A0A096MUH7_PAPAN Loading...

Guanine nucleotide-binding protein G(i) subunit alpha-2

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems. The G(i) proteins are involved in hormonal regulation of adenylate cyclase: they inhibit the cyclase in response to beta-adrenergic stimuli. May play a role in cell division.

AlphaFold DB (P04899), UniProt , Accession A0A096MUH7, Species PAPAN (Papio anubis, Olive baboon), Gene GNAI2, Length 355 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	72	Confident	241 Å²	241	108.8 Å²	108.8	100%	1.187	66%	0.655	S	S	*	*				0	108.1	0	-67.9	-165.3	-129.7	0	0	107.3	C3	M1-C3 PolarHBondContact O-N 3.21Å
2	G	52.7	Low	73.3	Confident	75 Å²	75	103.3 Å²	103.3	77%	0.773	63%	0.629	S	S	*	*			trans	-75.3	109.3	176.3	0	0	0	0	0	108.4	T4	G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å
3	C	56.9	Low	74.5	Confident	125 Å²	125	99.3 Å²	99.3	85%	0.845	61%	0.614	S	S	*	*			trans	-64.1	94.2	169.8	-71.6	0	0	0	0	107.8	M1 V5	M1-C3 PolarHBondContact O-N 3.21Å; C3-V5 PolarHBondContact O-N 2.85Å
4	T	63.7	Low	75.6	Confident	134 Å²	134	100.7 Å²	100.7	82%	0.822	61%	0.61	S	S	*	*			trans	-66.8	101.8	170.9	48.2	0	0	0	0	107.1	G2 S6	G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å; T4-S6 PolarHBondContact O-N 3.28Å
5	V	68.7	Low	76.7	Confident	84 Å²	84	103.6 Å²	103.6	51%	0.509	61%	0.605	S	S	.	*			trans	-49.9	123	171.3	-175.7	0	0	0	0	107.8	C3 D9 K10	C3-V5 PolarHBondContact O-N 2.85Å; V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å
6	S	81.6	Confident	77.6	Confident	45 Å²	45	100.9 Å²	100.9	32%	0.315	59%	0.594	S	S	.	*			trans	-63.3	156.1	-177.6	73.3	0	0	0	0	110.2	T4 E8 D9 K10	T4-S6 PolarHBondContact O-N 3.28Å; S6-E8 PolarHBondContact O-N 2.67Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; S6-K10 PolarHBondContact O-N 3.26Å
7	A	83.1	Confident	78.5	Confident	86 Å²	86	104.1 Å²	104.1	71%	0.711	60%	0.599	S	S	*	*	H	α-helix	trans	-58.5	-32.5	174.9	0	0	0	0	0	111.5	A11	A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å
8	E	84.1	Confident	79.2	Confident	158 Å²	158	105 Å²	105	74%	0.738	60%	0.598	S	S	*	*	H	α-helix	trans	-67.2	-43.6	175.2	-66.7	-179.1	172.9	0	0	112.2	S6 A11 A12	S6-E8 PolarHBondContact O-N 2.67Å; E8-A11 PolarHBondContact O-N 2.81Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å
9	D	86.3	Confident	79.8	Confident	93 Å²	93	104.5 Å²	104.5	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-39.7	176.7	-65.6	-40.3	0	0	0	111.7	V5 S6 A12 A13	V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; D9-A12 PolarHBondContact O-N 3Å; D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å
10	K	86	Confident	80.3	Confident	124 Å²	124	103.9 Å²	103.9	54%	0.539	59%	0.588	S	S	.	*	H	α-helix	trans	-62.4	-47.8	174	-70.9	-173.8	-177.1	178.7	0	111.1	V5 S6 A12 A13 E14	V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å; S6-K10 PolarHBondContact O-N 3.26Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; K10-A13 PolarHBondContact O-N 2.93Å; K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å
11	A	87.9	Confident	80.8	Confident	32 Å²	32	104.5 Å²	104.5	26%	0.264	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-35.4	178	0	0	0	0	0	112.1	A7 E8 R15	A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å; E8-A11 PolarHBondContact O-N 2.81Å; A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å
12	A	87.7	Confident	83.2	Confident	42 Å²	42	97 Å²	97	35%	0.347	55%	0.548	S	S	.	.	H	α-helix	trans	-67.5	-43.7	174.7	0	0	0	0	0	112	E8 D9 K10 E14 R15 S16	E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å; D9-A12 PolarHBondContact O-N 3Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; A12-R15 PolarHBondContact O-N 3.49Å; A12-S16 PolarHBondContact O-N 3.3Å
13	A	88.8	Confident	84.8	Confident	52 Å²	52	98.6 Å²	98.6	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-64.4	-37.8	175.7	0	0	0	0	0	112.3	D9 K10 S16 K17	D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å; K10-A13 PolarHBondContact O-N 2.93Å; A13-S16 PolarHBondContact O-N 3.32Å; A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å
