A0A5K4F5R8_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5R8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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	52.2	Low	66.1	Low	218 Å²	218	121.2 Å²	121.2	100%	1.074	64%	0.638	S	S	*	*				0	-38.3	0	-74.4	-100.1	157.5	0	0	113.4
2	S	71.2	Confident	65.8	Low	97 Å²	97	115.9 Å²	115.9	68%	0.678	62%	0.618	S	S	*	*	H	α-helix	trans	-67.7	-38.9	-175.1	-178.1	0	0	0	0	116.1	L4 L5 F6	S2-L4 PolarHBondContact O-N 3.4Å; S2-L5 PolarHBondContact O-N 2.95Å; S2-F6 PolarHBondContact O-N 3.21Å
3	Q	65.3	Low	65.4	Low	166 Å²	166	112.5 Å²	112.5	78%	0.776	61%	0.609	S	S	*	*	H	α-helix	trans	-68.6	-35.5	-174.3	-69.9	177.6	-17.3	0	0	114.1	F6 I7	Q3-F6 PolarHBondContact O-N 3.36Å; Q3-I7 WeakPolarHBondContact O-CG1 3.43Å; Q3-I7 PolarHBondContact O-N 3.23Å
4	L	69.6	Low	64.6	Low	133 Å²	133	108.5 Å²	108.5	70%	0.696	59%	0.594	S	S	*	*	H	α-helix	trans	-67.4	-39.9	179.4	-116.2	142.5	0	0	0	111.7	S2 F6 I7 V8	S2-L4 PolarHBondContact O-N 3.4Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3.44Å; L4-I7 PolarHBondContact O-N 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 2.89Å
5	L	64.6	Low	63.9	Low	115 Å²	115	107.8 Å²	107.8	60%	0.602	59%	0.589	S	S	*	*	H	α-helix	trans	-61.3	-40.2	174	-88.6	157.7	0	0	0	112	S2 V8 L9	S2-L5 PolarHBondContact O-N 2.95Å; L5-V8 PolarHBondContact O-N 3.39Å; L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 WeakPolarHBondContact O-CD1 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.21Å; L5-L9 PolarHBondContact O-N 3.5Å
6	F	64.5	Low	62.6	Low	140 Å²	140	108.3 Å²	108.3	61%	0.614	59%	0.587	S	S	*	*	H	α-helix	trans	-66.8	-40.5	179.8	-152.9	-91.5	0	0	0	112.3	S2 Q3 L4 L9 C10	S2-F6 PolarHBondContact O-N 3.21Å; Q3-F6 PolarHBondContact O-N 3.36Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3.44Å; F6-L9 PolarHBondContact O-N 2.8Å; F6-C10 PolarHBondContact O-N 2.91Å; F6-C10 PolarHBondContact O-SG 3.09Å
7	I	73	Confident	61.8	Low	102 Å²	102	107.8 Å²	107.8	52%	0.523	58%	0.582	S	S	.	*	H	α-helix	trans	-66	-44.2	176.9	-65.4	167.7	0	0	0	110.6	Q3 L4 L9 C10 I11	Q3-I7 WeakPolarHBondContact O-CG1 3.43Å; Q3-I7 PolarHBondContact O-N 3.23Å; L4-I7 PolarHBondContact O-N 3.15Å; I7-L9 VanDerWaalsContact C-N 3.32Å; I7-L9 PolarHBondContact O-N 3.29Å; I7-C10 PolarHBondContact O-N 2.95Å; I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.38Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.21Å
8	V	71	Confident	61.3	Low	86 Å²	86	107.8 Å²	107.8	52%	0.521	58%	0.58	S	S	.	*	H	α-helix	trans	-62.2	-39.4	177.5	173.5	0	0	0	0	111.4	L4 L5 I11 S12	L4-V8 VanDerWaalsContact O-CG2 3.31Å; L4-V8 WeakPolarHBondContact O-CG2 3.48Å; L4-V8 PolarHBondContact O-N 2.89Å; L5-V8 PolarHBondContact O-N 3.39Å; V8-I11 PolarHBondContact O-N 2.9Å; V8-S12 WeakPolarHBondContact O-CB 3.45Å; V8-S12 PolarHBondContact O-N 3.17Å; V8-S12 PolarHBondContact O-OG 3.01Å
9	L	64.6	Low	60.5	Low	107 Å²	107	107.4 Å²	107.4	56%	0.56	58%	0.577	S	S	*	*	H	α-helix	trans	-65.2	-40.1	174.1	-79	161.9	0	0	0	112.6	L5 F6 I7 S12 S13	L5-L9 WeakPolarHBondContact O-CB 3.31Å; L5-L9 WeakPolarHBondContact O-CD1 3.36Å; L5-L9 WeakPolarHBondContact O-CG 3.21Å; L5-L9 PolarHBondContact O-N 3.5Å; F6-L9 PolarHBondContact O-N 2.8Å; I7-L9 VanDerWaalsContact C-N 3.32Å; I7-L9 PolarHBondContact O-N 3.29Å; L9-S12 PolarHBondContact O-OG 3.5Å; L9-S12 VanDerWaalsContact O-OG 3.14Å; L9-S13 VanDerWaalsContact O-CB 3.29Å; L9-S13 WeakPolarHBondContact O-CB 3.47Å; L9-S13 PolarHBondContact O-N 3.5Å
10	C	62.1	Low	59.5	Low	64 Å²	64	110.3 Å²	110.3	43%	0.432	59%	0.587	S	S	.	*	H	α-helix	trans	-65.7	-40.3	175.6	-78	0	0	0	0	112.2	F6 I7 S14	F6-C10 PolarHBondContact O-N 2.91Å; F6-C10 PolarHBondContact O-SG 3.09Å; I7-C10 PolarHBondContact O-N 2.95Å; C10-S14 WeakPolarHBondContact O-CB 3.35Å; C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 3.49Å
11	I	69.1	Low	58.7	Low	105 Å²	105	107.9 Å²	107.9	54%	0.538	58%	0.579	S	S	.	*	H	α-helix	trans	-68.1	-47.1	178	-66.5	168.7	0	0	0	110.3	I7 V8 S13 S14 L15	I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.38Å; I7-I11 VanDerWaalsContact O-CG1 3.32Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.21Å; V8-I11 PolarHBondContact O-N 2.9Å; I11-S13 PolarHBondContact O-N 3.36Å; I11-S14 PolarHBondContact O-N 3.32Å; I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 PolarHBondContact O-N 3.41Å
12	S	62.7	Low	58	Low	58 Å²	58	102 Å²	102	41%	0.406	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-37.8	-179.4	65.2	0	0	0	0	112.4	V8 L9 L15 M16	V8-S12 WeakPolarHBondContact O-CB 3.45Å; V8-S12 PolarHBondContact O-N 3.17Å; V8-S12 PolarHBondContact O-OG 3.01Å; L9-S12 PolarHBondContact O-OG 3.5Å; L9-S12 VanDerWaalsContact O-OG 3.14Å; S12-L15 PolarHBondContact O-N 3.11Å; S12-M16 WeakPolarHBondContact O-CG 3.28Å; S12-M16 PolarHBondContact O-N 3.38Å
13	S	60.6	Low	56.4	Low	71 Å²	71	102.1 Å²	102.1	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-42	173.9	-172.4	0	0	0	0	111.8	L9 I11 M16 M17	L9-S13 VanDerWaalsContact O-CB 3.29Å; L9-S13 WeakPolarHBondContact O-CB 3.47Å; L9-S13 PolarHBondContact O-N 3.5Å; I11-S13 PolarHBondContact O-N 3.36Å; S13-M16 PolarHBondContact O-N 3.1Å; S13-M17 WeakPolarHBondContact O-CG 3.29Å; S13-M17 PolarHBondContact O-N 3.48Å; S13-M17 VanDerWaalsContact O-N 3.14Å
14	S	54.2	Low	54.7	Low	57 Å²	57	105.5 Å²	105.5	40%	0.399	56%	0.56	S	S	.	*	H	α-helix	trans	-66.8	-38.9	176.3	-57.1	0	0	0	0	112	C10 I11 M17 I18	C10-S14 WeakPolarHBondContact O-CB 3.35Å; C10-S14 PolarHBondContact O-N 2.91Å; C10-S14 PolarHBondContact O-OG 3.49Å; I11-S14 PolarHBondContact O-N 3.32Å; S14-M17 WeakPolarHBondContact O-CB 3.46Å; S14-M17 PolarHBondContact O-N 3.23Å; S14-I18 WeakPolarHBondContact O-CG1 3.15Å; S14-I18 PolarHBondContact O-N 3.37Å; S14-I18 VanDerWaalsContact O-N 3.11Å
15	L	53.6	Low	53	Low	98 Å²	98	106.1 Å²	106.1	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-66.1	-42.2	177.8	-153.5	93.9	0	0	0	111.5	I11 S12 M17 I18 I19	I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 PolarHBondContact O-N 3.41Å; S12-L15 PolarHBondContact O-N 3.11Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 3.17Å; L15-I18 VanDerWaalsContact O-N 3.11Å; L15-I19 HydrophobicContact CD2-CD1 4.07Å; L15-I19 HydrophobicContact CG-CD1 4.34Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.39Å
16	M	43.7	Very low	51.1	Low	115 Å²	115	110.7 Å²	110.7	57%	0.567	58%	0.575	S	S	*	*	H	α-helix	trans	-62.2	-37.5	174.8	-79	-70.7	173.4	0	0	112	S12 S13 I18 I19 Q20	S12-M16 WeakPolarHBondContact O-CG 3.28Å; S12-M16 PolarHBondContact O-N 3.38Å; S13-M16 PolarHBondContact O-N 3.1Å; M16-I18 VanDerWaalsContact C-N 3.32Å; M16-I18 PolarHBondContact O-N 2.88Å; M16-I19 PolarHBondContact O-N 3.47Å; M16-Q20 WeakPolarHBondContact O-CG 3.34Å; M16-Q20 PolarHBondContact O-N 2.93Å
17	M	49.3	Very low	49.5	Very low	101 Å²	101	107.8 Å²	107.8	50%	0.498	57%	0.572	S	S	.	*	H	α-helix	trans	-63.4	-36.9	172.6	-71	-163.8	-66.3	0	0	112.4	S13 S14 L15 S21	S13-M17 WeakPolarHBondContact O-CG 3.29Å; S13-M17 PolarHBondContact O-N 3.48Å; S13-M17 VanDerWaalsContact O-N 3.14Å; S14-M17 WeakPolarHBondContact O-CB 3.46Å; S14-M17 PolarHBondContact O-N 3.23Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.37Å; M17-S21 WeakPolarHBondContact O-CB 3.25Å; M17-S21 PolarHBondContact O-N 2.84Å; M17-S21 PolarHBondContact O-OG 2.95Å
18	I	52.2	Low	47.2	Very low	107 Å²	107	108.6 Å²	108.6	55%	0.549	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-44.6	176.3	-65.8	162.5	0	0	0	110.9	S14 L15 M16 Q20 S21	S14-I18 WeakPolarHBondContact O-CG1 3.15Å; S14-I18 PolarHBondContact O-N 3.37Å; S14-I18 VanDerWaalsContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.17Å; L15-I18 VanDerWaalsContact O-N 3.11Å; M16-I18 VanDerWaalsContact C-N 3.32Å; M16-I18 PolarHBondContact O-N 2.88Å; I18-Q20 PolarHBondContact O-N 3.35Å; I18-S21 WeakPolarHBondContact CA-OG 3.28Å; I18-S21 PolarHBondContact O-N 3.23Å; I18-S21 PolarHBondContact O-OG 3.44Å
19	I	46.5	Very low	45.2	Very low	100 Å²	100	111.2 Å²	111.2	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-67.6	-39.4	-177.2	-64.3	166.4	0	0	0	111.4	L15 M16 S21	L15-I19 HydrophobicContact CD2-CD1 4.07Å; L15-I19 HydrophobicContact CG-CD1 4.34Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.39Å; M16-I19 PolarHBondContact O-N 3.47Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.36Å
