A0A3B3TRC2_9TELE Loading...

Prefoldin subunit 2

Binds specifically to cytosolic chaperonin (c-CPN) and transfers target proteins to it. Binds to nascent polypeptide chain and promotes folding in an environment in which there are many competing pathways for nonnative proteins.

AlphaFold DB , UniProt , Accession A0A3B3TRC2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	40	Very low	250 Å²	250	130.8 Å²	130.8	100%	1.232	83%	0.831	S	S	*	*				0	120	0	-63.2	176.3	168.3	0	0	106.6
2	A	40.5	Very low	39.5	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	83%	0.834	S	S	*	*			cis	-157.2	121.6	-7.4	0	0	0	0	0	104
3	A	44	Very low	39	Very low	100 Å²	100	129.3 Å²	129.3	83%	0.826	82%	0.824	S	S	*	*				38	112.4	106.4	0	0	0	0	0	116.3
4	N	42.4	Very low	39.4	Very low	155 Å²	155	128.9 Å²	128.9	83%	0.829	83%	0.827	S	S	*	*				-158.2	109.3	124.4	-150.1	31.1	0	0	0	113.3
5	S	46.3	Very low	39	Very low	88 Å²	88	127.3 Å²	127.3	62%	0.615	82%	0.821	S	S	*	*			trans	-45.9	164.4	142.5	41	0	0	0	0	112.3
6	S	40.3	Very low	39.4	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	83%	0.825	S	S	*	*			cis	179.9	163.5	8.9	33.7	0	0	0	0	107.8
7	S	38	Very low	39.1	Very low	102 Å²	102	121.6 Å²	121.6	71%	0.713	82%	0.82	S	S	*	*			trans	69.1	119	149.9	73.3	0	0	0	0	119.9
8	T	36	Very low	38.8	Very low	139 Å²	139	119.2 Å²	119.2	85%	0.853	82%	0.819	S	S	*	*				-168.1	129.8	99.5	34.3	0	0	0	0	109.5
9	G	41.6	Very low	38.9	Very low	85 Å²	85	116.9 Å²	116.9	88%	0.876	82%	0.817	S	S	*	*			trans	-76.6	143.6	170	0	0	0	0	0	110.7
10	S	34.7	Very low	39.2	Very low	115 Å²	115	120.9 Å²	120.9	80%	0.804	82%	0.819	S	S	*	*			trans	-128.2	120.8	155.2	51.1	0	0	0	0	108.1	T12	S10-T12 PolarHBondContact O-N 3.36Å
11	K	37.1	Very low	39.8	Very low	210 Å²	210	124.5 Å²	124.5	91%	0.913	82%	0.824	S	S	*	*			trans	-58.9	118.6	178	-71.6	168.4	171.6	175.7	0	108.8	S13	K11-S13 PolarHBondContact O-N 3.16Å
12	T	33.8	Very low	41	Very low	140 Å²	140	117.8 Å²	117.8	86%	0.859	80%	0.802	S	S	*	*			trans	-67.8	102.8	161	-51.5	0	0	0	0	107.3	S10 S14	S10-T12 PolarHBondContact O-N 3.36Å; T12-S14 PolarHBondContact O-N 3.45Å
13	S	34.1	Very low	42.7	Very low	102 Å²	102	116.1 Å²	116.1	71%	0.713	79%	0.793	S	S	*	*			trans	-63	111.6	170.2	38	0	0	0	0	109.3	K11 S15	K11-S13 PolarHBondContact O-N 3.16Å; S13-S15 PolarHBondContact O-N 2.74Å; S13-S15 VanDerWaalsContact O-N 3.17Å
14	S	44	Very low	44.7	Very low	123 Å²	123	114 Å²	114	86%	0.86	77%	0.771	S	S	*	*			trans	-60.4	108.3	154.8	44.1	0	0	0	0	109	T12	T12-S14 PolarHBondContact O-N 3.45Å
15	S	34.2	Very low	47	Very low	106 Å²	106	109.1 Å²	109.1	74%	0.741	75%	0.749	S	S	*	*			trans	-146.6	99.8	159.2	130.5	0	0	0	0	103.7	S13	S13-S15 PolarHBondContact O-N 2.74Å; S13-S15 VanDerWaalsContact O-N 3.17Å
16	G	45.4	Very low	49	Very low	85 Å²	85	107.8 Å²	107.8	88%	0.876	74%	0.743	S	S	*	*				76.8	45.9	57.9	0	0	0	0	0	110.1
17	G	33	Very low	51.4	Low	73 Å²	73	110.7 Å²	110.7	75%	0.753	75%	0.746	S	S	*	*			trans	-111	89	171.3	0	0	0	0	0	109.4	G19	G17-G19 PolarHBondContact O-N 2.55Å
18	G	34.6	Very low	54	Low	77 Å²	77	111.1 Å²	111.1	79%	0.794	74%	0.737	S	S	*	*			trans	-55.3	119.9	177.8	0	0	0	0	0	111.1	K20	G18-K20 PolarHBondContact O-N 3.46Å
19	G	39.5	Very low	56.7	Low	76 Å²	76	104.7 Å²	104.7	78%	0.784	70%	0.697	S	S	*	*			trans	-60.1	99.8	168.2	0	0	0	0	0	109	G17 Q21	G17-G19 PolarHBondContact O-N 2.55Å; G19-Q21 PolarHBondContact O-N 3.18Å; G19-Q21 VanDerWaalsContact O-N 3.07Å
20	K	46.1	Very low	59.1	Low	196 Å²	196	101.8 Å²	101.8	85%	0.852	66%	0.662	S	S	*	*			trans	-66.6	106.2	162.3	-154	170.8	-174.2	-178.8	0	104.5	G18 S22	G18-K20 PolarHBondContact O-N 3.46Å; K20-S22 PolarHBondContact O-N 3.09Å
21	Q	51.1	Low	61.9	Low	197 Å²	197	99 Å²	99	92%	0.921	65%	0.646	S	S	*	*			trans	-59.4	90.6	169.8	-73	-179.2	-56.2	0	0	107	G19 G23	G19-Q21 PolarHBondContact O-N 3.18Å; G19-Q21 VanDerWaalsContact O-N 3.07Å; Q21-G23 PolarHBondContact O-N 3.01Å
22	S	63.8	Low	64.7	Low	110 Å²	110	90.7 Å²	90.7	77%	0.769	61%	0.613	S	S	*	*			trans	-66.6	115.6	170.1	49.2	0	0	0	0	106	K20	K20-S22 PolarHBondContact O-N 3.09Å
23	G	77.8	Confident	67.6	Low	58 Å²	58	84.3 Å²	84.3	60%	0.598	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-54.5	168.3	171.4	0	0	0	0	0	111.8	Q21	Q21-G23 PolarHBondContact O-N 3.01Å
24	P	84.8	Confident	70.5	Confident	57 Å²	57	84.2 Å²	84.2	37%	0.37	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-55.3	143.6	179.7	24.3	-33.4	0	0	0	111	Q28 V29 Y125	P24-Q28 HydrophobicContact CB-CB 4.15Å; P24-V29 HydrophobicContact CB-CG2 4.07Å; P24-V29 HydrophobicContact CG-CG2 3.86Å; P24-Y125 HydrophobicContact CG-CE1 3.96Å; P24-Y125 WeakPolarHBondContact CG-OH 3.41Å
25	S	91.8	Very high	73	Confident	52 Å²	52	85.4 Å²	85.4	36%	0.364	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-64.6	158	176.1	74.3	0	0	0	0	111	E27 Q28 V29	S25-E27 PolarHBondContact O-N 3.44Å; S25-Q28 WeakPolarHBondContact O-CB 3.26Å; S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 VanDerWaalsContact OG-CG 3.28Å; S25-Q28 WeakPolarHBondContact OG-CG 3.34Å; S25-Q28 PolarHBondContact OG-N 2.98Å; S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3Å
26	A	88.4	Confident	76	Confident	59 Å²	59	81 Å²	81	49%	0.488	52%	0.515	S	S	.	.	H	α-helix	trans	-55.1	-40	177.5	0	0	0	0	0	112.2	V29 V30 V161	A26-V29 PolarHBondContact O-N 3.21Å; A26-V30 WeakPolarHBondContact O-CG2 3.46Å; A26-V30 PolarHBondContact O-N 2.89Å; A26-V161 HydrophobicContact CB-CB 4.29Å; A26-V161 HydrophobicContact CB-CG1 4.27Å
27	E	90.1	Very high	78.4	Confident	162 Å²	162	79.8 Å²	79.8	76%	0.757	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-42.3	174.9	-65.4	178.2	173.7	0	0	112.3	S25 V29 V30 A31	S25-E27 PolarHBondContact O-N 3.44Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3Å; E27-V30 PolarHBondContact O-N 2.93Å; E27-A31 VanDerWaalsContact O-CB 3.3Å; E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.39Å
28	Q	92.5	Very high	81.4	Confident	112 Å²	112	80.7 Å²	80.7	52%	0.523	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-37.4	176.9	-73.7	172.4	-22.1	0	0	112.1	P24 S25 T32	P24-Q28 HydrophobicContact CB-CB 4.15Å; S25-Q28 WeakPolarHBondContact O-CB 3.26Å; S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 VanDerWaalsContact OG-CG 3.28Å; S25-Q28 WeakPolarHBondContact OG-CG 3.34Å; S25-Q28 PolarHBondContact OG-N 2.98Å; Q28-T32 VanDerWaalsContact O-CB 3.32Å; Q28-T32 WeakPolarHBondContact O-CB 3.37Å; Q28-T32 PolarHBondContact O-N 3.27Å; Q28-T32 PolarHBondContact O-OG1 3.05Å
29	V	93.3	Very high	84.4	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.018	45%	0.446	C	S	.	.	H	α-helix	trans	-62	-51.2	174.9	169	0	0	0	0	110.3	P24 S25 A26 E27 A31 T32 F33 Y121 Y125 I127 V161	P24-V29 HydrophobicContact CB-CG2 4.07Å; P24-V29 HydrophobicContact CG-CG2 3.86Å; S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3Å; A26-V29 PolarHBondContact O-N 3.21Å; E27-V29 VanDerWaalsContact C-N 3.33Å; E27-V29 PolarHBondContact O-N 3Å; V29-A31 PolarHBondContact O-N 3Å; V29-T32 PolarHBondContact O-N 3.16Å; V29-F33 WeakPolarHBondContact O-CB 3.15Å; V29-F33 PolarHBondContact O-N 2.92Å; V29-Y121 WeakPolarHBondContact CA-OH 3.23Å; V29-Y121 HydrophobicContact CG1-CE1 3.85Å; V29-Y121 WeakPolarHBondContact O-CE1 3.39Å; V29-Y125 HydrophobicContact CB-CG 4.48Å; V29-Y125 VanDerWaalsContact CG1-CB 3.49Å; V29-Y125 HydrophobicContact CG1-CD1 4.05Å; V29-Y125 HydrophobicContact CG1-CD2 3.98Å; V29-Y125 HydrophobicContact CG1-CG 3.58Å; V29-Y125 HydrophobicContact CG2-CD1 3.64Å; V29-Y125 HydrophobicContact CG2-CD2 4.43Å; V29-Y125 HydrophobicContact CG2-CE1 3.76Å; V29-Y125 HydrophobicContact CG2-CG 4Å; V29-I127 HydrophobicContact CG1-CD1 3.76Å; V29-I127 HydrophobicContact CG1-CG1 4.15Å; V29-V161 HydrophobicContact CB-CG2 4.32Å; V29-V161 HydrophobicContact CG1-CG2 3.82Å
30	V	91.8	Very high	87.1	Confident	24 Å²	24	79.4 Å²	79.4	15%	0.145	42%	0.422	C	S	.	.	H	α-helix	trans	-59.8	-48	177.7	171.4	0	0	0	0	111.4	A26 E27 T32 F33 Q34 V159 V161	A26-V30 WeakPolarHBondContact O-CG2 3.46Å; A26-V30 PolarHBondContact O-N 2.89Å; E27-V30 PolarHBondContact O-N 2.93Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.44Å; V30-F33 PolarHBondContact O-N 3.06Å; V30-Q34 HydrophobicContact CG1-CG 4.33Å; V30-Q34 WeakPolarHBondContact O-CG 3.37Å; V30-Q34 PolarHBondContact O-N 3.45Å; V30-V159 HydrophobicContact CB-CG1 4.35Å; V30-V159 HydrophobicContact CG1-CB 3.71Å; V30-V159 HydrophobicContact CG1-CG1 3.93Å; V30-V159 HydrophobicContact CG1-CG2 4.43Å; V30-V159 HydrophobicContact CG2-CB 4.3Å; V30-V159 HydrophobicContact CG2-CG1 3.89Å; V30-V161 HydrophobicContact CG2-CG2 3.45Å; V30-V161 VanDerWaalsContact CG2-CG2 3.45Å
31	A	93.9	Very high	89.5	Confident	57 Å²	57	76.2 Å²	76.2	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-42	-179.3	0	0	0	0	0	111.8	E27 V29 Q34 R35	E27-A31 VanDerWaalsContact O-CB 3.3Å; E27-A31 WeakPolarHBondContact O-CB 3.39Å; E27-A31 PolarHBondContact O-N 3.39Å; V29-A31 PolarHBondContact O-N 3Å; A31-Q34 PolarHBondContact O-N 3.02Å; A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 PolarHBondContact O-N 3.42Å