14	E	90.2	Very high	86.1	Confident	119 Å²	119	100.4 Å²	100.4	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-64.6	-45	173.3	-75.6	175.4	-178.4	0	0	111.8	K10 A12 S16 K17 M18	K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; E14-S16 PolarHBondContact O-N 3.49Å; E14-K17 PolarHBondContact O-N 3.49Å; E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å
15	R	91.2	Very high	87	Confident	144 Å²	144	97.2 Å²	97.2	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-44.8	174	-75.2	-173.1	-61.3	-90	3	112.3	A11 A12 K17 M18 I19	A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å; A12-R15 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; R15-M18 PolarHBondContact O-N 3.44Å; R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å
16	S	92.2	Very high	87.7	Confident	60 Å²	60	97.5 Å²	97.5	42%	0.42	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-46.9	177.8	-166.8	0	0	0	0	111.4	A12 A13 E14 M18 I19 D20	A12-S16 PolarHBondContact O-N 3.3Å; A13-S16 PolarHBondContact O-N 3.32Å; E14-S16 PolarHBondContact O-N 3.49Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å
17	K	92.1	Very high	87.7	Confident	156 Å²	156	97.3 Å²	97.3	68%	0.678	51%	0.507	S	S	*	.	H	α-helix	trans	-61.5	-37.1	176.4	-74.2	176.7	-178.9	180	0	112.7	A13 E14 R15 K21	A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å; E14-K17 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å
18	M	91.1	Very high	87.5	Confident	120 Å²	120	98.1 Å²	98.1	59%	0.591	50%	0.496	S	S	*	.	H	α-helix	trans	-66.9	-40.4	174.6	-72.2	-178.8	-177.9	0	0	111.7	E14 R15 S16 K21 N22	E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å; R15-M18 PolarHBondContact O-N 3.44Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; M18-K21 PolarHBondContact O-N 3.22Å; M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å
19	I	90.8	Very high	87.2	Confident	95 Å²	95	96.7 Å²	96.7	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-49.5	175.2	-68	163.9	0	0	0	110.3	R15 S16 K21 N22 L23	R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å
20	D	90.8	Very high	86.8	Confident	93 Å²	93	95.3 Å²	95.3	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-39.7	179.3	-65.3	-30.2	0	0	0	111.8	S16 R24	S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å; D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å
21	K	90.8	Very high	86.5	Confident	116 Å²	116	92.5 Å²	92.5	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-47.9	174.6	-178.3	-178.5	167.7	-174.8	0	111.5	K17 M18 I19 R24 E25	K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å; M18-K21 PolarHBondContact O-N 3.22Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; K21-R24 PolarHBondContact O-N 3.28Å; K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å
22	N	89.8	Confident	86.4	Confident	83 Å²	83	97.5 Å²	97.5	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.2	179.2	-69.5	-6.8	0	0	0	111.3	M18 I19 R24 E25 D26	M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; N22-E25 PolarHBondContact O-N 2.8Å; N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å
23	L	87.2	Confident	86.6	Confident	110 Å²	110	99.3 Å²	99.3	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-60.1	-38.8	176.5	-72.8	173.8	0	0	0	112.1	I19 G27	I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å; L23-G27 PolarHBondContact O-N 2.91Å
24	R	83.7	Confident	86.8	Confident	162 Å²	162	96.8 Å²	96.8	61%	0.611	48%	0.482	S	S	*	.	H	α-helix	trans	-67.9	-45.5	175.2	-169.5	-178.6	69.8	169.5	5	111.8	D20 K21 N22 D26 G27 E28	D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å; K21-R24 PolarHBondContact O-N 3.28Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; R24-G27 PolarHBondContact O-N 2.86Å; R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å
25	E	83.5	Confident	87	Confident	68 Å²	68	92.9 Å²	92.9	32%	0.318	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177	-72.4	178.5	-174	0	0	112	K21 N22 E28 K29	K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å; N22-E25 PolarHBondContact O-N 2.8Å; E25-E28 PolarHBondContact O-N 3.45Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å