20	Q	40.5	Very low	43.4	Very low	166 Å²	166	112.3 Å²	112.3	78%	0.776	61%	0.61	S	S	*	*	H	α-helix	trans	-75.1	-15.7	176.7	-68.5	-175.6	-10.6	0	0	113.6	M16 I18	M16-Q20 WeakPolarHBondContact O-CG 3.34Å; M16-Q20 PolarHBondContact O-N 2.93Å; I18-Q20 PolarHBondContact O-N 3.35Å
21	S	41.6	Very low	41.8	Very low	60 Å²	60	117.6 Å²	117.6	42%	0.42	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92	2.2	179.2	60	0	0	0	0	114.1	M17 I18 I19 P23	M17-S21 WeakPolarHBondContact O-CB 3.25Å; M17-S21 PolarHBondContact O-N 2.84Å; M17-S21 PolarHBondContact O-OG 2.95Å; I18-S21 WeakPolarHBondContact CA-OG 3.28Å; I18-S21 PolarHBondContact O-N 3.23Å; I18-S21 PolarHBondContact O-OG 3.44Å; I19-S21 VanDerWaalsContact C-N 3.28Å; I19-S21 PolarHBondContact O-N 3.36Å; S21-P23 WeakPolarHBondContact O-CD 3.49Å
22	V	38	Very low	39.7	Very low	93 Å²	93	121.6 Å²	121.6	56%	0.564	64%	0.639	S	S	*	*	S	Bend	trans	-81.4	103.9	167.4	-175.7	0	0	0	0	108	Y24	V22-Y24 PolarHBondContact O-N 3.02Å
23	P	37.1	Very low	37.9	Very low	101 Å²	101	129.5 Å²	129.5	66%	0.656	66%	0.661	S	S	*	*			trans	-66.8	111.6	178.9	28	-33.5	0	0	0	109	S21 H25	S21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-H25 PolarHBondContact O-N 3.46Å
24	Y	30	Very low	36.4	Very low	236 Å²	236	131.6 Å²	131.6	93%	0.925	67%	0.665	S	S	*	*			trans	-63.7	82.2	161	-84.5	-91	0	0	0	108.4	V22	V22-Y24 PolarHBondContact O-N 3.02Å
25	H	33.8	Very low	35.3	Very low	146 Å²	146	135.9 Å²	135.9	68%	0.676	68%	0.683	S	S	*	*			trans	-109.2	92.4	170.3	-150.4	-80.7	0	0	0	109.3	P23 S27	P23-H25 PolarHBondContact O-N 3.46Å; H25-S27 WeakPolarHBondContact ND1-CB 3.36Å; H25-S27 PolarHBondContact O-N 3.31Å
26	K	24.8	Very low	34.6	Very low	212 Å²	212	133.4 Å²	133.4	92%	0.922	67%	0.674	S	S	*	*			trans	-61.6	86.5	154.9	-86.3	179.9	172.9	177.6	0	107.4
27	S	31	Very low	34.2	Very low	79 Å²	79	134.2 Å²	134.2	55%	0.552	68%	0.68	S	S	*	*			trans	-101.7	97.2	161.8	43.3	0	0	0	0	108.5	H25 L29	H25-S27 WeakPolarHBondContact ND1-CB 3.36Å; H25-S27 PolarHBondContact O-N 3.31Å; S27-L29 PolarHBondContact O-N 2.9Å
28	S	24.4	Very low	33.4	Very low	118 Å²	118	137.5 Å²	137.5	83%	0.825	70%	0.695	S	S	*	*			trans	-66.6	99.5	157	49.6	0	0	0	0	108.6
29	L	29.4	Very low	32.6	Very low	141 Å²	141	137.9 Å²	137.9	74%	0.738	70%	0.698	S	S	*	*			trans	-138	119.6	163.4	-103.5	142	0	0	0	107.8	S27 F31	S27-L29 PolarHBondContact O-N 2.9Å; L29-F31 PolarHBondContact O-N 2.96Å
30	P	26.7	Very low	31.9	Very low	131 Å²	131	139.1 Å²	139.1	85%	0.851	70%	0.7	S	S	*	*			trans	-76.9	93	179.1	30.6	-30.4	0	0	0	108.3	K32	P30-K32 PolarHBondContact O-N 3.45Å
31	F	28.6	Very low	31.4	Very low	175 Å²	175	137.9 Å²	137.9	77%	0.768	69%	0.691	S	S	*	*			trans	-79.6	116.6	176.5	-145.7	-100.1	0	0	0	109.5	L29 R33 I34	L29-F31 PolarHBondContact O-N 2.96Å; F31-R33 PolarHBondContact O-N 3.31Å; F31-I34 HydrophobicContact CE1-CD1 3.96Å
32	K	25	Very low	31.2	Very low	188 Å²	188	143.4 Å²	143.4	82%	0.817	71%	0.708	S	S	*	*			trans	-41.6	130.5	176.3	-132.1	170.2	179.9	178.3	0	111.1	P30 I34	P30-K32 PolarHBondContact O-N 3.45Å; K32-I34 PolarHBondContact O-N 2.84Å
33	R	24.9	Very low	30.9	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.849	71%	0.71	S	S	*	*			trans	-51.2	106.5	175	-153	-176	-147.9	172.2	2.7	109	F31	F31-R33 PolarHBondContact O-N 3.31Å
34	I	28.6	Very low	30.5	Very low	114 Å²	114	144.5 Å²	144.5	59%	0.585	71%	0.705	S	S	*	*			trans	-87.8	111	168	-63.1	174.7	0	0	0	105.2	F31 K32 S36	F31-I34 HydrophobicContact CE1-CD1 3.96Å; K32-I34 PolarHBondContact O-N 2.84Å; I34-S36 PolarHBondContact O-N 3.44Å
35	D	32.5	Very low	30.5	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	69%	0.694	S	S	*	*	S	Bend	trans	-69.9	39.2	-178.1	-69.3	-40.2	0	0	0	113.7
36	S	37.9	Very low	30.5	Very low	47 Å²	47	136.8 Å²	136.8	33%	0.329	69%	0.687	S	S	.	*			trans	-128.5	29.9	174.4	78.7	0	0	0	0	112.8	I34 E38 N39 F40	I34-S36 PolarHBondContact O-N 3.44Å; S36-E38 PolarHBondContact O-N 3.38Å; S36-E38 VanDerWaalsContact O-N 3.1Å; S36-N39 PolarHBondContact O-N 2.96Å; S36-N39 VanDerWaalsContact O-N 3.11Å; S36-F40 PolarHBondContact O-N 3.16Å
37	L	34.7	Very low	31.1	Very low	132 Å²	132	136.1 Å²	136.1	69%	0.691	69%	0.687	S	S	*	*	H	α-helix	trans	-52.6	-29.2	176.4	-171.2	71.6	0	0	0	112.1	N39 F40 K41	L37-N39 PolarHBondContact O-N 3.4Å; L37-F40 PolarHBondContact O-N 3.37Å; L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 3.03Å
38	E	33.8	Very low	31.5	Very low	170 Å²	170	137.5 Å²	137.5	79%	0.794	69%	0.688	S	S	*	*	H	α-helix	trans	-67.8	-35.1	-179.2	-138.4	170.5	-166	0	0	113.1	S36	S36-E38 PolarHBondContact O-N 3.38Å; S36-E38 VanDerWaalsContact O-N 3.1Å
39	N	33.9	Very low	32.4	Very low	115 Å²	115	137.1 Å²	137.1	62%	0.615	68%	0.677	S	S	*	*	H	α-helix	trans	-76.8	-31.7	174.9	-73.5	-22.2	0	0	0	112.1	S36 L37 F43	S36-N39 PolarHBondContact O-N 2.96Å; S36-N39 VanDerWaalsContact O-N 3.11Å; L37-N39 PolarHBondContact O-N 3.4Å; N39-F43 PolarHBondContact O-N 3.32Å
40	F	32.1	Very low	33.5	Very low	126 Å²	126	134.5 Å²	134.5	55%	0.553	67%	0.668	S	S	*	*	H	α-helix	trans	-73.1	-34.7	175.8	-110.7	-84.5	0	0	0	112.6	S36 L37 K42 F43 S44	S36-F40 PolarHBondContact O-N 3.16Å; L37-F40 PolarHBondContact O-N 3.37Å; F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 2.87Å; F40-F43 CarbonylContact O-C 3.53Å; F40-F43 WeakPolarHBondContact O-CA 3.49Å; F40-F43 PolarHBondContact O-N 3.02Å; F40-S44 WeakPolarHBondContact O-CB 3.44Å; F40-S44 PolarHBondContact O-N 3.26Å; F40-S44 PolarHBondContact O-OG 2.83Å
41	K	31.2	Very low	34.3	Very low	139 Å²	139	131.6 Å²	131.6	60%	0.604	64%	0.644	S	S	*	*	H	α-helix	trans	-64.3	-33.1	177.7	-133.8	179.3	-175.4	-176.4	0	112.4	L37 F43 S44 I45	L37-K41 WeakPolarHBondContact O-CB 3.36Å; L37-K41 PolarHBondContact O-N 3.03Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-S44 PolarHBondContact O-OG 3.49Å; K41-I45 WeakPolarHBondContact O-CG1 3.44Å
42	K	36	Very low	35.2	Very low	177 Å²	177	127.9 Å²	127.9	77%	0.77	63%	0.629	S	S	*	*	H	α-helix	trans	-68.2	-31.7	171.2	-86	-177.1	176.2	176.5	0	112.8	F40	F40-K42 VanDerWaalsContact C-N 3.28Å; F40-K42 PolarHBondContact O-N 2.87Å
43	F	32.2	Very low	36.3	Very low	137 Å²	137	120.7 Å²	120.7	60%	0.601	60%	0.601	S	S	*	*	H	α-helix	trans	-83.3	-22.2	177	-99.9	-82.5	0	0	0	114.2	N39 F40 K41	N39-F43 PolarHBondContact O-N 3.32Å; F40-F43 CarbonylContact O-C 3.53Å; F40-F43 WeakPolarHBondContact O-CA 3.49Å; F40-F43 PolarHBondContact O-N 3.02Å; K41-F43 VanDerWaalsContact C-N 3.33Å
44	S	28.9	Very low	37.6	Very low	80 Å²	80	112 Å²	112	56%	0.559	57%	0.571	S	S	*	*	H	α-helix	trans	-91.3	-6.9	-173.2	66.8	0	0	0	0	115.4	F40 K41	F40-S44 WeakPolarHBondContact O-CB 3.44Å; F40-S44 PolarHBondContact O-N 3.26Å; F40-S44 PolarHBondContact O-OG 2.83Å; K41-S44 PolarHBondContact O-OG 3.49Å
45	I	30.2	Very low	38.5	Very low	135 Å²	135	112 Å²	112	69%	0.692	57%	0.57	S	S	*	*	S	Bend	trans	-89.4	-15	-176.4	-67	171.4	0	0	0	112.6	K41 Q47	K41-I45 WeakPolarHBondContact O-CG1 3.44Å; I45-Q47 PolarHBondContact O-N 3.26Å
46	T	35	Very low	39.5	Very low	85 Å²	85	111 Å²	111	52%	0.521	56%	0.559	S	S	.	*			trans	-89.9	103.3	169.4	27.6	0	0	0	0	109.2	D48	T46-D48 PolarHBondContact O-N 3.46Å
47	Q	36.5	Very low	40.2	Very low	197 Å²	197	113 Å²	113	92%	0.921	57%	0.565	S	S	*	*			trans	-69.5	30	176.6	-153.8	179.5	15	0	0	112.6	I45	I45-Q47 PolarHBondContact O-N 3.26Å
48	D	38.3	Very low	41	Very low	109 Å²	109	108.9 Å²	108.9	58%	0.583	54%	0.544	S	S	*	.	S	Bend	trans	-106	123	174.4	-69.4	-39.2	0	0	0	107.8	T46	T46-D48 PolarHBondContact O-N 3.46Å
49	N	44.8	Very low	41.8	Very low	109 Å²	109	106.1 Å²	106.1	58%	0.583	53%	0.531	S	S	*	.			trans	-23.9	106.6	-177.6	-153.3	-1.9	0	0	0	112	M51 E52 T53	N49-M51 PolarHBondContact O-N 3.4Å; N49-E52 HydrophobicContact CB-CB 4.13Å; N49-E52 WeakPolarHBondContact O-CA 3.15Å; N49-E52 WeakPolarHBondContact O-CB 3.2Å; N49-E52 PolarHBondContact O-N 2.76Å; N49-T53 PolarHBondContact O-N 2.76Å
50	P	51.7	Low	42.6	Very low	87 Å²	87	104.1 Å²	104.1	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-57.7	-26.7	-166.4	18.6	-31.7	0	0	0	112.7	I54	P50-I54 WeakPolarHBondContact O-CB 3.02Å; P50-I54 WeakPolarHBondContact O-CD1 3.22Å; P50-I54 WeakPolarHBondContact O-CG1 3.4Å; P50-I54 PolarHBondContact O-N 2.91Å
