A0A3Q0KTE9_SCHMA Loading...

SCP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KTE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 aa.

						>A0A3Q0KTE9_SCHMA|A0A3Q0KTE9
MSSNSDFSSVVLLLCLLVCCCVHAKLDDAMRNELLTLHNEARQAVRNGQLFGQPIAVSIKPLKWNVELERKAQILSDQCRVGHDTNADRQIPEFQYVGQNWAGATDIKT
					

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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	54.1	Low	67.1	Low	230 Å²	230	106.5 Å²	106.5	100%	1.133	62%	0.616	S	S	*	*				0	0	0	-72.3	155.7	82.9	0	0	113.6
2	S	58.6	Low	67.5	Low	89 Å²	89	106.9 Å²	106.9	62%	0.622	61%	0.614	S	S	*	*			trans	-79.8	-21.7	176.6	-62.2	0	0	0	0	116.4	N4 S5	S2-N4 VanDerWaalsContact C-N 3.26Å; S2-N4 PolarHBondContact O-N 2.66Å; S2-S5 PolarHBondContact O-N 3.42Å; S2-S5 PolarHBondContact O-OG 3.41Å
3	S	60.7	Low	67.9	Low	98 Å²	98	107.4 Å²	107.4	69%	0.685	61%	0.612	S	S	*	*	H	α-helix	trans	-68.2	-23.5	-174.9	-169	0	0	0	0	114.1
4	N	62.2	Low	68.1	Low	131 Å²	131	106.8 Å²	106.8	70%	0.701	61%	0.605	S	S	*	*	H	α-helix	trans	-83.9	-25.7	-176.8	-72	-14.5	0	0	0	112.8	S2 S8	S2-N4 VanDerWaalsContact C-N 3.26Å; S2-N4 PolarHBondContact O-N 2.66Å; N4-S8 WeakPolarHBondContact O-CB 3.37Å; N4-S8 PolarHBondContact O-N 3.48Å
5	S	64.1	Low	68	Low	63 Å²	63	104.7 Å²	104.7	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-71.2	-41.7	177.2	52.3	0	0	0	0	111.3	S2 S8 S9	S2-S5 PolarHBondContact O-N 3.42Å; S2-S5 PolarHBondContact O-OG 3.41Å; S5-S8 WeakPolarHBondContact O-CB 3.29Å; S5-S8 PolarHBondContact O-N 3.04Å; S5-S9 PolarHBondContact O-N 3.05Å; S5-S9 PolarHBondContact O-OG 2.73Å
6	D	66.3	Low	68	Low	109 Å²	109	105.2 Å²	105.2	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-69.7	-39.1	-177.6	-64.2	-11.6	0	0	0	111.4	S8 S9 V10	D6-S8 VanDerWaalsContact C-N 3.33Å; D6-S8 PolarHBondContact O-N 2.88Å; D6-S9 PolarHBondContact O-N 3.33Å; D6-V10 WeakPolarHBondContact O-CG2 3.36Å; D6-V10 PolarHBondContact O-N 3.34Å
7	F	67.3	Low	67.7	Low	154 Å²	154	106.3 Å²	106.3	68%	0.675	60%	0.601	S	S	*	*	H	α-helix	trans	-63.8	-41	175	-159.9	-94	0	0	0	111.5	V10 V11	F7-V10 PolarHBondContact O-N 3.42Å; F7-V11 HydrophobicContact CD1-CG2 3.94Å; F7-V11 HydrophobicContact CE1-CG2 3.77Å; F7-V11 HydrophobicContact CZ-CG2 4.43Å; F7-V11 WeakPolarHBondContact O-CB 3.43Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.46Å; F7-V11 PolarHBondContact O-N 3.13Å
8	S	76.4	Confident	67.4	Low	76 Å²	76	106.8 Å²	106.8	53%	0.531	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-43.7	176.3	-170.6	0	0	0	0	112	N4 S5 D6 V11 L12	N4-S8 WeakPolarHBondContact O-CB 3.37Å; N4-S8 PolarHBondContact O-N 3.48Å; S5-S8 WeakPolarHBondContact O-CB 3.29Å; S5-S8 PolarHBondContact O-N 3.04Å; D6-S8 VanDerWaalsContact C-N 3.33Å; D6-S8 PolarHBondContact O-N 2.88Å; S8-V11 PolarHBondContact O-N 2.77Å; S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.36Å
9	S	75.1	Confident	66.8	Low	70 Å²	70	106.4 Å²	106.4	49%	0.49	61%	0.61	S	S	.	*	H	α-helix	trans	-66	-40.5	178.5	-66.4	0	0	0	0	113.1	S5 D6 L12 L13	S5-S9 PolarHBondContact O-N 3.05Å; S5-S9 PolarHBondContact O-OG 2.73Å; D6-S9 PolarHBondContact O-N 3.33Å; S9-L12 PolarHBondContact O-N 3.28Å; S9-L13 PolarHBondContact O-N 3.46Å
10	V	77.2	Confident	66.2	Low	87 Å²	87	105.9 Å²	105.9	53%	0.527	61%	0.612	S	S	.	*	H	α-helix	trans	-66.8	-42.7	176.8	173.1	0	0	0	0	111.2	D6 F7 L12 L13 L14	D6-V10 WeakPolarHBondContact O-CG2 3.36Å; D6-V10 PolarHBondContact O-N 3.34Å; F7-V10 PolarHBondContact O-N 3.42Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L13 PolarHBondContact O-N 2.72Å; V10-L14 HydrophobicContact CG1-CD1 3.97Å; V10-L14 PolarHBondContact O-N 3.08Å
11	V	75.5	Confident	65.7	Low	64 Å²	64	105.1 Å²	105.1	39%	0.388	61%	0.612	S	S	.	*	H	α-helix	trans	-63.2	-41.5	175.6	172.1	0	0	0	0	110.8	F7 S8 L13 L14 C15	F7-V11 HydrophobicContact CD1-CG2 3.94Å; F7-V11 HydrophobicContact CE1-CG2 3.77Å; F7-V11 HydrophobicContact CZ-CG2 4.43Å; F7-V11 WeakPolarHBondContact O-CB 3.43Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.46Å; F7-V11 PolarHBondContact O-N 3.13Å; S8-V11 PolarHBondContact O-N 2.77Å; V11-L13 PolarHBondContact O-N 3.21Å; V11-L14 PolarHBondContact O-N 2.83Å; V11-C15 WeakPolarHBondContact O-CB 3.39Å; V11-C15 PolarHBondContact O-N 3.33Å; V11-C15 PolarHBondContact O-SG 3.49Å
12	L	72.6	Confident	65.7	Low	112 Å²	112	100.9 Å²	100.9	59%	0.586	60%	0.599	S	S	*	*	H	α-helix	trans	-63.5	-41.4	177.2	-155.4	81.4	0	0	0	111.9	S8 S9 V10 C15 L16	S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.36Å; S9-L12 PolarHBondContact O-N 3.28Å; V10-L12 VanDerWaalsContact C-N 3.34Å; L12-C15 PolarHBondContact O-N 3.07Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 3.1Å
13	L	72.8	Confident	65.9	Low	113 Å²	113	101.4 Å²	101.4	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-64.3	-43.3	176.4	-118.2	124.3	0	0	0	112	S9 V10 V11 L16 L17	S9-L13 PolarHBondContact O-N 3.46Å; V10-L13 PolarHBondContact O-N 2.72Å; V11-L13 PolarHBondContact O-N 3.21Å; L13-L16 PolarHBondContact O-N 3.26Å; L13-L17 HydrophobicContact CD2-CD1 4.42Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.36Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.27Å
14	L	70.2	Confident	66.3	Low	99 Å²	99	100.8 Å²	100.8	52%	0.518	59%	0.591	S	S	.	*	H	α-helix	trans	-62.6	-44.4	174.2	-84	158	0	0	0	111.5	V10 V11 L16 L17 V18	V10-L14 HydrophobicContact CG1-CD1 3.97Å; V10-L14 PolarHBondContact O-N 3.08Å; V11-L14 PolarHBondContact O-N 2.83Å; L14-L16 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 2.99Å; L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.49Å
15	C	67.3	Low	67.1	Low	76 Å²	76	102.7 Å²	102.7	51%	0.514	59%	0.594	S	S	.	*	H	α-helix	trans	-62.7	-40.8	176.6	-74.2	0	0	0	0	112.4	V11 L12 V18 C19	V11-C15 WeakPolarHBondContact O-CB 3.39Å; V11-C15 PolarHBondContact O-N 3.33Å; V11-C15 PolarHBondContact O-SG 3.49Å; L12-C15 PolarHBondContact O-N 3.07Å; C15-V18 PolarHBondContact O-N 3.28Å; C15-C19 VanDerWaalsContact O-CB 3.22Å; C15-C19 WeakPolarHBondContact O-CB 3.42Å; C15-C19 PolarHBondContact O-N 3.41Å
16	L	66.8	Low	68.4	Low	112 Å²	112	100.8 Å²	100.8	59%	0.586	58%	0.579	S	S	*	*	H	α-helix	trans	-65.3	-38.8	175.6	-73.6	169.3	0	0	0	112	L12 L13 L14 C20	L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 3.1Å; L13-L16 PolarHBondContact O-N 3.26Å; L14-L16 PolarHBondContact O-N 3.27Å; L16-C20 PolarHBondContact O-SG 2.86Å; L16-C20 VanDerWaalsContact O-SG 3.37Å