32	T	95.4	Very high	91.7	Very high	36 Å²	36	71 Å²	71	22%	0.221	38%	0.383	C	S	.	.	H	α-helix	trans	-64.2	-46	177	-59.4	0	0	0	0	111.2	Q28 V29 V30 Q34 R35 M36 Y121	Q28-T32 VanDerWaalsContact O-CB 3.32Å; Q28-T32 WeakPolarHBondContact O-CB 3.37Å; Q28-T32 PolarHBondContact O-N 3.27Å; Q28-T32 PolarHBondContact O-OG1 3.05Å; V29-T32 PolarHBondContact O-N 3.16Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.44Å; T32-Q34 PolarHBondContact O-N 3.21Å; T32-R35 WeakPolarHBondContact O-CB 3.44Å; T32-R35 PolarHBondContact O-N 3.26Å; T32-M36 HydrophobicContact CG2-SD 4.16Å; T32-M36 WeakPolarHBondContact O-CG 3.45Å; T32-M36 PolarHBondContact O-N 3.48Å; T32-Y121 WeakPolarHBondContact CB-OH 3.47Å; T32-Y121 HydrophobicContact CG2-CE1 4.44Å; T32-Y121 HydrophobicContact CG2-CE2 4.15Å
33	F	95.1	Very high	93.3	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177.6	-177.6	-107.3	0	0	0	112.3	V29 V30 R35 M36 R37 L118 Y121 R122 I127 L129 V159	V29-F33 WeakPolarHBondContact O-CB 3.15Å; V29-F33 PolarHBondContact O-N 2.92Å; V30-F33 PolarHBondContact O-N 3.06Å; F33-R35 PolarHBondContact O-N 2.88Å; F33-M36 PolarHBondContact O-N 3.33Å; F33-R37 HydrophobicContact CE1-CG 4.28Å; F33-R37 HydrophobicContact CZ-CG 4.36Å; F33-R37 WeakPolarHBondContact O-CG 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; F33-L118 HydrophobicContact CD2-CD2 3.66Å; F33-L118 HydrophobicContact CE2-CD2 3.53Å; F33-L118 HydrophobicContact CZ-CD2 4.29Å; F33-Y121 HydrophobicContact CB-CD1 4.01Å; F33-Y121 HydrophobicContact CB-CE1 3.99Å; F33-Y121 AromaticContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CG-CD1 4.45Å; F33-R122 HydrophobicContact CE2-CB 4.01Å; F33-R122 HydrophobicContact CZ-CB 4.46Å; F33-I127 HydrophobicContact CB-CD1 3.68Å; F33-I127 HydrophobicContact CD1-CD1 4.26Å; F33-I127 HydrophobicContact CD1-CG2 3.98Å; F33-I127 HydrophobicContact CD2-CD1 3.81Å; F33-I127 HydrophobicContact CE1-CG2 4.01Å; F33-I127 HydrophobicContact CG-CD1 3.66Å; F33-I127 HydrophobicContact CG-CG2 4.41Å; F33-I127 HydrophobicContact CZ-CG2 4.48Å; F33-L129 HydrophobicContact CE1-CD1 4.36Å; F33-L129 HydrophobicContact CE1-CD2 4.13Å; F33-L129 HydrophobicContact CE1-CG 4.3Å; F33-L129 HydrophobicContact CZ-CD1 4.39Å; F33-V159 HydrophobicContact CD1-CG1 4.1Å; F33-V159 HydrophobicContact CD1-CG2 4.45Å
34	Q	94.6	Very high	94.2	Very high	100 Å²	100	66.6 Å²	66.6	47%	0.467	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.7	-71.6	-172.9	22.6	0	0	112	V30 A31 T32 M36 R37 Q38 V159	V30-Q34 HydrophobicContact CG1-CG 4.33Å; V30-Q34 WeakPolarHBondContact O-CG 3.37Å; V30-Q34 PolarHBondContact O-N 3.45Å; A31-Q34 PolarHBondContact O-N 3.02Å; T32-Q34 PolarHBondContact O-N 3.21Å; Q34-M36 PolarHBondContact O-N 3.04Å; Q34-R37 PolarHBondContact O-N 3.38Å; Q34-Q38 PolarHBondContact O-N 2.78Å; Q34-V159 HydrophobicContact CG-CG2 4.15Å
35	R	96.3	Very high	94.9	Very high	147 Å²	147	67.7 Å²	67.7	56%	0.555	35%	0.351	S	S	*	.	H	α-helix	trans	-59.4	-46.9	174.7	-172.9	-177.8	67.6	-149	-5.2	111.3	A31 T32 F33 R37 Q38 E39	A31-R35 WeakPolarHBondContact O-CB 3.31Å; A31-R35 PolarHBondContact O-N 3.42Å; T32-R35 WeakPolarHBondContact O-CB 3.44Å; T32-R35 PolarHBondContact O-N 3.26Å; F33-R35 PolarHBondContact O-N 2.88Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.69Å; R35-Q38 PolarHBondContact O-N 2.69Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; R35-E39 WeakPolarHBondContact CG-OE1 3.39Å; R35-E39 IonicContact NE-OE1 3.58Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.97Å
36	M	96.4	Very high	95.2	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.069	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-39.9	177.7	-69.6	173.6	68.9	0	0	112.4	T32 F33 Q34 E39 Q40 E117 L118 Y121	T32-M36 HydrophobicContact CG2-SD 4.16Å; T32-M36 WeakPolarHBondContact O-CG 3.45Å; T32-M36 PolarHBondContact O-N 3.48Å; F33-M36 PolarHBondContact O-N 3.33Å; Q34-M36 PolarHBondContact O-N 3.04Å; M36-E39 PolarHBondContact O-N 3.14Å; M36-Q40 PolarHBondContact O-N 3.14Å; M36-E117 HydrophobicContact CE-CB 3.57Å; M36-L118 HydrophobicContact CB-CD2 3.53Å; M36-L118 HydrophobicContact CB-CG 4.05Å; M36-L118 HydrophobicContact CE-CD2 4.38Å; M36-L118 HydrophobicContact CE-CG 4.25Å; M36-Y121 HydrophobicContact SD-CD2 4.39Å; M36-Y121 HydrophobicContact SD-CG 4.3Å
37	R	95.7	Very high	95.6	Very high	60 Å²	60	66.5 Å²	66.5	23%	0.226	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-41.1	173.8	-71.7	-173.6	75.4	-168.1	12.3	112	F33 Q34 R35 Q40 R41 L118	F33-R37 HydrophobicContact CE1-CG 4.28Å; F33-R37 HydrophobicContact CZ-CG 4.36Å; F33-R37 WeakPolarHBondContact O-CG 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; Q34-R37 PolarHBondContact O-N 3.38Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 2.69Å; R37-Q40 PolarHBondContact O-N 3.32Å; R37-R41 WeakPolarHBondContact O-CG 3.05Å; R37-R41 PolarHBondContact O-N 3Å; R37-L118 HydrophobicContact CG-CD1 4.23Å; R37-L118 HydrophobicContact CG-CD2 3.69Å
38	Q	96.8	Very high	96	Very high	91 Å²	91	60.7 Å²	60.7	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-42.9	177.3	-170.4	60.1	44.6	0	0	111.1	Q34 R35 Q40 R41 N42	Q34-Q38 PolarHBondContact O-N 2.78Å; R35-Q38 PolarHBondContact O-N 2.69Å; R35-Q38 VanDerWaalsContact O-N 3.13Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 2.88Å; Q38-R41 PolarHBondContact O-N 2.95Å; Q38-N42 PolarHBondContact NE2-OD1 3.16Å; Q38-N42 WeakPolarHBondContact O-CB 3.43Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-OD1 2.88Å
39	E	97.1	Very high	96.2	Very high	68 Å²	68	60 Å²	60	32%	0.318	31%	0.306	S	S	.	.	H	α-helix	trans	-56.9	-45.8	173.7	-72.7	168.2	-164.8	0	0	111.3	R35 M36 R41 N42 M43 K114	R35-E39 WeakPolarHBondContact CG-OE1 3.39Å; R35-E39 IonicContact NE-OE1 3.58Å; R35-E39 WeakPolarHBondContact O-CG 3.4Å; R35-E39 PolarHBondContact O-N 2.97Å; M36-E39 PolarHBondContact O-N 3.14Å; E39-R41 PolarHBondContact O-N 3.04Å; E39-N42 PolarHBondContact O-N 3.19Å; E39-M43 WeakPolarHBondContact O-CG 3.27Å; E39-M43 PolarHBondContact O-N 3.12Å; E39-K114 WeakPolarHBondContact OE2-CE 3.25Å; E39-K114 IonicContact OE2-NZ 2.73Å; E39-K114 PolarHBondContact OE2-NZ 3.04Å
40	Q	96	Very high	96.5	Very high	58 Å²	58	60.8 Å²	60.8	27%	0.271	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-43.9	177.3	-165.3	-174	29.9	0	0	112.7	M36 R37 Q38 M43 A44 M111 K114 L118	M36-Q40 PolarHBondContact O-N 3.14Å; R37-Q40 PolarHBondContact O-N 3.32Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 2.88Å; Q40-M43 PolarHBondContact O-N 3.31Å; Q40-A44 PolarHBondContact O-N 3.12Å; Q40-M111 HydrophobicContact CG-CG 3.91Å; Q40-K114 HydrophobicContact CB-CG 4.4Å; Q40-L118 HydrophobicContact CB-CD1 4.15Å
41	R	96.5	Very high	96.8	Very high	129 Å²	129	64.2 Å²	64.2	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-37.8	176.9	-71.2	172.8	179.7	168.2	-3.3	112.6	R37 Q38 E39 M43 A44 S45	R37-R41 WeakPolarHBondContact O-CG 3.05Å; R37-R41 PolarHBondContact O-N 3Å; Q38-R41 PolarHBondContact O-N 2.95Å; E39-R41 PolarHBondContact O-N 3.04Å; R41-M43 VanDerWaalsContact C-N 3.35Å; R41-A44 PolarHBondContact O-N 3.3Å; R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.04Å
42	N	97.5	Very high	97	Very high	87 Å²	87	67.3 Å²	67.3	47%	0.465	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-42.5	176.3	-68.3	-7.4	0	0	0	110.7	Q38 E39 S45 K46	Q38-N42 PolarHBondContact NE2-OD1 3.16Å; Q38-N42 WeakPolarHBondContact O-CB 3.43Å; Q38-N42 PolarHBondContact O-N 2.91Å; Q38-N42 PolarHBondContact O-OD1 2.88Å; E39-N42 PolarHBondContact O-N 3.19Å; N42-S45 PolarHBondContact O-N 3.39Å; N42-K46 PolarHBondContact O-N 3.16Å
43	M	97.8	Very high	97.1	Very high	34 Å²	34	68 Å²	68	17%	0.167	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-46.6	174.1	-74.2	-173.2	-71.1	0	0	111.8	E39 Q40 R41 S45 K46 A47 I107 Q110 M111 K114	E39-M43 WeakPolarHBondContact O-CG 3.27Å; E39-M43 PolarHBondContact O-N 3.12Å; Q40-M43 PolarHBondContact O-N 3.31Å; R41-M43 VanDerWaalsContact C-N 3.35Å; M43-S45 VanDerWaalsContact C-N 3.33Å; M43-S45 PolarHBondContact O-N 3.3Å; M43-K46 PolarHBondContact O-N 3.17Å; M43-A47 PolarHBondContact O-N 3.33Å; M43-I107 HydrophobicContact CB-CG2 3.98Å; M43-I107 WeakPolarHBondContact O-CG2 3.47Å; M43-Q110 HydrophobicContact SD-CB 3.85Å; M43-M111 HydrophobicContact CB-CB 4.46Å; M43-M111 HydrophobicContact CE-CB 4.43Å; M43-K114 HydrophobicContact CE-CB 3.71Å; M43-K114 HydrophobicContact CE-CG 3.88Å
44	A	96.8	Very high	97.2	Very high	43 Å²	43	68.9 Å²	68.9	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.7	0	0	0	0	0	112.3	Q40 R41 K46 A47 A48 M111	Q40-A44 PolarHBondContact O-N 3.12Å; R41-A44 PolarHBondContact O-N 3.3Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.43Å; A44-A47 PolarHBondContact O-N 3.42Å; A44-A48 PolarHBondContact O-N 2.8Å; A44-A48 VanDerWaalsContact O-N 3.07Å; A44-M111 HydrophobicContact CB-SD 3.78Å
45	S	98.1	Very high	97.3	Very high	79 Å²	79	69.2 Å²	69.2	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-63.2	-40.9	177.8	-53.9	0	0	0	0	111.5	R41 N42 M43 A48 E49	R41-S45 PolarHBondContact O-N 2.9Å; R41-S45 PolarHBondContact O-OG 3.04Å; N42-S45 PolarHBondContact O-N 3.39Å; M43-S45 VanDerWaalsContact C-N 3.33Å; M43-S45 PolarHBondContact O-N 3.3Å; S45-A48 PolarHBondContact O-N 2.98Å; S45-E49 PolarHBondContact O-N 2.93Å; S45-E49 VanDerWaalsContact O-N 3.13Å
46	K	98.1	Very high	97.4	Very high	83 Å²	83	68.3 Å²	68.3	36%	0.361	35%	0.345	S	S	.	.	H	α-helix	trans	-70.5	-37	178.2	-171.2	51.7	172.9	169.3	0	112.7	N42 M43 A44 E49 L50 I107	N42-K46 PolarHBondContact O-N 3.16Å; M43-K46 PolarHBondContact O-N 3.17Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.43Å; K46-E49 WeakPolarHBondContact CD-OE2 3.34Å; K46-E49 IonicContact NZ-OE1 2.81Å; K46-E49 PolarHBondContact NZ-OE1 3.12Å; K46-E49 IonicContact NZ-OE2 2.82Å; K46-E49 PolarHBondContact NZ-OE2 3.35Å; K46-E49 PolarHBondContact O-N 3.41Å; K46-L50 HydrophobicContact CD-CG 4.47Å; K46-L50 HydrophobicContact CG-CD1 4.46Å; K46-L50 WeakPolarHBondContact O-CG 3.37Å; K46-L50 PolarHBondContact O-N 2.97Å; K46-L50 VanDerWaalsContact O-N 3.12Å; K46-I107 HydrophobicContact CG-CD1 4.17Å
