A0A087WT10_HUMAN Loading...

Centromere protein S

AlphaFold DB , UniProt , Accession A0A087WT10, Species HUMAN (Homo sapiens, Human), Gene CENPS-CORT, Length 143 aa.

						>A0A087WT10_HUMAN|A0A087WT10|CENPS-CORT
MSSRRGSFLSTKLHCSSCLPCPLSFEKFKPSEKLQEHENFAKDLEMFARHAKRTTINTEDVKLLARRSNSLHMQEAAGIRKSSLLTFLAWWFEWTSQASAGPLIGEEAREVARRQEGAPPQQSARRDRMPCRNFFWKTFSSCK
					

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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	36.9	Very low	35.3	Very low	248 Å²	248	155 Å²	155	100%	1.222	84%	0.84	S	S	*	*				0	94.9	0	-67.3	168	76.6	0	0	108.3
2	S	36.7	Very low	35.7	Very low	128 Å²	128	158.4 Å²	158.4	90%	0.895	84%	0.841	S	S	*	*			trans	-95.9	119.9	-179.9	-59.1	0	0	0	0	108.8
3	S	30.4	Very low	35.8	Very low	116 Å²	116	158.3 Å²	158.3	81%	0.811	84%	0.839	S	S	*	*			trans	-158.1	97.4	156	-144.6	0	0	0	0	111.9	R5	S3-R5 PolarHBondContact O-N 3.05Å
4	R	38.7	Very low	35.5	Very low	242 Å²	242	159 Å²	159	91%	0.913	84%	0.835	S	S	*	*			trans	18.8	84.1	156.1	-60.1	177.5	-161.9	-140.3	0.9	116.8	G6	R4-G6 PolarHBondContact O-N 3.03Å; R4-G6 VanDerWaalsContact O-N 3.14Å
5	R	37.7	Very low	35.4	Very low	241 Å²	241	152.9 Å²	152.9	91%	0.909	81%	0.81	S	S	*	*			trans	-62.5	109.4	144.1	-75.9	-178.6	-126.7	-156.1	0.3	106.2	S3 S7	S3-R5 PolarHBondContact O-N 3.05Å; R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.48Å
6	G	32	Very low	35.7	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	81%	0.808	S	S	*	*			trans	-59.2	99.6	174.2	0	0	0	0	0	108.8	R4 F8	R4-G6 PolarHBondContact O-N 3.03Å; R4-G6 VanDerWaalsContact O-N 3.14Å; G6-F8 PolarHBondContact O-N 2.73Å
7	S	34.6	Very low	36.4	Very low	98 Å²	98	147.6 Å²	147.6	69%	0.685	80%	0.803	S	S	*	*			trans	-64.6	86.2	164.6	-44.2	0	0	0	0	106.6	R5 L9	R5-S7 VanDerWaalsContact C-N 3.34Å; R5-S7 PolarHBondContact O-N 3.48Å; S7-L9 PolarHBondContact O-N 2.8Å
8	F	31.1	Very low	36.1	Very low	200 Å²	200	143.7 Å²	143.7	88%	0.877	79%	0.788	S	S	*	*			trans	-70.3	88.5	164.1	-147.5	-95.9	0	0	0	104.8	G6 S10	G6-F8 PolarHBondContact O-N 2.73Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.02Å
9	L	38.8	Very low	36.3	Very low	136 Å²	136	144.6 Å²	144.6	71%	0.712	79%	0.791	S	S	*	*			trans	-56.7	105.1	174.3	-85.7	101.4	0	0	0	106.4	S7 T11	S7-L9 PolarHBondContact O-N 2.8Å; L9-T11 HydrophobicContact CB-CG2 4.47Å; L9-T11 PolarHBondContact O-N 3.35Å
10	S	38.1	Very low	36.3	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	79%	0.787	S	S	*	*			trans	-57.8	82.6	164.6	-170.4	0	0	0	0	107.1	F8 K12	F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.02Å; S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.5Å; S10-K12 VanDerWaalsContact O-N 3.1Å
11	T	33	Very low	36.1	Very low	112 Å²	112	141.3 Å²	141.3	69%	0.687	79%	0.785	S	S	*	*			trans	-76.3	97.6	170.5	44.6	0	0	0	0	105.1	L9 L13	L9-T11 HydrophobicContact CB-CG2 4.47Å; L9-T11 PolarHBondContact O-N 3.35Å; T11-L13 PolarHBondContact O-N 3.13Å
12	K	40.1	Very low	36.1	Very low	196 Å²	196	134.5 Å²	134.5	85%	0.852	76%	0.759	S	S	*	*			trans	-51.5	104	166.6	-74	175.2	179	174.4	0	107.3	S10 H14	S10-K12 VanDerWaalsContact C-N 3.34Å; S10-K12 PolarHBondContact O-N 3.5Å; S10-K12 VanDerWaalsContact O-N 3.1Å; K12-H14 PolarHBondContact O-N 3.34Å
13	L	37.4	Very low	36.2	Very low	157 Å²	157	136.1 Å²	136.1	82%	0.822	76%	0.757	S	S	*	*			trans	-67.4	99.7	168.7	-76	161.4	0	0	0	106.9	T11 C15	T11-L13 PolarHBondContact O-N 3.13Å; L13-C15 PolarHBondContact O-N 2.94Å
14	H	31.9	Very low	36.5	Very low	168 Å²	168	134 Å²	134	78%	0.778	74%	0.742	S	S	*	*			trans	-84.3	109.2	172.2	-171.9	-98.6	0	0	0	108.5	K12	K12-H14 PolarHBondContact O-N 3.34Å
15	C	33.6	Very low	36.4	Very low	68 Å²	68	130.4 Å²	130.4	46%	0.459	73%	0.733	S	S	.	*			trans	-88.6	111.8	166	-172.1	0	0	0	0	107.9	L13 S17 C18	L13-C15 PolarHBondContact O-N 2.94Å; C15-S17 PolarHBondContact O-N 3.31Å; C15-S17 VanDerWaalsContact O-N 3.13Å; C15-C18 HydrophobicContact CB-CB 4.24Å; C15-C18 PolarHBondContact SG-SG 3.21Å
16	S	40.4	Very low	36.3	Very low	112 Å²	112	126.7 Å²	126.7	78%	0.783	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-2.5	-175.9	53.6	0	0	0	0	114.6
17	S	46.8	Very low	36.7	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	3.1	-177.2	49.6	0	0	0	0	114.3	C15	C15-S17 PolarHBondContact O-N 3.31Å; C15-S17 VanDerWaalsContact O-N 3.13Å
18	C	32.5	Very low	36.9	Very low	78 Å²	78	131.1 Å²	131.1	53%	0.527	71%	0.713	S	S	.	*			trans	-138.3	105.5	-175.3	-50.8	0	0	0	0	110	C15	C15-C18 HydrophobicContact CB-CB 4.24Å; C15-C18 PolarHBondContact SG-SG 3.21Å
19	L	38.4	Very low	37.2	Very low	161 Å²	161	129.9 Å²	129.9	84%	0.843	71%	0.707	S	S	*	*			trans	-50.8	152.4	161.2	-86.5	158.7	0	0	0	110.5	C21	L19-C21 PolarHBondContact O-N 3.39Å
20	P	37.2	Very low	37.3	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	69%	0.691	S	S	*	*			trans	-70.5	113.7	-154.8	28	-33.5	0	0	0	110.4	P22	P20-P22 VanDerWaalsContact O-CD 3.26Å; P20-P22 WeakPolarHBondContact O-CD 3.44Å
21	C	31.3	Very low	37.3	Very low	111 Å²	111	125.8 Å²	125.8	75%	0.75	69%	0.689	S	S	*	*			trans	-79.8	111.2	158.3	-65.4	0	0	0	0	106.8	L19 L23	L19-C21 PolarHBondContact O-N 3.39Å; C21-L23 PolarHBondContact O-N 3.1Å
22	P	38.3	Very low	38.2	Very low	105 Å²	105	128.8 Å²	128.8	68%	0.682	70%	0.695	S	S	*	*			trans	-80	70.3	171.9	36.2	-29.5	0	0	0	106.5	P20 S24	P20-P22 VanDerWaalsContact O-CD 3.26Å; P20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-S24 PolarHBondContact O-N 2.85Å; P22-S24 VanDerWaalsContact O-N 3.12Å
23	L	38.3	Very low	38.6	Very low	162 Å²	162	128.8 Å²	128.8	85%	0.848	70%	0.695	S	S	*	*			trans	-82.8	62.1	149.1	-66.2	-177.7	0	0	0	106.2	C21 F25	C21-L23 PolarHBondContact O-N 3.1Å; L23-F25 PolarHBondContact O-N 3.15Å; L23-F25 VanDerWaalsContact O-N 3.15Å
24	S	36.9	Very low	39.1	Very low	71 Å²	71	124.7 Å²	124.7	50%	0.497	67%	0.673	S	S	.	*			trans	-46.8	121.5	152.4	-16.8	0	0	0	0	104.5	P22 E26	P22-S24 PolarHBondContact O-N 2.85Å; P22-S24 VanDerWaalsContact O-N 3.12Å; S24-E26 PolarHBondContact O-N 3.49Å
25	F	36.2	Very low	40.1	Very low	167 Å²	167	124.3 Å²	124.3	73%	0.732	67%	0.672	S	S	*	*			trans	-57.4	82.7	153.8	-133.4	-98.4	0	0	0	104.3	L23 K27	L23-F25 PolarHBondContact O-N 3.15Å; L23-F25 VanDerWaalsContact O-N 3.15Å; F25-K27 PolarHBondContact O-N 3.01Å
26	E	35.2	Very low	41.1	Very low	163 Å²	163	125.4 Å²	125.4	76%	0.762	67%	0.67	S	S	*	*			trans	-75.2	86.5	-174	-161.5	161.4	136.7	0	0	105.1	S24 F28	S24-E26 PolarHBondContact O-N 3.49Å; E26-F28 PolarHBondContact O-N 2.93Å