17	L	63.5	Low	69.7	Low	124 Å²	124	99.7 Å²	99.7	65%	0.649	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-34.7	176.9	-75.1	164.9	0	0	0	112.9	L13 L14	L13-L17 HydrophobicContact CD2-CD1 4.42Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.36Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.27Å; L14-L17 PolarHBondContact O-N 2.99Å
18	V	61.5	Low	71	Confident	116 Å²	116	97.7 Å²	97.7	70%	0.703	57%	0.569	S	S	*	*	H	α-helix	trans	-82.5	-27.4	-177.7	175.9	0	0	0	0	112.2	L14 C15	L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.5Å; L14-V18 PolarHBondContact O-N 3.49Å; C15-V18 PolarHBondContact O-N 3.28Å
19	C	57.4	Low	71.9	Confident	99 Å²	99	97.2 Å²	97.2	67%	0.669	57%	0.57	S	S	*	*	H	α-helix	trans	-77.3	-20.6	-175.5	-164.8	0	0	0	0	114.3	C15 C21	C15-C19 VanDerWaalsContact O-CB 3.22Å; C15-C19 WeakPolarHBondContact O-CB 3.42Å; C15-C19 PolarHBondContact O-N 3.41Å; C19-C21 PolarHBondContact O-N 2.81Å
20	C	54.5	Low	72.9	Confident	95 Å²	95	98.7 Å²	98.7	64%	0.642	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	9.8	-166.1	-69.5	0	0	0	0	116.6	L16	L16-C20 PolarHBondContact O-SG 2.86Å; L16-C20 VanDerWaalsContact O-SG 3.37Å
21	C	54.5	Low	73.8	Confident	91 Å²	91	96.4 Å²	96.4	62%	0.615	55%	0.552	S	S	*	*			trans	-133.7	48.5	-171.7	-67.6	0	0	0	0	114.1	C19 H23	C19-C21 PolarHBondContact O-N 2.81Å; C21-H23 PolarHBondContact O-N 3.18Å
22	V	55.1	Low	74.9	Confident	141 Å²	141	98 Å²	98	86%	0.855	56%	0.558	S	S	*	*			trans	-78.4	56.2	162.5	-161.1	0	0	0	0	109.4	A24	V22-A24 PolarHBondContact O-N 3.45Å
23	H	62.7	Low	76.1	Confident	100 Å²	100	97.9 Å²	97.9	46%	0.463	56%	0.555	S	S	.	*			trans	-80.8	111.1	165.4	-66.8	116.7	0	0	0	106.5	C21 K25 D77	C21-H23 PolarHBondContact O-N 3.18Å; H23-K25 PolarHBondContact O-N 3.12Å; H23-D77 IonicContact CD2-OD1 3.34Å; H23-D77 PolarHBondContact CD2-OD1 3.39Å; H23-D77 IonicContact CD2-OD2 3Å; H23-D77 PolarHBondContact CD2-OD2 2.94Å; H23-D77 IonicContact CG-OD2 3.95Å; H23-D77 IonicContact NE2-OD2 3.49Å; H23-D77 PolarHBondContact NE2-OD2 3.43Å
24	A	70.1	Confident	77.3	Confident	84 Å²	84	95.7 Å²	95.7	69%	0.694	54%	0.543	S	S	*	.			trans	-67.2	85	171.1	0	0	0	0	0	108	V22 L26 Q73	V22-A24 PolarHBondContact O-N 3.45Å; A24-L26 PolarHBondContact O-N 3.09Å; A24-Q73 PolarHBondContact O-NE2 3.05Å; A24-Q73 PolarHBondContact O-OE1 2.8Å; A24-Q73 VanDerWaalsContact O-OE1 3.04Å
25	K	79.1	Confident	78.6	Confident	172 Å²	172	92.9 Å²	92.9	75%	0.748	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-73.5	126.2	-179.3	-175.7	179.9	178.6	-178	0	108.9	H23 D27	H23-K25 PolarHBondContact O-N 3.12Å; K25-D27 PolarHBondContact O-N 3.06Å
26	L	90.1	Very high	80.1	Confident	23 Å²	23	92.2 Å²	92.2	12%	0.12	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-60.2	122.6	171.8	-159.7	78	0	0	0	110.3	A24 M30 R31 L34 W64 E69	A24-L26 PolarHBondContact O-N 3.09Å; L26-M30 HydrophobicContact CD1-CB 3.46Å; L26-M30 VanDerWaalsContact CD1-CB 3.46Å; L26-M30 HydrophobicContact CD1-CE 3.72Å; L26-M30 HydrophobicContact CD1-CG 4.38Å; L26-M30 HydrophobicContact CD1-SD 4.09Å; L26-M30 HydrophobicContact CG-CB 3.89Å; L26-R31 HydrophobicContact CD2-CB 3.89Å; L26-R31 HydrophobicContact CD2-CG 4.33Å; L26-R31 HydrophobicContact CG-CB 4.45Å; L26-L34 HydrophobicContact CD1-CD1 3.92Å; L26-L34 HydrophobicContact CD2-CD1 4.28Å; L26-W64 HydrophobicContact CD2-CH2 3.43Å; L26-W64 VanDerWaalsContact CD2-CH2 3.43Å; L26-W64 HydrophobicContact CD2-CZ2 3.29Å; L26-E69 HydrophobicContact CD2-CG 4.5Å
27	D	93.5	Very high	81.6	Confident	85 Å²	85	90.9 Å²	90.9	46%	0.455	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-85.3	173.5	171.3	71.7	19.6	0	0	0	111.7	K25 A29 M30 R31	K25-D27 PolarHBondContact O-N 3.06Å; D27-A29 VanDerWaalsContact C-N 3.26Å; D27-A29 PolarHBondContact O-N 3.11Å; D27-A29 WeakPolarHBondContact OD1-CB 3.4Å; D27-A29 PolarHBondContact OD1-N 2.65Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; D27-M30 PolarHBondContact O-N 3.38Å; D27-M30 WeakPolarHBondContact OD1-CB 3.39Å; D27-M30 VanDerWaalsContact OD1-CG 3.3Å; D27-M30 WeakPolarHBondContact OD1-CG 3.43Å; D27-M30 PolarHBondContact OD1-N 2.72Å; D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 3.07Å
28	D	95.4	Very high	83.3	Confident	112 Å²	112	89.3 Å²	89.3	60%	0.599	51%	0.505	S	S	*	.	H	α-helix	trans	-65.4	-30.6	-178	-67	-9.1	0	0	0	112.3	R31 N32	D28-R31 IonicContact OD1-CZ 2.65Å; D28-R31 IonicContact OD1-NH1 3.3Å; D28-R31 PolarHBondContact OD1-NH1 3.05Å; D28-N32 WeakPolarHBondContact O-CB 3.35Å; D28-N32 PolarHBondContact O-N 2.94Å; D28-N32 PolarHBondContact O-ND2 3.41Å
29	A	96	Very high	85	Confident	67 Å²	67	85.5 Å²	85.5	55%	0.554	48%	0.48	S	S	*	.	H	α-helix	trans	-68.4	-49.6	178.3	0	0	0	0	0	110.6	D27 R31 N32 E33	D27-A29 VanDerWaalsContact C-N 3.26Å; D27-A29 PolarHBondContact O-N 3.11Å; D27-A29 WeakPolarHBondContact OD1-CB 3.4Å; D27-A29 PolarHBondContact OD1-N 2.65Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.04Å; A29-N32 PolarHBondContact O-N 2.99Å; A29-E33 WeakPolarHBondContact O-CB 3.17Å; A29-E33 PolarHBondContact O-N 2.89Å
30	M	94.9	Very high	87	Confident	101 Å²	101	85.9 Å²	85.9	50%	0.498	47%	0.472	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.6	-65.9	175.8	75.3	0	0	111.7	L26 D27 E33 L34	L26-M30 HydrophobicContact CD1-CB 3.46Å; L26-M30 VanDerWaalsContact CD1-CB 3.46Å; L26-M30 HydrophobicContact CD1-CE 3.72Å; L26-M30 HydrophobicContact CD1-CG 4.38Å; L26-M30 HydrophobicContact CD1-SD 4.09Å; L26-M30 HydrophobicContact CG-CB 3.89Å; D27-M30 PolarHBondContact O-N 3.38Å; D27-M30 WeakPolarHBondContact OD1-CB 3.39Å; D27-M30 VanDerWaalsContact OD1-CG 3.3Å; D27-M30 WeakPolarHBondContact OD1-CG 3.43Å; D27-M30 PolarHBondContact OD1-N 2.72Å; M30-E33 PolarHBondContact O-N 2.93Å; M30-L34 WeakPolarHBondContact O-CB 3.02Å; M30-L34 WeakPolarHBondContact O-CG 3.45Å; M30-L34 PolarHBondContact O-N 3.05Å