26	D	83.1	Confident	87.3	Confident	90 Å²	90	86 Å²	86	48%	0.481	44%	0.437	S	S	.	.	H	α-helix	trans	-68.6	-38.9	175.8	-70.4	-17.7	0	0	0	111.3	N22 R24 K29 A30	N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; D26-K29 PolarHBondContact O-N 2.92Å; D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å
27	G	80.7	Confident	87.6	Confident	40 Å²	40	83.1 Å²	83.1	41%	0.412	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-43	172.8	0	0	0	0	0	112.9	L23 R24 A30 A31	L23-G27 PolarHBondContact O-N 2.91Å; R24-G27 PolarHBondContact O-N 2.86Å; G27-A30 PolarHBondContact O-N 3.37Å; G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å
28	E	78.9	Confident	87.8	Confident	104 Å²	104	75.7 Å²	75.7	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176.1	-74.3	174.4	-164.2	0	0	112.2	R24 E25 R32	R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å; E25-E28 PolarHBondContact O-N 3.45Å; E28-R32 PolarHBondContact O-N 3.42Å
29	K	79	Confident	88.2	Confident	127 Å²	127	70 Å²	70	55%	0.552	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-46.6	173.9	-74.6	172	-172.5	165.4	0	111.6	E25 D26 A31 R32 E33	E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å; D26-K29 PolarHBondContact O-N 2.92Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å; K29-R32 PolarHBondContact O-N 2.96Å; K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å
30	A	77	Confident	88.5	Confident	65 Å²	65	65.5 Å²	65.5	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-60.9	-36.9	178.4	0	0	0	0	0	111.8	D26 G27 R32 E33	D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å; G27-A30 PolarHBondContact O-N 3.37Å; A30-R32 PolarHBondContact O-N 3.04Å; A30-E33 PolarHBondContact O-N 3.33Å
31	A	79.4	Confident	88.8	Confident	65 Å²	65	61.5 Å²	61.5	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-65.8	-20.8	176	0	0	0	0	0	113.8	G27 K29	G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å
32	R	86.7	Confident	89	Confident	136 Å²	136	57 Å²	57	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-100.2	-4.4	176.5	-63.5	-177	-172.9	-166.2	1.2	113.4	E28 K29 A30 L195 H196	E28-R32 PolarHBondContact O-N 3.42Å; K29-R32 PolarHBondContact O-N 2.96Å; A30-R32 PolarHBondContact O-N 3.04Å; R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; R32-H196 PolarHBondContact O-N 3.27Å
33	E	91.5	Very high	89.2	Confident	80 Å²	80	55.3 Å²	55.3	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.5	178.8	-172.5	170.3	112.4	0	0	110.4	K29 A30 H196 K198	K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å; A30-E33 PolarHBondContact O-N 3.33Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å
34	V	93.5	Very high	89.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.9	178.2	177.5	0	0	0	0	109.2	L36 L195 H196 F197 K198 T220 I344	V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; V34-H196 PolarHBondContact N-O 2.75Å; V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; V34-K198 PolarHBondContact O-N 3.09Å; V34-T220 HydrophobicContact CG1-CG2 4.01Å; V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å
35	K	94.8	Very high	90.3	Very high	36 Å²	36	42.9 Å²	42.9	16%	0.157	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.6	173.7	179.4	166.9	177.8	-176.7	0	110.2	K198 F200 C215 E217 G218 V219 T220 A221	K35-K198 WeakPolarHBondContact CA-O 3.32Å; K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; K35-E217 PolarHBondContact NZ-O 2.96Å; K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; K35-V219 HydrophobicContact CD-CG2 4.41Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; K35-A221 PolarHBondContact O-N 3.03Å
36	L	96.5	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	174.5	-65.5	-176.7	0	0	0	110.7	V34 F197 K198 M199 F200 A221 I223 F337 I344	V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; L36-K198 PolarHBondContact N-O 3.39Å; L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L36-F200 PolarHBondContact O-N 3.16Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L36-I223 HydrophobicContact CD1-CD1 4.23Å; L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å