27	K	39.8	Very low	42.1	Very low	170 Å²	170	121.3 Å²	121.3	74%	0.739	64%	0.639	S	S	*	*			trans	27.9	74.8	161.2	-148.8	164	-169.3	161.2	0	111.5	F25 K29	F25-K27 PolarHBondContact O-N 3.01Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.19Å
28	F	38.7	Very low	42.8	Very low	93 Å²	93	120.5 Å²	120.5	41%	0.408	62%	0.624	S	S	.	*			trans	-54.9	104.5	162.1	-148.3	-97.8	0	0	0	106.3	E26 P30 W90	E26-F28 PolarHBondContact O-N 2.93Å; F28-P30 VanDerWaalsContact C-CD 3.41Å; F28-P30 HydrophobicContact CD1-CB 4.18Å; F28-P30 HydrophobicContact CD1-CG 4.46Å; F28-P30 HydrophobicContact CE1-CB 4.19Å; F28-P30 WeakPolarHBondContact O-CD 3.29Å; F28-W90 HydrophobicContact CD2-CH2 4.23Å; F28-W90 HydrophobicContact CD2-CZ2 4.47Å; F28-W90 AromaticContact CE1-CH2 3.86Å; F28-W90 HydrophobicContact CE1-CH2 3.86Å; F28-W90 HydrophobicContact CE1-CZ2 4.05Å; F28-W90 AromaticContact CE2-CH2 3.3Å; F28-W90 HydrophobicContact CE2-CH2 3.3Å; F28-W90 AromaticContact CE2-CZ2 3.23Å; F28-W90 HydrophobicContact CE2-CZ2 3.23Å; F28-W90 AromaticContact CZ-CE2 3.96Å; F28-W90 AromaticContact CZ-CH2 3.1Å; F28-W90 HydrophobicContact CZ-CH2 3.1Å; F28-W90 AromaticContact CZ-CZ2 2.97Å; F28-W90 HydrophobicContact CZ-CZ2 2.97Å; F28-W90 HydrophobicContact CZ-CZ3 4.22Å
29	K	37.5	Very low	44.6	Very low	174 Å²	174	120.9 Å²	120.9	76%	0.757	62%	0.62	S	S	*	*			trans	-94	88.4	169.4	-91.2	-100.1	-173.4	171.2	0	104.5	K27 S31	K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 3.19Å; K29-S31 PolarHBondContact O-N 3.13Å
30	P	41.8	Very low	46.2	Very low	56 Å²	56	114.5 Å²	114.5	36%	0.364	59%	0.586	S	S	.	*			trans	-69.1	104.2	172.2	29.7	-31	0	0	0	106.1	F28 E32	F28-P30 VanDerWaalsContact C-CD 3.41Å; F28-P30 HydrophobicContact CD1-CB 4.18Å; F28-P30 HydrophobicContact CD1-CG 4.46Å; F28-P30 HydrophobicContact CE1-CB 4.19Å; F28-P30 WeakPolarHBondContact O-CD 3.29Å; P30-E32 PolarHBondContact O-N 2.79Å; P30-E32 VanDerWaalsContact O-N 3.07Å
31	S	38.1	Very low	48.1	Very low	106 Å²	106	110.9 Å²	110.9	74%	0.741	57%	0.565	S	S	*	*			trans	-63.6	109.4	162	179.3	0	0	0	0	106.2	K29 K33	K29-S31 PolarHBondContact O-N 3.13Å; S31-K33 PolarHBondContact O-N 2.83Å
32	E	52.2	Low	50.2	Low	175 Å²	175	110.4 Å²	110.4	82%	0.818	55%	0.55	S	S	*	*	S	Bend	trans	18.5	92.3	160	-66.1	176.6	111.7	0	0	116.4	P30	P30-E32 PolarHBondContact O-N 2.79Å; P30-E32 VanDerWaalsContact O-N 3.07Å
33	K	46.9	Very low	52	Low	196 Å²	196	106.3 Å²	106.3	85%	0.852	52%	0.523	S	S	*	.	S	Bend	trans	171	27.1	136.3	-97.8	-174.6	-177.2	-174.4	0	115.2	S31	S31-K33 PolarHBondContact O-N 2.83Å
34	L	48.4	Very low	53.8	Low	71 Å²	71	98.7 Å²	98.7	37%	0.372	48%	0.483	S	S	.	.			trans	-136.3	46.5	-165.6	-61.9	-175.5	0	0	0	114.5	E36 H37 E38	L34-E36 PolarHBondContact O-N 3.35Å; L34-H37 HydrophobicContact CB-CB 3.84Å; L34-H37 WeakPolarHBondContact CB-CD2 3.5Å; L34-H37 HydrophobicContact CD1-CB 4.46Å; L34-H37 WeakPolarHBondContact CD2-CD2 3.44Å; L34-H37 WeakPolarHBondContact CD2-NE2 3.32Å; L34-H37 PolarHBondContact O-N 2.93Å; L34-E38 PolarHBondContact O-N 3.3Å
35	Q	54.1	Low	55.8	Low	160 Å²	160	100.3 Å²	100.3	75%	0.748	48%	0.482	S	S	*	.	H	α-helix	trans	-58.2	-29.4	175.7	-166	172.7	3	0	0	112.5	N39	Q35-N39 PolarHBondContact O-ND2 2.97Å
36	E	54.8	Low	57.7	Low	91 Å²	91	97.5 Å²	97.5	43%	0.425	47%	0.473	S	S	.	.	H	α-helix	trans	-69.6	-34.8	173.5	-59.3	-170	169.5	0	0	112.7	L34 N39 F40 S83	L34-E36 PolarHBondContact O-N 3.35Å; E36-N39 PolarHBondContact O-N 3.38Å; E36-F40 HydrophobicContact CB-CE2 4.46Å; E36-F40 WeakPolarHBondContact O-CD2 3.27Å; E36-F40 PolarHBondContact O-N 2.89Å; E36-S83 WeakPolarHBondContact OE2-CB 3.08Å; E36-S83 PolarHBondContact OE2-OG 3.32Å
37	H	60.8	Low	59.6	Low	26 Å²	26	91.8 Å²	91.8	12%	0.12	45%	0.445	C	S	.	.	H	α-helix	trans	-74.4	-29.6	-179.2	-56.1	-103.2	0	0	0	111.8	L34 N39 F40 A41 F87	L34-H37 HydrophobicContact CB-CB 3.84Å; L34-H37 WeakPolarHBondContact CB-CD2 3.5Å; L34-H37 HydrophobicContact CD1-CB 4.46Å; L34-H37 WeakPolarHBondContact CD2-CD2 3.44Å; L34-H37 WeakPolarHBondContact CD2-NE2 3.32Å; L34-H37 PolarHBondContact O-N 2.93Å; H37-N39 VanDerWaalsContact C-N 3.29Å; H37-N39 PolarHBondContact O-N 3.34Å; H37-F40 PolarHBondContact O-N 2.93Å; H37-A41 PolarHBondContact O-N 3.25Å; H37-F87 HydrophobicContact CB-CD2 3.99Å; H37-F87 HydrophobicContact CB-CE2 4.43Å; H37-F87 WeakPolarHBondContact ND1-CB 3.36Å; H37-F87 AromaticContact ND1-CD2 3.44Å; H37-F87 WeakPolarHBondContact ND1-CD2 3.3Å; H37-F87 AromaticContact ND1-CG 3.84Å
38	E	61.1	Low	61.1	Low	86 Å²	86	83.8 Å²	83.8	40%	0.402	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-36	171.5	-67.7	-172	-172.8	0	0	112.3	L34 K42	L34-E38 PolarHBondContact O-N 3.3Å; E38-K42 WeakPolarHBondContact O-CB 3.47Å; E38-K42 WeakPolarHBondContact O-CD 3.36Å; E38-K42 VanDerWaalsContact O-CG 3.24Å; E38-K42 WeakPolarHBondContact O-CG 3.4Å; E38-K42 PolarHBondContact O-N 2.91Å; E38-K42 VanDerWaalsContact O-N 3.12Å; E38-K42 IonicContact OE2-NZ 3.81Å
39	N	71.2	Confident	62.6	Low	85 Å²	85	87.3 Å²	87.3	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-69.6	-39.2	177.5	-66	-30.3	0	0	0	111.1	Q35 E36 H37 K42 D43	Q35-N39 PolarHBondContact O-ND2 2.97Å; E36-N39 PolarHBondContact O-N 3.38Å; H37-N39 VanDerWaalsContact C-N 3.29Å; H37-N39 PolarHBondContact O-N 3.34Å; N39-K42 PolarHBondContact O-N 3.45Å; N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 VanDerWaalsContact O-CG 3.28Å; N39-D43 PolarHBondContact O-N 3.46Å
40	F	72.1	Confident	64.4	Low	27 Å²	27	87 Å²	87	12%	0.118	42%	0.423	C	S	.	.	H	α-helix	trans	-65.1	-42	176.3	-69	-54	0	0	0	112.9	E36 H37 D43 L44 L64 L84 F87	E36-F40 HydrophobicContact CB-CE2 4.46Å; E36-F40 WeakPolarHBondContact O-CD2 3.27Å; E36-F40 PolarHBondContact O-N 2.89Å; H37-F40 PolarHBondContact O-N 2.93Å; F40-D43 PolarHBondContact O-N 3.23Å; F40-L44 WeakPolarHBondContact O-CG 3.13Å; F40-L44 PolarHBondContact O-N 2.79Å; F40-L64 HydrophobicContact CB-CD2 4.33Å; F40-L64 HydrophobicContact CD1-CD1 3.68Å; F40-L64 HydrophobicContact CD1-CD2 3.7Å; F40-L64 HydrophobicContact CD1-CG 4.04Å; F40-L64 HydrophobicContact CE1-CD1 4.19Å; F40-L64 HydrophobicContact CE1-CD2 4.42Å; F40-L64 HydrophobicContact CE1-CG 4.46Å; F40-L64 HydrophobicContact CG-CD2 4.33Å; F40-L84 HydrophobicContact CE1-CD1 4.1Å; F40-L84 HydrophobicContact CZ-CB 4.33Å; F40-L84 HydrophobicContact CZ-CD1 4.37Å; F40-F87 HydrophobicContact CB-CD1 4.18Å; F40-F87 HydrophobicContact CB-CE1 3.99Å; F40-F87 HydrophobicContact CB-CE2 4.49Å; F40-F87 HydrophobicContact CB-CZ 4.15Å