31	R	96.6	Very high	89	Confident	39 Å²	39	83.9 Å²	83.9	15%	0.147	46%	0.463	C	S	.	.	H	α-helix	trans	-59.2	-48.2	175.3	-173.6	177.6	-64.3	102.7	8	111.8	L26 D27 D28 A29 L35 W64 E69	L26-R31 HydrophobicContact CD2-CB 3.89Å; L26-R31 HydrophobicContact CD2-CG 4.33Å; L26-R31 HydrophobicContact CG-CB 4.45Å; D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 3.07Å; D28-R31 IonicContact OD1-CZ 2.65Å; D28-R31 IonicContact OD1-NH1 3.3Å; D28-R31 PolarHBondContact OD1-NH1 3.05Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.04Å; R31-L35 WeakPolarHBondContact O-CB 3.46Å; R31-L35 PolarHBondContact O-N 2.9Å; R31-W64 HydrophobicContact CG-CB 4.44Å; R31-W64 HydrophobicContact CG-CD2 3.34Å; R31-W64 VanDerWaalsContact CG-CE2 3.45Å; R31-W64 HydrophobicContact CG-CE3 3.69Å; R31-W64 HydrophobicContact CG-CG 3.67Å; R31-W64 HydrophobicContact CG-CH2 4.18Å; R31-W64 HydrophobicContact CG-CZ2 3.89Å; R31-W64 HydrophobicContact CG-CZ3 4.09Å; R31-W64 VanDerWaalsContact NE-NE1 3.18Å; R31-E69 IonicContact CZ-OE1 3.89Å; R31-E69 IonicContact CZ-OE2 2.89Å; R31-E69 VanDerWaalsContact CZ-OE2 3.3Å; R31-E69 IonicContact NE-OE2 2.93Å; R31-E69 PolarHBondContact NE-OE2 3.49Å; R31-E69 IonicContact NH2-OE1 2.76Å; R31-E69 PolarHBondContact NH2-OE1 3.18Å; R31-E69 IonicContact NH2-OE2 3.78Å; R31-E69 PolarHBondContact NH2-OE2 3Å
32	N	97.6	Very high	91.1	Very high	97 Å²	97	83.1 Å²	83.1	52%	0.519	45%	0.447	S	S	.	.	H	α-helix	trans	-66.6	-40	179.7	-72.6	-29.3	0	0	0	111.7	D28 A29 L35 T36	D28-N32 WeakPolarHBondContact O-CB 3.35Å; D28-N32 PolarHBondContact O-N 2.94Å; D28-N32 PolarHBondContact O-ND2 3.41Å; A29-N32 PolarHBondContact O-N 2.99Å; N32-L35 PolarHBondContact O-N 2.88Å; N32-T36 VanDerWaalsContact O-CB 3.29Å; N32-T36 WeakPolarHBondContact O-CB 3.3Å; N32-T36 PolarHBondContact O-N 2.95Å; N32-T36 PolarHBondContact O-OG1 2.98Å
33	E	98	Very high	93.1	Very high	109 Å²	109	82 Å²	82	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-51.9	176.9	-176.7	61.9	-165.1	0	0	111.1	A29 M30 L35 T36 L37	A29-E33 WeakPolarHBondContact O-CB 3.17Å; A29-E33 PolarHBondContact O-N 2.89Å; M30-E33 PolarHBondContact O-N 2.93Å; E33-L35 VanDerWaalsContact C-N 3.31Å; E33-L35 PolarHBondContact O-N 3.33Å; E33-T36 WeakPolarHBondContact O-CB 3.46Å; E33-T36 PolarHBondContact O-N 2.93Å; E33-T36 VanDerWaalsContact O-N 3.12Å; E33-L37 HydrophobicContact CG-CD1 4.1Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 2.67Å
34	L	97.6	Very high	94.8	Very high	68 Å²	68	78.2 Å²	78.2	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-58.3	-43.7	177.9	-73.3	172.9	0	0	0	111.8	L26 M30 T36 H38 W64	L26-L34 HydrophobicContact CD1-CD1 3.92Å; L26-L34 HydrophobicContact CD2-CD1 4.28Å; M30-L34 WeakPolarHBondContact O-CB 3.02Å; M30-L34 WeakPolarHBondContact O-CG 3.45Å; M30-L34 PolarHBondContact O-N 3.05Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-H38 PolarHBondContact O-N 3.12Å; L34-H38 PolarHBondContact O-ND1 3.08Å; L34-W64 HydrophobicContact CB-CH2 4.45Å; L34-W64 HydrophobicContact CB-CZ3 3.98Å; L34-W64 HydrophobicContact CD1-CH2 4.08Å; L34-W64 HydrophobicContact CD1-CZ3 4.43Å
35	L	98.5	Very high	96.1	Very high	39 Å²	39	75.7 Å²	75.7	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-64.8	-39.4	177.9	-175.9	61.2	0	0	0	112.1	R31 N32 E33 N39 L62 W64	R31-L35 WeakPolarHBondContact O-CB 3.46Å; R31-L35 PolarHBondContact O-N 2.9Å; N32-L35 PolarHBondContact O-N 2.88Å; E33-L35 VanDerWaalsContact C-N 3.31Å; E33-L35 PolarHBondContact O-N 3.33Å; L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.43Å; L35-N39 VanDerWaalsContact O-N 3.08Å; L35-N39 PolarHBondContact O-ND2 3.17Å; L35-L62 HydrophobicContact CD1-CB 3.98Å; L35-W64 HydrophobicContact CB-CE3 4.31Å; L35-W64 HydrophobicContact CD2-CB 4.4Å
36	T	98.6	Very high	97	Very high	63 Å²	63	72.8 Å²	72.8	39%	0.387	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-54.1	178.5	-61.6	0	0	0	0	110.3	N32 E33 L34 H38 N39 E40	N32-T36 VanDerWaalsContact O-CB 3.29Å; N32-T36 WeakPolarHBondContact O-CB 3.3Å; N32-T36 PolarHBondContact O-N 2.95Å; N32-T36 PolarHBondContact O-OG1 2.98Å; E33-T36 WeakPolarHBondContact O-CB 3.46Å; E33-T36 PolarHBondContact O-N 2.93Å; E33-T36 VanDerWaalsContact O-N 3.12Å; L34-T36 VanDerWaalsContact C-N 3.34Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 2.99Å; T36-N39 PolarHBondContact O-N 3.46Å; T36-E40 HydrophobicContact CG2-CG 4.23Å; T36-E40 WeakPolarHBondContact O-CG 3.44Å; T36-E40 PolarHBondContact O-N 2.96Å
37	L	98.6	Very high	97.3	Very high	83 Å²	83	75.5 Å²	75.5	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-56	-43.1	179.6	-68.7	171.1	0	0	0	112.5	E33 N39 A41	E33-L37 HydrophobicContact CG-CD1 4.1Å; E33-L37 WeakPolarHBondContact O-CG 3.41Å; E33-L37 PolarHBondContact O-N 2.67Å; L37-N39 PolarHBondContact O-N 3.34Å; L37-A41 PolarHBondContact O-N 3.04Å; L37-A41 VanDerWaalsContact O-N 3.1Å
38	H	98.5	Very high	97.5	Very high	92 Å²	92	73.3 Å²	73.3	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-41.5	176.2	-78.5	81.6	0	0	0	112.1	L34 T36 A41 R42 L62	L34-H38 PolarHBondContact O-N 3.12Å; L34-H38 PolarHBondContact O-ND1 3.08Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 2.99Å; H38-A41 PolarHBondContact O-N 3.37Å; H38-R42 VanDerWaalsContact O-CG 3.25Å; H38-R42 WeakPolarHBondContact O-CG 3.33Å; H38-R42 PolarHBondContact O-N 3.04Å; H38-L62 HydrophobicContact CB-CD1 4.07Å
39	N	98.7	Very high	97.6	Very high	36 Å²	36	74.4 Å²	74.4	19%	0.193	39%	0.392	C	S	.	.	H	α-helix	trans	-73.7	-34.3	-178.4	-79.1	-31.8	0	0	0	112.9	L35 T36 L37 R42 Q43 P61 L62	L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.43Å; L35-N39 VanDerWaalsContact O-N 3.08Å; L35-N39 PolarHBondContact O-ND2 3.17Å; T36-N39 PolarHBondContact O-N 3.46Å; L37-N39 PolarHBondContact O-N 3.34Å; N39-R42 PolarHBondContact O-N 3.33Å; N39-Q43 WeakPolarHBondContact O-CB 3.25Å; N39-Q43 PolarHBondContact O-N 2.76Å; N39-P61 VanDerWaalsContact OD1-CA 3.29Å; N39-P61 WeakPolarHBondContact OD1-CA 3.5Å; N39-L62 PolarHBondContact ND2-O 2.97Å; N39-L62 PolarHBondContact OD1-N 3.41Å
40	E	98.2	Very high	97.5	Very high	107 Å²	107	75 Å²	75	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-61	-46.2	170.5	-73	-179.9	165.3	0	0	111	T36 R42 Q43 A44	T36-E40 HydrophobicContact CG2-CG 4.23Å; T36-E40 WeakPolarHBondContact O-CG 3.44Å; T36-E40 PolarHBondContact O-N 2.96Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 3.48Å; E40-Q43 PolarHBondContact O-N 2.97Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.78Å
