3	25%	0.252	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-46.9	176.4	43	0	0	0	0	111.4	F190 E191 R192 D196 Q197 E198	F190-T194 HydrophobicContact CD1-CG2 4.17Å; F190-T194 HydrophobicContact CE1-CG2 3.77Å; F190-T194 HydrophobicContact CZ-CG2 3.96Å; F190-T194 WeakPolarHBondContact O-CG2 3.49Å; F190-T194 PolarHBondContact O-N 3.02Å; F190-T194 PolarHBondContact O-OG1 2.91Å; E191-T194 VanDerWaalsContact C-OG1 3.26Å; E191-T194 VanDerWaalsContact CA-OG1 3.24Å; E191-T194 WeakPolarHBondContact CA-OG1 3.31Å; E191-T194 PolarHBondContact O-OG1 3.35Å; R192-T194 VanDerWaalsContact C-N 3.31Å; R192-T194 PolarHBondContact O-N 2.85Å; T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 PolarHBondContact O-N 3.07Å; T194-Q197 PolarHBondContact O-N 3.18Å; T194-E198 WeakPolarHBondContact O-CB 3.37Å; T194-E198 VanDerWaalsContact O-CG 3.32Å; T194-E198 WeakPolarHBondContact O-CG 3.39Å; T194-E198 PolarHBondContact O-N 3.29Å
195	K	92.8	Very high	89.3	Confident	127 Å²	127	105.7 Å²	105.7	55%	0.552	56%	0.557	S	S	*	*	H	α-helix	trans	-59.4	-40.5	173.5	-73.8	172.1	-175.8	170.7	0	112.8	E191 R192 E198 A199	E191-K195 WeakPolarHBondContact O-CD 3.32Å; E191-K195 VanDerWaalsContact O-CG 3.25Å; E191-K195 WeakPolarHBondContact O-CG 3.08Å; E191-K195 PolarHBondContact O-N 2.97Å; R192-K195 PolarHBondContact O-N 2.99Å; K195-E198 PolarHBondContact O-N 3.28Å; K195-A199 WeakPolarHBondContact O-CB 3.22Å; K195-A199 PolarHBondContact O-N 2.98Å
196	D	93.6	Very high	89.2	Confident	111 Å²	111	108.5 Å²	108.5	59%	0.594	56%	0.558	S	S	*	*	H	α-helix	trans	-67.5	-39	178.7	-68.4	-21.8	0	0	0	111.7	R192 L193 T194 G200	R192-D196 VanDerWaalsContact O-CG 3.22Å; R192-D196 PolarHBondContact O-N 3.38Å; L193-D196 PolarHBondContact O-N 2.88Å; T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 PolarHBondContact O-N 3.07Å; D196-G200 PolarHBondContact O-N 3.16Å
197	Q	93	Very high	89.3	Confident	133 Å²	133	108.9 Å²	108.9	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-66.7	-43.6	174.1	-76.2	-173.3	-17.7	0	0	112.3	L193 T194 A199 G200 Q201	L193-Q197 WeakPolarHBondContact O-CB 3.44Å; L193-Q197 WeakPolarHBondContact O-CG 3.22Å; L193-Q197 PolarHBondContact O-N 3.28Å; T194-Q197 PolarHBondContact O-N 3.18Å; Q197-A199 VanDerWaalsContact C-N 3.35Å; Q197-G200 PolarHBondContact O-N 2.62Å; Q197-Q201 WeakPolarHBondContact O-CG 3.28Å; Q197-Q201 PolarHBondContact O-N 3.12Å
198	E	92.4	Very high	89.2	Confident	118 Å²	118	110.2 Å²	110.2	55%	0.551	56%	0.561	S	S	*	*	H	α-helix	trans	-59.7	-45.7	174.5	-73.8	172.8	-178.1	0	0	110.9	T194 K195 G200 Q201 L202	T194-E198 WeakPolarHBondContact O-CB 3.37Å; T194-E198 VanDerWaalsContact O-CG 3.32Å; T194-E198 WeakPolarHBondContact O-CG 3.39Å; T194-E198 PolarHBondContact O-N 3.29Å; K195-E198 PolarHBondContact O-N 3.28Å; E198-G200 PolarHBondContact O-N 2.89Å; E198-Q201 PolarHBondContact O-N 3.49Å; E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.45Å