47	A	97.8	Very high	97.4	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-48.1	173.5	0	0	0	0	0	110.8	M43 A44 E49 L50 E51 I107	M43-A47 PolarHBondContact O-N 3.33Å; A44-A47 PolarHBondContact O-N 3.42Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.2Å; A47-L50 PolarHBondContact O-N 3.48Å; A47-E51 WeakPolarHBondContact O-CG 3.41Å; A47-E51 PolarHBondContact O-N 3.11Å; A47-I107 HydrophobicContact CB-CG2 4Å
48	A	97.8	Very high	97.5	Very high	40 Å²	40	68 Å²	68	33%	0.331	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-38.7	179	0	0	0	0	0	113.1	A44 S45 E51 M52	A44-A48 PolarHBondContact O-N 2.8Å; A44-A48 VanDerWaalsContact O-N 3.07Å; S45-A48 PolarHBondContact O-N 2.98Å; A48-E51 PolarHBondContact O-N 3.31Å; A48-M52 WeakPolarHBondContact O-CG 3.37Å; A48-M52 PolarHBondContact O-N 2.92Å
49	E	98.1	Very high	97.5	Very high	97 Å²	97	69.3 Å²	69.3	45%	0.453	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-48.9	173.6	-172.2	-167	153.4	0	0	111.2	S45 K46 A47 E51 M52 D53	S45-E49 PolarHBondContact O-N 2.93Å; S45-E49 VanDerWaalsContact O-N 3.13Å; K46-E49 WeakPolarHBondContact CD-OE2 3.34Å; K46-E49 IonicContact NZ-OE1 2.81Å; K46-E49 PolarHBondContact NZ-OE1 3.12Å; K46-E49 IonicContact NZ-OE2 2.82Å; K46-E49 PolarHBondContact NZ-OE2 3.35Å; K46-E49 PolarHBondContact O-N 3.41Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-E49 PolarHBondContact O-N 3.2Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.48Å; E49-M52 WeakPolarHBondContact O-CB 3.17Å; E49-M52 PolarHBondContact O-N 3.42Å; E49-M52 VanDerWaalsContact O-N 3.12Å; E49-D53 PolarHBondContact O-N 3.23Å; E49-D53 VanDerWaalsContact O-N 3.17Å
50	L	98.3	Very high	97.5	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-67.7	-29.9	179.7	-66.6	177.2	0	0	0	112.8	K46 A47 M52 D53 I54 I100 V103 I104 I107	K46-L50 HydrophobicContact CD-CG 4.47Å; K46-L50 HydrophobicContact CG-CD1 4.46Å; K46-L50 WeakPolarHBondContact O-CG 3.37Å; K46-L50 PolarHBondContact O-N 2.97Å; K46-L50 VanDerWaalsContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 3.48Å; L50-M52 VanDerWaalsContact C-N 3.31Å; L50-D53 PolarHBondContact O-N 3.01Å; L50-I54 PolarHBondContact O-N 3.4Å; L50-I100 HydrophobicContact CB-CG2 3.87Å; L50-I100 HydrophobicContact CD2-CG2 4.15Å; L50-I100 HydrophobicContact CG-CG2 4.45Å; L50-V103 HydrophobicContact CD1-CB 4.48Å; L50-V103 HydrophobicContact CD1-CG1 3.75Å; L50-I104 HydrophobicContact CB-CD1 3.74Å; L50-I104 HydrophobicContact CB-CG1 3.62Å; L50-I104 HydrophobicContact CD1-CG1 4.13Å; L50-I107 HydrophobicContact CD1-CD1 3.79Å
51	E	97.9	Very high	97.6	Very high	96 Å²	96	66.6 Å²	66.6	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-37	172	-74.7	175.5	174.7	0	0	111.5	A47 A48 E49 I54 N55 I104	A47-E51 WeakPolarHBondContact O-CG 3.41Å; A47-E51 PolarHBondContact O-N 3.11Å; A48-E51 PolarHBondContact O-N 3.31Å; E49-E51 VanDerWaalsContact C-N 3.31Å; E49-E51 PolarHBondContact O-N 3.48Å; E51-I54 PolarHBondContact O-N 3.23Å; E51-N55 PolarHBondContact O-N 2.98Å; E51-N55 PolarHBondContact O-ND2 3.46Å; E51-I104 HydrophobicContact CG-CD1 3.9Å
52	M	98.1	Very high	97.6	Very high	122 Å²	122	64.7 Å²	64.7	60%	0.601	35%	0.348	S	S	*	.	H	α-helix	trans	-63.7	-45.8	172.5	-64.3	178.1	-174.1	0	0	110.9	A48 E49 L50 I54 N55 E56	A48-M52 WeakPolarHBondContact O-CG 3.37Å; A48-M52 PolarHBondContact O-N 2.92Å; E49-M52 WeakPolarHBondContact O-CB 3.17Å; E49-M52 PolarHBondContact O-N 3.42Å; E49-M52 VanDerWaalsContact O-N 3.12Å; L50-M52 VanDerWaalsContact C-N 3.31Å; M52-I54 VanDerWaalsContact C-N 3.28Å; M52-I54 PolarHBondContact O-N 2.91Å; M52-N55 WeakPolarHBondContact O-CB 3.17Å; M52-N55 PolarHBondContact O-N 2.66Å; M52-E56 PolarHBondContact O-N 3.37Å
53	D	97.5	Very high	97.5	Very high	50 Å²	50	64.2 Å²	64.2	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-57.4	-40.6	177	-66.6	-15	0	0	0	111.9	E49 L50 N55 E56 H57 I100	E49-D53 PolarHBondContact O-N 3.23Å; E49-D53 VanDerWaalsContact O-N 3.17Å; L50-D53 PolarHBondContact O-N 3.01Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.84Å; D53-E56 PolarHBondContact O-N 3.12Å; D53-H57 WeakPolarHBondContact O-CB 3.48Å; D53-H57 PolarHBondContact O-CD2 3.48Å; D53-H57 PolarHBondContact O-N 3.43Å; D53-I100 HydrophobicContact CB-CD1 4.35Å
54	I	98	Very high	97.4	Very high	25 Å²	25	64 Å²	64	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-41.9	175.4	-76	179.5	0	0	0	111.7	L50 E51 M52 H57 S58 K97 I100 S101 I104	L50-I54 PolarHBondContact O-N 3.4Å; E51-I54 PolarHBondContact O-N 3.23Å; M52-I54 VanDerWaalsContact C-N 3.28Å; M52-I54 PolarHBondContact O-N 2.91Å; I54-H57 PolarHBondContact O-N 3.13Å; I54-S58 WeakPolarHBondContact O-CB 3.4Å; I54-S58 PolarHBondContact O-N 2.97Å; I54-S58 PolarHBondContact O-OG 2.89Å; I54-K97 HydrophobicContact CG2-CG 4.39Å; I54-I100 HydrophobicContact CD1-CB 4.49Å; I54-I100 HydrophobicContact CD1-CG2 3.97Å; I54-I100 HydrophobicContact CG1-CB 4.15Å; I54-I100 HydrophobicContact CG1-CG2 3.67Å; I54-S101 WeakPolarHBondContact CD1-OG 3.35Å; I54-I104 HydrophobicContact CD1-CD1 3.37Å; I54-I104 HydrophobicContact CG1-CD1 4.28Å
55	N	97.5	Very high	97.3	Very high	108 Å²	108	67.5 Å²	67.5	58%	0.578	36%	0.355	S	S	*	.	H	α-helix	trans	-66	-43.3	-179.9	-68	-36.8	0	0	0	110.7	E51 M52 D53 S58 L59	E51-N55 PolarHBondContact O-N 2.98Å; E51-N55 PolarHBondContact O-ND2 3.46Å; M52-N55 WeakPolarHBondContact O-CB 3.17Å; M52-N55 PolarHBondContact O-N 2.66Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 2.84Å; N55-S58 WeakPolarHBondContact O-CB 3.31Å; N55-S58 PolarHBondContact O-N 3.07Å; N55-L59 PolarHBondContact O-N 3.47Å
56	E	97	Very high	97.2	Very high	128 Å²	128	72.3 Å²	72.3	60%	0.598	37%	0.369	S	S	*	.	H	α-helix	trans	-61.4	-48.4	174.7	-67.6	-175.5	175.7	0	0	111.7	M52 D53 S58 L59 V60	M52-E56 PolarHBondContact O-N 3.37Å; D53-E56 PolarHBondContact O-N 3.12Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.18Å; E56-L59 PolarHBondContact O-N 3.27Å; E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.28Å
57	H	97.3	Very high	97.1	Very high	45 Å²	45	71.2 Å²	71.2	21%	0.208	37%	0.369	C	S	.	.	H	α-helix	trans	-58.1	-40.5	175.4	-83.7	-59.1	0	0	0	112.1	D53 I54 V60 I61 L93 K97	D53-H57 WeakPolarHBondContact O-CB 3.48Å; D53-H57 PolarHBondContact O-CD2 3.48Å; D53-H57 PolarHBondContact O-N 3.43Å; I54-H57 PolarHBondContact O-N 3.13Å; H57-V60 PolarHBondContact O-N 2.98Å; H57-I61 WeakPolarHBondContact O-CB 3.4Å; H57-I61 WeakPolarHBondContact O-CD1 3.37Å; H57-I61 WeakPolarHBondContact O-CG1 3.49Å; H57-I61 PolarHBondContact O-N 3.38Å; H57-L93 WeakPolarHBondContact ND1-CD2 3.24Å; H57-K97 HydrophobicContact CB-CB 4.23Å
58	S	97.8	Very high	97.1	Very high	21 Å²	21	75.5 Å²	75.5	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-47.3	178.5	-58.7	0	0	0	0	111.5	I54 N55 E56 V60 I61 D62 K97	I54-S58 WeakPolarHBondContact O-CB 3.4Å; I54-S58 PolarHBondContact O-N 2.97Å; I54-S58 PolarHBondContact O-OG 2.89Å; N55-S58 WeakPolarHBondContact O-CB 3.31Å; N55-S58 PolarHBondContact O-N 3.07Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.18Å; S58-V60 VanDerWaalsContact C-N 3.34Å; S58-V60 PolarHBondContact O-N 3.42Å; S58-I61 PolarHBondContact O-N 2.83Å; S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.47Å; S58-K97 VanDerWaalsContact OG-CE 3.27Å; S58-K97 WeakPolarHBondContact OG-CE 3.37Å; S58-K97 PolarHBondContact OG-NZ 3.36Å
59	L	97.8	Very high	97	Very high	119 Å²	119	77.2 Å²	77.2	62%	0.623	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-43.9	177.5	-178.9	62.7	0	0	0	111.9	N55 E56 D62 T63	N55-L59 PolarHBondContact O-N 3.47Å; E56-L59 PolarHBondContact O-N 3.27Å; L59-D62 PolarHBondContact O-N 2.97Å; L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.37Å; L59-T63 VanDerWaalsContact O-N 3.09Å; L59-T63 PolarHBondContact O-OG1 3.44Å
60	V	96.3	Very high	96.9	Very high	64 Å²	64	76.7 Å²	76.7	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-65.9	-41.8	178.3	177.7	0	0	0	0	111.3	E56 H57 S58 T63 L64 L93	E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.28Å; H57-V60 PolarHBondContact O-N 2.98Å; S58-V60 VanDerWaalsContact C-N 3.34Å; S58-V60 PolarHBondContact O-N 3.42Å; V60-T63 PolarHBondContact O-OG1 2.82Å; V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.37Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; V60-L93 HydrophobicContact CG1-CD1 3.72Å
61	I	97.3	Very high	96.9	Very high	6 Å²	6	84 Å²	84	3%	0.031	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-46.6	177.3	-71.6	161.7	0	0	0	110.7	H57 S58 T63 L64 K65 L93 E94 K97	H57-I61 WeakPolarHBondContact O-CB 3.4Å; H57-I61 WeakPolarHBondContact O-CD1 3.37Å; H57-I61 WeakPolarHBondContact O-CG1 3.49Å; H57-I61 PolarHBondContact O-N 3.38Å; S58-I61 PolarHBondContact O-N 2.83Å; I61-T63 VanDerWaalsContact C-N 3.33Å; I61-T63 PolarHBondContact O-N 3.45Å; I61-L64 PolarHBondContact O-N 3.18Å; I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 VanDerWaalsContact CG2-CE 3.48Å; I61-K65 HydrophobicContact CG2-CG 4.44Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 3.05Å; I61-L93 HydrophobicContact CD1-CB 4.07Å; I61-L93 HydrophobicContact CG1-CB 3.73Å; I61-L93 HydrophobicContact CG1-CD1 4.41Å; I61-E94 HydrophobicContact CD1-CG 3.97Å; I61-E94 HydrophobicContact CG1-CG 4.33Å; I61-E94 HydrophobicContact CG2-CG 4.21Å; I61-K97 HydrophobicContact CD1-CB 4.39Å; I61-K97 HydrophobicContact CD1-CD 4.02Å