41	A	97.7	Very high	97.6	Very high	53 Å²	53	80 Å²	80	44%	0.438	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-43.4	175.2	0	0	0	0	0	112	L37 H38 Q43 A44 V45	L37-A41 PolarHBondContact O-N 3.04Å; L37-A41 VanDerWaalsContact O-N 3.1Å; H38-A41 PolarHBondContact O-N 3.37Å; A41-Q43 VanDerWaalsContact C-N 3.33Å; A41-Q43 PolarHBondContact O-N 3.46Å; A41-A44 PolarHBondContact O-N 3.42Å; A41-V45 WeakPolarHBondContact O-CG2 3.49Å; A41-V45 PolarHBondContact O-N 3.48Å
42	R	98.3	Very high	97.5	Very high	74 Å²	74	81.6 Å²	81.6	28%	0.279	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.3	-69	172.8	74.5	76.1	-4.7	112.3	H38 N39 E40 R46 I59 K60	H38-R42 VanDerWaalsContact O-CG 3.25Å; H38-R42 WeakPolarHBondContact O-CG 3.33Å; H38-R42 PolarHBondContact O-N 3.04Å; N39-R42 PolarHBondContact O-N 3.33Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 3.48Å; R42-R46 PolarHBondContact O-N 2.94Å; R42-I59 HydrophobicContact CB-CD1 3.9Å; R42-I59 HydrophobicContact CB-CG1 4.14Å; R42-I59 HydrophobicContact CG-CD1 3.87Å; R42-I59 HydrophobicContact CG-CG1 4.24Å; R42-I59 WeakPolarHBondContact O-CG2 3.49Å; R42-K60 PolarHBondContact NE-O 2.76Å; R42-K60 PolarHBondContact NH2-O 2.8Å
43	Q	97.7	Very high	97.5	Very high	117 Å²	117	82.5 Å²	82.5	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-67.7	-41.1	175	-174.8	175.1	29.5	0	0	111.3	N39 E40 A41 V45 R46 N47	N39-Q43 WeakPolarHBondContact O-CB 3.25Å; N39-Q43 PolarHBondContact O-N 2.76Å; E40-Q43 PolarHBondContact O-N 2.97Å; A41-Q43 VanDerWaalsContact C-N 3.33Å; A41-Q43 PolarHBondContact O-N 3.46Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.37Å; Q43-R46 WeakPolarHBondContact O-CB 3.31Å; Q43-R46 PolarHBondContact O-N 3.29Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; Q43-N47 WeakPolarHBondContact O-CB 3.34Å; Q43-N47 VanDerWaalsContact O-CG 3.24Å; Q43-N47 PolarHBondContact O-N 3.32Å; Q43-N47 PolarHBondContact O-ND2 3.32Å
44	A	97.9	Very high	97.4	Very high	21 Å²	21	82 Å²	82	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-60	-42.6	175.5	0	0	0	0	0	111.6	E40 A41 N47 G48 Q49	E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 2.78Å; A41-A44 PolarHBondContact O-N 3.42Å; A44-N47 PolarHBondContact O-N 2.81Å; A44-G48 PolarHBondContact O-N 3.26Å; A44-G48 VanDerWaalsContact O-N 3.12Å; A44-Q49 HydrophobicContact CB-CB 4.13Å; A44-Q49 PolarHBondContact O-N 3.5Å
45	V	97.8	Very high	97.4	Very high	32 Å²	32	84.3 Å²	84.3	19%	0.194	45%	0.452	C	S	.	.	H	α-helix	trans	-61.6	-45.7	172.6	178.4	0	0	0	0	111.3	A41 Q43 N47 G48 L50 A56 I59	A41-V45 WeakPolarHBondContact O-CG2 3.49Å; A41-V45 PolarHBondContact O-N 3.48Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.37Å; V45-N47 VanDerWaalsContact C-N 3.25Å; V45-N47 PolarHBondContact O-N 3.13Å; V45-G48 PolarHBondContact O-N 3.07Å; V45-L50 HydrophobicContact CG2-CB 4.28Å; V45-L50 HydrophobicContact CG2-CD2 3.6Å; V45-A56 HydrophobicContact CG1-CB 3.7Å; V45-A56 PolarHBondContact O-N 3.33Å; V45-I59 HydrophobicContact CB-CD1 4.48Å; V45-I59 HydrophobicContact CG1-CD1 4.49Å
46	R	97	Very high	97.3	Very high	110 Å²	110	83.5 Å²	83.5	42%	0.415	45%	0.451	S	S	.	.	H	α-helix	trans	-60.7	-35	178	-170	-172.4	-73.3	-174.1	-6.6	112.8	R42 Q43 I55 I59	R42-R46 PolarHBondContact O-N 2.94Å; Q43-R46 WeakPolarHBondContact O-CB 3.31Å; Q43-R46 PolarHBondContact O-N 3.29Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; R46-I55 WeakPolarHBondContact O-CG2 3.46Å; R46-I59 HydrophobicContact CB-CG2 3.65Å; R46-I59 HydrophobicContact CG-CG2 4.17Å; R46-I59 PolarHBondContact NH2-O 2.76Å
47	N	96.6	Very high	97.2	Very high	81 Å²	81	87.8 Å²	87.8	43%	0.433	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-0.9	-176.5	-65.9	-12.9	0	0	0	113.1	Q43 A44 V45 Q49	Q43-N47 WeakPolarHBondContact O-CB 3.34Å; Q43-N47 VanDerWaalsContact O-CG 3.24Å; Q43-N47 PolarHBondContact O-N 3.32Å; Q43-N47 PolarHBondContact O-ND2 3.32Å; A44-N47 PolarHBondContact O-N 2.81Å; V45-N47 VanDerWaalsContact C-N 3.25Å; V45-N47 PolarHBondContact O-N 3.13Å; N47-Q49 VanDerWaalsContact C-N 3.28Å; N47-Q49 HydrophobicContact CB-CG 3.74Å; N47-Q49 PolarHBondContact ND2-OE1 3.1Å; N47-Q49 PolarHBondContact O-N 3.34Å
48	G	97	Very high	97.1	Very high	38 Å²	38	88.5 Å²	88.5	39%	0.392	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	25.3	-174.9	0	0	0	0	0	114	A44 V45	A44-G48 PolarHBondContact O-N 3.26Å; A44-G48 VanDerWaalsContact O-N 3.12Å; V45-G48 PolarHBondContact O-N 3.07Å
49	Q	97.7	Very high	97	Very high	136 Å²	136	85.6 Å²	85.6	64%	0.636	48%	0.476	S	S	*	.			trans	-93.9	-6.7	-177.4	-63	172.8	-57.4	0	0	112.7	A44 N47	A44-Q49 HydrophobicContact CB-CB 4.13Å; A44-Q49 PolarHBondContact O-N 3.5Å; N47-Q49 VanDerWaalsContact C-N 3.28Å; N47-Q49 HydrophobicContact CB-CG 3.74Å; N47-Q49 PolarHBondContact ND2-OE1 3.1Å; N47-Q49 PolarHBondContact O-N 3.34Å
50	L	95	Very high	96.9	Very high	79 Å²	79	91.3 Å²	91.3	41%	0.414	50%	0.499	S	S	.	.	S	Bend	trans	-92.2	109.9	175.7	-168.9	61.1	0	0	0	110.1	V45 G52 Q53	V45-L50 HydrophobicContact CG2-CB 4.28Å; V45-L50 HydrophobicContact CG2-CD2 3.6Å; L50-G52 PolarHBondContact O-N 2.93Å; L50-Q53 HydrophobicContact CB-CB 4.23Å; L50-Q53 HydrophobicContact CB-CG 4.4Å; L50-Q53 HydrophobicContact CD2-CB 4.33Å; L50-Q53 HydrophobicContact CD2-CG 3.78Å; L50-Q53 HydrophobicContact CG-CB 4.3Å; L50-Q53 HydrophobicContact CG-CG 3.91Å; L50-Q53 PolarHBondContact O-N 3.13Å; L50-Q53 VanDerWaalsContact O-N 3.11Å
51	F	95.3	Very high	96.9	Very high	207 Å²	207	90.4 Å²	90.4	91%	0.908	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	131.8	-175.4	-178.5	-98.4	0	0	0	112.2	Q53	F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.48Å
52	G	96.2	Very high	96.9	Very high	71 Å²	71	91.3 Å²	91.3	73%	0.732	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	1.7	179.6	0	0	0	0	0	115.4	L50	L50-G52 PolarHBondContact O-N 2.93Å
53	Q	96.1	Very high	96.9	Very high	117 Å²	117	97 Å²	97	55%	0.547	53%	0.526	S	S	.	.			trans	-107.9	142.7	177.5	-64	-64.5	-29.1	0	0	111.4	L50 F51	L50-Q53 HydrophobicContact CB-CB 4.23Å; L50-Q53 HydrophobicContact CB-CG 4.4Å; L50-Q53 HydrophobicContact CD2-CB 4.33Å; L50-Q53 HydrophobicContact CD2-CG 3.78Å; L50-Q53 HydrophobicContact CG-CB 4.3Å; L50-Q53 HydrophobicContact CG-CG 3.91Å; L50-Q53 PolarHBondContact O-N 3.13Å; L50-Q53 VanDerWaalsContact O-N 3.11Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 3.48Å