41	A	76.6	Confident	65.7	Low	33 Å²	33	86.4 Å²	86.4	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-62.4	-44.2	175.4	0	0	0	0	0	111.9	H37 L44 E45	H37-A41 PolarHBondContact O-N 3.25Å; A41-L44 PolarHBondContact O-N 2.93Å; A41-E45 PolarHBondContact O-N 3.32Å
42	K	74.3	Confident	67.4	Low	101 Å²	101	91 Å²	91	44%	0.439	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176.3	-72.3	168.3	-172.8	162.6	0	112.6	E38 N39 E45 M46	E38-K42 WeakPolarHBondContact O-CB 3.47Å; E38-K42 WeakPolarHBondContact O-CD 3.36Å; E38-K42 VanDerWaalsContact O-CG 3.24Å; E38-K42 WeakPolarHBondContact O-CG 3.4Å; E38-K42 PolarHBondContact O-N 2.91Å; E38-K42 VanDerWaalsContact O-N 3.12Å; E38-K42 IonicContact OE2-NZ 3.81Å; N39-K42 PolarHBondContact O-N 3.45Å; K42-E45 PolarHBondContact O-N 2.84Å; K42-M46 HydrophobicContact CB-CE 4.48Å; K42-M46 PolarHBondContact O-N 3.47Å
43	D	77.3	Confident	68.2	Low	20 Å²	20	86.6 Å²	86.6	11%	0.107	41%	0.405	C	S	.	.	H	α-helix	trans	-65.6	-43.5	177.1	-80.2	-23.2	0	0	0	111.5	N39 F40 E45 M46 F47 L64 R67	N39-D43 WeakPolarHBondContact O-CB 3.46Å; N39-D43 VanDerWaalsContact O-CG 3.28Å; N39-D43 PolarHBondContact O-N 3.46Å; F40-D43 PolarHBondContact O-N 3.23Å; D43-E45 PolarHBondContact O-N 2.97Å; D43-M46 PolarHBondContact O-N 3.17Å; D43-F47 HydrophobicContact CB-CE2 4.29Å; D43-F47 WeakPolarHBondContact O-CD2 3.28Å; D43-F47 VanDerWaalsContact O-CG 3.29Å; D43-F47 WeakPolarHBondContact O-CG 3.29Å; D43-F47 PolarHBondContact O-N 3.42Å; D43-L64 HydrophobicContact CB-CD1 3.91Å; D43-R67 IonicContact OD1-CZ 3.57Å; D43-R67 IonicContact OD1-NH1 2.76Å; D43-R67 PolarHBondContact OD1-NH1 3.14Å; D43-R67 IonicContact OD1-NH2 3.58Å; D43-R67 IonicContact OD2-CZ 3.42Å; D43-R67 IonicContact OD2-NH1 3.13Å; D43-R67 PolarHBondContact OD2-NH1 3.19Å; D43-R67 VanDerWaalsContact OD2-NH1 3.13Å; D43-R67 IonicContact OD2-NH2 3.54Å
44	L	76.6	Confident	69.2	Low	2 Å²	2	83.2 Å²	83.2	1%	0.01	40%	0.401	C	S	.	.	H	α-helix	trans	-63.5	-40.6	175.1	-71.3	171.9	0	0	0	112.1	F40 A41 F47 A48 I56 D60 V61 L64 F87	F40-L44 WeakPolarHBondContact O-CG 3.13Å; F40-L44 PolarHBondContact O-N 2.79Å; A41-L44 PolarHBondContact O-N 2.93Å; L44-F47 PolarHBondContact O-N 3.48Å; L44-A48 PolarHBondContact O-N 3.39Å; L44-I56 HydrophobicContact CB-CD1 4Å; L44-I56 HydrophobicContact CB-CG1 4.36Å; L44-I56 HydrophobicContact CB-CG2 4.21Å; L44-I56 HydrophobicContact CD1-CG2 4.45Å; L44-I56 HydrophobicContact CD2-CG2 4.17Å; L44-D60 HydrophobicContact CD2-CB 4.09Å; L44-D60 WeakPolarHBondContact CD2-O 3.35Å; L44-V61 HydrophobicContact CD2-CG2 4.11Å; L44-L64 HydrophobicContact CD1-CD2 4.48Å; L44-L64 HydrophobicContact CD2-CB 4.26Å; L44-L64 HydrophobicContact CD2-CD2 4.23Å; L44-L64 HydrophobicContact CG-CD2 4.24Å; L44-F87 HydrophobicContact CD1-CE1 4.05Å; L44-F87 HydrophobicContact CD1-CZ 4.29Å
45	E	77.8	Confident	70.1	Confident	105 Å²	105	84.9 Å²	84.9	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-43.9	174.6	-169.8	-171.6	161.6	0	0	111.5	A41 K42 D43 F47 A48 R49	A41-E45 PolarHBondContact O-N 3.32Å; K42-E45 PolarHBondContact O-N 2.84Å; D43-E45 PolarHBondContact O-N 2.97Å; E45-F47 PolarHBondContact O-N 2.95Å; E45-A48 PolarHBondContact O-N 3.33Å; E45-R49 WeakPolarHBondContact O-CB 3.38Å; E45-R49 VanDerWaalsContact O-CG 3.28Å; E45-R49 WeakPolarHBondContact O-CG 3.47Å; E45-R49 PolarHBondContact O-N 3.44Å
46	M	77.5	Confident	71.1	Confident	107 Å²	107	80 Å²	80	53%	0.527	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175.5	-84.8	-172.9	-81.9	0	0	112.4	K42 D43 R49 H50	K42-M46 HydrophobicContact CB-CE 4.48Å; K42-M46 PolarHBondContact O-N 3.47Å; D43-M46 PolarHBondContact O-N 3.17Å; M46-R49 PolarHBondContact O-N 2.89Å; M46-H50 VanDerWaalsContact O-CB 3.29Å; M46-H50 WeakPolarHBondContact O-CB 3.26Å; M46-H50 PolarHBondContact O-N 3.1Å
47	F	73.8	Confident	71.8	Confident	43 Å²	43	79.3 Å²	79.3	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-44.1	177.4	-67.1	-40.3	0	0	0	112.6	D43 L44 E45 R49 H50 A51 D60 L63 L64	D43-F47 HydrophobicContact CB-CE2 4.29Å; D43-F47 WeakPolarHBondContact O-CD2 3.28Å; D43-F47 VanDerWaalsContact O-CG 3.29Å; D43-F47 WeakPolarHBondContact O-CG 3.29Å; D43-F47 PolarHBondContact O-N 3.42Å; L44-F47 PolarHBondContact O-N 3.48Å; E45-F47 PolarHBondContact O-N 2.95Å; F47-R49 VanDerWaalsContact C-N 3.35Å; F47-R49 PolarHBondContact O-N 3.1Å; F47-H50 PolarHBondContact O-N 2.9Å; F47-A51 PolarHBondContact O-N 2.93Å; F47-A51 VanDerWaalsContact O-N 3.15Å; F47-D60 HydrophobicContact CB-CB 3.93Å; F47-L63 HydrophobicContact CD2-CB 4.27Å; F47-L63 HydrophobicContact CE2-CB 4.25Å; F47-L63 HydrophobicContact CZ-CB 4.46Å; F47-L64 HydrophobicContact CE2-CB 4.25Å; F47-L64 HydrophobicContact CE2-CD1 4.24Å
48	A	72.5	Confident	72.3	Confident	3 Å²	3	81.6 Å²	81.6	3%	0.025	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-48.3	174.5	0	0	0	0	0	110.5	L44 E45 H50 A51 K52 R53	L44-A48 PolarHBondContact O-N 3.39Å; E45-A48 PolarHBondContact O-N 3.33Å; A48-H50 VanDerWaalsContact C-N 3.34Å; A48-H50 PolarHBondContact O-N 3.44Å; A48-A51 CarbonylContact O-C 3.56Å; A48-A51 WeakPolarHBondContact O-CA 3.07Å; A48-A51 PolarHBondContact O-N 3.28Å; A48-A51 VanDerWaalsContact O-N 3.1Å; A48-K52 PolarHBondContact O-N 3.26Å; A48-R53 CarbonylContact C-O 2.98Å; A48-R53 CarbonylContact O-C 3.46Å; A48-R53 WeakPolarHBondContact O-CA 3.49Å; A48-R53 PolarHBondContact O-N 2.91Å
49	R	69.6	Low	72.6	Confident	167 Å²	167	81.7 Å²	81.7	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-63.1	-37.4	179	-73.9	-178.7	66.4	-168	-1.9	113.1	E45 M46 F47 A51 K52 R53	E45-R49 WeakPolarHBondContact O-CB 3.38Å; E45-R49 VanDerWaalsContact O-CG 3.28Å; E45-R49 WeakPolarHBondContact O-CG 3.47Å; E45-R49 PolarHBondContact O-N 3.44Å; M46-R49 PolarHBondContact O-N 2.89Å; F47-R49 VanDerWaalsContact C-N 3.35Å; F47-R49 PolarHBondContact O-N 3.1Å; R49-A51 PolarHBondContact O-N 3.5Å; R49-K52 WeakPolarHBondContact O-CA 3.36Å; R49-K52 PolarHBondContact O-N 3.14Å; R49-R53 PolarHBondContact N-O 2.74Å
50	H	74.6	Confident	72.8	Confident	167 Å²	167	77.7 Å²	77.7	77%	0.773	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-36.5	175.6	-172.6	77.7	0	0	0	111.5	M46 F47 A48 K52	M46-H50 VanDerWaalsContact O-CB 3.29Å; M46-H50 WeakPolarHBondContact O-CB 3.26Å; M46-H50 PolarHBondContact O-N 3.1Å; F47-H50 PolarHBondContact O-N 2.9Å; A48-H50 VanDerWaalsContact C-N 3.34Å; A48-H50 PolarHBondContact O-N 3.44Å; H50-K52 PolarHBondContact O-N 3.31Å