62	D	97.6	Very high	96.8	Very high	88 Å²	88	85 Å²	85	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-40.2	-177.1	-68.9	-20.2	0	0	0	111.5	S58 L59 K65	S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.47Å; L59-D62 PolarHBondContact O-N 2.97Å; D62-K65 IonicContact OD1-NZ 3.32Å
63	T	95.8	Very high	96.7	Very high	78 Å²	78	80.5 Å²	80.5	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-39	174	57.4	0	0	0	0	112.8	L59 V60 I61 V67	L59-T63 WeakPolarHBondContact O-CG2 3.43Å; L59-T63 PolarHBondContact O-N 3.37Å; L59-T63 VanDerWaalsContact O-N 3.09Å; L59-T63 PolarHBondContact O-OG1 3.44Å; V60-T63 PolarHBondContact O-OG1 2.82Å; I61-T63 VanDerWaalsContact C-N 3.33Å; I61-T63 PolarHBondContact O-N 3.45Å; T63-V67 WeakPolarHBondContact O-CG2 3.34Å
64	L	95.4	Very high	96.6	Very high	28 Å²	28	83.2 Å²	83.2	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-75.3	-22.7	-178.7	-74	179.7	0	0	0	113.9	V60 I61 E66 V67 V86 V89 L90 L93	V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.37Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.39Å; V60-L64 PolarHBondContact O-N 3.33Å; I61-L64 PolarHBondContact O-N 3.18Å; L64-E66 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.5Å; L64-V67 VanDerWaalsContact O-N 3.16Å; L64-V86 HydrophobicContact CB-CG1 4.48Å; L64-V86 HydrophobicContact CD2-CG2 4.28Å; L64-V89 HydrophobicContact CD1-CG1 4.38Å; L64-L90 HydrophobicContact CB-CD1 3.51Å; L64-L93 HydrophobicContact CD1-CD1 3.69Å
65	K	94.9	Very high	96.3	Very high	118 Å²	118	88.6 Å²	88.6	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-29.2	175.6	-80.9	171.5	179.7	163.8	0	113.1	I61 D62 V67 L90	I61-K65 HydrophobicContact CG2-CD 4.19Å; I61-K65 VanDerWaalsContact CG2-CE 3.48Å; I61-K65 HydrophobicContact CG2-CG 4.44Å; I61-K65 WeakPolarHBondContact O-CG 3.41Å; I61-K65 PolarHBondContact O-N 3.05Å; D62-K65 IonicContact OD1-NZ 3.32Å; K65-V67 VanDerWaalsContact C-N 3.31Å; K65-L90 HydrophobicContact CG-CD1 4.15Å; K65-L90 HydrophobicContact CG-CD2 4.39Å
66	E	94.8	Very high	96	Very high	180 Å²	180	89.1 Å²	89.1	84%	0.841	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.4	178.7	-59.1	-175.7	168.9	0	0	112.7	L64	L64-E66 PolarHBondContact O-N 2.98Å
67	V	96.2	Very high	95.8	Very high	59 Å²	59	86 Å²	86	36%	0.358	44%	0.435	S	S	.	.	S	Bend	trans	-94.1	145.3	-177.4	-178.6	0	0	0	0	110.6	T63 L64 K65 R71 V86	T63-V67 WeakPolarHBondContact O-CG2 3.34Å; L64-V67 PolarHBondContact O-N 3.5Å; L64-V67 VanDerWaalsContact O-N 3.16Å; K65-V67 VanDerWaalsContact C-N 3.31Å; V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.18Å; V67-V86 HydrophobicContact CG1-CG2 4.02Å
68	D	96.9	Very high	95.6	Very high	94 Å²	94	88.2 Å²	88.2	50%	0.503	47%	0.47	S	S	.	.			trans	-53.5	125.7	175.4	-175.3	-69.1	0	0	0	111.8	S70 R71	D68-S70 PolarHBondContact O-N 3.06Å; D68-S70 VanDerWaalsContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CA 3.36Å; D68-S70 VanDerWaalsContact OD1-CB 3.26Å; D68-S70 WeakPolarHBondContact OD1-CB 3.49Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 PolarHBondContact OD1-OG 3.2Å; D68-R71 HydrophobicContact CB-CB 4.38Å; D68-R71 WeakPolarHBondContact O-CB 3.46Å; D68-R71 PolarHBondContact O-N 3.36Å; D68-R71 PolarHBondContact OD1-N 2.96Å
69	P	96.4	Very high	95.5	Very high	77 Å²	77	90.3 Å²	90.3	50%	0.5	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.2	-176.8	-25.5	34.2	0	0	0	115.1	R71 V86 K87	P69-R71 VanDerWaalsContact C-N 3.35Å; P69-V86 PolarHBondContact O-N 3.4Å; P69-K87 HydrophobicContact CB-CB 4Å; P69-K87 WeakPolarHBondContact O-CB 3.43Å; P69-K87 WeakPolarHBondContact O-CG 3.49Å; P69-K87 PolarHBondContact O-N 3.1Å
70	S	96.6	Very high	95.4	Very high	86 Å²	86	89.3 Å²	89.3	60%	0.601	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.9	178	76.3	0	0	0	0	113.2	D68	D68-S70 PolarHBondContact O-N 3.06Å; D68-S70 VanDerWaalsContact O-N 3.16Å; D68-S70 WeakPolarHBondContact OD1-CA 3.36Å; D68-S70 VanDerWaalsContact OD1-CB 3.26Å; D68-S70 WeakPolarHBondContact OD1-CB 3.49Å; D68-S70 PolarHBondContact OD1-N 3.18Å; D68-S70 PolarHBondContact OD1-OG 3.2Å
71	R	97.2	Very high	95.4	Very high	171 Å²	171	91.6 Å²	91.6	65%	0.645	50%	0.503	S	S	*	.	S	Bend	trans	-61.2	138.2	177.8	-168.6	66.5	176.5	163.4	-0.5	110.4	V67 D68 P69 T85 V86	V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.18Å; D68-R71 HydrophobicContact CB-CB 4.38Å; D68-R71 WeakPolarHBondContact O-CB 3.46Å; D68-R71 PolarHBondContact O-N 3.36Å; D68-R71 PolarHBondContact OD1-N 2.96Å; P69-R71 VanDerWaalsContact C-N 3.35Å; R71-T85 WeakPolarHBondContact O-CA 3.35Å; R71-V86 HydrophobicContact CB-CG2 4.16Å; R71-V86 PolarHBondContact O-N 3.25Å
72	K	96.9	Very high	95.3	Very high	119 Å²	119	93.6 Å²	93.6	52%	0.517	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.1	174.1	-63.4	-175.9	175.1	-148.5	0	110.4	F74 E83 R84	K72-F74 HydrophobicContact CB-CE2 4.12Å; K72-F74 HydrophobicContact CB-CZ 4.31Å; K72-F74 HydrophobicContact CD-CZ 4.46Å; K72-E83 HydrophobicContact CD-CG 4.4Å; K72-E83 VanDerWaalsContact CD-OE1 3.25Å; K72-E83 WeakPolarHBondContact CD-OE1 3.24Å; K72-E83 WeakPolarHBondContact CE-OE1 3.37Å; K72-E83 IonicContact NZ-OE1 2.66Å; K72-E83 PolarHBondContact NZ-OE1 3.11Å; K72-E83 IonicContact NZ-OE2 3.62Å; K72-E83 PolarHBondContact NZ-OE2 2.88Å; K72-R84 CarbonylContact C-O 3.56Å; K72-R84 WeakPolarHBondContact CA-O 3.46Å
73	C	95.7	Very high	95.2	Very high	26 Å²	26	94.3 Å²	94.3	18%	0.176	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144	174.3	-176.4	0	0	0	0	108.2	R84 V86 V89	C73-R84 PolarHBondContact N-O 2.96Å; C73-R84 CarbonylContact O-C 3.57Å; C73-R84 PolarHBondContact O-N 2.96Å; C73-V86 HydrophobicContact CB-CG2 4.47Å; C73-V89 HydrophobicContact CB-CG2 4.05Å
74	F	95.1	Very high	95.2	Very high	108 Å²	108	96.1 Å²	96.1	47%	0.474	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.5	-179.8	-62.1	-88.4	0	0	0	109.7	K72 L81 V82 E83	K72-F74 HydrophobicContact CB-CE2 4.12Å; K72-F74 HydrophobicContact CB-CZ 4.31Å; K72-F74 HydrophobicContact CD-CZ 4.46Å; F74-L81 HydrophobicContact CB-CD2 4.24Å; F74-V82 WeakPolarHBondContact CA-O 3.33Å; F74-E83 HydrophobicContact CD1-CB 4.01Å; F74-E83 HydrophobicContact CD1-CG 4.3Å; F74-E83 HydrophobicContact CE1-CB 3.71Å; F74-E83 HydrophobicContact CE1-CG 3.69Å; F74-E83 HydrophobicContact CZ-CG 4.13Å
75	R	91.6	Very high	95.3	Very high	138 Å²	138	96 Å²	96	52%	0.521	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.1	175.8	-175.8	177.7	65.6	114.8	-0.7	109.8	V77 V82	R75-V77 HydrophobicContact CG-CG2 4.17Å; R75-V82 PolarHBondContact N-O 3.41Å; R75-V82 PolarHBondContact O-N 3.03Å
76	L	91.9	Very high	95.4	Very high	118 Å²	118	90.8 Å²	90.8	62%	0.618	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	174	-172.5	66.2	0	0	0	110.3	L81	L76-L81 HydrophobicContact CB-CD2 4Å; L76-L81 HydrophobicContact CD1-CD2 3.92Å; L76-L81 HydrophobicContact CD1-CG 4.25Å
77	V	92.3	Very high	95.5	Very high	63 Å²	63	88.5 Å²	88.5	38%	0.382	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	114.8	176.3	-174.2	0	0	0	0	108.5	R75 G79 V80 V82	R75-V77 HydrophobicContact CG-CG2 4.17Å; V77-G79 PolarHBondContact O-N 2.82Å; V77-G79 VanDerWaalsContact O-N 3.11Å; V77-V80 PolarHBondContact N-O 2.86Å; V77-V80 PolarHBondContact O-N 3.26Å; V77-V82 HydrophobicContact CG2-CG2 4.22Å
78	G	93.6	Very high	95.4	Very high	91 Å²	91	90.1 Å²	90.1	94%	0.938	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.5	177.3	0	0	0	0	0	114.3
79	G	94.9	Very high	95.3	Very high	66 Å²	66	86.8 Å²	86.8	68%	0.68	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-3.7	-177.7	0	0	0	0	0	115.6	V77	V77-G79 PolarHBondContact O-N 2.82Å; V77-G79 VanDerWaalsContact O-N 3.11Å
80	V	95.9	Very high	95.3	Very high	98 Å²	98	84.6 Å²	84.6	59%	0.594	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.5	176.8	-177.4	0	0	0	0	110.4	V77	V77-V80 PolarHBondContact N-O 2.86Å; V77-V80 PolarHBondContact O-N 3.26Å
81	L	95.9	Very high	95.3	Very high	111 Å²	111	83.8 Å²	83.8	58%	0.581	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.3	172.5	-70.5	173.2	0	0	0	110.3	F74 L76	F74-L81 HydrophobicContact CB-CD2 4.24Å; L76-L81 HydrophobicContact CB-CD2 4Å; L76-L81 HydrophobicContact CD1-CD2 3.92Å; L76-L81 HydrophobicContact CD1-CG 4.25Å
82	V	95.7	Very high	95.2	Very high	49 Å²	49	78 Å²	78	30%	0.297	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.4	175.3	-176.9	0	0	0	0	108.9	F74 R75 V77	F74-V82 WeakPolarHBondContact CA-O 3.33Å; R75-V82 PolarHBondContact N-O 3.41Å; R75-V82 PolarHBondContact O-N 3.03Å; V77-V82 HydrophobicContact CG2-CG2 4.22Å
83	E	96	Very high	95.2	Very high	103 Å²	103	73.6 Å²	73.6	48%	0.481	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133	174.1	-171.1	176.5	139.8	0	0	110.9	K72 F74	K72-E83 HydrophobicContact CD-CG 4.4Å; K72-E83 VanDerWaalsContact CD-OE1 3.25Å; K72-E83 WeakPolarHBondContact CD-OE1 3.24Å; K72-E83 WeakPolarHBondContact CE-OE1 3.37Å; K72-E83 IonicContact NZ-OE1 2.66Å; K72-E83 PolarHBondContact NZ-OE1 3.11Å; K72-E83 IonicContact NZ-OE2 3.62Å; K72-E83 PolarHBondContact NZ-OE2 2.88Å; F74-E83 HydrophobicContact CD1-CB 4.01Å; F74-E83 HydrophobicContact CD1-CG 4.3Å; F74-E83 HydrophobicContact CE1-CB 3.71Å; F74-E83 HydrophobicContact CE1-CG 3.69Å; F74-E83 HydrophobicContact CZ-CG 4.13Å