51	M	43.8	Very low	43.6	Very low	70 Å²	70	101.9 Å²	101.9	35%	0.345	52%	0.517	S	S	.	.	H	α-helix	trans	-74.3	-31.9	175.7	-169.9	43.1	98.4	0	0	113.4	N49 I54 M55 L86	N49-M51 PolarHBondContact O-N 3.4Å; M51-I54 PolarHBondContact O-N 2.98Å; M51-I54 HydrophobicContact SD-CB 4.16Å; M51-I54 HydrophobicContact SD-CG2 4.13Å; M51-M55 WeakPolarHBondContact O-CB 3.39Å; M51-M55 WeakPolarHBondContact O-CG 2.96Å; M51-M55 PolarHBondContact O-N 2.94Å; M51-M55 HydrophobicContact SD-CG 4.1Å; M51-L86 HydrophobicContact CE-CD1 4.23Å
52	E	46.5	Very low	44.1	Very low	96 Å²	96	100.9 Å²	100.9	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-41.5	172.4	-167.1	178.9	158.6	0	0	110.7	N49 M55 K56	N49-E52 HydrophobicContact CB-CB 4.13Å; N49-E52 WeakPolarHBondContact O-CA 3.15Å; N49-E52 WeakPolarHBondContact O-CB 3.2Å; N49-E52 PolarHBondContact O-N 2.76Å; E52-M55 PolarHBondContact O-N 2.87Å; E52-K56 HydrophobicContact CG-CD 4.3Å; E52-K56 VanDerWaalsContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.5Å; E52-K56 WeakPolarHBondContact O-CG 3.33Å; E52-K56 PolarHBondContact O-N 2.93Å; E52-K56 VanDerWaalsContact OE1-CE 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.11Å; E52-K56 IonicContact OE1-NZ 2.72Å; E52-K56 PolarHBondContact OE1-NZ 3.47Å
53	T	49.2	Very low	44.7	Very low	37 Å²	37	99 Å²	99	23%	0.227	51%	0.512	C	S	.	.	H	α-helix	trans	-65	-42	174.6	-51.8	0	0	0	0	111.7	N49 N57	N49-T53 PolarHBondContact O-N 2.76Å; T53-N57 WeakPolarHBondContact O-CB 3.39Å; T53-N57 VanDerWaalsContact O-CG 3.26Å; T53-N57 PolarHBondContact O-N 3.34Å; T53-N57 PolarHBondContact O-ND2 3Å
54	I	51	Low	45.6	Very low	42 Å²	42	100 Å²	100	22%	0.215	52%	0.516	C	S	.	.	H	α-helix	trans	-62.2	-46.9	174.5	-71.5	163.6	0	0	0	110.6	P50 M51 N57 I58 Y89	P50-I54 WeakPolarHBondContact O-CB 3.02Å; P50-I54 WeakPolarHBondContact O-CD1 3.22Å; P50-I54 WeakPolarHBondContact O-CG1 3.4Å; P50-I54 PolarHBondContact O-N 2.91Å; M51-I54 PolarHBondContact O-N 2.98Å; M51-I54 HydrophobicContact SD-CB 4.16Å; M51-I54 HydrophobicContact SD-CG2 4.13Å; I54-N57 PolarHBondContact O-N 3.29Å; I54-I58 HydrophobicContact CG2-CD1 3.44Å; I54-I58 VanDerWaalsContact CG2-CD1 3.44Å; I54-I58 HydrophobicContact CG2-CG1 4.28Å; I54-I58 WeakPolarHBondContact O-CB 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.36Å; I54-I58 PolarHBondContact O-N 3.36Å; I54-Y89 HydrophobicContact CD1-CE2 4.23Å
55	M	47.9	Very low	46.1	Very low	115 Å²	115	100.4 Å²	100.4	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-65.9	-43.1	178.8	-73.9	-164.2	81.7	0	0	112.5	M51 E52 N57 I58 Q59	M51-M55 WeakPolarHBondContact O-CB 3.39Å; M51-M55 WeakPolarHBondContact O-CG 2.96Å; M51-M55 PolarHBondContact O-N 2.94Å; M51-M55 HydrophobicContact SD-CG 4.1Å; E52-M55 PolarHBondContact O-N 2.87Å; M55-N57 VanDerWaalsContact C-N 3.27Å; M55-N57 PolarHBondContact O-N 3.38Å; M55-I58 PolarHBondContact O-N 3.26Å; M55-Q59 WeakPolarHBondContact O-CB 3.41Å; M55-Q59 PolarHBondContact O-N 2.83Å
56	K	54	Low	46.5	Very low	127 Å²	127	100.7 Å²	100.7	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-60.4	-35.2	175.6	-80.7	178	178.4	164.9	0	112.3	E52 P60	E52-K56 HydrophobicContact CG-CD 4.3Å; E52-K56 VanDerWaalsContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.5Å; E52-K56 WeakPolarHBondContact O-CG 3.33Å; E52-K56 PolarHBondContact O-N 2.93Å; E52-K56 VanDerWaalsContact OE1-CE 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.11Å; E52-K56 IonicContact OE1-NZ 2.72Å; E52-K56 PolarHBondContact OE1-NZ 3.47Å; K56-P60 WeakPolarHBondContact O-CD 3.47Å; K56-P60 WeakPolarHBondContact O-CG 3.38Å
57	N	52	Low	47.1	Very low	87 Å²	87	104.4 Å²	104.4	47%	0.465	52%	0.519	S	S	.	.	H	α-helix	trans	-80.7	-34	177.3	-71.4	-16.1	0	0	0	112.9	T53 I54 M55 I61	T53-N57 WeakPolarHBondContact O-CB 3.39Å; T53-N57 VanDerWaalsContact O-CG 3.26Å; T53-N57 PolarHBondContact O-N 3.34Å; T53-N57 PolarHBondContact O-ND2 3Å; I54-N57 PolarHBondContact O-N 3.29Å; M55-N57 VanDerWaalsContact C-N 3.27Å; M55-N57 PolarHBondContact O-N 3.38Å; N57-I61 VanDerWaalsContact O-CD1 3.25Å; N57-I61 WeakPolarHBondContact O-CD1 3.45Å; N57-I61 VanDerWaalsContact O-CG1 3.28Å; N57-I61 WeakPolarHBondContact O-CG1 3.35Å
58	I	52	Low	47.4	Very low	46 Å²	46	101.2 Å²	101.2	24%	0.236	50%	0.504	C	S	.	.	H	α-helix	trans	-77.6	-38.5	-178.1	-69	173.5	0	0	0	112.3	I54 M55 I61 M62 I82	I54-I58 HydrophobicContact CG2-CD1 3.44Å; I54-I58 VanDerWaalsContact CG2-CD1 3.44Å; I54-I58 HydrophobicContact CG2-CG1 4.28Å; I54-I58 WeakPolarHBondContact O-CB 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.36Å; I54-I58 PolarHBondContact O-N 3.36Å; M55-I58 PolarHBondContact O-N 3.26Å; I58-I61 WeakPolarHBondContact O-CB 3.31Å; I58-I61 PolarHBondContact O-N 3.37Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I58-M62 HydrophobicContact CG2-CG 4.18Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; I58-M62 PolarHBondContact O-N 2.68Å; I58-I82 HydrophobicContact CD1-CD1 4.24Å; I58-I82 HydrophobicContact CD1-CG1 4.23Å; I58-I82 HydrophobicContact CG2-CD1 4.15Å
59	Q	51.5	Low	47.8	Very low	112 Å²	112	101.9 Å²	101.9	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-52.6	-51.1	-179.5	-104.3	-176.5	-54	0	0	114.3	M55 I61 M62 M63	M55-Q59 WeakPolarHBondContact O-CB 3.41Å; M55-Q59 PolarHBondContact O-N 2.83Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 PolarHBondContact O-N 3.25Å; Q59-M62 PolarHBondContact O-N 3.21Å; Q59-M63 PolarHBondContact O-N 2.79Å
60	P	50.4	Low	48	Very low	73 Å²	73	99.9 Å²	99.9	47%	0.474	52%	0.523	S	S	.	.	H	α-helix	trans	-69.1	-31.1	179.3	24.6	-31.9	0	0	0	112.2	K56 M63 K64	K56-P60 WeakPolarHBondContact O-CD 3.47Å; K56-P60 WeakPolarHBondContact O-CG 3.38Å; P60-M63 PolarHBondContact O-N 2.92Å; P60-K64 VanDerWaalsContact O-CB 3.29Å; P60-K64 WeakPolarHBondContact O-CB 3.45Å; P60-K64 PolarHBondContact O-N 2.92Å
61	I	52.8	Low	47.5	Very low	79 Å²	79	101.1 Å²	101.1	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-47.6	173.6	-63.2	171	0	0	0	109.3	N57 I58 Q59 M63 K64 W65	N57-I61 VanDerWaalsContact O-CD1 3.25Å; N57-I61 WeakPolarHBondContact O-CD1 3.45Å; N57-I61 VanDerWaalsContact O-CG1 3.28Å; N57-I61 WeakPolarHBondContact O-CG1 3.35Å; I58-I61 WeakPolarHBondContact O-CB 3.31Å; I58-I61 PolarHBondContact O-N 3.37Å; I58-I61 VanDerWaalsContact O-N 3.16Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 PolarHBondContact O-N 3.25Å; I61-M63 PolarHBondContact O-N 2.72Å; I61-K64 PolarHBondContact O-N 2.86Å; I61-W65 HydrophobicContact CG2-CD2 4.48Å; I61-W65 HydrophobicContact CG2-CG 4.45Å; I61-W65 HydrophobicContact CG2-CZ2 4.47Å; I61-W65 WeakPolarHBondContact O-CB 3.48Å; I61-W65 PolarHBondContact O-N 2.85Å; I61-W65 VanDerWaalsContact O-N 3.17Å
62	M	42.4	Very low	47.5	Very low	119 Å²	119	105.3 Å²	105.3	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-61.2	-43.6	176.4	-80.8	-172.7	153.2	0	0	112.9	I58 Q59 W65 N66	I58-M62 HydrophobicContact CG2-CG 4.18Å; I58-M62 HydrophobicContact CG2-SD 4.21Å; I58-M62 PolarHBondContact O-N 2.68Å; Q59-M62 PolarHBondContact O-N 3.21Å; M62-W65 PolarHBondContact O-N 2.77Å; M62-N66 PolarHBondContact O-N 3.38Å
63	M	48.4	Very low	47.5	Very low	137 Å²	137	107 Å²	107	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-42.1	-180	-75.6	-171.9	169.5	0	0	112.7	Q59 P60 I61 W65	Q59-M63 PolarHBondContact O-N 2.79Å; P60-M63 PolarHBondContact O-N 2.92Å; I61-M63 PolarHBondContact O-N 2.72Å; M63-W65 VanDerWaalsContact C-N 3.25Å; M63-W65 PolarHBondContact O-N 3.27Å
64	K	49.5	Very low	47.4	Very low	158 Å²	158	109.3 Å²	109.3	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-70.6	-23.3	-179.5	-154.7	172.9	-170.2	177.1	0	112.5	P60 I61	P60-K64 VanDerWaalsContact O-CB 3.29Å; P60-K64 WeakPolarHBondContact O-CB 3.45Å; P60-K64 PolarHBondContact O-N 2.92Å; I61-K64 PolarHBondContact O-N 2.86Å
65	W	40.1	Very low	47.3	Very low	89 Å²	89	110.8 Å²	110.8	34%	0.337	56%	0.564	S	S	.	*	H	α-helix	trans	-88.3	-27.8	-176.7	-74.6	46.2	0	0	0	113.2	I61 M62 M63 Q67 Q68 H74 V78	I61-W65 HydrophobicContact CG2-CD2 4.48Å; I61-W65 HydrophobicContact CG2-CG 4.45Å; I61-W65 HydrophobicContact CG2-CZ2 4.47Å; I61-W65 WeakPolarHBondContact O-CB 3.48Å; I61-W65 PolarHBondContact O-N 2.85Å; I61-W65 VanDerWaalsContact O-N 3.17Å; M62-W65 PolarHBondContact O-N 2.77Å; M63-W65 VanDerWaalsContact C-N 3.25Å; M63-W65 PolarHBondContact O-N 3.27Å; W65-Q67 PolarHBondContact O-N 3.17Å; W65-Q67 VanDerWaalsContact O-N 3.09Å; W65-Q68 PolarHBondContact O-N 3.29Å; W65-H74 HydrophobicContact CH2-CB 3.65Å; W65-H74 HydrophobicContact CZ3-CB 3.39Å; W65-V78 HydrophobicContact CH2-CG2 3.89Å; W65-V78 HydrophobicContact CZ3-CG2 4.16Å