199	A	91.9	Very high	89	Confident	50 Å²	50	114.3 Å²	114.3	41%	0.413	58%	0.578	S	S	.	*	H	α-helix	trans	-61	-43.2	176	0	0	0	0	0	112.3	K195 Q197 Q201 L202 V203	K195-A199 WeakPolarHBondContact O-CB 3.22Å; K195-A199 PolarHBondContact O-N 2.98Å; Q197-A199 VanDerWaalsContact C-N 3.35Å; A199-Q201 VanDerWaalsContact C-N 3.35Å; A199-Q201 PolarHBondContact O-N 2.92Å; A199-L202 PolarHBondContact O-N 3.13Å; A199-V203 WeakPolarHBondContact O-CG2 3.34Å; A199-V203 PolarHBondContact O-N 3.44Å
200	G	89.7	Confident	88.9	Confident	42 Å²	42	118 Å²	118	43%	0.433	59%	0.59	S	S	.	*	H	α-helix	trans	-64.8	-35.5	176.1	0	0	0	0	0	113.7	D196 Q197 E198 V203 S204	D196-G200 PolarHBondContact O-N 3.16Å; Q197-G200 PolarHBondContact O-N 2.62Å; E198-G200 PolarHBondContact O-N 2.89Å; G200-V203 PolarHBondContact O-N 2.88Å; G200-S204 PolarHBondContact O-N 3.27Å; G200-S204 PolarHBondContact O-OG 2.75Å
201	Q	87.3	Confident	88.4	Confident	125 Å²	125	116.7 Å²	116.7	58%	0.584	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-34.1	174.3	-74.1	-179.4	10.3	0	0	112.3	Q197 E198 A199 S204 R205	Q197-Q201 WeakPolarHBondContact O-CG 3.28Å; Q197-Q201 PolarHBondContact O-N 3.12Å; E198-Q201 PolarHBondContact O-N 3.49Å; A199-Q201 VanDerWaalsContact C-N 3.35Å; A199-Q201 PolarHBondContact O-N 2.92Å; Q201-S204 WeakPolarHBondContact CA-OG 3.38Å; Q201-S204 PolarHBondContact O-OG 3.07Å; Q201-S204 VanDerWaalsContact O-OG 3.1Å; Q201-R205 PolarHBondContact O-N 2.91Å
202	L	81.8	Confident	87.9	Confident	126 Å²	126	117.5 Å²	117.5	66%	0.66	60%	0.596	S	S	*	*	H	α-helix	trans	-71.3	-34	175.4	-68.5	174.2	0	0	0	112.7	E198 A199 S204	E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.45Å; A199-L202 PolarHBondContact O-N 3.13Å; L202-S204 VanDerWaalsContact C-N 3.3Å
203	V	82.5	Confident	87.4	Confident	127 Å²	127	113.4 Å²	113.4	77%	0.77	59%	0.592	S	S	*	*	H	α-helix	trans	-72.5	-24.9	176.5	172.9	0	0	0	0	112.4	A199 G200	A199-V203 WeakPolarHBondContact O-CG2 3.34Å; A199-V203 PolarHBondContact O-N 3.44Å; G200-V203 PolarHBondContact O-N 2.88Å
204	S	73	Confident	86.7	Confident	99 Å²	99	113.9 Å²	113.9	69%	0.692	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-2.6	-179.1	52.6	0	0	0	0	114.6	G200 Q201 L202	G200-S204 PolarHBondContact O-N 3.27Å; G200-S204 PolarHBondContact O-OG 2.75Å; Q201-S204 WeakPolarHBondContact CA-OG 3.38Å; Q201-S204 PolarHBondContact O-OG 3.07Å; Q201-S204 VanDerWaalsContact O-OG 3.1Å; L202-S204 VanDerWaalsContact C-N 3.3Å
205	R	67.9	Low	86	Confident	268 Å²	268	120.5 Å²	120.5	100%	1.011	63%	0.626	S	S	*	*			trans	-98.4	0	171.5	-80	-174.5	172.3	-177.1	0.3	111.2	Q201	Q201-R205 PolarHBondContact O-N 2.91Å

Retrieved 205 of 205 residues in 61.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).