84	R	95.8	Very high	95.2	Very high	115 Å²	115	76.2 Å²	76.2	43%	0.434	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-179.2	175.1	-71	-73.1	-179.5	127.4	-3.1	108.6	K72 C73 E88 V89	K72-R84 CarbonylContact C-O 3.56Å; K72-R84 WeakPolarHBondContact CA-O 3.46Å; C73-R84 PolarHBondContact N-O 2.96Å; C73-R84 CarbonylContact O-C 3.57Å; C73-R84 PolarHBondContact O-N 2.96Å; R84-E88 WeakPolarHBondContact CD-OE2 3.48Å; R84-V89 HydrophobicContact CB-CG2 3.57Å; R84-V89 HydrophobicContact CG-CG2 4.18Å
85	T	97.3	Very high	95.4	Very high	27 Å²	27	74.7 Å²	74.7	17%	0.166	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	158.6	167.8	51.8	0	0	0	0	111.7	R71 K87 E88 V89	R71-T85 WeakPolarHBondContact O-CA 3.35Å; T85-K87 PolarHBondContact O-N 3.42Å; T85-K87 VanDerWaalsContact OG1-CE 3.31Å; T85-K87 WeakPolarHBondContact OG1-CE 3.41Å; T85-K87 WeakPolarHBondContact OG1-CG 3.34Å; T85-E88 PolarHBondContact N-OE2 3.22Å; T85-E88 PolarHBondContact O-N 2.84Å; T85-E88 WeakPolarHBondContact OG1-CG 3.47Å; T85-E88 PolarHBondContact OG1-OE2 3.33Å; T85-E88 VanDerWaalsContact OG1-OE2 3.12Å; T85-V89 WeakPolarHBondContact O-CG2 3.27Å; T85-V89 PolarHBondContact O-N 3.37Å
86	V	96.7	Very high	95.6	Very high	7 Å²	7	71.5 Å²	71.5	4%	0.042	41%	0.414	C	S	.	.	H	α-helix	trans	-55.9	-41.7	176.9	172.6	0	0	0	0	111.1	L64 V67 P69 R71 C73 E88 V89 L90	L64-V86 HydrophobicContact CB-CG1 4.48Å; L64-V86 HydrophobicContact CD2-CG2 4.28Å; V67-V86 HydrophobicContact CG1-CG2 4.02Å; P69-V86 PolarHBondContact O-N 3.4Å; R71-V86 HydrophobicContact CB-CG2 4.16Å; R71-V86 PolarHBondContact O-N 3.25Å; C73-V86 HydrophobicContact CB-CG2 4.47Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.14Å; V86-V89 PolarHBondContact O-N 2.82Å; V86-V89 VanDerWaalsContact O-N 3.14Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.35Å
87	K	96.3	Very high	95.9	Very high	132 Å²	132	69.1 Å²	69.1	57%	0.574	40%	0.399	S	S	*	.	H	α-helix	trans	-58.5	-24.6	175.7	65.7	176.7	-176	178.6	0	114.6	P69 T85 P91	P69-K87 HydrophobicContact CB-CB 4Å; P69-K87 WeakPolarHBondContact O-CB 3.43Å; P69-K87 WeakPolarHBondContact O-CG 3.49Å; P69-K87 PolarHBondContact O-N 3.1Å; T85-K87 PolarHBondContact O-N 3.42Å; T85-K87 VanDerWaalsContact OG1-CE 3.31Å; T85-K87 WeakPolarHBondContact OG1-CE 3.41Å; T85-K87 WeakPolarHBondContact OG1-CG 3.34Å; K87-P91 VanDerWaalsContact O-CD 3.24Å; K87-P91 WeakPolarHBondContact O-CD 3.18Å; K87-P91 WeakPolarHBondContact O-CG 3.38Å
88	E	94.6	Very high	96.2	Very high	93 Å²	93	70.8 Å²	70.8	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-92.2	-32	177.4	-68.3	165.8	161.2	0	0	112	R84 T85 V86	R84-E88 WeakPolarHBondContact CD-OE2 3.48Å; T85-E88 PolarHBondContact N-OE2 3.22Å; T85-E88 PolarHBondContact O-N 2.84Å; T85-E88 WeakPolarHBondContact OG1-CG 3.47Å; T85-E88 PolarHBondContact OG1-OE2 3.33Å; T85-E88 VanDerWaalsContact OG1-OE2 3.12Å; V86-E88 PolarHBondContact O-N 2.95Å; V86-E88 VanDerWaalsContact O-N 3.14Å
89	V	95.3	Very high	96.4	Very high	24 Å²	24	71.5 Å²	71.5	15%	0.145	38%	0.381	C	S	.	.	H	α-helix	trans	-83.4	-40.3	-175.5	174.1	0	0	0	0	111.7	L64 C73 R84 T85 V86 A92 L93	L64-V89 HydrophobicContact CD1-CG1 4.38Å; C73-V89 HydrophobicContact CB-CG2 4.05Å; R84-V89 HydrophobicContact CB-CG2 3.57Å; R84-V89 HydrophobicContact CG-CG2 4.18Å; T85-V89 WeakPolarHBondContact O-CG2 3.27Å; T85-V89 PolarHBondContact O-N 3.37Å; V86-V89 PolarHBondContact O-N 2.82Å; V86-V89 VanDerWaalsContact O-N 3.14Å; V89-A92 WeakPolarHBondContact O-CB 3.39Å; V89-A92 PolarHBondContact O-N 2.81Å; V89-A92 VanDerWaalsContact O-N 3.16Å; V89-L93 HydrophobicContact CG1-CD1 3.79Å; V89-L93 HydrophobicContact CG1-CG 4.08Å; V89-L93 PolarHBondContact O-N 3.05Å
90	L	95.9	Very high	96.5	Very high	32 Å²	32	69.7 Å²	69.7	17%	0.168	36%	0.356	C	S	.	.	H	α-helix	trans	-57.3	-49.7	-176.9	-161	104.9	0	0	0	112.3	L64 K65 V86 A92 L93 E94	L64-L90 HydrophobicContact CB-CD1 3.51Å; K65-L90 HydrophobicContact CG-CD1 4.15Å; K65-L90 HydrophobicContact CG-CD2 4.39Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.35Å; L90-A92 VanDerWaalsContact C-N 3.27Å; L90-A92 PolarHBondContact O-N 3Å; L90-L93 PolarHBondContact O-N 3.2Å; L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å
91	P	96.4	Very high	96.6	Very high	69 Å²	69	66.9 Å²	66.9	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-31.3	179.3	-19.6	33.9	0	0	0	112.7	K87 N95	K87-P91 VanDerWaalsContact O-CD 3.24Å; K87-P91 WeakPolarHBondContact O-CD 3.18Å; K87-P91 WeakPolarHBondContact O-CG 3.38Å; P91-N95 WeakPolarHBondContact O-CB 3.49Å; P91-N95 PolarHBondContact O-N 3.39Å
92	A	95.1	Very high	96.8	Very high	49 Å²	49	66.6 Å²	66.6	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-39.7	177	0	0	0	0	0	111.7	V89 L90 N96	V89-A92 WeakPolarHBondContact O-CB 3.39Å; V89-A92 PolarHBondContact O-N 2.81Å; V89-A92 VanDerWaalsContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.27Å; L90-A92 PolarHBondContact O-N 3Å; A92-N96 WeakPolarHBondContact O-CB 3.33Å; A92-N96 PolarHBondContact O-N 2.91Å; A92-N96 PolarHBondContact O-ND2 3.35Å
93	L	96.3	Very high	96.9	Very high	26 Å²	26	67.7 Å²	67.7	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-43.7	174.6	-70.7	171	0	0	0	111.7	H57 V60 I61 L64 V89 L90 N96 K97	H57-L93 WeakPolarHBondContact ND1-CD2 3.24Å; V60-L93 HydrophobicContact CG1-CD1 3.72Å; I61-L93 HydrophobicContact CD1-CB 4.07Å; I61-L93 HydrophobicContact CG1-CB 3.73Å; I61-L93 HydrophobicContact CG1-CD1 4.41Å; L64-L93 HydrophobicContact CD1-CD1 3.69Å; V89-L93 HydrophobicContact CG1-CD1 3.79Å; V89-L93 HydrophobicContact CG1-CG 4.08Å; V89-L93 PolarHBondContact O-N 3.05Å; L90-L93 PolarHBondContact O-N 3.2Å; L93-N96 PolarHBondContact O-N 3.05Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 3.15Å
94	E	97.4	Very high	97	Very high	82 Å²	82	63.3 Å²	63.3	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-45.3	177	-71.3	178.9	159.4	0	0	111.7	I61 L90 K97 E98	I61-E94 HydrophobicContact CD1-CG 3.97Å; I61-E94 HydrophobicContact CG1-CG 4.33Å; I61-E94 HydrophobicContact CG2-CG 4.21Å; L90-E94 WeakPolarHBondContact O-CG 3.48Å; L90-E94 PolarHBondContact O-N 3.19Å; E94-K97 PolarHBondContact O-N 3.5Å; E94-E98 PolarHBondContact O-N 3.26Å
95	N	97.9	Very high	97.1	Very high	75 Å²	75	63.8 Å²	63.8	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-45.1	177	-166.8	-77.6	0	0	0	111.9	P91 K97 E98 Q99	P91-N95 WeakPolarHBondContact O-CB 3.49Å; P91-N95 PolarHBondContact O-N 3.39Å; N95-K97 PolarHBondContact O-N 3.47Å; N95-E98 PolarHBondContact O-N 2.94Å; N95-Q99 WeakPolarHBondContact O-CG 3.25Å; N95-Q99 PolarHBondContact O-N 3.11Å; N95-Q99 PolarHBondContact OD1-NE2 3.26Å
96	N	96.8	Very high	97.1	Very high	71 Å²	71	66 Å²	66	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-44.6	178	-72	-16.1	0	0	0	111.4	A92 L93 E98 Q99 I100	A92-N96 WeakPolarHBondContact O-CB 3.33Å; A92-N96 PolarHBondContact O-N 2.91Å; A92-N96 PolarHBondContact O-ND2 3.35Å; L93-N96 PolarHBondContact O-N 3.05Å; N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 2.88Å; N96-Q99 PolarHBondContact O-N 2.81Å; N96-I100 VanDerWaalsContact O-CG1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.48Å; N96-I100 PolarHBondContact O-N 3.44Å
97	K	97.8	Very high	97.2	Very high	69 Å²	69	66.6 Å²	66.6	30%	0.3	34%	0.344	S	S	.	.	H	α-helix	trans	-56.4	-47	174.6	177.5	-178.7	164.7	176.6	0	111	I54 H57 S58 I61 L93 E94 N95 Q99 I100 S101	I54-K97 HydrophobicContact CG2-CG 4.39Å; H57-K97 HydrophobicContact CB-CB 4.23Å; S58-K97 VanDerWaalsContact OG-CE 3.27Å; S58-K97 WeakPolarHBondContact OG-CE 3.37Å; S58-K97 PolarHBondContact OG-NZ 3.36Å; I61-K97 HydrophobicContact CD1-CB 4.39Å; I61-K97 HydrophobicContact CD1-CD 4.02Å; L93-K97 WeakPolarHBondContact O-CB 3.36Å; L93-K97 PolarHBondContact O-N 3.15Å; E94-K97 PolarHBondContact O-N 3.5Å; N95-K97 PolarHBondContact O-N 3.47Å; K97-Q99 PolarHBondContact O-N 2.79Å; K97-I100 PolarHBondContact O-N 2.86Å; K97-S101 PolarHBondContact O-N 2.93Å; K97-S101 PolarHBondContact O-OG 3.26Å; K97-S101 VanDerWaalsContact O-OG 3.12Å
98	E	98.2	Very high	97.2	Very high	97 Å²	97	62.8 Å²	62.8	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-42.1	178.1	-168.1	-165.6	155.7	0	0	112.2	E94 N95 N96 S101 K102	E94-E98 PolarHBondContact O-N 3.26Å; N95-E98 PolarHBondContact O-N 2.94Å; N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 2.88Å; E98-S101 WeakPolarHBondContact O-CB 3.44Å; E98-S101 PolarHBondContact O-N 2.71Å; E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 2.98Å; E98-K102 VanDerWaalsContact O-N 3.11Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 2.69Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å
99	Q	98.2	Very high	97.4	Very high	107 Å²	107	62.8 Å²	62.8	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-44	176	-70.9	-179.5	1.6	0	0	111.6	N95 N96 K97 S101 K102 V103	N95-Q99 WeakPolarHBondContact O-CG 3.25Å; N95-Q99 PolarHBondContact O-N 3.11Å; N95-Q99 PolarHBondContact OD1-NE2 3.26Å; N96-Q99 PolarHBondContact O-N 2.81Å; K97-Q99 PolarHBondContact O-N 2.79Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; Q99-S101 PolarHBondContact O-N 3.42Å; Q99-K102 PolarHBondContact O-N 3.03Å; Q99-V103 WeakPolarHBondContact O-CG2 3.4Å; Q99-V103 PolarHBondContact O-N 3.43Å