66	N	38.9	Very low	47.3	Very low	140 Å²	140	112.9 Å²	112.9	75%	0.749	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-12.5	169.1	-81.1	-10.2	0	0	0	113.2	M62	M62-N66 PolarHBondContact O-N 3.38Å
67	Q	48.4	Very low	47.2	Very low	163 Å²	163	111.9 Å²	111.9	76%	0.762	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-11.9	177	-79.5	-179.8	-18.1	0	0	115	W65	W65-Q67 PolarHBondContact O-N 3.17Å; W65-Q67 VanDerWaalsContact O-N 3.09Å
68	Q	42	Very low	47.4	Very low	130 Å²	130	109.9 Å²	109.9	61%	0.607	56%	0.557	S	S	*	*			trans	-106.9	101.5	-178.5	-79.9	-173.4	-22.1	0	0	112.2	W65 G70	W65-Q68 PolarHBondContact O-N 3.29Å; Q68-G70 PolarHBondContact O-N 3.27Å
69	S	47.1	Very low	47.3	Very low	123 Å²	123	114.1 Å²	114.1	86%	0.86	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	17.2	-175.9	57.5	0	0	0	0	116.3
70	G	48	Very low	47.4	Very low	67 Å²	67	115.2 Å²	115.2	69%	0.691	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.7	6.8	-171	0	0	0	0	0	117.1	Q68	Q68-G70 PolarHBondContact O-N 3.27Å
71	K	41.1	Very low	47.7	Very low	113 Å²	113	114.8 Å²	114.8	49%	0.491	58%	0.576	S	S	.	*			trans	-132.7	55.2	-172.8	-87.2	173.5	162.6	-172.6	0	113	D73	K71-D73 VanDerWaalsContact C-N 3.27Å; K71-D73 PolarHBondContact O-N 3.28Å
72	F	44.3	Very low	48.1	Very low	159 Å²	159	113.2 Å²	113.2	70%	0.697	57%	0.567	S	S	*	*	H	α-helix	trans	-63.9	-28.8	174.5	-77.9	-82.6	0	0	0	113.2	L75 Y76	F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.21Å; F72-Y76 PolarHBondContact O-N 3.28Å; F72-Y76 VanDerWaalsContact O-N 3.15Å
73	D	47.1	Very low	48.4	Very low	132 Å²	132	111.2 Å²	111.2	71%	0.706	56%	0.559	S	S	*	*	H	α-helix	trans	-65.9	-41.4	-179.2	-69.2	-23.7	0	0	0	113	K71 L75 Y76 I77	K71-D73 VanDerWaalsContact C-N 3.27Å; K71-D73 PolarHBondContact O-N 3.28Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.05Å; D73-Y76 PolarHBondContact O-N 3.08Å; D73-I77 WeakPolarHBondContact O-CG1 3.33Å; D73-I77 PolarHBondContact O-N 3.3Å
74	H	46.8	Very low	48.6	Very low	84 Å²	84	112.2 Å²	112.2	39%	0.389	56%	0.556	S	S	.	*	H	α-helix	trans	-69.3	-31.2	176.9	-60.7	-50.6	0	0	0	111.6	W65 Y76 I77 V78	W65-H74 HydrophobicContact CH2-CB 3.65Å; W65-H74 HydrophobicContact CZ3-CB 3.39Å; H74-Y76 VanDerWaalsContact C-N 3.32Å; H74-Y76 PolarHBondContact O-N 3.42Å; H74-I77 PolarHBondContact O-N 3.45Å; H74-V78 WeakPolarHBondContact O-CG2 3.46Å; H74-V78 PolarHBondContact O-N 3.02Å
75	L	48	Very low	48.9	Very low	73 Å²	73	106.6 Å²	106.6	38%	0.382	54%	0.539	S	S	.	.	H	α-helix	trans	-67.4	-35.4	178.3	-155.4	140.7	0	0	0	110.9	F72 D73 K79	F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.21Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.05Å; L75-K79 WeakPolarHBondContact O-CB 2.88Å; L75-K79 PolarHBondContact O-N 3.03Å
76	Y	49.1	Very low	49.6	Very low	160 Å²	160	106.1 Å²	106.1	63%	0.627	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-44.7	171.6	-174	-95.7	0	0	0	112.3	F72 D73 H74 V78 K79 K80	F72-Y76 PolarHBondContact O-N 3.28Å; F72-Y76 VanDerWaalsContact O-N 3.15Å; D73-Y76 PolarHBondContact O-N 3.08Å; H74-Y76 VanDerWaalsContact C-N 3.32Å; H74-Y76 PolarHBondContact O-N 3.42Å; Y76-V78 PolarHBondContact O-N 2.96Å; Y76-K79 PolarHBondContact O-N 3.04Å; Y76-K80 HydrophobicContact CE1-CD 4.33Å; Y76-K80 VanDerWaalsContact O-CB 3.31Å; Y76-K80 WeakPolarHBondContact O-CB 3.41Å; Y76-K80 PolarHBondContact O-N 2.82Å
77	I	52.3	Low	50.1	Low	106 Å²	106	105.4 Å²	105.4	54%	0.544	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-44.4	178.9	-64.1	168.1	0	0	0	110.9	D73 H74 K80 S81	D73-I77 WeakPolarHBondContact O-CG1 3.33Å; D73-I77 PolarHBondContact O-N 3.3Å; H74-I77 PolarHBondContact O-N 3.45Å; I77-K80 PolarHBondContact O-N 2.91Å; I77-S81 PolarHBondContact O-N 3.33Å
78	V	54.4	Low	50.2	Low	45 Å²	45	102.3 Å²	102.3	27%	0.273	53%	0.528	S	S	.	.	H	α-helix	trans	-69.3	-41.1	178.2	175.7	0	0	0	0	111.3	W65 H74 Y76 K80 S81 I82	W65-V78 HydrophobicContact CH2-CG2 3.89Å; W65-V78 HydrophobicContact CZ3-CG2 4.16Å; H74-V78 WeakPolarHBondContact O-CG2 3.46Å; H74-V78 PolarHBondContact O-N 3.02Å; Y76-V78 PolarHBondContact O-N 2.96Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 3.46Å; V78-S81 WeakPolarHBondContact CA-OG 3.45Å; V78-S81 PolarHBondContact O-N 3.17Å; V78-S81 PolarHBondContact O-OG 2.93Å; V78-I82 HydrophobicContact CG1-CD1 3.75Å; V78-I82 HydrophobicContact CG1-CG1 4.23Å; V78-I82 WeakPolarHBondContact O-CB 3.43Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.44Å; V78-I82 PolarHBondContact O-N 3.02Å
79	K	51.7	Low	50.7	Low	134 Å²	134	101.4 Å²	101.4	58%	0.583	52%	0.52	S	S	*	.	H	α-helix	trans	-61.4	-38.4	174.7	-169	175.5	-176.5	179.3	0	111.4	L75 Y76 N83	L75-K79 WeakPolarHBondContact O-CB 2.88Å; L75-K79 PolarHBondContact O-N 3.03Å; Y76-K79 PolarHBondContact O-N 3.04Å; K79-N83 WeakPolarHBondContact O-CB 3.48Å; K79-N83 PolarHBondContact O-N 3.09Å
80	K	53.1	Low	50.8	Low	136 Å²	136	101.5 Å²	101.5	59%	0.591	52%	0.515	S	S	*	.	H	α-helix	trans	-67.6	-40.7	175.3	-168.9	174.6	-178.9	178.2	0	111.9	Y76 I77 V78 N83 Y84	Y76-K80 HydrophobicContact CE1-CD 4.33Å; Y76-K80 VanDerWaalsContact O-CB 3.31Å; Y76-K80 WeakPolarHBondContact O-CB 3.41Å; Y76-K80 PolarHBondContact O-N 2.82Å; I77-K80 PolarHBondContact O-N 2.91Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 3.46Å; K80-N83 PolarHBondContact O-N 3.42Å; K80-Y84 WeakPolarHBondContact O-CB 3.45Å; K80-Y84 PolarHBondContact O-N 2.96Å
81	S	57.3	Low	51.1	Low	64 Å²	64	102.8 Å²	102.8	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-70.4	-37.7	177.3	69.8	0	0	0	0	112.5	I77 V78 Y84 A85	I77-S81 PolarHBondContact O-N 3.33Å; V78-S81 WeakPolarHBondContact CA-OG 3.45Å; V78-S81 PolarHBondContact O-N 3.17Å; V78-S81 PolarHBondContact O-OG 2.93Å; S81-Y84 PolarHBondContact O-N 3.29Å; S81-A85 WeakPolarHBondContact O-CB 3.32Å; S81-A85 PolarHBondContact O-N 3.01Å
82	I	59.2	Low	51.9	Low	45 Å²	45	105.4 Å²	105.4	23%	0.231	52%	0.517	C	S	.	.	H	α-helix	trans	-64.1	-47.1	172.3	-67.4	169.5	0	0	0	109.9	I58 V78 Y84 A85 L86	I58-I82 HydrophobicContact CD1-CD1 4.24Å; I58-I82 HydrophobicContact CD1-CG1 4.23Å; I58-I82 HydrophobicContact CG2-CD1 4.15Å; V78-I82 HydrophobicContact CG1-CD1 3.75Å; V78-I82 HydrophobicContact CG1-CG1 4.23Å; V78-I82 WeakPolarHBondContact O-CB 3.43Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.44Å; V78-I82 PolarHBondContact O-N 3.02Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.36Å; I82-A85 PolarHBondContact O-N 3.4Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 PolarHBondContact O-N 2.85Å
83	N	50.7	Low	52.7	Low	77 Å²	77	101.9 Å²	101.9	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.9	-80.6	-16.9	0	0	0	111.9	K79 K80 L86 N87	K79-N83 WeakPolarHBondContact O-CB 3.48Å; K79-N83 PolarHBondContact O-N 3.09Å; K80-N83 PolarHBondContact O-N 3.42Å; N83-L86 PolarHBondContact O-N 2.84Å; N83-N87 WeakPolarHBondContact O-CB 3.35Å; N83-N87 PolarHBondContact O-N 2.77Å; N83-N87 PolarHBondContact O-ND2 3.23Å
84	Y	52.4	Low	54.1	Low	158 Å²	158	99 Å²	99	62%	0.62	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-45.4	176.2	-174.9	-100.2	0	0	0	112	K80 S81 I82 N87 N88	K80-Y84 WeakPolarHBondContact O-CB 3.45Å; K80-Y84 PolarHBondContact O-N 2.96Å; S81-Y84 PolarHBondContact O-N 3.29Å; I82-Y84 VanDerWaalsContact C-N 3.3Å; I82-Y84 PolarHBondContact O-N 3.36Å; Y84-N87 PolarHBondContact O-N 2.83Å; Y84-N88 WeakPolarHBondContact CE1-ND2 3.41Å; Y84-N88 WeakPolarHBondContact O-CB 3.06Å; Y84-N88 PolarHBondContact O-N 3.04Å; Y84-N88 PolarHBondContact OH-ND2 3.01Å
85	A	55.7	Low	55.5	Low	40 Å²	40	99.3 Å²	99.3	33%	0.331	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-49.3	174	0	0	0	0	0	110.2	S81 I82 N87 N88 Y89	S81-A85 WeakPolarHBondContact O-CB 3.32Å; S81-A85 PolarHBondContact O-N 3.01Å; I82-A85 PolarHBondContact O-N 3.4Å; A85-N87 VanDerWaalsContact C-N 3.34Å; A85-N87 PolarHBondContact O-N 2.91Å; A85-N88 PolarHBondContact O-N 2.97Å; A85-Y89 HydrophobicContact CB-CD2 4.32Å; A85-Y89 HydrophobicContact CB-CE2 4.32Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 WeakPolarHBondContact O-CD2 3.29Å; A85-Y89 PolarHBondContact O-N 3.35Å