51	A	69.4	Low	73	Confident	43 Å²	43	78.4 Å²	78.4	36%	0.355	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	11.4	173.3	0	0	0	0	0	113.9	F47 A48 R49 R53	F47-A51 PolarHBondContact O-N 2.93Å; F47-A51 VanDerWaalsContact O-N 3.15Å; A48-A51 CarbonylContact O-C 3.56Å; A48-A51 WeakPolarHBondContact O-CA 3.07Å; A48-A51 PolarHBondContact O-N 3.28Å; A48-A51 VanDerWaalsContact O-N 3.1Å; R49-A51 PolarHBondContact O-N 3.5Å; A51-R53 HydrophobicContact CB-CG 4.39Å; A51-R53 PolarHBondContact O-N 3.44Å
52	K	74.9	Confident	73.1	Confident	203 Å²	203	82.2 Å²	82.2	88%	0.883	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	24.5	-174.3	-53.9	177.8	-177.3	177.9	0	113.7	A48 R49 H50	A48-K52 PolarHBondContact O-N 3.26Å; R49-K52 WeakPolarHBondContact O-CA 3.36Å; R49-K52 PolarHBondContact O-N 3.14Å; H50-K52 PolarHBondContact O-N 3.31Å
53	R	68.2	Low	73.2	Confident	82 Å²	82	80.8 Å²	80.8	31%	0.309	40%	0.401	S	S	.	.			trans	-104.5	146.2	177.6	-66.9	-178.1	-84	110.7	-2.3	109.5	A48 R49 A51 D60	A48-R53 CarbonylContact C-O 2.98Å; A48-R53 CarbonylContact O-C 3.46Å; A48-R53 WeakPolarHBondContact O-CA 3.49Å; A48-R53 PolarHBondContact O-N 2.91Å; R49-R53 PolarHBondContact N-O 2.74Å; A51-R53 HydrophobicContact CB-CG 4.39Å; A51-R53 PolarHBondContact O-N 3.44Å; R53-D60 IonicContact CZ-OD1 3.65Å; R53-D60 IonicContact CZ-OD2 3.8Å; R53-D60 IonicContact NH1-OD1 3.35Å; R53-D60 PolarHBondContact NH1-OD1 3.47Å; R53-D60 IonicContact NH1-OD2 2.8Å; R53-D60 PolarHBondContact NH1-OD2 3.3Å; R53-D60 IonicContact NH2-OD1 3.02Å; R53-D60 PolarHBondContact NH2-OD1 3.03Å; R53-D60 IonicContact NH2-OD2 3.89Å
54	T	67.4	Low	73	Confident	125 Å²	125	80 Å²	80	77%	0.767	40%	0.396	S	S	*	.	S	Bend	trans	-103.1	-7.1	171.2	52.1	0	0	0	0	112.3
55	T	68.8	Low	72.8	Confident	107 Å²	107	81.6 Å²	81.6	66%	0.656	41%	0.41	S	S	*	.	S	Bend	trans	-106.4	127.2	177.1	-48.8	0	0	0	0	109.8
56	I	74.4	Confident	72.4	Confident	57 Å²	57	85.2 Å²	85.2	29%	0.292	42%	0.419	S	S	.	.			trans	-69.7	127.8	176.7	-58.8	167.5	0	0	0	108.8	L44 D60 W91	L44-I56 HydrophobicContact CB-CD1 4Å; L44-I56 HydrophobicContact CB-CG1 4.36Å; L44-I56 HydrophobicContact CB-CG2 4.21Å; L44-I56 HydrophobicContact CD1-CG2 4.45Å; L44-I56 HydrophobicContact CD2-CG2 4.17Å; I56-D60 HydrophobicContact CG2-CB 4.25Å; I56-W91 HydrophobicContact CD1-CH2 4.33Å; I56-W91 HydrophobicContact CD1-CZ2 4.25Å
57	N	70.1	Confident	71.8	Confident	76 Å²	76	85.8 Å²	85.8	41%	0.406	42%	0.416	S	S	.	.			trans	-111.2	166.5	178.4	-168.5	11.6	0	0	0	111.2	E59 D60 V61	N57-E59 PolarHBondContact O-N 3.29Å; N57-D60 PolarHBondContact N-OD2 2.92Å; N57-D60 WeakPolarHBondContact O-CB 3.45Å; N57-D60 PolarHBondContact O-N 3.06Å; N57-V61 PolarHBondContact O-N 3.15Å
58	T	71.1	Confident	71.3	Confident	75 Å²	75	85.2 Å²	85.2	46%	0.46	42%	0.417	S	S	.	.	H	α-helix	trans	-55.5	-31.9	173.2	57.8	0	0	0	0	113.1	D60 V61 K62	T58-D60 VanDerWaalsContact C-N 3.3Å; T58-D60 PolarHBondContact O-N 2.99Å; T58-V61 PolarHBondContact O-N 2.89Å; T58-K62 WeakPolarHBondContact O-CG 3.45Å; T58-K62 PolarHBondContact O-N 3.41Å
59	E	67.4	Low	70.5	Confident	87 Å²	87	90 Å²	90	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-34.2	174.4	-61.1	-51.6	130.4	0	0	112.5	N57 V61 K62 L63	N57-E59 PolarHBondContact O-N 3.29Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-K62 PolarHBondContact O-N 3.29Å; E59-K62 IonicContact OE1-NZ 2.73Å; E59-K62 PolarHBondContact OE1-NZ 2.94Å; E59-K62 IonicContact OE2-NZ 3.82Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 VanDerWaalsContact O-CG 3.27Å; E59-L63 WeakPolarHBondContact O-CG 3.36Å; E59-L63 PolarHBondContact O-N 3.41Å
60	D	75.2	Confident	69.7	Low	1 Å²	1	87 Å²	87	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-71.6	-33.7	178.7	-49.5	-41.9	0	0	0	110.3	L44 F47 R53 I56 N57 T58 L63 L64	L44-D60 HydrophobicContact CD2-CB 4.09Å; L44-D60 WeakPolarHBondContact CD2-O 3.35Å; F47-D60 HydrophobicContact CB-CB 3.93Å; R53-D60 IonicContact CZ-OD1 3.65Å; R53-D60 IonicContact CZ-OD2 3.8Å; R53-D60 IonicContact NH1-OD1 3.35Å; R53-D60 PolarHBondContact NH1-OD1 3.47Å; R53-D60 IonicContact NH1-OD2 2.8Å; R53-D60 PolarHBondContact NH1-OD2 3.3Å; R53-D60 IonicContact NH2-OD1 3.02Å; R53-D60 PolarHBondContact NH2-OD1 3.03Å; R53-D60 IonicContact NH2-OD2 3.89Å; I56-D60 HydrophobicContact CG2-CB 4.25Å; N57-D60 PolarHBondContact N-OD2 2.92Å; N57-D60 WeakPolarHBondContact O-CB 3.45Å; N57-D60 PolarHBondContact O-N 3.06Å; T58-D60 VanDerWaalsContact C-N 3.3Å; T58-D60 PolarHBondContact O-N 2.99Å; D60-L63 PolarHBondContact O-N 3.43Å; D60-L64 PolarHBondContact O-N 3.32Å
61	V	76.1	Confident	68.5	Low	43 Å²	43	83.6 Å²	83.6	26%	0.261	43%	0.433	S	S	.	.	H	α-helix	trans	-69.7	-40.5	171.7	-179.6	0	0	0	0	111.7	L44 N57 T58 E59 L63 L64 A65 L88	L44-V61 HydrophobicContact CD2-CG2 4.11Å; N57-V61 PolarHBondContact O-N 3.15Å; T58-V61 PolarHBondContact O-N 2.89Å; E59-V61 VanDerWaalsContact C-N 3.34Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.13Å; V61-L64 WeakPolarHBondContact O-CB 3.38Å; V61-L64 PolarHBondContact O-N 2.76Å; V61-A65 PolarHBondContact O-N 2.86Å; V61-L88 HydrophobicContact CG1-CD1 4.42Å; V61-L88 HydrophobicContact CG1-CD2 3.87Å
62	K	77.8	Confident	67.2	Low	113 Å²	113	83.3 Å²	83.3	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-39.7	173.7	-71.5	172.5	-172.6	169.8	0	111.4	T58 E59 A65 R66	T58-K62 WeakPolarHBondContact O-CG 3.45Å; T58-K62 PolarHBondContact O-N 3.41Å; E59-K62 PolarHBondContact O-N 3.29Å; E59-K62 IonicContact OE1-NZ 2.73Å; E59-K62 PolarHBondContact OE1-NZ 2.94Å; E59-K62 IonicContact OE2-NZ 3.82Å; K62-A65 PolarHBondContact O-N 3.5Å; K62-R66 VanDerWaalsContact O-CG 3.32Å; K62-R66 WeakPolarHBondContact O-CG 3.33Å; K62-R66 PolarHBondContact O-N 2.88Å
63	L	75.9	Confident	65.5	Low	71 Å²	71	82.7 Å²	82.7	37%	0.372	43%	0.427	S	S	.	.	H	α-helix	trans	-64.3	-41	174.5	-74.8	171.3	0	0	0	111.7	F47 E59 D60 V61 R66 R67	F47-L63 HydrophobicContact CD2-CB 4.27Å; F47-L63 HydrophobicContact CE2-CB 4.25Å; F47-L63 HydrophobicContact CZ-CB 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.45Å; E59-L63 VanDerWaalsContact O-CG 3.27Å; E59-L63 WeakPolarHBondContact O-CG 3.36Å; E59-L63 PolarHBondContact O-N 3.41Å; D60-L63 PolarHBondContact O-N 3.43Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.13Å; L63-R66 PolarHBondContact O-N 3.01Å; L63-R67 PolarHBondContact O-N 2.86Å