100	I	97.9	Very high	97.5	Very high	28 Å²	28	66.7 Å²	66.7	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-43.4	176.8	-64.9	165.4	0	0	0	110.2	L50 D53 I54 N96 K97 K102 V103 I104	L50-I100 HydrophobicContact CB-CG2 3.87Å; L50-I100 HydrophobicContact CD2-CG2 4.15Å; L50-I100 HydrophobicContact CG-CG2 4.45Å; D53-I100 HydrophobicContact CB-CD1 4.35Å; I54-I100 HydrophobicContact CD1-CB 4.49Å; I54-I100 HydrophobicContact CD1-CG2 3.97Å; I54-I100 HydrophobicContact CG1-CB 4.15Å; I54-I100 HydrophobicContact CG1-CG2 3.67Å; N96-I100 VanDerWaalsContact O-CG1 3.27Å; N96-I100 WeakPolarHBondContact O-CG1 3.48Å; N96-I100 PolarHBondContact O-N 3.44Å; K97-I100 PolarHBondContact O-N 2.86Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.48Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3.24Å; I100-V103 VanDerWaalsContact O-N 3.1Å; I100-I104 HydrophobicContact CG2-CD1 4.11Å; I100-I104 WeakPolarHBondContact O-CG1 3.42Å; I100-I104 PolarHBondContact O-N 2.89Å
101	S	97.9	Very high	97.5	Very high	38 Å²	38	67.3 Å²	67.3	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-55.9	-45.7	175.4	-61	0	0	0	0	112.3	I54 K97 E98 Q99 V103 I104 E105	I54-S101 WeakPolarHBondContact CD1-OG 3.35Å; K97-S101 PolarHBondContact O-N 2.93Å; K97-S101 PolarHBondContact O-OG 3.26Å; K97-S101 VanDerWaalsContact O-OG 3.12Å; E98-S101 WeakPolarHBondContact O-CB 3.44Å; E98-S101 PolarHBondContact O-N 2.71Å; Q99-S101 VanDerWaalsContact C-N 3.34Å; Q99-S101 PolarHBondContact O-N 3.42Å; S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 2.85Å; S101-I104 PolarHBondContact O-N 3.13Å; S101-E105 WeakPolarHBondContact O-CG 3.35Å; S101-E105 PolarHBondContact O-N 3.35Å
102	K	98.2	Very high	97.5	Very high	106 Å²	106	69.6 Å²	69.6	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-36.2	177.5	-70.2	172.9	-175.3	168.1	0	112.5	E98 Q99 I100 E105 T106	E98-K102 WeakPolarHBondContact O-CG 3.39Å; E98-K102 PolarHBondContact O-N 2.98Å; E98-K102 VanDerWaalsContact O-N 3.11Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.41Å; E98-K102 IonicContact OE1-NZ 2.69Å; E98-K102 PolarHBondContact OE1-NZ 3.42Å; Q99-K102 PolarHBondContact O-N 3.03Å; I100-K102 VanDerWaalsContact C-N 3.33Å; I100-K102 PolarHBondContact O-N 3.48Å; K102-E105 PolarHBondContact O-N 3.3Å; K102-T106 PolarHBondContact O-N 3.34Å; K102-T106 PolarHBondContact O-OG1 2.87Å
103	V	98.1	Very high	97.6	Very high	71 Å²	71	69.4 Å²	69.4	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-42.8	175.2	174.2	0	0	0	0	110.5	L50 Q99 I100 S101 T106 I107	L50-V103 HydrophobicContact CD1-CB 4.48Å; L50-V103 HydrophobicContact CD1-CG1 3.75Å; Q99-V103 WeakPolarHBondContact O-CG2 3.4Å; Q99-V103 PolarHBondContact O-N 3.43Å; I100-V103 WeakPolarHBondContact O-CB 3.48Å; I100-V103 PolarHBondContact O-N 3.24Å; I100-V103 VanDerWaalsContact O-N 3.1Å; S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 2.85Å; V103-T106 WeakPolarHBondContact O-CB 3.28Å; V103-T106 PolarHBondContact O-N 3.02Å; V103-I107 HydrophobicContact CG1-CD1 3.92Å; V103-I107 HydrophobicContact CG1-CG1 4.41Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 3.2Å
104	I	98.1	Very high	97.7	Very high	12 Å²	12	69.8 Å²	69.8	6%	0.062	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-45.1	175.8	-66.8	167.5	0	0	0	111.1	L50 E51 I54 I100 S101 T106 I107 N108	L50-I104 HydrophobicContact CB-CD1 3.74Å; L50-I104 HydrophobicContact CB-CG1 3.62Å; L50-I104 HydrophobicContact CD1-CG1 4.13Å; E51-I104 HydrophobicContact CG-CD1 3.9Å; I54-I104 HydrophobicContact CD1-CD1 3.37Å; I54-I104 HydrophobicContact CG1-CD1 4.28Å; I100-I104 HydrophobicContact CG2-CD1 4.11Å; I100-I104 WeakPolarHBondContact O-CG1 3.42Å; I100-I104 PolarHBondContact O-N 2.89Å; S101-I104 PolarHBondContact O-N 3.13Å; I104-T106 VanDerWaalsContact C-N 3.25Å; I104-T106 PolarHBondContact O-N 2.92Å; I104-I107 PolarHBondContact O-N 2.94Å; I104-N108 WeakPolarHBondContact O-CB 3.43Å; I104-N108 PolarHBondContact O-N 3.37Å; I104-N108 PolarHBondContact O-ND2 3.47Å
105	E	98.2	Very high	97.6	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	35%	0.349	S	S	*	.	H	α-helix	trans	-57.2	-41	174.9	-72.3	174.3	-174.2	0	0	112	S101 K102 N108 T109	S101-E105 WeakPolarHBondContact O-CG 3.35Å; S101-E105 PolarHBondContact O-N 3.35Å; K102-E105 PolarHBondContact O-N 3.3Å; E105-N108 PolarHBondContact O-N 2.96Å; E105-T109 PolarHBondContact O-N 3.3Å; E105-T109 PolarHBondContact O-OG1 3.41Å
106	T	98.2	Very high	97.5	Very high	74 Å²	74	71 Å²	71	45%	0.454	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-46.4	176.2	-56.4	0	0	0	0	111.3	K102 V103 I104 N108 T109 Q110	K102-T106 PolarHBondContact O-N 3.34Å; K102-T106 PolarHBondContact O-OG1 2.87Å; V103-T106 WeakPolarHBondContact O-CB 3.28Å; V103-T106 PolarHBondContact O-N 3.02Å; I104-T106 VanDerWaalsContact C-N 3.25Å; I104-T106 PolarHBondContact O-N 2.92Å; T106-N108 VanDerWaalsContact C-N 3.33Å; T106-N108 PolarHBondContact O-N 3.12Å; T106-T109 PolarHBondContact O-N 3.39Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.96Å
107	I	97.9	Very high	97.5	Very high	20 Å²	20	71.9 Å²	71.9	10%	0.103	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-43	177.1	-68.6	168.9	0	0	0	110.5	M43 K46 A47 L50 V103 I104 T109 Q110 M111	M43-I107 HydrophobicContact CB-CG2 3.98Å; M43-I107 WeakPolarHBondContact O-CG2 3.47Å; K46-I107 HydrophobicContact CG-CD1 4.17Å; A47-I107 HydrophobicContact CB-CG2 4Å; L50-I107 HydrophobicContact CD1-CD1 3.79Å; V103-I107 HydrophobicContact CG1-CD1 3.92Å; V103-I107 HydrophobicContact CG1-CG1 4.41Å; V103-I107 WeakPolarHBondContact O-CG1 3.39Å; V103-I107 PolarHBondContact O-N 3.2Å; I104-I107 PolarHBondContact O-N 2.94Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.88Å; I107-Q110 PolarHBondContact O-N 2.99Å; I107-M111 VanDerWaalsContact O-CB 3.25Å; I107-M111 WeakPolarHBondContact O-CB 3.48Å; I107-M111 PolarHBondContact O-N 3.36Å
108	N	97.5	Very high	97.4	Very high	51 Å²	51	69.2 Å²	69.2	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-42.5	177.5	-79.3	-28.7	0	0	0	111.7	I104 E105 T106 M111 Q112	I104-N108 WeakPolarHBondContact O-CB 3.43Å; I104-N108 PolarHBondContact O-N 3.37Å; I104-N108 PolarHBondContact O-ND2 3.47Å; E105-N108 PolarHBondContact O-N 2.96Å; T106-N108 VanDerWaalsContact C-N 3.33Å; T106-N108 PolarHBondContact O-N 3.12Å; N108-M111 PolarHBondContact O-N 3.1Å; N108-Q112 WeakPolarHBondContact O-CG 3.49Å; N108-Q112 PolarHBondContact O-N 2.91Å
109	T	97.9	Very high	97.3	Very high	93 Å²	93	68.1 Å²	68.1	57%	0.571	35%	0.35	S	S	*	.	H	α-helix	trans	-62.8	-46	175.3	-57.3	0	0	0	0	111.4	E105 T106 I107 M111 Q112 A113	E105-T109 PolarHBondContact O-N 3.3Å; E105-T109 PolarHBondContact O-OG1 3.41Å; T106-T109 PolarHBondContact O-N 3.39Å; I107-T109 VanDerWaalsContact C-N 3.33Å; I107-T109 PolarHBondContact O-N 2.88Å; T109-M111 VanDerWaalsContact C-N 3.34Å; T109-M111 PolarHBondContact O-N 2.97Å; T109-Q112 PolarHBondContact O-N 3.25Å; T109-A113 PolarHBondContact O-N 3.5Å
110	Q	97.3	Very high	97.2	Very high	107 Å²	107	68.1 Å²	68.1	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176.7	-71.5	177.7	-3.1	0	0	112	M43 T106 I107 A113 K114	M43-Q110 HydrophobicContact SD-CB 3.85Å; T106-Q110 WeakPolarHBondContact O-CG 3.49Å; T106-Q110 PolarHBondContact O-N 2.96Å; I107-Q110 PolarHBondContact O-N 2.99Å; Q110-A113 PolarHBondContact O-N 2.84Å; Q110-K114 WeakPolarHBondContact O-CB 3.45Å; Q110-K114 PolarHBondContact O-N 2.86Å
111	M	96.6	Very high	97.1	Very high	45 Å²	45	68.3 Å²	68.3	22%	0.222	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-39.4	177.9	-175.5	173.5	61.4	0	0	112	Q40 M43 A44 I107 N108 T109 K114 G115	Q40-M111 HydrophobicContact CG-CG 3.91Å; M43-M111 HydrophobicContact CB-CB 4.46Å; M43-M111 HydrophobicContact CE-CB 4.43Å; A44-M111 HydrophobicContact CB-SD 3.78Å; I107-M111 VanDerWaalsContact O-CB 3.25Å; I107-M111 WeakPolarHBondContact O-CB 3.48Å; I107-M111 PolarHBondContact O-N 3.36Å; N108-M111 PolarHBondContact O-N 3.1Å; T109-M111 VanDerWaalsContact C-N 3.34Å; T109-M111 PolarHBondContact O-N 2.97Å; M111-K114 PolarHBondContact O-N 3.49Å; M111-G115 PolarHBondContact O-N 3.46Å
112	Q	96.4	Very high	96.8	Very high	117 Å²	117	71.3 Å²	71.3	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-66.3	-45.7	173.5	-72.7	178.6	16.9	0	0	111.8	N108 T109 K114 G115 R116	N108-Q112 WeakPolarHBondContact O-CG 3.49Å; N108-Q112 PolarHBondContact O-N 2.91Å; T109-Q112 PolarHBondContact O-N 3.25Å; Q112-K114 VanDerWaalsContact C-N 3.3Å; Q112-K114 PolarHBondContact O-N 3.29Å; Q112-G115 PolarHBondContact O-N 3.47Å; Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 3.08Å
113	A	97.4	Very high	96.6	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-45.6	175.2	0	0	0	0	0	110.9	T109 Q110 G115 R116 E117	T109-A113 PolarHBondContact O-N 3.5Å; Q110-A113 PolarHBondContact O-N 2.84Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 2.91Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.92Å; A113-R116 VanDerWaalsContact O-N 3.15Å; A113-E117 PolarHBondContact O-N 3.4Å