86	L	53.4	Low	57	Low	79 Å²	79	99.1 Å²	99.1	41%	0.414	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-35.9	-179.3	-158.6	80.8	0	0	0	112.8	M51 I82 N83 I91	M51-L86 HydrophobicContact CE-CD1 4.23Å; I82-L86 WeakPolarHBondContact O-CB 3.27Å; I82-L86 PolarHBondContact O-N 2.85Å; N83-L86 PolarHBondContact O-N 2.84Å; L86-I91 HydrophobicContact CD1-CD1 4.08Å; L86-I91 HydrophobicContact CG-CD1 4.4Å
87	N	49.3	Very low	58.5	Low	125 Å²	125	96.1 Å²	96.1	67%	0.668	48%	0.484	S	S	*	.	H	α-helix	trans	-74.9	-33.2	177.2	-72.6	-15	0	0	0	112.4	N83 Y84 A85	N83-N87 WeakPolarHBondContact O-CB 3.35Å; N83-N87 PolarHBondContact O-N 2.77Å; N83-N87 PolarHBondContact O-ND2 3.23Å; Y84-N87 PolarHBondContact O-N 2.83Å; A85-N87 VanDerWaalsContact C-N 3.34Å; A85-N87 PolarHBondContact O-N 2.91Å
88	N	52	Low	60	Low	99 Å²	99	97.9 Å²	97.9	53%	0.529	49%	0.485	S	S	.	.	H	α-helix	trans	-86.5	-25.9	178	-80.4	-7.2	0	0	0	113.6	Y84 A85 T90	Y84-N88 WeakPolarHBondContact CE1-ND2 3.41Å; Y84-N88 WeakPolarHBondContact O-CB 3.06Å; Y84-N88 PolarHBondContact O-N 3.04Å; Y84-N88 PolarHBondContact OH-ND2 3.01Å; A85-N88 PolarHBondContact O-N 2.97Å; N88-T90 PolarHBondContact O-N 3.4Å
89	Y	52	Low	61.2	Low	111 Å²	111	95.8 Å²	95.8	44%	0.435	47%	0.472	S	S	.	.	S	Bend	trans	-68.4	95.2	159.4	-77.4	-69.5	0	0	0	105.7	I54 A85 I91	I54-Y89 HydrophobicContact CD1-CE2 4.23Å; A85-Y89 HydrophobicContact CB-CD2 4.32Å; A85-Y89 HydrophobicContact CB-CE2 4.32Å; A85-Y89 WeakPolarHBondContact O-CB 3.33Å; A85-Y89 WeakPolarHBondContact O-CD2 3.29Å; A85-Y89 PolarHBondContact O-N 3.35Å; Y89-I91 PolarHBondContact O-N 2.88Å
90	T	49.1	Very low	62.7	Low	124 Å²	124	94.3 Å²	94.3	76%	0.761	47%	0.466	S	S	*	.			trans	-57.7	89	153.5	46.3	0	0	0	0	105.5	N88 K92	N88-T90 PolarHBondContact O-N 3.4Å; T90-K92 PolarHBondContact O-N 3.4Å
91	I	55.4	Low	64.2	Low	94 Å²	94	90.9 Å²	90.9	48%	0.482	46%	0.459	S	S	.	.			trans	-57.1	102.5	171.7	-65.5	168.3	0	0	0	102.6	L86 Y89 P93	L86-I91 HydrophobicContact CD1-CD1 4.08Å; L86-I91 HydrophobicContact CG-CD1 4.4Å; Y89-I91 PolarHBondContact O-N 2.88Å; I91-P93 VanDerWaalsContact O-N 3.08Å
92	K	57.5	Low	65.4	Low	169 Å²	169	89.2 Å²	89.2	74%	0.735	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-50.8	126.2	175	-75.7	-177.5	178.4	179.1	0	104.5	T90 T94	T90-K92 PolarHBondContact O-N 3.4Å; K92-T94 PolarHBondContact O-N 3.44Å
93	P	61.3	Low	66.5	Low	85 Å²	85	87.1 Å²	87.1	55%	0.552	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-52.5	127.1	-177.2	20.3	-31.2	0	0	0	107	I91 Q97	I91-P93 VanDerWaalsContact O-N 3.08Å; P93-Q97 HydrophobicContact CB-CB 4.02Å
94	T	76.7	Confident	68.1	Low	71 Å²	71	87.7 Å²	87.7	44%	0.436	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.5	154.7	177.6	62.1	0	0	0	0	107.9	K92 Y96 Q97 Y98	K92-T94 PolarHBondContact O-N 3.44Å; T94-Y96 PolarHBondContact O-N 3.33Å; T94-Q97 WeakPolarHBondContact O-CA 3.47Å; T94-Q97 WeakPolarHBondContact O-CB 3.48Å; T94-Q97 PolarHBondContact O-N 3.16Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.45Å; T94-Q97 PolarHBondContact OG1-N 3.29Å; T94-Y98 PolarHBondContact O-N 3.46Å
95	F	76.3	Confident	69.5	Low	90 Å²	90	88.9 Å²	88.9	40%	0.395	44%	0.443	S	S	.	.	H	α-helix	trans	-51.9	-36.2	178.3	-175.6	-113.2	0	0	0	111.8	Y98 V99 F127	F95-Y98 WeakPolarHBondContact O-CB 3.34Å; F95-Y98 PolarHBondContact O-N 3.12Å; F95-V99 HydrophobicContact CD1-CG2 4.24Å; F95-V99 HydrophobicContact CE1-CG2 3.91Å; F95-V99 HydrophobicContact CE2-CG2 4.27Å; F95-V99 HydrophobicContact CZ-CG2 3.91Å; F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 3.33Å; F95-F127 HydrophobicContact CD1-CE1 4.2Å; F95-F127 AromaticContact CD1-CE2 3.73Å; F95-F127 HydrophobicContact CD1-CE2 3.73Å; F95-F127 AromaticContact CD1-CZ 3.36Å; F95-F127 HydrophobicContact CD1-CZ 3.36Å; F95-F127 AromaticContact CE1-CE2 3.38Å; F95-F127 HydrophobicContact CE1-CE2 3.38Å; F95-F127 AromaticContact CE1-CZ 3.33Å; F95-F127 HydrophobicContact CE1-CZ 3.33Å
96	Y	78.2	Confident	70.7	Confident	69 Å²	69	88.1 Å²	88.1	27%	0.271	43%	0.432	S	S	.	.	H	α-helix	trans	-58.7	-47.7	171.5	-178.5	-97.4	0	0	0	113.5	T94 Y98 V99 K100 L124 F127 N128 I131	T94-Y96 PolarHBondContact O-N 3.33Å; Y96-Y98 VanDerWaalsContact C-N 3.3Å; Y96-Y98 PolarHBondContact O-N 2.73Å; Y96-V99 PolarHBondContact O-N 2.84Å; Y96-K100 HydrophobicContact CE1-CD 4.32Å; Y96-K100 WeakPolarHBondContact O-CB 3.37Å; Y96-K100 PolarHBondContact O-N 3.06Å; Y96-L124 HydrophobicContact CD2-CD1 4.43Å; Y96-L124 HydrophobicContact CE2-CD1 3.79Å; Y96-F127 HydrophobicContact CD2-CB 3.96Å; Y96-F127 HydrophobicContact CD2-CG 4.3Å; Y96-F127 HydrophobicContact CE2-CB 4.1Å; Y96-N128 VanDerWaalsContact CE2-OD1 3.29Å; Y96-N128 WeakPolarHBondContact CE2-OD1 3.26Å; Y96-N128 PolarHBondContact OH-OD1 2.86Å; Y96-I131 HydrophobicContact CD2-CD1 3.91Å; Y96-I131 HydrophobicContact CE2-CD1 3.7Å
97	Q	80.6	Confident	71.8	Confident	97 Å²	97	86.2 Å²	86.2	45%	0.453	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-36.9	176.9	-72.2	174.5	-11.6	0	0	111.9	P93 T94 S101	P93-Q97 HydrophobicContact CB-CB 4.02Å; T94-Q97 WeakPolarHBondContact O-CA 3.47Å; T94-Q97 WeakPolarHBondContact O-CB 3.48Å; T94-Q97 PolarHBondContact O-N 3.16Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.45Å; T94-Q97 PolarHBondContact OG1-N 3.29Å; Q97-S101 VanDerWaalsContact O-CB 3.32Å; Q97-S101 WeakPolarHBondContact O-CB 3.21Å; Q97-S101 PolarHBondContact O-N 2.89Å
98	Y	84.4	Confident	73.1	Confident	144 Å²	144	87.7 Å²	87.7	57%	0.565	43%	0.428	S	S	*	.	H	α-helix	trans	-62.2	-51.1	173.6	177.1	-96	0	0	0	111.6	T94 F95 Y96 K100 S101 C102	T94-Y98 PolarHBondContact O-N 3.46Å; F95-Y98 WeakPolarHBondContact O-CB 3.34Å; F95-Y98 PolarHBondContact O-N 3.12Å; Y96-Y98 VanDerWaalsContact C-N 3.3Å; Y96-Y98 PolarHBondContact O-N 2.73Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.42Å; Y98-S101 PolarHBondContact O-N 2.8Å; Y98-C102 PolarHBondContact O-N 3.44Å
99	V	79.2	Confident	74.2	Confident	1 Å²	1	89.1 Å²	89.1	1%	0.006	43%	0.427	C	S	.	.	H	α-helix	trans	-61.3	-41.2	178.6	173	0	0	0	0	111.2	F95 Y96 C102 C103 Q123 L124 F127	F95-V99 HydrophobicContact CD1-CG2 4.24Å; F95-V99 HydrophobicContact CE1-CG2 3.91Å; F95-V99 HydrophobicContact CE2-CG2 4.27Å; F95-V99 HydrophobicContact CZ-CG2 3.91Å; F95-V99 WeakPolarHBondContact O-CG2 3.36Å; F95-V99 PolarHBondContact O-N 3.33Å; Y96-V99 PolarHBondContact O-N 2.84Å; V99-C102 PolarHBondContact O-N 3.48Å; V99-C103 PolarHBondContact O-N 3.11Å; V99-Q123 HydrophobicContact CG1-CB 4.05Å; V99-Q123 HydrophobicContact CG1-CG 4.11Å; V99-Q123 HydrophobicContact CG2-CG 4.33Å; V99-L124 HydrophobicContact CG1-CB 3.88Å; V99-L124 HydrophobicContact CG1-CD1 4.32Å; V99-F127 HydrophobicContact CG2-CE2 4.36Å
100	K	83.6	Confident	74.8	Confident	102 Å²	102	90.1 Å²	90.1	44%	0.443	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	-174.8	176.8	179.8	178.5	0	111.9	Y96 Y98 C103 N104 L124	Y96-K100 HydrophobicContact CE1-CD 4.32Å; Y96-K100 WeakPolarHBondContact O-CB 3.37Å; Y96-K100 PolarHBondContact O-N 3.06Å; Y98-K100 VanDerWaalsContact C-N 3.32Å; Y98-K100 PolarHBondContact O-N 3.42Å; K100-C103 PolarHBondContact O-N 2.94Å; K100-N104 PolarHBondContact O-N 2.74Å; K100-L124 HydrophobicContact CB-CD1 4.03Å; K100-L124 HydrophobicContact CG-CD2 4.5Å
101	S	84.3	Confident	75.4	Confident	65 Å²	65	93.4 Å²	93.4	46%	0.455	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.5	-175.5	0	0	0	0	111.8	Q97 Y98 N104 R105	Q97-S101 VanDerWaalsContact O-CB 3.32Å; Q97-S101 WeakPolarHBondContact O-CB 3.21Å; Q97-S101 PolarHBondContact O-N 2.89Å; Y98-S101 PolarHBondContact O-N 2.8Å; S101-N104 PolarHBondContact O-N 3.2Å; S101-R105 PolarHBondContact O-N 3.2Å
102	C	82.2	Confident	75.6	Confident	28 Å²	28	91.7 Å²	91.7	19%	0.189	46%	0.461	C	S	.	.	H	α-helix	trans	-60.1	-51.6	174.8	-176	0	0	0	0	111.3	Y98 V99 N104 R105 E106 C120	Y98-C102 PolarHBondContact O-N 3.44Å; V99-C102 PolarHBondContact O-N 3.48Å; C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.47Å; C102-R105 WeakPolarHBondContact O-CA 3.4Å; C102-R105 WeakPolarHBondContact O-CB 3.36Å; C102-R105 PolarHBondContact O-N 3.06Å; C102-E106 WeakPolarHBondContact O-CG 3.05Å; C102-E106 PolarHBondContact O-N 3.46Å; C102-C120 HydrophobicContact CB-CB 3.59Å; C102-C120 WeakPolarHBondContact CB-SG 3.04Å; C102-C120 WeakPolarHBondContact SG-CB 3.26Å; C102-C120 CovalentContact SG-SG 2.04Å; C102-C120 PolarHBondContact SG-SG 2.85Å