54	P	96.6	Very high	97	Very high	98 Å²	98	95.5 Å²	95.5	64%	0.636	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.4	156.1	173.8	30.7	-34.8	0	0	0	111.2	A56	P54-A56 PolarHBondContact O-N 3.41Å
55	I	97.4	Very high	96.9	Very high	116 Å²	116	96.3 Å²	96.3	60%	0.595	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64	126	171.7	-67.6	170.5	0	0	0	109.3	R46 V57	R46-I55 WeakPolarHBondContact O-CG2 3.46Å; I55-V57 PolarHBondContact O-N 3.3Å
56	A	97.4	Very high	96.8	Very high	23 Å²	23	99.3 Å²	99.3	19%	0.19	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-75	121.1	172.9	0	0	0	0	0	111.4	V45 P54 S58 I59	V45-A56 HydrophobicContact CG1-CB 3.7Å; V45-A56 PolarHBondContact O-N 3.33Å; P54-A56 PolarHBondContact O-N 3.41Å; A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 2.73Å; A56-I59 HydrophobicContact CB-CB 3.97Å; A56-I59 HydrophobicContact CB-CG2 3.66Å
57	V	96.1	Very high	96.9	Very high	153 Å²	153	97.7 Å²	97.7	93%	0.927	53%	0.532	S	S	*	.	S	Bend	trans	-62.3	-36.4	172.4	179	0	0	0	0	111.4	I55	I55-V57 PolarHBondContact O-N 3.3Å
58	S	96.1	Very high	96.9	Very high	98 Å²	98	96.4 Å²	96.4	69%	0.685	53%	0.525	S	S	*	.			trans	-150.7	120.7	178.5	-177.8	0	0	0	0	111	A56	A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 2.73Å
59	I	96.8	Very high	96.9	Very high	30 Å²	30	95.9 Å²	95.9	15%	0.154	51%	0.512	C	S	.	.			trans	-151.5	93.1	177	-171.1	170.4	0	0	0	110.6	R42 V45 R46 A56	R42-I59 HydrophobicContact CB-CD1 3.9Å; R42-I59 HydrophobicContact CB-CG1 4.14Å; R42-I59 HydrophobicContact CG-CD1 3.87Å; R42-I59 HydrophobicContact CG-CG1 4.24Å; R42-I59 WeakPolarHBondContact O-CG2 3.49Å; V45-I59 HydrophobicContact CB-CD1 4.48Å; V45-I59 HydrophobicContact CG1-CD1 4.49Å; R46-I59 HydrophobicContact CB-CG2 3.65Å; R46-I59 HydrophobicContact CG-CG2 4.17Å; R46-I59 PolarHBondContact NH2-O 2.76Å; A56-I59 HydrophobicContact CB-CB 3.97Å; A56-I59 HydrophobicContact CB-CG2 3.66Å
60	K	96.9	Very high	96.8	Very high	157 Å²	157	94.5 Å²	94.5	68%	0.683	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-67.5	147.9	-174.2	-65.5	-178.8	-178.9	178.2	0	112.2	R42	R42-K60 PolarHBondContact NE-O 2.76Å; R42-K60 PolarHBondContact NH2-O 2.8Å
61	P	97.8	Very high	96.9	Very high	87 Å²	87	92.9 Å²	92.9	57%	0.565	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-60	146.4	169.6	28.1	-34.9	0	0	0	110.3	N39	N39-P61 VanDerWaalsContact OD1-CA 3.29Å; N39-P61 WeakPolarHBondContact OD1-CA 3.5Å
62	L	98.4	Very high	97	Very high	73 Å²	73	85.7 Å²	85.7	38%	0.382	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-75	158.4	172.5	-57.3	-178.3	0	0	0	110.3	L35 H38 N39	L35-L62 HydrophobicContact CD1-CB 3.98Å; H38-L62 HydrophobicContact CB-CD1 4.07Å; N39-L62 PolarHBondContact ND2-O 2.97Å; N39-L62 PolarHBondContact OD1-N 3.41Å
63	K	98.1	Very high	96.9	Very high	194 Å²	194	84 Å²	84	84%	0.843	44%	0.443	S	S	*	.			trans	-122.9	148.6	166.4	-65	-177.1	179	-176.6	0	107.8
64	W	97.9	Very high	96.9	Very high	85 Å²	85	82.1 Å²	82.1	32%	0.322	44%	0.436	S	S	.	.			trans	-69.8	142.2	175.2	-162.9	-92.4	0	0	0	111.5	L26 R31 L34 L35 E69	L26-W64 HydrophobicContact CD2-CH2 3.43Å; L26-W64 VanDerWaalsContact CD2-CH2 3.43Å; L26-W64 HydrophobicContact CD2-CZ2 3.29Å; R31-W64 HydrophobicContact CG-CB 4.44Å; R31-W64 HydrophobicContact CG-CD2 3.34Å; R31-W64 VanDerWaalsContact CG-CE2 3.45Å; R31-W64 HydrophobicContact CG-CE3 3.69Å; R31-W64 HydrophobicContact CG-CG 3.67Å; R31-W64 HydrophobicContact CG-CH2 4.18Å; R31-W64 HydrophobicContact CG-CZ2 3.89Å; R31-W64 HydrophobicContact CG-CZ3 4.09Å; R31-W64 VanDerWaalsContact NE-NE1 3.18Å; L34-W64 HydrophobicContact CB-CH2 4.45Å; L34-W64 HydrophobicContact CB-CZ3 3.98Å; L34-W64 HydrophobicContact CD1-CH2 4.08Å; L34-W64 HydrophobicContact CD1-CZ3 4.43Å; L35-W64 HydrophobicContact CB-CE3 4.31Å; L35-W64 HydrophobicContact CD2-CB 4.4Å; W64-E69 HydrophobicContact CZ2-CB 3.94Å; W64-E69 HydrophobicContact CZ2-CG 3.93Å; W64-E69 PolarHBondContact NE1-OE2 3.44Å
65	N	97.7	Very high	96.8	Very high	37 Å²	37	78 Å²	78	20%	0.198	41%	0.409	C	S	.	.			trans	-126.9	118.8	174.3	-177.4	-61.9	0	0	0	109.1	E67 L68 E69 E93	N65-E67 VanDerWaalsContact C-N 3.35Å; N65-E67 PolarHBondContact O-N 3.28Å; N65-E67 WeakPolarHBondContact OD1-CB 3.36Å; N65-E67 PolarHBondContact OD1-N 3.13Å; N65-L68 HydrophobicContact CB-CB 4.21Å; N65-L68 HydrophobicContact CB-CD1 3.99Å; N65-L68 HydrophobicContact CB-CG 4Å; N65-L68 PolarHBondContact O-N 3.25Å; N65-L68 PolarHBondContact OD1-N 3.29Å; N65-E69 PolarHBondContact O-N 2.68Å; N65-E69 VanDerWaalsContact O-N 3.08Å; N65-E93 PolarHBondContact ND2-OE2 2.99Å; N65-E93 VanDerWaalsContact ND2-OE2 3.09Å
66	V	95.8	Very high	96.6	Very high	96 Å²	96	75.6 Å²	75.6	58%	0.582	40%	0.402	S	S	*	.	H	α-helix	trans	-72.1	-24.9	-173.7	-64.6	0	0	0	0	113.6	R70	V66-R70 WeakPolarHBondContact O-CB 3.4Å; V66-R70 PolarHBondContact O-N 3.39Å
67	E	97.1	Very high	96.3	Very high	75 Å²	75	77.1 Å²	77.1	35%	0.35	41%	0.407	S	S	.	.	H	α-helix	trans	-73.4	-38.6	173.5	-76.2	-58.3	128.3	0	0	111.3	N65 R70 K71 I91	N65-E67 VanDerWaalsContact C-N 3.35Å; N65-E67 PolarHBondContact O-N 3.28Å; N65-E67 WeakPolarHBondContact OD1-CB 3.36Å; N65-E67 PolarHBondContact OD1-N 3.13Å; E67-R70 PolarHBondContact O-N 2.86Å; E67-R70 IonicContact OE1-NE 3.86Å; E67-R70 IonicContact OE2-CZ 3.43Å; E67-R70 IonicContact OE2-NE 2.96Å; E67-R70 PolarHBondContact OE2-NE 3.29Å; E67-R70 IonicContact OE2-NH2 2.97Å; E67-R70 PolarHBondContact OE2-NH2 2.64Å; E67-K71 WeakPolarHBondContact O-CG 3.41Å; E67-K71 PolarHBondContact O-N 3.44Å; E67-I91 HydrophobicContact CB-CB 4.25Å; E67-I91 HydrophobicContact CB-CD1 3.84Å; E67-I91 HydrophobicContact CB-CG2 3.94Å