64	L	75	Confident	64.2	Low	3 Å²	3	86 Å²	86	2%	0.016	45%	0.446	C	S	.	.	H	α-helix	trans	-60.6	-45.9	173.6	-172.7	70.2	0	0	0	111.5	F40 D43 L44 F47 D60 V61 R66 R67 S68 L84	F40-L64 HydrophobicContact CB-CD2 4.33Å; F40-L64 HydrophobicContact CD1-CD1 3.68Å; F40-L64 HydrophobicContact CD1-CD2 3.7Å; F40-L64 HydrophobicContact CD1-CG 4.04Å; F40-L64 HydrophobicContact CE1-CD1 4.19Å; F40-L64 HydrophobicContact CE1-CD2 4.42Å; F40-L64 HydrophobicContact CE1-CG 4.46Å; F40-L64 HydrophobicContact CG-CD2 4.33Å; D43-L64 HydrophobicContact CB-CD1 3.91Å; L44-L64 HydrophobicContact CD1-CD2 4.48Å; L44-L64 HydrophobicContact CD2-CB 4.26Å; L44-L64 HydrophobicContact CD2-CD2 4.23Å; L44-L64 HydrophobicContact CG-CD2 4.24Å; F47-L64 HydrophobicContact CE2-CB 4.25Å; F47-L64 HydrophobicContact CE2-CD1 4.24Å; D60-L64 PolarHBondContact O-N 3.32Å; V61-L64 WeakPolarHBondContact O-CB 3.38Å; V61-L64 PolarHBondContact O-N 2.76Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 3.15Å; L64-R67 PolarHBondContact O-N 3.15Å; L64-S68 WeakPolarHBondContact O-CB 3.21Å; L64-S68 PolarHBondContact O-N 2.86Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å; L64-L84 HydrophobicContact CD2-CD1 4.39Å; L64-L84 HydrophobicContact CG-CD1 4.4Å
65	A	70.4	Confident	62.9	Low	36 Å²	36	89.5 Å²	89.5	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-39.4	175.6	0	0	0	0	0	112.4	V61 K62 S68 N69	V61-A65 PolarHBondContact O-N 2.86Å; K62-A65 PolarHBondContact O-N 3.5Å; A65-S68 PolarHBondContact O-N 2.88Å; A65-N69 WeakPolarHBondContact O-CB 3.5Å; A65-N69 PolarHBondContact O-N 2.79Å; A65-N69 PolarHBondContact O-ND2 2.98Å; A65-N69 VanDerWaalsContact O-ND2 3.1Å
66	R	69.6	Low	61.7	Low	180 Å²	180	86.4 Å²	86.4	68%	0.679	44%	0.439	S	S	*	.	H	α-helix	trans	-65.2	-42.7	175.4	-73.3	174.4	72.6	177.6	3.6	112.5	K62 L63 L64 N69 S70	K62-R66 VanDerWaalsContact O-CG 3.32Å; K62-R66 WeakPolarHBondContact O-CG 3.33Å; K62-R66 PolarHBondContact O-N 2.88Å; L63-R66 PolarHBondContact O-N 3.01Å; L64-R66 VanDerWaalsContact C-N 3.33Å; L64-R66 PolarHBondContact O-N 3.15Å; R66-N69 PolarHBondContact O-N 2.85Å; R66-S70 WeakPolarHBondContact O-CB 3.06Å; R66-S70 PolarHBondContact O-N 2.92Å
67	R	66.4	Low	60.2	Low	120 Å²	120	86.3 Å²	86.3	45%	0.453	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-42.3	175.8	-178.2	174.2	168.2	-165.9	-12.4	111.1	D43 L63 L64 N69 S70 L71	D43-R67 IonicContact OD1-CZ 3.57Å; D43-R67 IonicContact OD1-NH1 2.76Å; D43-R67 PolarHBondContact OD1-NH1 3.14Å; D43-R67 IonicContact OD1-NH2 3.58Å; D43-R67 IonicContact OD2-CZ 3.42Å; D43-R67 IonicContact OD2-NH1 3.13Å; D43-R67 PolarHBondContact OD2-NH1 3.19Å; D43-R67 VanDerWaalsContact OD2-NH1 3.13Å; D43-R67 IonicContact OD2-NH2 3.54Å; L63-R67 PolarHBondContact O-N 2.86Å; L64-R67 PolarHBondContact O-N 3.15Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.43Å; R67-S70 PolarHBondContact O-N 2.94Å; R67-L71 PolarHBondContact O-N 3.42Å; R67-L71 VanDerWaalsContact O-N 3.14Å
68	S	62	Low	59.3	Low	30 Å²	30	85.2 Å²	85.2	21%	0.21	45%	0.454	C	S	.	.	H	α-helix	trans	-64	-36.7	175	-62.5	0	0	0	0	112.3	L64 A65 H72 L84	L64-S68 WeakPolarHBondContact O-CB 3.21Å; L64-S68 PolarHBondContact O-N 2.86Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å; A65-S68 PolarHBondContact O-N 2.88Å; S68-H72 WeakPolarHBondContact O-CB 3.23Å; S68-H72 PolarHBondContact O-CD2 3.45Å; S68-L84 WeakPolarHBondContact OG-CD1 3.26Å
69	N	55.3	Low	58.4	Low	103 Å²	103	87.6 Å²	87.6	55%	0.551	46%	0.462	S	S	*	.	H	α-helix	trans	-74	-29.3	175.3	-70.3	-27.2	0	0	0	113.8	A65 R66 R67 H72	A65-N69 WeakPolarHBondContact O-CB 3.5Å; A65-N69 PolarHBondContact O-N 2.79Å; A65-N69 PolarHBondContact O-ND2 2.98Å; A65-N69 VanDerWaalsContact O-ND2 3.1Å; R66-N69 PolarHBondContact O-N 2.85Å; R67-N69 VanDerWaalsContact C-N 3.33Å; R67-N69 PolarHBondContact O-N 3.43Å; N69-H72 WeakPolarHBondContact O-CB 3.35Å; N69-H72 PolarHBondContact O-N 3.36Å
70	S	52.7	Low	57.9	Low	104 Å²	104	87.3 Å²	87.3	73%	0.727	46%	0.457	S	S	*	.	H	α-helix	trans	-75.6	-27.8	175.8	-172.1	0	0	0	0	112.7	R66 R67 H72	R66-S70 WeakPolarHBondContact O-CB 3.06Å; R66-S70 PolarHBondContact O-N 2.92Å; R67-S70 PolarHBondContact O-N 2.94Å; S70-H72 PolarHBondContact O-N 3.36Å
71	L	49.8	Very low	57.2	Low	96 Å²	96	91.7 Å²	91.7	50%	0.503	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	13.2	175.2	-146.7	161.8	0	0	0	111.7	R67 R80	R67-L71 PolarHBondContact O-N 3.42Å; R67-L71 VanDerWaalsContact O-N 3.14Å; L71-R80 PolarHBondContact O-NH2 3.36Å
72	H	41.6	Very low	56.7	Low	38 Å²	38	92.5 Å²	92.5	18%	0.176	48%	0.484	C	S	.	.			trans	-113.2	21.6	-162	-122.2	-104.1	0	0	0	114.2	S68 N69 S70 Q74 K81	S68-H72 WeakPolarHBondContact O-CB 3.23Å; S68-H72 PolarHBondContact O-CD2 3.45Å; N69-H72 WeakPolarHBondContact O-CB 3.35Å; N69-H72 PolarHBondContact O-N 3.36Å; S70-H72 PolarHBondContact O-N 3.36Å; H72-Q74 VanDerWaalsContact C-N 3.32Å; H72-K81 WeakPolarHBondContact CE1-CE 3.48Å; H72-K81 PolarHBondContact CE1-NZ 3.41Å; H72-K81 WeakPolarHBondContact ND1-CE 3.47Å; H72-K81 PolarHBondContact ND1-NZ 3.16Å
73	M	39.2	Very low	56.2	Low	190 Å²	190	87.8 Å²	87.8	94%	0.936	47%	0.465	S	S	*	.	S	Bend	trans	-92	12.7	162.1	-68.6	-121.5	79	0	0	112.7
74	Q	40.8	Very low	56	Low	151 Å²	151	85.4 Å²	85.4	71%	0.706	45%	0.453	S	S	*	.	S	Bend	trans	-129	88.1	177.1	-149	174.5	41.3	0	0	110.4	H72 A76	H72-Q74 VanDerWaalsContact C-N 3.32Å; Q74-A76 PolarHBondContact O-N 3.15Å
75	E	41.3	Very low	55.9	Low	199 Å²	199	90.6 Å²	90.6	93%	0.93	48%	0.48	S	S	*	.	S	Bend	trans	45.6	34.4	136.4	-152.4	143.8	169.3	0	0	120.8
76	A	43.4	Very low	56.2	Low	41 Å²	41	92.9 Å²	92.9	34%	0.339	49%	0.49	S	S	.	.			trans	-148.3	38.7	171.6	0	0	0	0	0	112.6	Q74 G78 I79	Q74-A76 PolarHBondContact O-N 3.15Å; A76-G78 PolarHBondContact O-N 2.91Å; A76-I79 PolarHBondContact O-N 3.23Å
77	A	43.8	Very low	56.4	Low	56 Å²	56	84.4 Å²	84.4	46%	0.463	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.7	-162.6	0	0	0	0	0	116.3	K81	A77-K81 WeakPolarHBondContact O-CD 3.33Å
78	G	49.9	Very low	56.8	Low	53 Å²	53	81.1 Å²	81.1	55%	0.546	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-49.4	174.1	0	0	0	0	0	113.5	A76 S82	A76-G78 PolarHBondContact O-N 2.91Å; G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.08Å; G78-S82 VanDerWaalsContact O-OG 3.05Å
79	I	52	Low	57.4	Low	124 Å²	124	82.7 Å²	82.7	64%	0.636	46%	0.464	S	S	*	.	H	α-helix	trans	-75.9	-38.6	-161.7	-56.4	170.1	0	0	0	112.2	A76 S82 S83	A76-I79 PolarHBondContact O-N 3.23Å; I79-S82 WeakPolarHBondContact CA-OG 3.18Å; I79-S82 PolarHBondContact O-OG 3.27Å; I79-S83 VanDerWaalsContact O-CB 3.3Å; I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 2.9Å