103	C	82.2	Confident	75.5	Confident	1 Å²	1	85.9 Å²	85.9	1%	0.007	45%	0.449	C	S	.	.	H	α-helix	trans	-58.9	-42.9	178.4	175.2	0	0	0	0	112.1	V99 K100 R105 E106 V107 C120 C121 L124	V99-C103 PolarHBondContact O-N 3.11Å; K100-C103 PolarHBondContact O-N 2.94Å; C103-R105 VanDerWaalsContact C-N 3.27Å; C103-R105 PolarHBondContact O-N 3.48Å; C103-E106 WeakPolarHBondContact O-CB 3.18Å; C103-E106 PolarHBondContact O-N 3.48Å; C103-V107 WeakPolarHBondContact O-CG2 3.49Å; C103-V107 PolarHBondContact O-N 3.11Å; C103-C120 HydrophobicContact CB-CB 4.34Å; C103-C121 WeakPolarHBondContact CA-SG 3.41Å; C103-C121 HydrophobicContact CB-CB 4.02Å; C103-C121 WeakPolarHBondContact CB-SG 3.4Å; C103-C121 WeakPolarHBondContact SG-CA 3.36Å; C103-C121 WeakPolarHBondContact SG-CB 3.36Å; C103-C121 CovalentContact SG-SG 2.05Å; C103-C121 PolarHBondContact SG-SG 3.05Å; C103-L124 HydrophobicContact CB-CB 4.43Å; C103-L124 HydrophobicContact CB-CD2 3.94Å
104	N	84.1	Confident	75.5	Confident	90 Å²	90	84.3 Å²	84.3	48%	0.481	45%	0.448	S	S	.	.	H	α-helix	trans	-57.4	-41.9	174.3	-77.8	-3.1	0	0	0	111.9	K100 S101 C102 E106 V107 M108	K100-N104 PolarHBondContact O-N 2.74Å; S101-N104 PolarHBondContact O-N 3.2Å; C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.47Å; N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 2.95Å; N104-V107 PolarHBondContact O-N 3.41Å; N104-M108 WeakPolarHBondContact O-CB 3.1Å; N104-M108 WeakPolarHBondContact O-CG 3.45Å; N104-M108 PolarHBondContact O-N 2.96Å
105	R	81.9	Confident	75.1	Confident	183 Å²	183	87.3 Å²	87.3	69%	0.691	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-36.4	175.5	-170.4	-174.8	-65.8	-172.8	-1.5	112.2	S101 C102 C103 R109	S101-R105 PolarHBondContact O-N 3.2Å; C102-R105 WeakPolarHBondContact O-CA 3.4Å; C102-R105 WeakPolarHBondContact O-CB 3.36Å; C102-R105 PolarHBondContact O-N 3.06Å; C103-R105 VanDerWaalsContact C-N 3.27Å; C103-R105 PolarHBondContact O-N 3.48Å; R105-R109 WeakPolarHBondContact O-CG 3.47Å
106	E	80.3	Confident	75	Confident	23 Å²	23	87.8 Å²	87.8	11%	0.107	46%	0.462	C	S	.	.	H	α-helix	trans	-67.7	-45.9	176.6	-57.7	-157.8	122.1	0	0	112.1	C102 C103 N104 M108 R109 G118 P119 C120	C102-E106 WeakPolarHBondContact O-CG 3.05Å; C102-E106 PolarHBondContact O-N 3.46Å; C103-E106 WeakPolarHBondContact O-CB 3.18Å; C103-E106 PolarHBondContact O-N 3.48Å; N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 2.95Å; E106-M108 VanDerWaalsContact C-N 3.34Å; E106-M108 PolarHBondContact O-N 3.04Å; E106-R109 WeakPolarHBondContact O-CB 3.44Å; E106-R109 WeakPolarHBondContact O-CG 3.31Å; E106-R109 PolarHBondContact O-N 3.03Å; E106-R109 IonicContact OE1-NH1 3.72Å; E106-R109 PolarHBondContact OE1-NH1 2.05Å; E106-G118 VanDerWaalsContact OE2-CA 3.25Å; E106-G118 WeakPolarHBondContact OE2-CA 3.48Å; E106-P119 WeakPolarHBondContact OE1-CD 3.35Å; E106-C120 HydrophobicContact CG-CB 4.31Å; E106-C120 WeakPolarHBondContact OE2-CB 3.09Å; E106-C120 PolarHBondContact OE2-N 2.89Å
107	V	78.3	Confident	75	Confident	39 Å²	39	90 Å²	90	24%	0.236	48%	0.483	C	S	.	.	H	α-helix	trans	-66.7	-36.5	-178	174.4	0	0	0	0	111.6	C103 N104 R109 G114 M116	C103-V107 WeakPolarHBondContact O-CG2 3.49Å; C103-V107 PolarHBondContact O-N 3.11Å; N104-V107 PolarHBondContact O-N 3.41Å; V107-R109 PolarHBondContact O-N 3.33Å; V107-G114 PolarHBondContact O-N 2.9Å; V107-M116 HydrophobicContact CG2-CG 4.28Å
108	M	76.5	Confident	74.9	Confident	156 Å²	156	86.1 Å²	86.1	77%	0.768	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	5.1	178.4	-64.2	-65.8	-71.7	0	0	113.6	N104 E106	N104-M108 WeakPolarHBondContact O-CB 3.1Å; N104-M108 WeakPolarHBondContact O-CG 3.45Å; N104-M108 PolarHBondContact O-N 2.96Å; E106-M108 VanDerWaalsContact C-N 3.34Å; E106-M108 PolarHBondContact O-N 3.04Å
109	R	74.4	Confident	74.9	Confident	130 Å²	130	83.9 Å²	83.9	49%	0.491	47%	0.472	S	S	.	.			trans	-64.2	132.1	178.8	-76	-169.4	-179.9	111.1	-1.1	110.6	R105 E106 V107 M111 G113	R105-R109 WeakPolarHBondContact O-CG 3.47Å; E106-R109 WeakPolarHBondContact O-CB 3.44Å; E106-R109 WeakPolarHBondContact O-CG 3.31Å; E106-R109 PolarHBondContact O-N 3.03Å; E106-R109 IonicContact OE1-NH1 3.72Å; E106-R109 PolarHBondContact OE1-NH1 2.05Å; V107-R109 PolarHBondContact O-N 3.33Å; R109-M111 VanDerWaalsContact C-N 3.29Å; R109-M111 PolarHBondContact O-N 2.92Å; R109-G113 WeakPolarHBondContact O-CA 3.47Å; R109-G113 PolarHBondContact O-N 3.37Å
110	P	63.8	Low	75.1	Confident	131 Å²	131	84.9 Å²	84.9	85%	0.851	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.8	-174.2	24.7	-33.6	0	0	0	114.3
111	M	63.2	Low	75.1	Confident	193 Å²	193	80 Å²	80	95%	0.951	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	3.2	-171.7	-68.5	-80.7	179.9	0	0	114.4	R109	R109-M111 VanDerWaalsContact C-N 3.29Å; R109-M111 PolarHBondContact O-N 2.92Å
112	G	58.2	Low	75.1	Confident	58 Å²	58	83.4 Å²	83.4	60%	0.598	46%	0.464	S	S	*	.	S	Bend	trans	-160.7	30.5	-176.5	0	0	0	0	0	113
113	G	56	Low	75.2	Confident	47 Å²	47	84.9 Å²	84.9	49%	0.485	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	144.7	-160.4	0	0	0	0	0	115.1	R109	R109-G113 WeakPolarHBondContact O-CA 3.47Å; R109-G113 PolarHBondContact O-N 3.37Å
114	G	61.2	Low	75.4	Confident	52 Å²	52	85.4 Å²	85.4	54%	0.536	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-23.1	163.6	0	0	0	0	0	116.2	V107	V107-G114 PolarHBondContact O-N 2.9Å
115	H	68.6	Low	75.4	Confident	135 Å²	135	85.3 Å²	85.3	63%	0.625	47%	0.469	S	S	*	.			trans	-89.5	126.1	-178.4	-66.9	-75.8	0	0	0	111.9	T117	H115-T117 HydrophobicContact CB-CG2 3.94Å; H115-T117 VanDerWaalsContact CB-OG1 3.32Å; H115-T117 WeakPolarHBondContact CB-OG1 3.39Å; H115-T117 PolarHBondContact O-N 2.88Å
116	M	74.8	Confident	75.7	Confident	99 Å²	99	83.2 Å²	83.2	49%	0.488	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	38.1	168.1	-65.5	-164.7	75	0	0	112.3	V107 C121 L124	V107-M116 HydrophobicContact CG2-CG 4.28Å; M116-C121 HydrophobicContact CB-CB 4.15Å; M116-C121 WeakPolarHBondContact O-CB 3.34Å; M116-L124 HydrophobicContact CE-CD2 4.28Å
117	T	77.1	Confident	75.9	Confident	116 Å²	116	85 Å²	85	71%	0.712	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-9.1	-174.6	52.7	0	0	0	0	113.3	H115	H115-T117 HydrophobicContact CB-CG2 3.94Å; H115-T117 VanDerWaalsContact CB-OG1 3.32Å; H115-T117 WeakPolarHBondContact CB-OG1 3.39Å; H115-T117 PolarHBondContact O-N 2.88Å
118	G	79.2	Confident	76.2	Confident	16 Å²	16	86.1 Å²	86.1	17%	0.165	48%	0.478	C	S	.	.	S	Bend	trans	-62.4	158.8	176.4	0	0	0	0	0	113.4	E106 C120 C121 K122	E106-G118 VanDerWaalsContact OE2-CA 3.25Å; E106-G118 WeakPolarHBondContact OE2-CA 3.48Å; G118-C120 VanDerWaalsContact C-N 3.3Å; G118-C120 PolarHBondContact O-N 3.47Å; G118-C121 PolarHBondContact O-N 2.95Å; G118-C121 VanDerWaalsContact O-N 3.11Å; G118-K122 PolarHBondContact O-N 3.35Å
119	P	84.4	Confident	76.6	Confident	97 Å²	97	83.9 Å²	83.9	63%	0.63	47%	0.465	S	S	*	.	H	α-helix	trans	-58.1	-38.8	-177.6	23.5	-34.4	0	0	0	112.9	E106 K122 Q123	E106-P119 WeakPolarHBondContact OE1-CD 3.35Å; P119-K122 PolarHBondContact O-N 3.27Å; P119-Q123 PolarHBondContact O-N 3.29Å; P119-Q123 VanDerWaalsContact O-N 3.12Å
120	C	83.5	Confident	77.1	Confident	22 Å²	22	84.3 Å²	84.3	15%	0.149	47%	0.471	C	S	.	.	H	α-helix	trans	-69.7	-38	177	-76.1	0	0	0	0	111.4	C102 C103 E106 G118 Q123 L124	C102-C120 HydrophobicContact CB-CB 3.59Å; C102-C120 WeakPolarHBondContact CB-SG 3.04Å; C102-C120 WeakPolarHBondContact SG-CB 3.26Å; C102-C120 CovalentContact SG-SG 2.04Å; C102-C120 PolarHBondContact SG-SG 2.85Å; C103-C120 HydrophobicContact CB-CB 4.34Å; E106-C120 HydrophobicContact CG-CB 4.31Å; E106-C120 WeakPolarHBondContact OE2-CB 3.09Å; E106-C120 PolarHBondContact OE2-N 2.89Å; G118-C120 VanDerWaalsContact C-N 3.3Å; G118-C120 PolarHBondContact O-N 3.47Å; C120-Q123 PolarHBondContact O-N 3.44Å; C120-L124 PolarHBondContact O-N 3.37Å