114	K	97.1	Very high	96.4	Very high	35 Å²	35	77.1 Å²	77.1	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-36	176.8	-159.4	67.9	172.3	-172.7	0	113.3	E39 Q40 M43 Q110 M111 Q112 R116 E117 L118	E39-K114 WeakPolarHBondContact OE2-CE 3.25Å; E39-K114 IonicContact OE2-NZ 2.73Å; E39-K114 PolarHBondContact OE2-NZ 3.04Å; Q40-K114 HydrophobicContact CB-CG 4.4Å; M43-K114 HydrophobicContact CE-CB 3.71Å; M43-K114 HydrophobicContact CE-CG 3.88Å; Q110-K114 WeakPolarHBondContact O-CB 3.45Å; Q110-K114 PolarHBondContact O-N 2.86Å; M111-K114 PolarHBondContact O-N 3.49Å; Q112-K114 VanDerWaalsContact C-N 3.3Å; Q112-K114 PolarHBondContact O-N 3.29Å; K114-R116 VanDerWaalsContact C-N 3.34Å; K114-E117 WeakPolarHBondContact CD-OE2 3.48Å; K114-E117 IonicContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact NZ-OE2 2.94Å; K114-E117 PolarHBondContact O-N 3.31Å; K114-L118 WeakPolarHBondContact O-CB 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.33Å; K114-L118 PolarHBondContact O-N 2.73Å
115	G	95.3	Very high	96.1	Very high	17 Å²	17	79.3 Å²	79.3	18%	0.175	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-42.3	173.2	0	0	0	0	0	112.2	M111 Q112 A113 L118 T119	M111-G115 PolarHBondContact O-N 3.46Å; Q112-G115 PolarHBondContact O-N 3.47Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 2.91Å; G115-L118 WeakPolarHBondContact O-CB 3.47Å; G115-L118 PolarHBondContact O-N 3.28Å; G115-T119 PolarHBondContact O-N 3.29Å; G115-T119 VanDerWaalsContact O-N 3.1Å; G115-T119 PolarHBondContact O-OG1 2.89Å
116	R	97.4	Very high	95.8	Very high	166 Å²	166	78.4 Å²	78.4	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-65.2	-47.1	174.5	-63.2	175.9	-166.8	-179.5	4.8	111.4	Q112 A113 K114 L118 T119 E120	Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 3.08Å; A113-R116 WeakPolarHBondContact O-CB 3.43Å; A113-R116 PolarHBondContact O-N 2.92Å; A113-R116 VanDerWaalsContact O-N 3.15Å; K114-R116 VanDerWaalsContact C-N 3.34Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 PolarHBondContact O-N 3Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 VanDerWaalsContact O-N 3.12Å; R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.47Å
117	E	96.5	Very high	95.3	Very high	89 Å²	89	75.1 Å²	75.1	42%	0.416	36%	0.359	S	S	.	.	H	α-helix	trans	-56.8	-40.3	175.3	-70.3	177.6	-164.4	0	0	111.9	M36 A113 K114 Y121	M36-E117 HydrophobicContact CE-CB 3.57Å; A113-E117 PolarHBondContact O-N 3.4Å; K114-E117 WeakPolarHBondContact CD-OE2 3.48Å; K114-E117 IonicContact NZ-OE2 3.47Å; K114-E117 PolarHBondContact NZ-OE2 2.94Å; K114-E117 PolarHBondContact O-N 3.31Å; E117-Y121 WeakPolarHBondContact O-CB 2.91Å; E117-Y121 PolarHBondContact O-N 3.26Å
118	L	95.7	Very high	94.7	Very high	12 Å²	12	81.9 Å²	81.9	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-62.7	-44.5	176.2	-87	166.7	0	0	0	112.1	F33 M36 R37 Q40 K114 G115 R116 Y121 R122	F33-L118 HydrophobicContact CD2-CD2 3.66Å; F33-L118 HydrophobicContact CE2-CD2 3.53Å; F33-L118 HydrophobicContact CZ-CD2 4.29Å; M36-L118 HydrophobicContact CB-CD2 3.53Å; M36-L118 HydrophobicContact CB-CG 4.05Å; M36-L118 HydrophobicContact CE-CD2 4.38Å; M36-L118 HydrophobicContact CE-CG 4.25Å; R37-L118 HydrophobicContact CG-CD1 4.23Å; R37-L118 HydrophobicContact CG-CD2 3.69Å; Q40-L118 HydrophobicContact CB-CD1 4.15Å; K114-L118 WeakPolarHBondContact O-CB 3.4Å; K114-L118 WeakPolarHBondContact O-CG 3.33Å; K114-L118 PolarHBondContact O-N 2.73Å; G115-L118 WeakPolarHBondContact O-CB 3.47Å; G115-L118 PolarHBondContact O-N 3.28Å; R116-L118 VanDerWaalsContact C-N 3.26Å; R116-L118 PolarHBondContact O-N 3Å; L118-Y121 PolarHBondContact O-N 3.01Å; L118-R122 VanDerWaalsContact O-CB 3.28Å; L118-R122 WeakPolarHBondContact O-CB 3.18Å; L118-R122 PolarHBondContact O-N 3.24Å
119	T	95.1	Very high	93.7	Very high	74 Å²	74	80.3 Å²	80.3	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-49.1	176.4	-59.5	0	0	0	0	111	G115 R116 Y121 R122 E123	G115-T119 PolarHBondContact O-N 3.29Å; G115-T119 VanDerWaalsContact O-N 3.1Å; G115-T119 PolarHBondContact O-OG1 2.89Å; R116-T119 PolarHBondContact O-N 2.92Å; R116-T119 VanDerWaalsContact O-N 3.12Å; T119-Y121 VanDerWaalsContact C-N 3.32Å; T119-Y121 PolarHBondContact O-N 3.46Å; T119-R122 WeakPolarHBondContact O-CB 3.4Å; T119-R122 PolarHBondContact O-N 2.87Å; T119-E123 WeakPolarHBondContact O-CG 3.3Å; T119-E123 PolarHBondContact O-N 3.47Å
120	E	96.6	Very high	92.1	Very high	108 Å²	108	79.4 Å²	79.4	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-40.9	177.8	-70.4	176	-161.7	0	0	112.1	R116 E123 R124	R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.47Å; E120-E123 PolarHBondContact O-N 2.97Å; E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.34Å
121	Y	95.3	Very high	90.3	Very high	31 Å²	31	77.6 Å²	77.6	12%	0.122	38%	0.379	C	S	.	.	H	α-helix	trans	-68	-38.7	178.1	-162.8	-90.4	0	0	0	111.7	V29 T32 F33 M36 E117 L118 T119 Y125 I127	V29-Y121 WeakPolarHBondContact CA-OH 3.23Å; V29-Y121 HydrophobicContact CG1-CE1 3.85Å; V29-Y121 WeakPolarHBondContact O-CE1 3.39Å; T32-Y121 WeakPolarHBondContact CB-OH 3.47Å; T32-Y121 HydrophobicContact CG2-CE1 4.44Å; T32-Y121 HydrophobicContact CG2-CE2 4.15Å; F33-Y121 HydrophobicContact CB-CD1 4.01Å; F33-Y121 HydrophobicContact CB-CE1 3.99Å; F33-Y121 AromaticContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CD2-CD1 3.96Å; F33-Y121 HydrophobicContact CG-CD1 4.45Å; M36-Y121 HydrophobicContact SD-CD2 4.39Å; M36-Y121 HydrophobicContact SD-CG 4.3Å; E117-Y121 WeakPolarHBondContact O-CB 2.91Å; E117-Y121 PolarHBondContact O-N 3.26Å; L118-Y121 PolarHBondContact O-N 3.01Å; T119-Y121 VanDerWaalsContact C-N 3.32Å; T119-Y121 PolarHBondContact O-N 3.46Å; Y121-Y125 HydrophobicContact CD1-CD2 4.04Å; Y121-Y125 HydrophobicContact CD2-CD2 4.13Å; Y121-Y125 AromaticContact CD2-CE2 3.9Å; Y121-Y125 HydrophobicContact CD2-CE2 3.9Å; Y121-Y125 AromaticContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CE2 4.16Å; Y121-Y125 AromaticContact CE2-CD2 3.91Å; Y121-Y125 HydrophobicContact CE2-CD2 3.91Å; Y121-Y125 AromaticContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CE2-CE2 3.44Å; Y121-Y125 VanDerWaalsContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CG-CD2 4.2Å; Y121-Y125 HydrophobicContact CG-CE2 4.43Å; Y121-Y125 AromaticContact CZ-CD2 3.73Å; Y121-Y125 AromaticContact CZ-CE2 3.58Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.44Å; Y121-Y125 PolarHBondContact O-N 2.77Å; Y121-I127 HydrophobicContact CD1-CD1 3.66Å; Y121-I127 HydrophobicContact CE1-CD1 3.83Å
122	R	92.1	Very high	88.1	Confident	102 Å²	102	81.7 Å²	81.7	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-47.3	174.6	-178.4	-174.4	-177.5	165.8	-0.9	111.1	F33 L118 T119 N126 I127	F33-R122 HydrophobicContact CE2-CB 4.01Å; F33-R122 HydrophobicContact CZ-CB 4.46Å; L118-R122 VanDerWaalsContact O-CB 3.28Å; L118-R122 WeakPolarHBondContact O-CB 3.18Å; L118-R122 PolarHBondContact O-N 3.24Å; T119-R122 WeakPolarHBondContact O-CB 3.4Å; T119-R122 PolarHBondContact O-N 2.87Å; R122-N126 WeakPolarHBondContact O-CA 3.45Å; R122-N126 PolarHBondContact O-N 3.23Å; R122-I127 HydrophobicContact CG-CB 4.08Å; R122-I127 WeakPolarHBondContact CG-O 3.45Å; R122-I127 PolarHBondContact NE-O 3.4Å; R122-I127 PolarHBondContact O-N 3.49Å
123	E	93.6	Very high	85.3	Confident	134 Å²	134	79 Å²	79	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-66.6	-45.9	179.8	-71.5	175.7	-174	0	0	111.7	T119 E120 Y125 N126	T119-E123 WeakPolarHBondContact O-CG 3.3Å; T119-E123 PolarHBondContact O-N 3.47Å; E120-E123 PolarHBondContact O-N 2.97Å; E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.95Å; E123-N126 PolarHBondContact O-N 3Å
124	R	94.2	Very high	82.7	Confident	164 Å²	164	87 Å²	87	62%	0.619	43%	0.431	S	S	*	.	H	α-helix	trans	-58.5	-35.2	-178.4	-176.2	-178.5	-60.5	177.7	4.7	113.7	E120	E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.34Å
125	Y	92.3	Very high	80.1	Confident	59 Å²	59	88.6 Å²	88.6	23%	0.231	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	16.3	-177.4	-63.3	-77.3	0	0	0	113.3	P24 V29 Y121 E123 I127	P24-Y125 HydrophobicContact CG-CE1 3.96Å; P24-Y125 WeakPolarHBondContact CG-OH 3.41Å; V29-Y125 HydrophobicContact CB-CG 4.48Å; V29-Y125 VanDerWaalsContact CG1-CB 3.49Å; V29-Y125 HydrophobicContact CG1-CD1 4.05Å; V29-Y125 HydrophobicContact CG1-CD2 3.98Å; V29-Y125 HydrophobicContact CG1-CG 3.58Å; V29-Y125 HydrophobicContact CG2-CD1 3.64Å; V29-Y125 HydrophobicContact CG2-CD2 4.43Å; V29-Y125 HydrophobicContact CG2-CE1 3.76Å; V29-Y125 HydrophobicContact CG2-CG 4Å; Y121-Y125 HydrophobicContact CD1-CD2 4.04Å; Y121-Y125 HydrophobicContact CD2-CD2 4.13Å; Y121-Y125 AromaticContact CD2-CE2 3.9Å; Y121-Y125 HydrophobicContact CD2-CE2 3.9Å; Y121-Y125 AromaticContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CD2 3.81Å; Y121-Y125 HydrophobicContact CE1-CE2 4.16Å; Y121-Y125 AromaticContact CE2-CD2 3.91Å; Y121-Y125 HydrophobicContact CE2-CD2 3.91Å; Y121-Y125 AromaticContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CE2-CE2 3.44Å; Y121-Y125 VanDerWaalsContact CE2-CE2 3.44Å; Y121-Y125 HydrophobicContact CG-CD2 4.2Å; Y121-Y125 HydrophobicContact CG-CE2 4.43Å; Y121-Y125 AromaticContact CZ-CD2 3.73Å; Y121-Y125 AromaticContact CZ-CE2 3.58Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.44Å; Y121-Y125 PolarHBondContact O-N 2.77Å; E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.95Å; Y125-I127 PolarHBondContact O-N 3.4Å; Y125-I127 VanDerWaalsContact O-N 3.08Å
126	N	90.8	Very high	77.5	Confident	105 Å²	105	95.4 Å²	95.4	56%	0.561	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	40.8	178	-66.7	90.9	0	0	0	113.8	R122 E123 R128	R122-N126 WeakPolarHBondContact O-CA 3.45Å; R122-N126 PolarHBondContact O-N 3.23Å; E123-N126 PolarHBondContact O-N 3Å; N126-R128 PolarHBondContact O-N 3.23Å