80	R	57.7	Low	58.5	Low	81 Å²	81	81.8 Å²	81.8	31%	0.306	45%	0.453	S	S	.	.	H	α-helix	trans	-79.7	-32.6	-179.5	-62.9	-172	-58.3	-164.7	5.3	113	L71 S83 L84	L71-R80 PolarHBondContact O-NH2 3.36Å; R80-S83 PolarHBondContact O-N 3.36Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 PolarHBondContact O-N 2.87Å
81	K	61	Low	59.5	Low	93 Å²	93	80 Å²	80	40%	0.404	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-41.7	173.4	-71	-174.9	176.1	144.4	0	110.8	H72 A77 S83 L84 L85	H72-K81 WeakPolarHBondContact CE1-CE 3.48Å; H72-K81 PolarHBondContact CE1-NZ 3.41Å; H72-K81 WeakPolarHBondContact ND1-CE 3.47Å; H72-K81 PolarHBondContact ND1-NZ 3.16Å; A77-K81 WeakPolarHBondContact O-CD 3.33Å; K81-S83 VanDerWaalsContact C-N 3.34Å; K81-L84 PolarHBondContact O-N 2.85Å; K81-L85 WeakPolarHBondContact O-CB 3.44Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.99Å
82	S	64.5	Low	60.2	Low	61 Å²	61	82.2 Å²	82.2	43%	0.427	44%	0.436	S	S	.	.	H	α-helix	trans	-64.2	-39.6	173.5	63.2	0	0	0	0	111.7	G78 I79 L85 T86	G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.08Å; G78-S82 VanDerWaalsContact O-OG 3.05Å; I79-S82 WeakPolarHBondContact CA-OG 3.18Å; I79-S82 PolarHBondContact O-OG 3.27Å; S82-L85 PolarHBondContact O-N 3.37Å; S82-T86 VanDerWaalsContact O-CB 3.23Å; S82-T86 WeakPolarHBondContact O-CB 3.46Å; S82-T86 PolarHBondContact O-N 3.12Å; S82-T86 PolarHBondContact O-OG1 3.39Å
83	S	67.9	Low	61.4	Low	14 Å²	14	86.1 Å²	86.1	10%	0.098	46%	0.455	C	S	.	.	H	α-helix	trans	-60.6	-47.6	173.9	178.8	0	0	0	0	112.5	E36 I79 R80 K81 T86 F87	E36-S83 WeakPolarHBondContact OE2-CB 3.08Å; E36-S83 PolarHBondContact OE2-OG 3.32Å; I79-S83 VanDerWaalsContact O-CB 3.3Å; I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 2.9Å; R80-S83 PolarHBondContact O-N 3.36Å; K81-S83 VanDerWaalsContact C-N 3.34Å; S83-T86 PolarHBondContact O-N 3.26Å; S83-F87 WeakPolarHBondContact O-CB 3.24Å; S83-F87 PolarHBondContact O-N 3.47Å
84	L	71.9	Confident	62.4	Low	21 Å²	21	83.3 Å²	83.3	11%	0.11	43%	0.434	C	S	.	.	H	α-helix	trans	-66.3	-42	177.1	-178.4	145.7	0	0	0	112.6	F40 L64 S68 R80 K81 T86 F87 L88	F40-L84 HydrophobicContact CE1-CD1 4.1Å; F40-L84 HydrophobicContact CZ-CB 4.33Å; F40-L84 HydrophobicContact CZ-CD1 4.37Å; L64-L84 HydrophobicContact CD2-CD1 4.39Å; L64-L84 HydrophobicContact CG-CD1 4.4Å; S68-L84 WeakPolarHBondContact OG-CD1 3.26Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 PolarHBondContact O-N 2.87Å; K81-L84 PolarHBondContact O-N 2.85Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-F87 WeakPolarHBondContact O-CB 3.44Å; L84-F87 PolarHBondContact O-N 2.92Å; L84-L88 HydrophobicContact CD2-CD1 3.55Å; L84-L88 HydrophobicContact CD2-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 4.41Å; L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.06Å
85	L	72.7	Confident	62.9	Low	111 Å²	111	78.9 Å²	78.9	58%	0.581	42%	0.417	S	S	*	.	H	α-helix	trans	-65.3	-39.5	176	-70.9	172.3	0	0	0	111.4	K81 S82 L88 A89	K81-L85 WeakPolarHBondContact O-CB 3.44Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.99Å; S82-L85 PolarHBondContact O-N 3.37Å; L85-L88 PolarHBondContact O-N 2.67Å; L85-A89 VanDerWaalsContact O-CB 3.26Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.31Å
86	T	75.9	Confident	63.6	Low	84 Å²	84	71.7 Å²	71.7	52%	0.515	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-43	174.1	-58	0	0	0	0	110.8	S82 S83 L84 W90	S82-T86 VanDerWaalsContact O-CB 3.23Å; S82-T86 WeakPolarHBondContact O-CB 3.46Å; S82-T86 PolarHBondContact O-N 3.12Å; S82-T86 PolarHBondContact O-OG1 3.39Å; S83-T86 PolarHBondContact O-N 3.26Å; L84-T86 VanDerWaalsContact C-N 3.33Å; T86-W90 WeakPolarHBondContact O-CB 3.47Å; T86-W90 PolarHBondContact O-N 3.12Å
87	F	74.8	Confident	63.8	Low	3 Å²	3	76 Å²	76	1%	0.013	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-48.2	174	173.9	-105.8	0	0	0	112.1	H37 F40 L44 S83 L84 W90 W91	H37-F87 HydrophobicContact CB-CD2 3.99Å; H37-F87 HydrophobicContact CB-CE2 4.43Å; H37-F87 WeakPolarHBondContact ND1-CB 3.36Å; H37-F87 AromaticContact ND1-CD2 3.44Å; H37-F87 WeakPolarHBondContact ND1-CD2 3.3Å; H37-F87 AromaticContact ND1-CG 3.84Å; F40-F87 HydrophobicContact CB-CD1 4.18Å; F40-F87 HydrophobicContact CB-CE1 3.99Å; F40-F87 HydrophobicContact CB-CE2 4.49Å; F40-F87 HydrophobicContact CB-CZ 4.15Å; L44-F87 HydrophobicContact CD1-CE1 4.05Å; L44-F87 HydrophobicContact CD1-CZ 4.29Å; S83-F87 WeakPolarHBondContact O-CB 3.24Å; S83-F87 PolarHBondContact O-N 3.47Å; L84-F87 WeakPolarHBondContact O-CB 3.44Å; L84-F87 PolarHBondContact O-N 2.92Å; F87-W90 HydrophobicContact CD2-CE3 4.01Å; F87-W90 HydrophobicContact CD2-CZ3 4.26Å; F87-W90 HydrophobicContact CE2-CE3 4.17Å; F87-W90 AromaticContact CE2-CZ3 3.96Å; F87-W90 HydrophobicContact CE2-CZ3 3.96Å; F87-W90 PolarHBondContact O-N 3.4Å; F87-W91 HydrophobicContact CE2-CE3 4.2Å; F87-W91 HydrophobicContact CZ-CD2 4.41Å; F87-W91 AromaticContact CZ-CE3 3.93Å; F87-W91 HydrophobicContact CZ-CE3 3.93Å; F87-W91 WeakPolarHBondContact O-CB 3.34Å; F87-W91 PolarHBondContact O-N 3.28Å
88	L	74.6	Confident	63.6	Low	50 Å²	50	77.5 Å²	77.5	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-39.7	-179.4	-70.6	179.6	0	0	0	112.1	V61 L84 L85 W91 F92	V61-L88 HydrophobicContact CG1-CD1 4.42Å; V61-L88 HydrophobicContact CG1-CD2 3.87Å; L84-L88 HydrophobicContact CD2-CD1 3.55Å; L84-L88 HydrophobicContact CD2-CG 4.16Å; L84-L88 HydrophobicContact CG-CD1 4.41Å; L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.06Å; L85-L88 PolarHBondContact O-N 2.67Å; L88-W91 PolarHBondContact O-N 3.12Å; L88-F92 VanDerWaalsContact O-CB 3.23Å; L88-F92 WeakPolarHBondContact O-CB 3.23Å; L88-F92 PolarHBondContact O-N 3.14Å
89	A	73.7	Confident	63.2	Low	63 Å²	63	79.8 Å²	79.8	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-47.3	175.1	0	0	0	0	0	110.9	L85 W91 F92 E93	L85-A89 VanDerWaalsContact O-CB 3.26Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 3.31Å; A89-W91 PolarHBondContact O-N 2.99Å; A89-F92 PolarHBondContact O-N 3.01Å; A89-E93 WeakPolarHBondContact O-CB 3.13Å; A89-E93 PolarHBondContact O-N 3.02Å