121	C	82.9	Confident	78	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-67.3	-39.2	176	-63.9	0	0	0	0	112.6	C103 M116 G118 Q123 L124 I125	C103-C121 WeakPolarHBondContact CA-SG 3.41Å; C103-C121 HydrophobicContact CB-CB 4.02Å; C103-C121 WeakPolarHBondContact CB-SG 3.4Å; C103-C121 WeakPolarHBondContact SG-CA 3.36Å; C103-C121 WeakPolarHBondContact SG-CB 3.36Å; C103-C121 CovalentContact SG-SG 2.05Å; C103-C121 PolarHBondContact SG-SG 3.05Å; M116-C121 HydrophobicContact CB-CB 4.15Å; M116-C121 WeakPolarHBondContact O-CB 3.34Å; G118-C121 PolarHBondContact O-N 2.95Å; G118-C121 VanDerWaalsContact O-N 3.11Å; C121-Q123 VanDerWaalsContact C-N 3.25Å; C121-Q123 PolarHBondContact O-N 3.38Å; C121-L124 WeakPolarHBondContact O-CB 3.49Å; C121-L124 PolarHBondContact O-N 2.9Å; C121-L124 VanDerWaalsContact O-N 3.16Å; C121-I125 VanDerWaalsContact O-CG1 3.29Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 2.87Å
122	K	85.5	Confident	78.9	Confident	136 Å²	136	80.9 Å²	80.9	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-59.8	-38.8	172.7	-169.1	175.6	-174.2	174.5	0	111.5	G118 P119 K126	G118-K122 PolarHBondContact O-N 3.35Å; P119-K122 PolarHBondContact O-N 3.27Å; K122-K126 WeakPolarHBondContact O-CG 3.48Å; K122-K126 PolarHBondContact O-N 3.38Å
123	Q	83.8	Confident	80.1	Confident	59 Å²	59	82.8 Å²	82.8	28%	0.276	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-41.5	174.8	-169.1	169.5	14.9	0	0	111.9	V99 P119 C120 C121 I125 K126 F127	V99-Q123 HydrophobicContact CG1-CB 4.05Å; V99-Q123 HydrophobicContact CG1-CG 4.11Å; V99-Q123 HydrophobicContact CG2-CG 4.33Å; P119-Q123 PolarHBondContact O-N 3.29Å; P119-Q123 VanDerWaalsContact O-N 3.12Å; C120-Q123 PolarHBondContact O-N 3.44Å; C121-Q123 VanDerWaalsContact C-N 3.25Å; C121-Q123 PolarHBondContact O-N 3.38Å; Q123-I125 VanDerWaalsContact C-N 3.3Å; Q123-I125 PolarHBondContact O-N 3.18Å; Q123-K126 WeakPolarHBondContact O-CB 3.34Å; Q123-K126 PolarHBondContact O-N 3.21Å; Q123-F127 HydrophobicContact CG-CD2 3.92Å; Q123-F127 HydrophobicContact CG-CE2 3.8Å; Q123-F127 WeakPolarHBondContact O-CD2 3.43Å; Q123-F127 PolarHBondContact O-N 2.9Å
124	L	85.1	Confident	81.4	Confident	11 Å²	11	82.2 Å²	82.2	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-58.7	-42.4	175	-174.4	62	0	0	0	111.8	Y96 V99 K100 C103 M116 C120 C121 F127 N128	Y96-L124 HydrophobicContact CD2-CD1 4.43Å; Y96-L124 HydrophobicContact CE2-CD1 3.79Å; V99-L124 HydrophobicContact CG1-CB 3.88Å; V99-L124 HydrophobicContact CG1-CD1 4.32Å; K100-L124 HydrophobicContact CB-CD1 4.03Å; K100-L124 HydrophobicContact CG-CD2 4.5Å; C103-L124 HydrophobicContact CB-CB 4.43Å; C103-L124 HydrophobicContact CB-CD2 3.94Å; M116-L124 HydrophobicContact CE-CD2 4.28Å; C120-L124 PolarHBondContact O-N 3.37Å; C121-L124 WeakPolarHBondContact O-CB 3.49Å; C121-L124 PolarHBondContact O-N 2.9Å; C121-L124 VanDerWaalsContact O-N 3.16Å; L124-F127 PolarHBondContact O-N 2.04Å; L124-N128 WeakPolarHBondContact O-CB 3.45Å; L124-N128 PolarHBondContact O-N 3.43Å
125	I	85.6	Confident	82.4	Confident	88 Å²	88	85.8 Å²	85.8	45%	0.451	42%	0.421	S	S	.	.	H	α-helix	trans	-60.7	-45.5	176.2	-67.9	163.7	0	0	0	110.4	C121 Q123 F127 N128 H129	C121-I125 VanDerWaalsContact O-CG1 3.29Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 2.87Å; Q123-I125 VanDerWaalsContact C-N 3.3Å; Q123-I125 PolarHBondContact O-N 3.18Å; I125-F127 PolarHBondContact O-N 2.94Å; I125-N128 PolarHBondContact O-N 3.31Å; I125-H129 WeakPolarHBondContact O-CB 3.36Å; I125-H129 PolarHBondContact O-N 3.14Å
126	K	86.9	Confident	83.1	Confident	140 Å²	140	83.4 Å²	83.4	61%	0.609	42%	0.417	S	S	*	.	H	α-helix	trans	-60.6	-43.3	175.6	-71.9	-179.2	178.4	-173.1	0	112.2	K122 Q123 H129 F130	K122-K126 WeakPolarHBondContact O-CG 3.48Å; K122-K126 PolarHBondContact O-N 3.38Å; Q123-K126 WeakPolarHBondContact O-CB 3.34Å; Q123-K126 PolarHBondContact O-N 3.21Å; K126-H129 PolarHBondContact O-N 2.75Å; K126-F130 PolarHBondContact O-N 3.28Å
127	F	84.4	Confident	83.5	Confident	59 Å²	59	87 Å²	87	26%	0.259	43%	0.426	S	S	.	.	H	α-helix	trans	-61.9	-48.1	175.8	-91.1	-72.7	0	0	0	112.1	F95 Y96 V99 Q123 L124 I125 H129 F130 I131	F95-F127 HydrophobicContact CD1-CE1 4.2Å; F95-F127 AromaticContact CD1-CE2 3.73Å; F95-F127 HydrophobicContact CD1-CE2 3.73Å; F95-F127 AromaticContact CD1-CZ 3.36Å; F95-F127 HydrophobicContact CD1-CZ 3.36Å; F95-F127 AromaticContact CE1-CE2 3.38Å; F95-F127 HydrophobicContact CE1-CE2 3.38Å; F95-F127 AromaticContact CE1-CZ 3.33Å; F95-F127 HydrophobicContact CE1-CZ 3.33Å; Y96-F127 HydrophobicContact CD2-CB 3.96Å; Y96-F127 HydrophobicContact CD2-CG 4.3Å; Y96-F127 HydrophobicContact CE2-CB 4.1Å; V99-F127 HydrophobicContact CG2-CE2 4.36Å; Q123-F127 HydrophobicContact CG-CD2 3.92Å; Q123-F127 HydrophobicContact CG-CE2 3.8Å; Q123-F127 WeakPolarHBondContact O-CD2 3.43Å; Q123-F127 PolarHBondContact O-N 2.9Å; L124-F127 PolarHBondContact O-N 2.04Å; I125-F127 PolarHBondContact O-N 2.94Å; F127-H129 VanDerWaalsContact C-N 3.27Å; F127-H129 PolarHBondContact O-N 3.49Å; F127-F130 PolarHBondContact O-N 2.94Å; F127-I131 VanDerWaalsContact O-CG1 3.27Å; F127-I131 WeakPolarHBondContact O-CG1 3.32Å; F127-I131 PolarHBondContact O-N 3.39Å
128	N	84.4	Confident	83.6	Confident	64 Å²	64	86.8 Å²	86.8	34%	0.342	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-39.3	178.3	-73.4	-16.9	0	0	0	111.4	Y96 L124 I125 I131 W132	Y96-N128 VanDerWaalsContact CE2-OD1 3.29Å; Y96-N128 WeakPolarHBondContact CE2-OD1 3.26Å; Y96-N128 PolarHBondContact OH-OD1 2.86Å; L124-N128 WeakPolarHBondContact O-CB 3.45Å; L124-N128 PolarHBondContact O-N 3.43Å; I125-N128 PolarHBondContact O-N 3.31Å; N128-I131 PolarHBondContact O-N 2.83Å; N128-W132 VanDerWaalsContact O-CB 3.31Å; N128-W132 WeakPolarHBondContact O-CB 3.38Å; N128-W132 PolarHBondContact O-N 3.45Å
129	H	85.5	Confident	83.6	Confident	109 Å²	109	92.4 Å²	92.4	51%	0.505	44%	0.435	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.4	-171.6	64.2	0	0	0	112	I125 K126 F127 W132 L133	I125-H129 WeakPolarHBondContact O-CB 3.36Å; I125-H129 PolarHBondContact O-N 3.14Å; K126-H129 PolarHBondContact O-N 2.75Å; F127-H129 VanDerWaalsContact C-N 3.27Å; F127-H129 PolarHBondContact O-N 3.49Å; H129-W132 PolarHBondContact O-N 3.27Å; H129-L133 WeakPolarHBondContact O-CG 3.38Å; H129-L133 PolarHBondContact O-N 2.97Å
130	F	85.4	Confident	83.4	Confident	138 Å²	138	95.3 Å²	95.3	61%	0.605	44%	0.438	S	S	*	.	H	α-helix	trans	-62.9	-43.4	175.5	178.9	-96.8	0	0	0	112.4	K126 F127 W132 L133 S134	K126-F130 PolarHBondContact O-N 3.28Å; F127-F130 PolarHBondContact O-N 2.94Å; F130-W132 VanDerWaalsContact C-N 3.31Å; F130-W132 PolarHBondContact O-N 3.34Å; F130-L133 PolarHBondContact O-N 3.24Å; F130-S134 WeakPolarHBondContact O-CB 3.42Å; F130-S134 PolarHBondContact O-N 3.34Å; F130-S134 PolarHBondContact O-OG 3.11Å
131	I	82	Confident	83.2	Confident	74 Å²	74	96.6 Å²	96.6	38%	0.379	45%	0.445	S	S	.	.	H	α-helix	trans	-60.4	-45.5	175.7	-68.6	165.5	0	0	0	109.5	Y96 F127 N128 L133 S134 F135	Y96-I131 HydrophobicContact CD2-CD1 3.91Å; Y96-I131 HydrophobicContact CE2-CD1 3.7Å; F127-I131 VanDerWaalsContact O-CG1 3.27Å; F127-I131 WeakPolarHBondContact O-CG1 3.32Å; F127-I131 PolarHBondContact O-N 3.39Å; N128-I131 PolarHBondContact O-N 2.83Å; I131-L133 PolarHBondContact O-N 3.23Å; I131-S134 WeakPolarHBondContact CA-OG 3.32Å; I131-S134 PolarHBondContact O-N 3.05Å; I131-S134 PolarHBondContact O-OG 2.94Å; I131-S134 VanDerWaalsContact O-OG 3.12Å; I131-F135 VanDerWaalsContact O-CB 3.26Å; I131-F135 WeakPolarHBondContact O-CB 3.39Å; I131-F135 PolarHBondContact O-N 2.91Å
132	W	81.7	Confident	82.8	Confident	179 Å²	179	100.6 Å²	100.6	68%	0.678	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-43	179.4	-177.3	78.5	0	0	0	112.6	N128 H129 F130 P136	N128-W132 VanDerWaalsContact O-CB 3.31Å; N128-W132 WeakPolarHBondContact O-CB 3.38Å; N128-W132 PolarHBondContact O-N 3.45Å; H129-W132 PolarHBondContact O-N 3.27Å; F130-W132 VanDerWaalsContact C-N 3.31Å; F130-W132 PolarHBondContact O-N 3.34Å; W132-P136 VanDerWaalsContact O-CD 3.26Å; W132-P136 WeakPolarHBondContact O-CD 3.43Å
133	L	84.1	Confident	82.4	Confident	98 Å²	98	97.6 Å²	97.6	51%	0.513	46%	0.459	S	S	.	.	H	α-helix	trans	-67.3	-37	176.1	-71.5	175.8	0	0	0	113	H129 F130 I131 P136	H129-L133 WeakPolarHBondContact O-CG 3.38Å; H129-L133 PolarHBondContact O-N 2.97Å; F130-L133 PolarHBondContact O-N 3.24Å; I131-L133 PolarHBondContact O-N 3.23Å; L133-P136 WeakPolarHBondContact O-CD 3.4Å