68	L	98	Very high	96.1	Very high	54 Å²	54	74.1 Å²	74.1	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-42.5	171.9	-65.6	-175.8	0	0	0	111.5	N65 K71 A72 I91 F94 V97	N65-L68 HydrophobicContact CB-CB 4.21Å; N65-L68 HydrophobicContact CB-CD1 3.99Å; N65-L68 HydrophobicContact CB-CG 4Å; N65-L68 PolarHBondContact O-N 3.25Å; N65-L68 PolarHBondContact OD1-N 3.29Å; L68-K71 PolarHBondContact O-N 3.19Å; L68-A72 WeakPolarHBondContact O-CB 3.48Å; L68-A72 PolarHBondContact O-N 3.24Å; L68-I91 HydrophobicContact CD2-CD1 3.8Å; L68-I91 HydrophobicContact CD2-CG1 4.01Å; L68-I91 HydrophobicContact CD2-CG2 4.02Å; L68-I91 HydrophobicContact CG-CD1 3.97Å; L68-F94 HydrophobicContact CD1-CD2 4.33Å; L68-F94 HydrophobicContact CD1-CE2 4.37Å; L68-F94 HydrophobicContact CD2-CD2 4.33Å; L68-V97 HydrophobicContact CD2-CG1 3.71Å; L68-V97 HydrophobicContact CD2-CG2 3.91Å
69	E	96.9	Very high	95.8	Very high	28 Å²	28	75.3 Å²	75.3	13%	0.131	39%	0.39	C	S	.	.	H	α-helix	trans	-57.4	-48.4	172.8	178.1	-173.9	158.9	0	0	111.4	L26 R31 W64 N65 K71 A72 Q73	L26-E69 HydrophobicContact CD2-CG 4.5Å; R31-E69 IonicContact CZ-OE1 3.89Å; R31-E69 IonicContact CZ-OE2 2.89Å; R31-E69 VanDerWaalsContact CZ-OE2 3.3Å; R31-E69 IonicContact NE-OE2 2.93Å; R31-E69 PolarHBondContact NE-OE2 3.49Å; R31-E69 IonicContact NH2-OE1 2.76Å; R31-E69 PolarHBondContact NH2-OE1 3.18Å; R31-E69 IonicContact NH2-OE2 3.78Å; R31-E69 PolarHBondContact NH2-OE2 3Å; W64-E69 HydrophobicContact CZ2-CB 3.94Å; W64-E69 HydrophobicContact CZ2-CG 3.93Å; W64-E69 PolarHBondContact NE1-OE2 3.44Å; N65-E69 PolarHBondContact O-N 2.68Å; N65-E69 VanDerWaalsContact O-N 3.08Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.48Å; E69-A72 WeakPolarHBondContact O-CB 3.38Å; E69-A72 PolarHBondContact O-N 2.77Å; E69-A72 VanDerWaalsContact O-N 3.13Å; E69-Q73 WeakPolarHBondContact O-CB 3.36Å; E69-Q73 PolarHBondContact O-N 3.04Å
70	R	95.8	Very high	95.5	Very high	107 Å²	107	78.7 Å²	78.7	40%	0.404	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-41.2	179.2	-172	-171.8	64.3	75.8	-1.9	112.1	V66 E67 Q73 I74	V66-R70 WeakPolarHBondContact O-CB 3.4Å; V66-R70 PolarHBondContact O-N 3.39Å; E67-R70 PolarHBondContact O-N 2.86Å; E67-R70 IonicContact OE1-NE 3.86Å; E67-R70 IonicContact OE2-CZ 3.43Å; E67-R70 IonicContact OE2-NE 2.96Å; E67-R70 PolarHBondContact OE2-NE 3.29Å; E67-R70 IonicContact OE2-NH2 2.97Å; E67-R70 PolarHBondContact OE2-NH2 2.64Å; R70-Q73 PolarHBondContact O-N 3.37Å; R70-I74 HydrophobicContact CG-CD1 4.49Å; R70-I74 VanDerWaalsContact NH1-CD1 3.26Å; R70-I74 WeakPolarHBondContact O-CG1 3.21Å; R70-I74 PolarHBondContact O-N 2.74Å; R70-I74 VanDerWaalsContact O-N 3.1Å
71	K	96.9	Very high	95.2	Very high	45 Å²	45	76.7 Å²	76.7	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-43	174.8	-67.9	-59.7	-160.5	151.2	0	112	E67 L68 E69 Q73 I74 L75 D88 Q90 I91	E67-K71 WeakPolarHBondContact O-CG 3.41Å; E67-K71 PolarHBondContact O-N 3.44Å; L68-K71 PolarHBondContact O-N 3.19Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 PolarHBondContact O-N 3.48Å; K71-Q73 VanDerWaalsContact C-N 3.33Å; K71-Q73 PolarHBondContact O-N 3.02Å; K71-I74 PolarHBondContact O-N 2.9Å; K71-L75 PolarHBondContact O-N 3.16Å; K71-L75 VanDerWaalsContact O-N 3.13Å; K71-D88 VanDerWaalsContact CD-O 3.25Å; K71-D88 WeakPolarHBondContact CD-O 3.44Å; K71-D88 VanDerWaalsContact CE-O 3.31Å; K71-D88 WeakPolarHBondContact CE-O 3.23Å; K71-D88 PolarHBondContact NZ-O 3.02Å; K71-Q90 WeakPolarHBondContact CE-O 3.42Å; K71-Q90 PolarHBondContact NZ-O 2.91Å; K71-I91 HydrophobicContact CG-CG2 3.78Å
72	A	96.3	Very high	95	Very high	56 Å²	56	73.7 Å²	73.7	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-40.7	176	0	0	0	0	0	112	L68 E69 L75 S76	L68-A72 WeakPolarHBondContact O-CB 3.48Å; L68-A72 PolarHBondContact O-N 3.24Å; E69-A72 WeakPolarHBondContact O-CB 3.38Å; E69-A72 PolarHBondContact O-N 2.77Å; E69-A72 VanDerWaalsContact O-N 3.13Å; A72-L75 PolarHBondContact O-N 2.93Å; A72-S76 PolarHBondContact O-N 3.45Å; A72-S76 PolarHBondContact O-OG 3.42Å
73	Q	95.1	Very high	94.9	Very high	36 Å²	36	75.4 Å²	75.4	17%	0.168	39%	0.392	C	S	.	.	H	α-helix	trans	-60.1	-49.9	174.8	-170.8	69.1	59	0	0	111	A24 E69 R70 K71 L75 S76 D77	A24-Q73 PolarHBondContact O-NE2 3.05Å; A24-Q73 PolarHBondContact O-OE1 2.8Å; A24-Q73 VanDerWaalsContact O-OE1 3.04Å; E69-Q73 WeakPolarHBondContact O-CB 3.36Å; E69-Q73 PolarHBondContact O-N 3.04Å; R70-Q73 PolarHBondContact O-N 3.37Å; K71-Q73 VanDerWaalsContact C-N 3.33Å; K71-Q73 PolarHBondContact O-N 3.02Å; Q73-L75 PolarHBondContact O-N 2.93Å; Q73-L75 VanDerWaalsContact O-N 3.16Å; Q73-S76 WeakPolarHBondContact CA-OG 3.29Å; Q73-S76 PolarHBondContact NE2-OG 3.21Å; Q73-S76 PolarHBondContact O-N 3.34Å; Q73-S76 PolarHBondContact O-OG 3.07Å; Q73-D77 WeakPolarHBondContact CG-OD2 3.46Å; Q73-D77 PolarHBondContact NE2-OD1 2.74Å; Q73-D77 WeakPolarHBondContact O-CB 3.3Å; Q73-D77 PolarHBondContact O-N 2.87Å; Q73-D77 VanDerWaalsContact O-OD2 3.05Å
74	I	94.8	Very high	94.8	Very high	76 Å²	76	66.9 Å²	66.9	39%	0.39	36%	0.356	S	S	.	.	H	α-helix	trans	-55.7	-36.9	177.2	-71.1	165.4	0	0	0	111.8	R70 K71 Q78	R70-I74 HydrophobicContact CG-CD1 4.49Å; R70-I74 VanDerWaalsContact NH1-CD1 3.26Å; R70-I74 WeakPolarHBondContact O-CG1 3.21Å; R70-I74 PolarHBondContact O-N 2.74Å; R70-I74 VanDerWaalsContact O-N 3.1Å; K71-I74 PolarHBondContact O-N 2.9Å; I74-Q78 WeakPolarHBondContact O-CG 3.45Å; I74-Q78 PolarHBondContact O-NE2 3.09Å
75	L	94.7	Very high	94.8	Very high	13 Å²	13	66.6 Å²	66.6	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-70.8	-47.7	174.3	175.8	56.5	0	0	0	111.8	K71 A72 Q73 D77 Q78 D84 Q99	K71-L75 PolarHBondContact O-N 3.16Å; K71-L75 VanDerWaalsContact O-N 3.13Å; A72-L75 PolarHBondContact O-N 2.93Å; Q73-L75 PolarHBondContact O-N 2.93Å; Q73-L75 VanDerWaalsContact O-N 3.16Å; L75-D77 PolarHBondContact O-N 3.11Å; L75-Q78 WeakPolarHBondContact O-CB 3.37Å; L75-Q78 PolarHBondContact O-N 3.04Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; L75-D84 HydrophobicContact CD1-CB 4.03Å; L75-D84 HydrophobicContact CD2-CB 4.29Å; L75-Q99 VanDerWaalsContact CD2-CD 3.46Å; L75-Q99 VanDerWaalsContact CD2-NE2 3.28Å
76	S	93.3	Very high	94.8	Very high	65 Å²	65	67.7 Å²	67.7	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-34.1	-179.5	57.8	0	0	0	0	112.5	A72 Q73 Q78 C79	A72-S76 PolarHBondContact O-N 3.45Å; A72-S76 PolarHBondContact O-OG 3.42Å; Q73-S76 WeakPolarHBondContact CA-OG 3.29Å; Q73-S76 PolarHBondContact NE2-OG 3.21Å; Q73-S76 PolarHBondContact O-N 3.34Å; Q73-S76 PolarHBondContact O-OG 3.07Å; S76-Q78 PolarHBondContact O-N 3.39Å; S76-C79 PolarHBondContact O-N 2.98Å