90	W	79.8	Confident	62.4	Low	84 Å²	84	77.3 Å²	77.3	32%	0.318	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-43.7	175.7	170.9	74.8	0	0	0	112.3	F28 T86 F87 E93 W94	F28-W90 HydrophobicContact CD2-CH2 4.23Å; F28-W90 HydrophobicContact CD2-CZ2 4.47Å; F28-W90 AromaticContact CE1-CH2 3.86Å; F28-W90 HydrophobicContact CE1-CH2 3.86Å; F28-W90 HydrophobicContact CE1-CZ2 4.05Å; F28-W90 AromaticContact CE2-CH2 3.3Å; F28-W90 HydrophobicContact CE2-CH2 3.3Å; F28-W90 AromaticContact CE2-CZ2 3.23Å; F28-W90 HydrophobicContact CE2-CZ2 3.23Å; F28-W90 AromaticContact CZ-CE2 3.96Å; F28-W90 AromaticContact CZ-CH2 3.1Å; F28-W90 HydrophobicContact CZ-CH2 3.1Å; F28-W90 AromaticContact CZ-CZ2 2.97Å; F28-W90 HydrophobicContact CZ-CZ2 2.97Å; F28-W90 HydrophobicContact CZ-CZ3 4.22Å; T86-W90 WeakPolarHBondContact O-CB 3.47Å; T86-W90 PolarHBondContact O-N 3.12Å; F87-W90 HydrophobicContact CD2-CE3 4.01Å; F87-W90 HydrophobicContact CD2-CZ3 4.26Å; F87-W90 HydrophobicContact CE2-CE3 4.17Å; F87-W90 AromaticContact CE2-CZ3 3.96Å; F87-W90 HydrophobicContact CE2-CZ3 3.96Å; F87-W90 PolarHBondContact O-N 3.4Å; W90-E93 PolarHBondContact O-N 3.41Å; W90-W94 HydrophobicContact CZ2-CB 4.31Å; W90-W94 HydrophobicContact CZ2-CD2 4.45Å; W90-W94 HydrophobicContact CZ2-CE3 4.45Å; W90-W94 HydrophobicContact CZ2-CG 4.39Å; W90-W94 WeakPolarHBondContact O-CB 3.18Å; W90-W94 PolarHBondContact O-N 2.92Å
91	W	72.6	Confident	61.7	Low	68 Å²	68	75.9 Å²	75.9	26%	0.258	43%	0.431	S	S	.	.	H	α-helix	trans	-63.3	-44.1	177.2	-177.3	-88.9	0	0	0	111.5	I56 F87 L88 A89 W94 T95	I56-W91 HydrophobicContact CD1-CH2 4.33Å; I56-W91 HydrophobicContact CD1-CZ2 4.25Å; F87-W91 HydrophobicContact CE2-CE3 4.2Å; F87-W91 HydrophobicContact CZ-CD2 4.41Å; F87-W91 AromaticContact CZ-CE3 3.93Å; F87-W91 HydrophobicContact CZ-CE3 3.93Å; F87-W91 WeakPolarHBondContact O-CB 3.34Å; F87-W91 PolarHBondContact O-N 3.28Å; L88-W91 PolarHBondContact O-N 3.12Å; A89-W91 PolarHBondContact O-N 2.99Å; W91-W94 PolarHBondContact O-N 3.36Å; W91-T95 WeakPolarHBondContact O-CG2 3.44Å; W91-T95 PolarHBondContact O-N 2.94Å; W91-T95 PolarHBondContact O-OG1 3.5Å
92	F	65.3	Low	60.7	Low	142 Å²	142	77.3 Å²	77.3	62%	0.623	45%	0.45	S	S	*	.	H	α-helix	trans	-63	-43.8	178	-171.5	-99	0	0	0	111.5	L88 A89 T95 S96	L88-F92 VanDerWaalsContact O-CB 3.23Å; L88-F92 WeakPolarHBondContact O-CB 3.23Å; L88-F92 PolarHBondContact O-N 3.14Å; A89-F92 PolarHBondContact O-N 3.01Å; F92-T95 PolarHBondContact O-N 2.86Å; F92-T95 PolarHBondContact O-OG1 3.05Å; F92-S96 WeakPolarHBondContact O-CB 3.17Å; F92-S96 PolarHBondContact O-N 2.99Å; F92-S96 PolarHBondContact O-OG 2.85Å
93	E	66.6	Low	59.5	Low	119 Å²	119	82.8 Å²	82.8	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-60.5	-46.9	174.7	-170.4	62.3	-149.2	0	0	111.6	A89 W90 T95 S96 Q97	A89-E93 WeakPolarHBondContact O-CB 3.13Å; A89-E93 PolarHBondContact O-N 3.02Å; W90-E93 PolarHBondContact O-N 3.41Å; E93-T95 PolarHBondContact O-N 3.36Å; E93-S96 WeakPolarHBondContact O-CB 3.28Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-Q97 PolarHBondContact O-N 3.48Å
94	W	59.6	Low	58.4	Low	131 Å²	131	90.1 Å²	90.1	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-59.8	-47.7	176.6	175.1	-91.7	0	0	0	112.5	W90 W91 S96 Q97 A98	W90-W94 HydrophobicContact CZ2-CB 4.31Å; W90-W94 HydrophobicContact CZ2-CD2 4.45Å; W90-W94 HydrophobicContact CZ2-CE3 4.45Å; W90-W94 HydrophobicContact CZ2-CG 4.39Å; W90-W94 WeakPolarHBondContact O-CB 3.18Å; W90-W94 PolarHBondContact O-N 2.92Å; W91-W94 PolarHBondContact O-N 3.36Å; W94-S96 PolarHBondContact O-N 2.91Å; W94-Q97 PolarHBondContact O-N 2.78Å; W94-A98 PolarHBondContact O-N 2.65Å; W94-A98 VanDerWaalsContact O-N 3.08Å
95	T	51.4	Low	57	Low	59 Å²	59	92.2 Å²	92.2	36%	0.362	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-27.7	177	58.4	0	0	0	0	112.8	W91 F92 E93 S99	W91-T95 WeakPolarHBondContact O-CG2 3.44Å; W91-T95 PolarHBondContact O-N 2.94Å; W91-T95 PolarHBondContact O-OG1 3.5Å; F92-T95 PolarHBondContact O-N 2.86Å; F92-T95 PolarHBondContact O-OG1 3.05Å; E93-T95 PolarHBondContact O-N 3.36Å; T95-S99 PolarHBondContact O-N 2.85Å
96	S	57	Low	55.1	Low	48 Å²	48	96.4 Å²	96.4	34%	0.336	55%	0.553	S	S	.	*	H	α-helix	trans	-73.9	-36.1	174.7	-62.2	0	0	0	0	111.6	F92 E93 W94 S99 A100	F92-S96 WeakPolarHBondContact O-CB 3.17Å; F92-S96 PolarHBondContact O-N 2.99Å; F92-S96 PolarHBondContact O-OG 2.85Å; E93-S96 WeakPolarHBondContact O-CB 3.28Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 VanDerWaalsContact O-N 3.16Å; W94-S96 PolarHBondContact O-N 2.91Å; S96-S99 WeakPolarHBondContact O-CB 3.03Å; S96-S99 PolarHBondContact O-N 3.43Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-A100 PolarHBondContact O-N 2.96Å; S96-A100 VanDerWaalsContact O-N 3.15Å
97	Q	46.3	Very low	53.2	Low	131 Å²	131	101.9 Å²	101.9	61%	0.612	57%	0.573	S	S	*	*	H	α-helix	trans	-71.6	-35.5	177.4	-153.9	170.5	99.5	0	0	112.4	E93 W94 S99 A100	E93-Q97 PolarHBondContact O-N 3.48Å; W94-Q97 PolarHBondContact O-N 2.78Å; Q97-S99 PolarHBondContact O-N 2.68Å; Q97-A100 PolarHBondContact O-N 3.47Å; Q97-A100 VanDerWaalsContact O-N 3.14Å
98	A	40	Very low	51.2	Low	87 Å²	87	106.1 Å²	106.1	72%	0.719	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-17.5	170	0	0	0	0	0	113.5	W94	W94-A98 PolarHBondContact O-N 2.65Å; W94-A98 VanDerWaalsContact O-N 3.08Å
99	S	41.1	Very low	49.4	Very low	101 Å²	101	114.9 Å²	114.9	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-14.2	173.6	176.6	0	0	0	0	113.3	T95 S96 Q97 G101	T95-S99 PolarHBondContact O-N 2.85Å; S96-S99 WeakPolarHBondContact O-CB 3.03Å; S96-S99 PolarHBondContact O-N 3.43Å; S96-S99 VanDerWaalsContact O-N 3.15Å; Q97-S99 PolarHBondContact O-N 2.68Å; S99-G101 PolarHBondContact O-N 3.37Å
100	A	35.5	Very low	47.4	Very low	73 Å²	73	120.1 Å²	120.1	60%	0.603	65%	0.652	S	S	*	*			trans	-89.9	73.8	178.6	0	0	0	0	0	109.9	S96 Q97	S96-A100 PolarHBondContact O-N 2.96Å; S96-A100 VanDerWaalsContact O-N 3.15Å; Q97-A100 PolarHBondContact O-N 3.47Å; Q97-A100 VanDerWaalsContact O-N 3.14Å
101	G	43.3	Very low	45	Very low	51 Å²	51	122.1 Å²	122.1	53%	0.526	67%	0.673	S	S	.	*			trans	-60.5	143.7	163.1	0	0	0	0	0	110.1	S99 L103	S99-G101 PolarHBondContact O-N 3.37Å; G101-L103 PolarHBondContact O-N 3.05Å
102	P	39.3	Very low	43	Very low	123 Å²	123	122.9 Å²	122.9	80%	0.799	69%	0.694	S	S	*	*			trans	-62.5	108.6	179.8	-15.7	27.8	0	0	0	110.1	I104	P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 2.95Å; P102-I104 VanDerWaalsContact O-N 3.12Å
103	L	40.1	Very low	41.7	Very low	176 Å²	176	125.4 Å²	125.4	92%	0.921	70%	0.699	S	S	*	*			trans	-81.9	83.2	164.9	-66.8	-179.4	0	0	0	107.7	G101	G101-L103 PolarHBondContact O-N 3.05Å
104	I	46	Very low	40.5	Very low	167 Å²	167	128.9 Å²	128.9	86%	0.856	71%	0.707	S	S	*	*			trans	-70.2	119.3	154.4	-65.8	-169.8	0	0	0	106.3	P102	P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 2.95Å; P102-I104 VanDerWaalsContact O-N 3.12Å