127	I	89.1	Confident	74.7	Confident	4 Å²	4	93.6 Å²	93.6	2%	0.021	50%	0.497	C	S	.	.			trans	-70.3	124.6	-174.5	-56.8	-177.8	0	0	0	110	V29 F33 Y121 R122 Y125 V159 L160 V161	V29-I127 HydrophobicContact CG1-CD1 3.76Å; V29-I127 HydrophobicContact CG1-CG1 4.15Å; F33-I127 HydrophobicContact CB-CD1 3.68Å; F33-I127 HydrophobicContact CD1-CD1 4.26Å; F33-I127 HydrophobicContact CD1-CG2 3.98Å; F33-I127 HydrophobicContact CD2-CD1 3.81Å; F33-I127 HydrophobicContact CE1-CG2 4.01Å; F33-I127 HydrophobicContact CG-CD1 3.66Å; F33-I127 HydrophobicContact CG-CG2 4.41Å; F33-I127 HydrophobicContact CZ-CG2 4.48Å; Y121-I127 HydrophobicContact CD1-CD1 3.66Å; Y121-I127 HydrophobicContact CE1-CD1 3.83Å; R122-I127 HydrophobicContact CG-CB 4.08Å; R122-I127 WeakPolarHBondContact CG-O 3.45Å; R122-I127 PolarHBondContact NE-O 3.4Å; R122-I127 PolarHBondContact O-N 3.49Å; Y125-I127 PolarHBondContact O-N 3.4Å; Y125-I127 VanDerWaalsContact O-N 3.08Å; I127-V159 HydrophobicContact CG2-CG1 3.19Å; I127-L160 WeakPolarHBondContact CA-O 3.28Å; I127-V161 HydrophobicContact CG1-CG2 4.28Å
128	R	84.8	Confident	71.9	Confident	163 Å²	163	98.4 Å²	98.4	62%	0.615	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.7	174.7	-60.8	-174.8	-174.7	-164.2	0.9	110.3	N126 V130 V159 L160	N126-R128 PolarHBondContact O-N 3.23Å; R128-V130 PolarHBondContact O-N 3.33Å; R128-V159 WeakPolarHBondContact O-CA 3.42Å; R128-L160 HydrophobicContact CB-CB 4.41Å; R128-L160 PolarHBondContact N-O 3.3Å; R128-L160 PolarHBondContact O-N 3.19Å
129	L	75.5	Confident	69	Low	17 Å²	17	101.5 Å²	101.5	9%	0.089	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	105.7	173.4	-78.4	158.4	0	0	0	108.9	F33 G131 E132 G158 V159	F33-L129 HydrophobicContact CE1-CD1 4.36Å; F33-L129 HydrophobicContact CE1-CD2 4.13Å; F33-L129 HydrophobicContact CE1-CG 4.3Å; F33-L129 HydrophobicContact CZ-CD1 4.39Å; L129-G131 PolarHBondContact O-N 3.23Å; L129-E132 WeakPolarHBondContact CD1-OE2 3.45Å; L129-E132 PolarHBondContact O-N 2.74Å; L129-G158 CarbonylContact C-O 3.55Å; L129-V159 HydrophobicContact CD2-CG2 4.01Å
130	V	64.5	Low	66.4	Low	75 Å²	75	107 Å²	107	46%	0.455	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	107.7	172.1	-171.6	0	0	0	0	108	R128 A157 G158 L160	R128-V130 PolarHBondContact O-N 3.33Å; V130-A157 CarbonylContact O-C 3.51Å; V130-A157 WeakPolarHBondContact O-CA 3.32Å; V130-G158 WeakPolarHBondContact CA-O 3.44Å; V130-G158 WeakPolarHBondContact CB-O 3.42Å; V130-G158 PolarHBondContact N-O 3.01Å; V130-G158 PolarHBondContact O-N 2.91Å; V130-L160 HydrophobicContact CG2-CB 4.32Å; V130-L160 HydrophobicContact CG2-CD1 3.24Å; V130-L160 HydrophobicContact CG2-CG 3.43Å; V130-L160 VanDerWaalsContact CG2-CG 3.43Å
131	G	60.1	Low	63.6	Low	69 Å²	69	107.1 Å²	107.1	71%	0.711	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.6	-17.1	-173.8	0	0	0	0	0	113.2	L129	L129-G131 PolarHBondContact O-N 3.23Å
132	E	50.2	Low	60.9	Low	131 Å²	131	110.6 Å²	110.6	61%	0.612	62%	0.622	S	S	*	*	S	Bend	trans	-99.5	76.7	158	-72.5	173.1	122.3	0	0	106.7	L129	L129-E132 WeakPolarHBondContact CD1-OE2 3.45Å; L129-E132 PolarHBondContact O-N 2.74Å
133	G	38.3	Very low	58.5	Low	60 Å²	60	110.1 Å²	110.1	62%	0.619	64%	0.641	S	S	*	*			trans	-57.9	140	169.8	0	0	0	0	0	109.8	G135	G133-G135 PolarHBondContact O-N 3.07Å
134	E	43.3	Very low	56.3	Low	212 Å²	212	109.2 Å²	109.2	99%	0.991	65%	0.646	S	S	*	*	S	Bend	trans	-0.1	93.6	152.8	-70.9	154.5	96.5	0	0	114.4
135	G	41.7	Very low	53.8	Low	69 Å²	69	107.4 Å²	107.4	71%	0.711	66%	0.659	S	S	*	*			trans	-142	9.6	-178.3	0	0	0	0	0	114.9	G133	G133-G135 PolarHBondContact O-N 3.07Å
136	D	40.9	Very low	50.8	Low	160 Å²	160	108.5 Å²	108.5	86%	0.856	69%	0.688	S	S	*	*	S	Bend	trans	-139.1	41.7	-177.7	-112.5	-44.3	0	0	0	113.5
137	T	39.2	Very low	48.5	Very low	127 Å²	127	110.6 Å²	110.6	78%	0.779	70%	0.699	S	S	*	*	S	Bend	trans	-146	112.4	161.7	-30.2	0	0	0	0	111.5
138	Q	37.7	Very low	45.9	Very low	191 Å²	191	116 Å²	116	89%	0.893	74%	0.738	S	S	*	*			trans	86.1	120.9	164.9	-70.9	166.5	19.7	0	0	118.8
139	G	33.7	Very low	43.6	Very low	76 Å²	76	117 Å²	117	78%	0.784	75%	0.749	S	S	*	*			trans	-86.5	-178.5	-179.2	0	0	0	0	0	115.6
140	Q	40.1	Very low	41.5	Very low	191 Å²	191	120.1 Å²	120.1	89%	0.893	79%	0.785	S	S	*	*			trans	84	93.1	160	-132.8	166.3	83.4	0	0	116.9
141	S	37.8	Very low	39.9	Very low	110 Å²	110	120 Å²	120	77%	0.769	80%	0.8	S	S	*	*				161.3	132.9	107.2	-70.1	0	0	0	0	113.6
142	A	39.6	Very low	39.1	Very low	103 Å²	103	120.7 Å²	120.7	85%	0.851	81%	0.807	S	S	*	*			trans	44.6	125	149.2	0	0	0	0	0	122.3
143	A	40.4	Very low	38.5	Very low	93 Å²	93	120 Å²	120	77%	0.769	82%	0.817	S	S	*	*			trans	-58.8	171.7	162.9	0	0	0	0	0	112.9
144	P	48.7	Very low	38.7	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	83%	0.832	S	S	*	*			cis	-149.6	169.4	31.1	40.9	-17.9	0	0	0	120.1
145	S	40.4	Very low	38.5	Very low	125 Å²	125	123.5 Å²	123.5	87%	0.874	83%	0.828	S	S	*	*			trans	49.7	124.1	148.2	-47.5	0	0	0	0	123
146	G	31.1	Very low	38.7	Very low	83 Å²	83	123.2 Å²	123.2	86%	0.856	83%	0.825	S	S	*	*			trans	-175.9	110.4	158.7	0	0	0	0	0	113.7
147	N	40.8	Very low	39.3	Very low	148 Å²	148	117.8 Å²	117.8	79%	0.791	80%	0.802	S	S	*	*			trans	-68.7	132	177.4	177.1	86.3	0	0	0	112.6
148	S	34.9	Very low	40.2	Very low	118 Å²	118	113.2 Å²	113.2	83%	0.825	78%	0.781	S	S	*	*			trans	-163.1	126.2	153.5	-111.6	0	0	0	0	113.2
149	E	35.9	Very low	41.8	Very low	183 Å²	183	105.1 Å²	105.1	86%	0.855	74%	0.744	S	S	*	*			trans	-56.2	154.2	166.8	-79.8	161.1	75.5	0	0	113.8
150	G	32	Very low	43.7	Very low	83 Å²	83	106.4 Å²	106.4	86%	0.856	73%	0.733	S	S	*	*			trans	121.9	121.9	144.7	0	0	0	0	0	115.4
151	G	31.3	Very low	45.1	Very low	73 Å²	73	99.4 Å²	99.4	75%	0.753	70%	0.703	S	S	*	*			trans	128.9	84.8	152	0	0	0	0	0	114.7	S153	G151-S153 PolarHBondContact O-N 2.92Å
152	G	43.9	Very low	46.2	Very low	84 Å²	84	100.3 Å²	100.3	87%	0.866	71%	0.709	S	S	*	*			trans	-56.6	123.9	158.7	0	0	0	0	0	109.8
153	S	36.3	Very low	46.5	Very low	117 Å²	117	100.2 Å²	100.2	82%	0.818	70%	0.702	S	S	*	*			trans	-141	125.6	165	-82.4	0	0	0	0	108.7	G151 S155	G151-S153 PolarHBondContact O-N 2.92Å; S153-S155 PolarHBondContact O-N 3.17Å; S153-S155 VanDerWaalsContact O-N 3.11Å
154	K	44.1	Very low	46.9	Very low	214 Å²	214	100.5 Å²	100.5	93%	0.93	70%	0.698	S	S	*	*			trans	-45.4	114.1	-177.7	-68.4	170.6	174.8	175	0	110.3	G156	K154-G156 PolarHBondContact O-N 3.22Å
155	S	38.7	Very low	46.8	Very low	130 Å²	130	99.7 Å²	99.7	91%	0.909	70%	0.696	S	S	*	*			trans	-71.2	70.1	170.9	174.1	0	0	0	0	110.1	S153	S153-S155 PolarHBondContact O-N 3.17Å; S153-S155 VanDerWaalsContact O-N 3.11Å
156	G	44.6	Very low	47.1	Very low	64 Å²	64	98.2 Å²	98.2	66%	0.66	69%	0.685	S	S	*	*			trans	-99.1	93.4	161.8	0	0	0	0	0	107.5	K154 G158	K154-G156 PolarHBondContact O-N 3.22Å; G156-G158 PolarHBondContact O-N 3.07Å
157	A	53.3	Low	48.1	Very low	45 Å²	45	99.2 Å²	99.2	37%	0.372	68%	0.675	S	S	.	*			trans	-55.2	111.8	173.4	0	0	0	0	0	108.8	V130	V130-A157 CarbonylContact O-C 3.51Å; V130-A157 WeakPolarHBondContact O-CA 3.32Å
158	G	59.9	Low	48.6	Very low	32 Å²	32	95.9 Å²	95.9	33%	0.33	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.2	149.3	177.3	0	0	0	0	0	109.5	L129 V130 G156	L129-G158 CarbonylContact C-O 3.55Å; V130-G158 WeakPolarHBondContact CA-O 3.44Å; V130-G158 WeakPolarHBondContact CB-O 3.42Å; V130-G158 PolarHBondContact N-O 3.01Å; V130-G158 PolarHBondContact O-N 2.91Å; G156-G158 PolarHBondContact O-N 3.07Å
159	V	70.4	Confident	49.6	Very low	21 Å²	21	94.4 Å²	94.4	13%	0.127	66%	0.656	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.6	120	179.3	-177.8	0	0	0	0	107.3	V30 F33 Q34 I127 R128 L129	V30-V159 HydrophobicContact CB-CG1 4.35Å; V30-V159 HydrophobicContact CG1-CB 3.71Å; V30-V159 HydrophobicContact CG1-CG1 3.93Å; V30-V159 HydrophobicContact CG1-CG2 4.43Å; V30-V159 HydrophobicContact CG2-CB 4.3Å; V30-V159 HydrophobicContact CG2-CG1 3.89Å; F33-V159 HydrophobicContact CD1-CG1 4.1Å; F33-V159 HydrophobicContact CD1-CG2 4.45Å; Q34-V159 HydrophobicContact CG-CG2 4.15Å; I127-V159 HydrophobicContact CG2-CG1 3.19Å; R128-V159 WeakPolarHBondContact O-CA 3.42Å; L129-V159 HydrophobicContact CD2-CG2 4.01Å
160	L	73.3	Confident	50.7	Low	102 Å²	102	87.5 Å²	87.5	53%	0.534	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	141.8	176.3	-66.1	169.3	0	0	0	109.9	I127 R128 V130	I127-L160 WeakPolarHBondContact CA-O 3.28Å; R128-L160 HydrophobicContact CB-CB 4.41Å; R128-L160 PolarHBondContact N-O 3.3Å; R128-L160 PolarHBondContact O-N 3.19Å; V130-L160 HydrophobicContact CG2-CB 4.32Å; V130-L160 HydrophobicContact CG2-CD1 3.24Å; V130-L160 HydrophobicContact CG2-CG 3.43Å; V130-L160 VanDerWaalsContact CG2-CG 3.43Å
161	V	70	Confident	52.2	Low	45 Å²	45	87.9 Å²	87.9	27%	0.273	62%	0.622	S	S	.	*			trans	-114	134.5	172.2	174.4	0	0	0	0	106.9	A26 V29 V30 I127	A26-V161 HydrophobicContact CB-CB 4.29Å; A26-V161 HydrophobicContact CB-CG1 4.27Å; V29-V161 HydrophobicContact CB-CG2 4.32Å; V29-V161 HydrophobicContact CG1-CG2 3.82Å; V30-V161 HydrophobicContact CG2-CG2 3.45Å; V30-V161 VanDerWaalsContact CG2-CG2 3.45Å; I127-V161 HydrophobicContact CG1-CG2 4.28Å
162	S	60.9	Low	54.1	Low	128 Å²	128	89.3 Å²	89.3	90%	0.895	61%	0.61	S	S	*	*			trans	-112.7	0	179.9	-61.5	0	0	0	0	111.7

Retrieved 162 of 162 residues in 726.2 ms (Link to these results)

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