77	D	91.9	Very high	94.9	Very high	55 Å²	55	66 Å²	66	29%	0.294	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.3	179.4	-60.8	-21.3	0	0	0	112.9	H23 Q73 L75 C79	H23-D77 IonicContact CD2-OD1 3.34Å; H23-D77 PolarHBondContact CD2-OD1 3.39Å; H23-D77 IonicContact CD2-OD2 3Å; H23-D77 PolarHBondContact CD2-OD2 2.94Å; H23-D77 IonicContact CG-OD2 3.95Å; H23-D77 IonicContact NE2-OD2 3.49Å; H23-D77 PolarHBondContact NE2-OD2 3.43Å; Q73-D77 WeakPolarHBondContact CG-OD2 3.46Å; Q73-D77 PolarHBondContact NE2-OD1 2.74Å; Q73-D77 WeakPolarHBondContact O-CB 3.3Å; Q73-D77 PolarHBondContact O-N 2.87Å; Q73-D77 VanDerWaalsContact O-OD2 3.05Å; L75-D77 PolarHBondContact O-N 3.11Å; D77-C79 PolarHBondContact O-N 3.29Å
78	Q	92.4	Very high	94.9	Very high	89 Å²	89	66.1 Å²	66.1	42%	0.416	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.5	175.3	-64.7	166.8	27	0	0	112.7	I74 L75 S76 R80	I74-Q78 WeakPolarHBondContact O-CG 3.45Å; I74-Q78 PolarHBondContact O-NE2 3.09Å; L75-Q78 WeakPolarHBondContact O-CB 3.37Å; L75-Q78 PolarHBondContact O-N 3.04Å; L75-Q78 VanDerWaalsContact O-N 3.11Å; S76-Q78 PolarHBondContact O-N 3.39Å; Q78-R80 HydrophobicContact CB-CG 4.1Å; Q78-R80 PolarHBondContact O-N 3.07Å
79	C	89.8	Confident	94.9	Very high	124 Å²	124	65.4 Å²	65.4	84%	0.838	36%	0.361	S	S	*	.			trans	50.6	35.6	177.9	-64.8	0	0	0	0	113.8	S76 D77	S76-C79 PolarHBondContact O-N 2.98Å; D77-C79 PolarHBondContact O-N 3.29Å
80	R	90.5	Very high	95	Very high	101 Å²	101	67.7 Å²	67.7	38%	0.381	37%	0.372	S	S	.	.			trans	-118.3	150.4	177.8	69.6	177.2	-179.9	88	3.9	111.3	Q78 H83	Q78-R80 HydrophobicContact CB-CG 4.1Å; Q78-R80 PolarHBondContact O-N 3.07Å; R80-H83 PolarHBondContact NH1-O 3.34Å; R80-H83 PolarHBondContact NH2-O 3.37Å
81	V	91	Very high	95.1	Very high	114 Å²	114	63.1 Å²	63.1	69%	0.691	36%	0.356	S	S	*	.	S	Bend	trans	-80.5	139.1	175.8	178.2	0	0	0	0	109.9	W101	V81-W101 HydrophobicContact CB-CH2 4.4Å; V81-W101 HydrophobicContact CB-CZ2 4.31Å; V81-W101 HydrophobicContact CG1-CH2 3.85Å; V81-W101 HydrophobicContact CG1-CZ2 4.17Å; V81-W101 HydrophobicContact CG1-CZ3 4.09Å; V81-W101 HydrophobicContact CG2-CH2 3.98Å; V81-W101 HydrophobicContact CG2-CZ2 3.89Å
82	G	92.1	Very high	95.1	Very high	24 Å²	24	67.3 Å²	67.3	25%	0.247	39%	0.388	C	S	.	.	S	Bend	trans	102.7	-172	171.4	0	0	0	0	0	114.3
83	H	96.4	Very high	95.2	Very high	109 Å²	109	70.9 Å²	70.9	51%	0.505	40%	0.395	S	S	.	.			trans	-86.1	153.2	-171.6	-68.4	-56.4	0	0	0	113	R80 Q99	R80-H83 PolarHBondContact NH1-O 3.34Å; R80-H83 PolarHBondContact NH2-O 3.37Å; H83-Q99 VanDerWaalsContact CA-OE1 3.27Å; H83-Q99 PolarHBondContact CE1-O 3.25Å; H83-Q99 VanDerWaalsContact CE1-O 3.29Å; H83-Q99 PolarHBondContact ND1-OE1 3.3Å
84	D	97.1	Very high	95.3	Very high	16 Å²	16	72.9 Å²	72.9	9%	0.086	40%	0.403	C	S	.	.			trans	-85.4	-179.8	162.7	64.1	-7.5	0	0	0	111.9	L75 D88 R89 Q99	L75-D84 HydrophobicContact CD1-CB 4.03Å; L75-D84 HydrophobicContact CD2-CB 4.29Å; D84-D88 HydrophobicContact CB-CB 3.88Å; D84-D88 WeakPolarHBondContact OD2-CB 3.22Å; D84-R89 PolarHBondContact O-NH2 3.35Å; D84-R89 IonicContact OD1-CZ 3.34Å; D84-R89 IonicContact OD1-NE 2.8Å; D84-R89 PolarHBondContact OD1-NE 2.88Å; D84-R89 IonicContact OD1-NH2 3.25Å; D84-R89 PolarHBondContact OD1-NH2 3.38Å; D84-Q99 PolarHBondContact OD1-NE2 3.27Å; D84-Q99 PolarHBondContact OD1-OE1 3.27Å
85	T	98	Very high	95.4	Very high	78 Å²	78	75.9 Å²	75.9	48%	0.479	42%	0.415	S	S	.	.			trans	-79.2	162.5	176.8	74.4	0	0	0	0	111	A87 D88 R89	T85-A87 PolarHBondContact O-N 2.98Å; T85-A87 PolarHBondContact OG1-N 3.41Å; T85-D88 WeakPolarHBondContact CB-OD2 3.45Å; T85-D88 PolarHBondContact N-OD2 3.48Å; T85-D88 VanDerWaalsContact N-OD2 3.09Å; T85-D88 PolarHBondContact O-N 3.37Å; T85-D88 VanDerWaalsContact O-N 3.13Å; T85-D88 PolarHBondContact OG1-N 2.93Å; T85-D88 PolarHBondContact OG1-OD2 3.47Å; T85-R89 PolarHBondContact O-N 3.48Å
86	N	97.3	Very high	95.6	Very high	60 Å²	60	84.2 Å²	84.2	32%	0.321	45%	0.447	S	S	.	.	H	α-helix	trans	-58.6	-35.6	173.1	-172.6	70	0	0	0	112	D88 R89 Q90 Q95	N86-D88 VanDerWaalsContact C-N 3.26Å; N86-D88 PolarHBondContact O-N 3.02Å; N86-R89 PolarHBondContact O-N 3.03Å; N86-Q90 WeakPolarHBondContact O-CB 3.36Å; N86-Q90 PolarHBondContact O-N 3.41Å; N86-Q95 PolarHBondContact ND2-O 3.48Å; N86-Q95 PolarHBondContact OD1-O 2.92Å
87	A	97.7	Very high	95.8	Very high	60 Å²	60	82.4 Å²	82.4	50%	0.496	43%	0.433	S	S	.	.	H	α-helix	trans	-65.2	-31.4	178.9	0	0	0	0	0	112.4	T85 Q90	T85-A87 PolarHBondContact O-N 2.98Å; T85-A87 PolarHBondContact OG1-N 3.41Å; A87-Q90 WeakPolarHBondContact O-CG 3.49Å
88	D	97.8	Very high	96.1	Very high	78 Å²	78	83.2 Å²	83.2	42%	0.417	46%	0.455	S	S	.	.	H	α-helix	trans	-73.9	-41	178.5	-61	-43.3	0	0	0	111.8	K71 D84 T85 N86	K71-D88 VanDerWaalsContact CD-O 3.25Å; K71-D88 WeakPolarHBondContact CD-O 3.44Å; K71-D88 VanDerWaalsContact CE-O 3.31Å; K71-D88 WeakPolarHBondContact CE-O 3.23Å; K71-D88 PolarHBondContact NZ-O 3.02Å; D84-D88 HydrophobicContact CB-CB 3.88Å; D84-D88 WeakPolarHBondContact OD2-CB 3.22Å; T85-D88 WeakPolarHBondContact CB-OD2 3.45Å; T85-D88 PolarHBondContact N-OD2 3.48Å; T85-D88 VanDerWaalsContact N-OD2 3.09Å; T85-D88 PolarHBondContact O-N 3.37Å; T85-D88 VanDerWaalsContact O-N 3.13Å; T85-D88 PolarHBondContact OG1-N 2.93Å; T85-D88 PolarHBondContact OG1-OD2 3.47Å; N86-D88 VanDerWaalsContact C-N 3.26Å; N86-D88 PolarHBondContact O-N 3.02Å
89	R	97.2	Very high	96.3	Very high	39 Å²	39	80.9 Å²	80.9	15%	0.147	44%	0.444	C	S	.	.	H	α-helix	trans	-90.2	-15.9	-174.9	66.5	179.7	80.6	166.5	8.9	116.1	D84 T85 N86 V97	D84-R89 PolarHBondContact O-NH2 3.35Å; D84-R89 IonicContact OD1-CZ 3.34Å; D84-R89 IonicContact OD1-NE 2.8Å; D84-R89 PolarHBondContact OD1-NE 2.88Å; D84-R89 IonicContact OD1-NH2 3.25Å; D84-R89 PolarHBondContact OD1-NH2 3.38Å; T85-R89 PolarHBondContact O-N 3.48Å; N86-R89 PolarHBondContact O-N 3.03Å; R89-V97 HydrophobicContact CB-CB 4.47Å; R89-V97 WeakPolarHBondContact CD-O 3.43Å; R89-V97 HydrophobicContact CG-CB 4.05Å; R89-V97 PolarHBondContact NH1-O 3.46Å
90	Q	98.1	Very high	96.7	Very high	77 Å²	77	82.2 Å²	82.2	36%	0.36	44%	0.443	S	S	.	.			trans	-63.5	149.4	178.6	65.9	180	-22.7	0	0	111.7	K71 N86 A87	K71-Q90 WeakPolarHBondContact CE-O 3.42Å; K71-Q90 PolarHBondContact NZ-O 2.91Å; N86-Q90 WeakPolarHBondContact O-CB 3.36Å; N86-Q90 PolarHBondContact O-N 3.41Å; A87-Q90 WeakPolarHBondContact O-CG 3.49Å