105	G	42.1	Very low	39.1	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	73%	0.726	S	S	*	*			trans	176.9	51.2	178.3	0	0	0	0	0	115.9
106	E	32	Very low	38.3	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	75%	0.752	S	S	*	*			trans	-161.2	79.9	147.2	-126.4	-173.8	130.6	0	0	111.1
107	E	35.9	Very low	36.9	Very low	199 Å²	199	139.5 Å²	139.5	93%	0.93	77%	0.773	S	S	*	*			trans	-110.3	107.8	153.8	-176.3	163.2	124.3	0	0	107.6
108	A	33.1	Very low	36.3	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	78%	0.784	S	S	*	*			trans	-150.9	85.6	163.8	0	0	0	0	0	110.1
109	R	37.1	Very low	36.6	Very low	233 Å²	233	139.5 Å²	139.5	88%	0.879	79%	0.786	S	S	*	*				-159.6	101.8	126.3	63.4	-176.7	-166.9	-115.4	0.7	108.8
110	E	31.5	Very low	36.3	Very low	173 Å²	173	140.6 Å²	140.6	81%	0.808	79%	0.79	S	S	*	*				81	107.2	94.1	-137.9	-100.6	124.6	0	0	110.7
111	V	28.3	Very low	36.6	Very low	126 Å²	126	144.2 Å²	144.2	76%	0.764	80%	0.795	S	S	*	*				174.5	135.4	118.6	164.7	0	0	0	0	109.4
112	A	30.6	Very low	36.3	Very low	84 Å²	84	151.3 Å²	151.3	69%	0.694	81%	0.814	S	S	*	*			trans	100.9	102.2	156	0	0	0	0	0	120.3
113	R	38.9	Very low	36.2	Very low	196 Å²	196	150 Å²	150	74%	0.74	81%	0.808	S	S	*	*				97.4	96.8	129.8	-72.9	-79	178	131.7	-3.6	119
114	R	41.2	Very low	36.4	Very low	192 Å²	192	146.1 Å²	146.1	73%	0.725	80%	0.801	S	S	*	*				50.4	123.8	124.8	-64.5	-174.8	175.4	142.1	3.3	118.5
115	Q	31.4	Very low	36	Very low	190 Å²	190	150.2 Å²	150.2	89%	0.888	81%	0.806	S	S	*	*				-177.7	153.2	98.2	-83.3	-89.4	51.4	0	0	110.2
116	E	33.9	Very low	36.1	Very low	195 Å²	195	157.7 Å²	157.7	91%	0.911	81%	0.814	S	S	*	*			trans	-88.1	151	-165.1	-167.9	147.6	126.1	0	0	114.1
117	G	26.9	Very low	36.5	Very low	75 Å²	75	155.8 Å²	155.8	77%	0.773	81%	0.81	S	S	*	*			trans	160	110.4	167.2	0	0	0	0	0	114.4
118	A	33.6	Very low	36.8	Very low	102 Å²	102	156.9 Å²	156.9	84%	0.843	81%	0.805	S	S	*	*			trans	-90.8	179.5	-179.7	0	0	0	0	0	113
119	P	46.4	Very low	36.9	Very low	117 Å²	117	159.5 Å²	159.5	76%	0.76	80%	0.804	S	S	*	*				-108.9	173	-107.6	36	-18.9	0	0	0	114.9
120	P	35	Very low	37.2	Very low	123 Å²	123	153.8 Å²	153.8	80%	0.799	80%	0.797	S	S	*	*				-142.3	137	109.2	34.2	-18.4	0	0	0	115.6
121	Q	41.6	Very low	37.6	Very low	149 Å²	149	151 Å²	151	70%	0.696	80%	0.795	S	S	*	*			trans	31.6	100.6	137.9	-74.7	-77.1	-2.2	0	0	119.1	S123	Q121-S123 PolarHBondContact OE1-OG 2.82Å
122	Q	36.7	Very low	38.3	Very low	200 Å²	200	155.8 Å²	155.8	94%	0.935	80%	0.799	S	S	*	*				-141.6	84.4	126.6	-72.9	-161.2	-56	0	0	109.4
123	S	38	Very low	39	Very low	95 Å²	95	155.7 Å²	155.7	66%	0.664	79%	0.787	S	S	*	*			trans	-67.8	138.3	172.1	43.9	0	0	0	0	111.3	Q121	Q121-S123 PolarHBondContact OE1-OG 2.82Å
124	A	43.3	Very low	39.1	Very low	95 Å²	95	155.8 Å²	155.8	79%	0.785	79%	0.793	S	S	*	*			trans	69.9	54.1	162.2	0	0	0	0	0	119.3	R126	A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 2.74Å
125	R	39.3	Very low	39	Very low	254 Å²	254	154.7 Å²	154.7	96%	0.958	79%	0.794	S	S	*	*			trans	-74.8	92.3	149.4	-82.7	-93.2	-172.3	156.4	2.7	107.9	D127	R125-D127 PolarHBondContact O-N 3.34Å
126	R	43.7	Very low	39.1	Very low	222 Å²	222	154.5 Å²	154.5	84%	0.838	79%	0.785	S	S	*	*			trans	-22	112.9	173.4	-69.6	176.3	172.1	148.3	-1.5	112.3	A124 R128	A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 2.74Å; R126-R128 PolarHBondContact O-N 3.21Å
127	D	39.8	Very low	39.1	Very low	159 Å²	159	154.2 Å²	154.2	85%	0.85	78%	0.781	S	S	*	*			trans	-54.1	93.7	153.6	179.9	25.9	0	0	0	107.3	R125	R125-D127 PolarHBondContact O-N 3.34Å
128	R	41.9	Very low	39.8	Very low	221 Å²	221	156.1 Å²	156.1	83%	0.834	78%	0.778	S	S	*	*			trans	-115.2	85.6	170	-159	177.9	-117.9	-144.3	1.8	105.2	R126	R126-R128 PolarHBondContact O-N 3.21Å
129	M	36.8	Very low	39.8	Very low	149 Å²	149	160.9 Å²	160.9	73%	0.734	78%	0.78	S	S	*	*			trans	-32.1	133.5	166.5	-163.5	-175.8	-155.3	0	0	110.8	C131	M129-C131 PolarHBondContact O-N 3.18Å; M129-C131 VanDerWaalsContact O-N 3.13Å
130	P	42.1	Very low	39.3	Very low	113 Å²	113	160.3 Å²	160.3	73%	0.734	78%	0.778	S	S	*	*			trans	-55.2	123.7	179.9	-19.9	30.2	0	0	0	108.7	R132	P130-R132 PolarHBondContact O-N 2.95Å
131	C	40.5	Very low	39.2	Very low	113 Å²	113	159.7 Å²	159.7	76%	0.764	78%	0.777	S	S	*	*			trans	-62.6	96.4	-172.2	56.3	0	0	0	0	110.8	M129 N133	M129-C131 PolarHBondContact O-N 3.18Å; M129-C131 VanDerWaalsContact O-N 3.13Å; C131-N133 PolarHBondContact O-N 3.07Å
132	R	42.8	Very low	38.6	Very low	228 Å²	228	158.6 Å²	158.6	86%	0.86	78%	0.784	S	S	*	*			trans	-70.6	16.3	-178.4	-155	173.7	175.5	-166.1	-1.4	114.4	P130	P130-R132 PolarHBondContact O-N 2.95Å
133	N	44.3	Very low	38.4	Very low	81 Å²	81	162.2 Å²	162.2	43%	0.433	80%	0.797	S	S	.	*			trans	-153.1	71.1	-168.9	-78.3	-53.4	0	0	0	113.5	C131 F135 W136	C131-N133 PolarHBondContact O-N 3.07Å; N133-F135 PolarHBondContact O-N 3.38Å; N133-W136 HydrophobicContact CB-CB 4.35Å
134	F	41.7	Very low	38.5	Very low	199 Å²	199	165.6 Å²	165.6	87%	0.873	80%	0.804	S	S	*	*	S	Bend	trans	-69	-19.1	157.2	-147	-93	0	0	0	111
135	F	39	Very low	38.2	Very low	168 Å²	168	169.3 Å²	169.3	74%	0.737	81%	0.805	S	S	*	*	S	Bend	trans	-71.8	-24.5	179.5	-166.5	-109.4	0	0	0	114.5	N133	N133-F135 PolarHBondContact O-N 3.38Å
136	W	34.4	Very low	38.1	Very low	187 Å²	187	164.6 Å²	164.6	71%	0.708	80%	0.796	S	S	*	*	S	Bend	trans	-121.7	5.8	-168.3	-85.5	-0	0	0	0	116.8	N133	N133-W136 HydrophobicContact CB-CB 4.35Å
137	K	34.1	Very low	37.8	Very low	188 Å²	188	161.2 Å²	161.2	82%	0.817	79%	0.794	S	S	*	*	S	Bend	trans	-105.7	11	-176.3	-101.1	179.1	175	173	0	116.9
138	T	40.6	Very low	37.7	Very low	115 Å²	115	161.3 Å²	161.3	71%	0.706	79%	0.79	S	S	*	*	S	Bend	trans	-124.8	18.4	173.5	47.8	0	0	0	0	114.3
139	F	33.4	Very low	37.4	Very low	202 Å²	202	157.3 Å²	157.3	89%	0.886	79%	0.787	S	S	*	*	S	Bend	trans	-126	11.6	174.6	-101.6	-82.6	0	0	0	115.9
140	S	37.2	Very low	37.5	Very low	105 Å²	105	157.9 Å²	157.9	73%	0.734	79%	0.791	S	S	*	*	S	Bend	trans	-126.9	11.9	179.5	-151.8	0	0	0	0	117.8
141	S	32.1	Very low	37.1	Very low	111 Å²	111	161.4 Å²	161.4	78%	0.776	80%	0.795	S	S	*	*			trans	-160.7	122.5	164.7	-63.6	0	0	0	0	106.1
142	C	30.1	Very low	36.8	Very low	125 Å²	125	165.4 Å²	165.4	85%	0.845	80%	0.798	S	S	*	*			cis	-139.9	149.1	40.5	-64	0	0	0	0	112.5
143	K	32.1	Very low	36.3	Very low	276 Å²	276	159.7 Å²	159.7	100%	1.2	79%	0.792	S	S	*	*			trans	-63.7	0	154.9	178.2	-176.3	174.3	69.9	0	110.4

Retrieved 143 of 143 residues in 97.2 ms (Link to these results)

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