134	S	82.1	Confident	82	Confident	35 Å²	35	100.5 Å²	100.5	25%	0.245	47%	0.47	C	S	.	.	H	α-helix	trans	-82.2	-19.4	-179.4	56.2	0	0	0	0	113.3	F130 I131 W137 F138	F130-S134 WeakPolarHBondContact O-CB 3.42Å; F130-S134 PolarHBondContact O-N 3.34Å; F130-S134 PolarHBondContact O-OG 3.11Å; I131-S134 WeakPolarHBondContact CA-OG 3.32Å; I131-S134 PolarHBondContact O-N 3.05Å; I131-S134 PolarHBondContact O-OG 2.94Å; I131-S134 VanDerWaalsContact O-OG 3.12Å; S134-W137 WeakPolarHBondContact O-CB 3.29Å; S134-W137 PolarHBondContact O-N 3.24Å; S134-W137 VanDerWaalsContact O-N 3.16Å; S134-F138 WeakPolarHBondContact O-CB 3.25Å; S134-F138 PolarHBondContact O-N 2.86Å
135	F	82.6	Confident	81.4	Confident	126 Å²	126	105.6 Å²	105.6	55%	0.553	50%	0.497	S	S	*	.	H	α-helix	trans	-59.7	-43.8	-175.8	-170.3	-103.3	0	0	0	114.2	I131 W137 F138 K139	I131-F135 VanDerWaalsContact O-CB 3.26Å; I131-F135 WeakPolarHBondContact O-CB 3.39Å; I131-F135 PolarHBondContact O-N 2.91Å; F135-W137 VanDerWaalsContact C-N 3.32Å; F135-W137 PolarHBondContact O-N 3.4Å; F135-F138 PolarHBondContact O-N 3.16Å; F135-K139 WeakPolarHBondContact O-CB 3.48Å; F135-K139 PolarHBondContact O-N 3.47Å
136	P	84.7	Confident	80.7	Confident	86 Å²	86	106.7 Å²	106.7	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-60.3	-41	174.5	-23.5	33.8	0	0	0	112.8	W132 L133 K140	W132-P136 VanDerWaalsContact O-CD 3.26Å; W132-P136 WeakPolarHBondContact O-CD 3.43Å; L133-P136 WeakPolarHBondContact O-CD 3.4Å; P136-K140 WeakPolarHBondContact O-CB 3.37Å; P136-K140 PolarHBondContact O-N 3.01Å
137	W	81.7	Confident	79.8	Confident	174 Å²	174	105.5 Å²	105.5	66%	0.659	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-47.3	176.9	179.7	85.7	0	0	0	110.9	S134 F135 K139 K140 T141	S134-W137 WeakPolarHBondContact O-CB 3.29Å; S134-W137 PolarHBondContact O-N 3.24Å; S134-W137 VanDerWaalsContact O-N 3.16Å; F135-W137 VanDerWaalsContact C-N 3.32Å; F135-W137 PolarHBondContact O-N 3.4Å; W137-K139 VanDerWaalsContact C-N 3.34Å; W137-K139 PolarHBondContact O-N 3.35Å; W137-K140 PolarHBondContact O-N 3.12Å; W137-T141 PolarHBondContact O-N 2.88Å; W137-T141 PolarHBondContact O-OG1 3.36Å; W137-T141 VanDerWaalsContact O-OG1 3.06Å
138	F	79.4	Confident	78.1	Confident	111 Å²	111	111.5 Å²	111.5	49%	0.487	54%	0.542	S	S	.	.	H	α-helix	trans	-60.9	-43.1	178	-169	-104.9	0	0	0	112	S134 F135 K140 T141 L142	S134-F138 WeakPolarHBondContact O-CB 3.25Å; S134-F138 PolarHBondContact O-N 2.86Å; F135-F138 PolarHBondContact O-N 3.16Å; F138-K140 VanDerWaalsContact C-N 3.35Å; F138-K140 PolarHBondContact O-N 3.48Å; F138-T141 PolarHBondContact O-N 3.19Å; F138-L142 HydrophobicContact CD1-CD1 3.69Å; F138-L142 HydrophobicContact CD1-CG 4.22Å; F138-L142 HydrophobicContact CE1-CD1 3.29Å; F138-L142 HydrophobicContact CE1-CG 3.94Å; F138-L142 HydrophobicContact CZ-CD1 3.94Å; F138-L142 HydrophobicContact CZ-CD2 4.38Å; F138-L142 HydrophobicContact CZ-CG 4.19Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 WeakPolarHBondContact O-CG 3.45Å; F138-L142 PolarHBondContact O-N 3.42Å
139	K	79.5	Confident	77.8	Confident	134 Å²	134	113.9 Å²	113.9	58%	0.583	55%	0.552	S	S	*	*	H	α-helix	trans	-59.2	-45.3	174.9	-173	178.9	-179.9	-177.5	0	111.2	F135 W137 L142 T143	F135-K139 WeakPolarHBondContact O-CB 3.48Å; F135-K139 PolarHBondContact O-N 3.47Å; W137-K139 VanDerWaalsContact C-N 3.34Å; W137-K139 PolarHBondContact O-N 3.35Å; K139-L142 PolarHBondContact O-N 3.02Å; K139-T143 WeakPolarHBondContact O-CG2 3.31Å; K139-T143 PolarHBondContact O-N 3.2Å; K139-T143 PolarHBondContact O-OG1 3.32Å; K139-T143 VanDerWaalsContact O-OG1 3.09Å
140	K	81.3	Confident	77.4	Confident	159 Å²	159	114.2 Å²	114.2	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-63.2	-43.5	178.2	-171.3	177.4	-179.3	179.2	0	112	P136 W137 F138 T143 K144	P136-K140 WeakPolarHBondContact O-CB 3.37Å; P136-K140 PolarHBondContact O-N 3.01Å; W137-K140 PolarHBondContact O-N 3.12Å; F138-K140 VanDerWaalsContact C-N 3.35Å; F138-K140 PolarHBondContact O-N 3.48Å; K140-T143 WeakPolarHBondContact CA-OG1 3.32Å; K140-T143 PolarHBondContact O-N 2.97Å; K140-T143 PolarHBondContact O-OG1 3.4Å; K140-K144 PolarHBondContact O-N 3.18Å
141	T	79.2	Confident	77	Confident	49 Å²	49	112.8 Å²	112.8	30%	0.301	55%	0.551	S	S	.	*	H	α-helix	trans	-65.2	-43	178.4	-56.4	0	0	0	0	111.5	W137 F138 K144 L145	W137-T141 PolarHBondContact O-N 2.88Å; W137-T141 PolarHBondContact O-OG1 3.36Å; W137-T141 VanDerWaalsContact O-OG1 3.06Å; F138-T141 PolarHBondContact O-N 3.19Å; T141-K144 PolarHBondContact O-N 3.41Å; T141-L145 HydrophobicContact CG2-CD1 4.23Å; T141-L145 WeakPolarHBondContact O-CG 3.29Å; T141-L145 PolarHBondContact O-N 3Å
142	L	73.4	Confident	76.7	Confident	83 Å²	83	115.1 Å²	115.1	44%	0.435	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-44	175.1	-76.9	-179.8	0	0	0	112.3	F138 K139 K144 L145 T146	F138-L142 HydrophobicContact CD1-CD1 3.69Å; F138-L142 HydrophobicContact CD1-CG 4.22Å; F138-L142 HydrophobicContact CE1-CD1 3.29Å; F138-L142 HydrophobicContact CE1-CG 3.94Å; F138-L142 HydrophobicContact CZ-CD1 3.94Å; F138-L142 HydrophobicContact CZ-CD2 4.38Å; F138-L142 HydrophobicContact CZ-CG 4.19Å; F138-L142 WeakPolarHBondContact O-CB 3.44Å; F138-L142 WeakPolarHBondContact O-CG 3.45Å; F138-L142 PolarHBondContact O-N 3.42Å; K139-L142 PolarHBondContact O-N 3.02Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 3.14Å; L142-L145 PolarHBondContact O-N 2.92Å; L142-T146 PolarHBondContact O-N 3.43Å; L142-T146 VanDerWaalsContact O-N 3.17Å; L142-T146 PolarHBondContact O-OG1 3.45Å
143	T	76.5	Confident	76.4	Confident	73 Å²	73	111.1 Å²	111.1	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-61.1	-39.3	176.6	47.1	0	0	0	0	111.7	K139 K140 T146 T147	K139-T143 WeakPolarHBondContact O-CG2 3.31Å; K139-T143 PolarHBondContact O-N 3.2Å; K139-T143 PolarHBondContact O-OG1 3.32Å; K139-T143 VanDerWaalsContact O-OG1 3.09Å; K140-T143 WeakPolarHBondContact CA-OG1 3.32Å; K140-T143 PolarHBondContact O-N 2.97Å; K140-T143 PolarHBondContact O-OG1 3.4Å; T143-T146 PolarHBondContact O-N 3.45Å; T143-T146 PolarHBondContact O-OG1 3.32Å; T143-T147 WeakPolarHBondContact O-CG2 3.48Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3.42Å
144	K	75.8	Confident	75.8	Confident	120 Å²	120	112 Å²	112	52%	0.522	56%	0.557	S	S	.	*	H	α-helix	trans	-63.2	-45.1	177.9	-171.2	179.9	176.7	-174.2	0	111.6	K140 T141 L142 T146 T147 E148	K140-K144 PolarHBondContact O-N 3.18Å; T141-K144 PolarHBondContact O-N 3.41Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 3.14Å; K144-T146 PolarHBondContact O-N 3.07Å; K144-T147 PolarHBondContact O-N 3.45Å; K144-T147 PolarHBondContact O-OG1 3.16Å; K144-T147 VanDerWaalsContact O-OG1 3.08Å; K144-E148 VanDerWaalsContact CE-CD 3.49Å; K144-E148 WeakPolarHBondContact CE-OE1 3.38Å; K144-E148 WeakPolarHBondContact CE-OE2 3.44Å; K144-E148 IonicContact NZ-OE1 3.35Å; K144-E148 PolarHBondContact O-N 3.44Å
145	L	72.6	Confident	75.4	Confident	119 Å²	119	117.5 Å²	117.5	62%	0.623	58%	0.579	S	S	*	*	H	α-helix	trans	-65.7	-20.7	178.2	-73.3	166.8	0	0	0	114.2	T141 L142	T141-L145 HydrophobicContact CG2-CD1 4.23Å; T141-L145 WeakPolarHBondContact O-CG 3.29Å; T141-L145 PolarHBondContact O-N 3Å; L142-L145 PolarHBondContact O-N 2.92Å
146	T	71.1	Confident	74.8	Confident	111 Å²	111	116.8 Å²	116.8	68%	0.681	58%	0.581	S	S	*	*	H	α-helix	trans	-92.6	-18.4	176.9	52.5	0	0	0	0	113.8	L142 T143 K144	L142-T146 PolarHBondContact O-N 3.43Å; L142-T146 VanDerWaalsContact O-N 3.17Å; L142-T146 PolarHBondContact O-OG1 3.45Å; T143-T146 PolarHBondContact O-N 3.45Å; T143-T146 PolarHBondContact O-OG1 3.32Å; K144-T146 PolarHBondContact O-N 3.07Å
147	T	67.4	Low	74	Confident	115 Å²	115	119.4 Å²	119.4	71%	0.706	58%	0.583	S	S	*	*	H	α-helix	trans	-97	-18.6	-178.9	50.4	0	0	0	0	113.7	T143 K144	T143-T147 WeakPolarHBondContact O-CG2 3.48Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3.42Å; K144-T147 PolarHBondContact O-N 3.45Å; K144-T147 PolarHBondContact O-OG1 3.16Å; K144-T147 VanDerWaalsContact O-OG1 3.08Å
148	E	50.2	Low	73.3	Confident	185 Å²	185	114.5 Å²	114.5	86%	0.864	58%	0.576	S	S	*	*			trans	-96.8	0	170.7	-67.4	176.5	176.1	0	0	110	K144	K144-E148 VanDerWaalsContact CE-CD 3.49Å; K144-E148 WeakPolarHBondContact CE-OE1 3.38Å; K144-E148 WeakPolarHBondContact CE-OE2 3.44Å; K144-E148 IonicContact NZ-OE1 3.35Å; K144-E148 PolarHBondContact O-N 3.44Å

Retrieved 148 of 148 residues in 466.7 ms (Link to these results)

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