91	I	98.2	Very high	96.8	Very high	11 Å²	11	83.1 Å²	83.1	6%	0.056	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-127.3	163.5	174.5	67.1	163.4	0	0	0	109.3	E67 L68 K71 E93 F94	E67-I91 HydrophobicContact CB-CB 4.25Å; E67-I91 HydrophobicContact CB-CD1 3.84Å; E67-I91 HydrophobicContact CB-CG2 3.94Å; L68-I91 HydrophobicContact CD2-CD1 3.8Å; L68-I91 HydrophobicContact CD2-CG1 4.01Å; L68-I91 HydrophobicContact CD2-CG2 4.02Å; L68-I91 HydrophobicContact CG-CD1 3.97Å; K71-I91 HydrophobicContact CG-CG2 3.78Å; I91-E93 HydrophobicContact CD1-CB 4.06Å; I91-E93 HydrophobicContact CG1-CB 4.26Å; I91-E93 PolarHBondContact O-N 3.45Å; I91-F94 HydrophobicContact CD1-CD2 3.55Å; I91-F94 HydrophobicContact CD1-CE2 4Å; I91-F94 HydrophobicContact CD1-CG 4.5Å; I91-F94 HydrophobicContact CG1-CB 4.05Å; I91-F94 HydrophobicContact CG1-CD2 3.76Å; I91-F94 HydrophobicContact CG1-CG 4.28Å; I91-F94 PolarHBondContact N-O 3.31Å; I91-F94 VanDerWaalsContact N-O 3.07Å; I91-F94 CarbonylContact O-C 3.31Å; I91-F94 VanDerWaalsContact O-C 3.31Å; I91-F94 PolarHBondContact O-N 3Å
92	P	97.2	Very high	96.9	Very high	133 Å²	133	82.1 Å²	82.1	86%	0.864	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.4	-178.6	-29	36.6	0	0	0	114.3
93	E	97.9	Very high	96.6	Very high	130 Å²	130	83.6 Å²	83.6	61%	0.607	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.9	178.3	-161.6	-177.6	172.2	0	0	113.3	N65 I91	N65-E93 PolarHBondContact ND2-OE2 2.99Å; N65-E93 VanDerWaalsContact ND2-OE2 3.09Å; I91-E93 HydrophobicContact CD1-CB 4.06Å; I91-E93 HydrophobicContact CG1-CB 4.26Å; I91-E93 PolarHBondContact O-N 3.45Å
94	F	98	Very high	96.1	Very high	78 Å²	78	82 Å²	82	34%	0.342	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-138.7	109.4	-170.9	-51	-55.1	0	0	0	112	L68 I91 Y96 V97	L68-F94 HydrophobicContact CD1-CD2 4.33Å; L68-F94 HydrophobicContact CD1-CE2 4.37Å; L68-F94 HydrophobicContact CD2-CD2 4.33Å; I91-F94 HydrophobicContact CD1-CD2 3.55Å; I91-F94 HydrophobicContact CD1-CE2 4Å; I91-F94 HydrophobicContact CD1-CG 4.5Å; I91-F94 HydrophobicContact CG1-CB 4.05Å; I91-F94 HydrophobicContact CG1-CD2 3.76Å; I91-F94 HydrophobicContact CG1-CG 4.28Å; I91-F94 PolarHBondContact N-O 3.31Å; I91-F94 VanDerWaalsContact N-O 3.07Å; I91-F94 CarbonylContact O-C 3.31Å; I91-F94 VanDerWaalsContact O-C 3.31Å; I91-F94 PolarHBondContact O-N 3Å; F94-Y96 VanDerWaalsContact C-N 3.34Å; F94-V97 HydrophobicContact CB-CG2 3.78Å
95	Q	97.1	Very high	95.3	Very high	139 Å²	139	88.1 Å²	88.1	65%	0.65	51%	0.509	S	S	*	.	S	Bend	trans	-73.2	-24.3	177.3	-67.8	-174.7	-24.7	0	0	113.8	N86	N86-Q95 PolarHBondContact ND2-O 3.48Å; N86-Q95 PolarHBondContact OD1-O 2.92Å
96	Y	97.8	Very high	94.5	Very high	189 Å²	189	89.2 Å²	89.2	74%	0.741	51%	0.512	S	S	*	.	S	Bend	trans	-127.6	117.7	178.7	-63.2	-78.1	0	0	0	109.3	F94	F94-Y96 VanDerWaalsContact C-N 3.34Å
97	V	98.3	Very high	93.2	Very high	26 Å²	26	93.2 Å²	93.2	16%	0.158	53%	0.532	C	S	.	.			trans	-123.8	121.9	-172.8	174.5	0	0	0	0	109.5	L68 R89 F94	L68-V97 HydrophobicContact CD2-CG1 3.71Å; L68-V97 HydrophobicContact CD2-CG2 3.91Å; R89-V97 HydrophobicContact CB-CB 4.47Å; R89-V97 WeakPolarHBondContact CD-O 3.43Å; R89-V97 HydrophobicContact CG-CB 4.05Å; R89-V97 PolarHBondContact NH1-O 3.46Å; F94-V97 HydrophobicContact CB-CG2 3.78Å
98	G	97.7	Very high	91.6	Very high	73 Å²	73	99.3 Å²	99.3	75%	0.753	55%	0.547	S	S	*	.			trans	-67.7	156.5	171.5	0	0	0	0	0	111.4
99	Q	97.9	Very high	89.7	Confident	39 Å²	39	105 Å²	105	18%	0.182	59%	0.585	C	S	.	*			trans	-147	130.1	-178	-173	176.2	85.3	0	0	110.2	L75 H83 D84	L75-Q99 VanDerWaalsContact CD2-CD 3.46Å; L75-Q99 VanDerWaalsContact CD2-NE2 3.28Å; H83-Q99 VanDerWaalsContact CA-OE1 3.27Å; H83-Q99 PolarHBondContact CE1-O 3.25Å; H83-Q99 VanDerWaalsContact CE1-O 3.29Å; H83-Q99 PolarHBondContact ND1-OE1 3.3Å; D84-Q99 PolarHBondContact OD1-NE2 3.27Å; D84-Q99 PolarHBondContact OD1-OE1 3.27Å
100	N	96.9	Very high	89.4	Confident	152 Å²	152	108.3 Å²	108.3	81%	0.813	61%	0.607	S	S	*	*			trans	-107.9	150.1	163.2	-70.8	-11.3	0	0	0	108
101	W	93.6	Very high	88.9	Confident	120 Å²	120	109.9 Å²	109.9	46%	0.455	62%	0.62	S	S	.	*			trans	-132.8	144.1	172.9	170.9	92.1	0	0	0	109	V81	V81-W101 HydrophobicContact CB-CH2 4.4Å; V81-W101 HydrophobicContact CB-CZ2 4.31Å; V81-W101 HydrophobicContact CG1-CH2 3.85Å; V81-W101 HydrophobicContact CG1-CZ2 4.17Å; V81-W101 HydrophobicContact CG1-CZ3 4.09Å; V81-W101 HydrophobicContact CG2-CH2 3.98Å; V81-W101 HydrophobicContact CG2-CZ2 3.89Å
102	A	91.8	Very high	88.4	Confident	94 Å²	94	115.4 Å²	115.4	78%	0.777	65%	0.651	S	S	*	*			trans	-137.7	141.2	170.1	0	0	0	0	0	108.6
103	G	87.3	Confident	87.9	Confident	54 Å²	54	114.4 Å²	114.4	56%	0.557	64%	0.638	S	S	*	*			trans	-151.2	152	173.6	0	0	0	0	0	110
104	A	84.7	Confident	87.2	Confident	75 Å²	75	113.4 Å²	113.4	62%	0.62	64%	0.64	S	S	*	*			trans	-131.3	144	175.9	0	0	0	0	0	108.9	D106 I107	A104-D106 VanDerWaalsContact C-N 3.28Å; A104-I107 HydrophobicContact CB-CG1 4.46Å
105	T	81.1	Confident	86.5	Confident	145 Å²	145	115.8 Å²	115.8	89%	0.89	66%	0.66	S	S	*	*	S	Bend	trans	-70.7	-30	172.4	41.2	0	0	0	0	112
106	D	80.3	Confident	85.8	Confident	102 Å²	102	114.1 Å²	114.1	55%	0.545	66%	0.661	S	S	.	*			trans	-142.8	124.9	-177.3	55	-36	0	0	0	108.8	A104	A104-D106 VanDerWaalsContact C-N 3.28Å
107	I	70.5	Confident	84.8	Confident	143 Å²	143	108.4 Å²	108.4	73%	0.733	66%	0.655	S	S	*	*			trans	-96.4	104.2	168.3	-56	176.8	0	0	0	105.5	A104 T109	A104-I107 HydrophobicContact CB-CG1 4.46Å; I107-T109 HydrophobicContact CG2-CG2 4.3Å; I107-T109 PolarHBondContact O-N 3.25Å
108	K	64.5	Low	83.7	Confident	189 Å²	189	115.3 Å²	115.3	82%	0.822	70%	0.696	S	S	*	*			trans	-70	101.2	168.2	-70	-172.2	179.9	-179.2	0	107.8
109	T	58.5	Low	82.4	Confident	197 Å²	197	119.1 Å²	119.1	100%	1.209	69%	0.691	S	S	*	*			trans	-79.4	0	165.7	54.5	0	0	0	0	111	I107	I107-T109 HydrophobicContact CG2-CG2 4.3Å; I107-T109 PolarHBondContact O-N 3.25Å

Retrieved 109 of 109 residues in 168.6 ms (Link to these results)

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