37	L	97.6	Very high	91.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.3	174.9	-176.7	59.3	0	0	0	110.3	L39 F200 V202 C215 F216 V219 A221 I222 I223 F260	L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L37-V202 HydrophobicContact CD1-CG1 4.41Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; L37-A221 PolarHBondContact N-O 2.73Å; L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L37-I223 PolarHBondContact O-N 2.75Å; L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å
38	L	98	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.3	176.2	-68.4	169.6	0	0	0	110.2	K46 I49 V50 M199 F200 D201 V202 I223	L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; L38-I49 HydrophobicContact CD2-CG2 4.31Å; L38-V50 HydrophobicContact CD1-CG2 3.39Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; L38-F200 PolarHBondContact N-O 3.28Å; L38-D201 HydrophobicContact CD1-CB 4.2Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å
39	L	98.1	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	161.9	179.6	-61.5	-178.8	0	0	0	111.7	L37 V202 W212 F216 I222 I223 F224 C225 I254 F260	L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; L39-I223 PolarHBondContact N-O 3.19Å; L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; L39-C225 PolarHBondContact O-N 3.27Å; L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å
40	G	97.8	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.			trans	136.9	166.4	179.8	0	0	0	0	0	112.5	K46 G204	G40-K46 PolarHBondContact O-NZ 3.32Å; G40-G204 WeakPolarHBondContact O-CA 3.29Å
41	A	96.7	Very high	95.2	Very high	10 Å²	10	24.2 Å²	24.2	8%	0.083	13%	0.134	C	C	.	.	S	Bend	trans	-59.1	165.9	-178.3	0	0	0	0	0	112.8	S44 K46 L250	A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; A41-K46 PolarHBondContact O-NZ 3.43Å; A41-L250 HydrophobicContact CB-CD1 4.36Å
42	G	94.6	Very high	96	Very high	21 Å²	21	21.1 Å²	21.1	22%	0.216	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	143.5	168.7	0	0	0	0	0	110.4	S44 G204	G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å
43	E	95.1	Very high	96.4	Very high	47 Å²	47	14.6 Å²	14.6	22%	0.22	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	11	176.8	-68.7	154	-152.4	0	0	115.9	G45 R179 R243 K271	E43-G45 PolarHBondContact O-N 3.48Å; E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å
44	S	97.5	Very high	96.6	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.014	8%	0.075	C	C	.	.	S	Bend	trans	-70.4	-12.6	176	65	0	0	0	0	115.1	A41 G42 C225 N270	A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; S44-N270 PolarHBondContact O-ND2 2.85Å
45	G	96.9	Very high	96.7	Very high	10 Å²	10	14.1 Å²	14.1	10%	0.103	8%	0.081	C	C	.	.	S	Bend	trans	105.5	9.2	177	0	0	0	0	0	115.9	E43 S47 T48 I49	E43-G45 PolarHBondContact O-N 3.48Å; G45-S47 PolarHBondContact O-N 3.43Å; G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; G45-I49 PolarHBondContact O-N 3.44Å
46	K	97.5	Very high	96.7	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.035	8%	0.081	C	C	.	.	H	α-helix	trans	-51.2	-56.1	178.4	-61.4	-176.9	-62.7	-67.6	0	113.7	L38 G40 A41 T48 I49 V50 D201 V202 C225	L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; G40-K46 PolarHBondContact O-NZ 3.32Å; A41-K46 PolarHBondContact O-NZ 3.43Å; K46-T48 PolarHBondContact O-N 3.04Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; K46-C225 HydrophobicContact CG-CB 3.96Å
47	S	97.4	Very high	96.6	Very high	31 Å²	31	16 Å²	16	22%	0.217	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-26.3	179.9	-45	0	0	0	0	112.5	G45 V50 K51 T182 D201	G45-S47 PolarHBondContact O-N 3.43Å; S47-V50 PolarHBondContact O-N 2.71Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; S47-T182 PolarHBondContact OG-OG1 3.03Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å
48	T	97.7	Very high	96.3	Very high	24 Å²	24	20 Å²	20	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-38.9	172.4	-50.5	0	0	0	0	111	G45 K46 K51 Q52 L176 A327 T328	G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.04Å; T48-K51 PolarHBondContact O-N 3.18Å; T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; T48-T328 HydrophobicContact CG2-CG2 4.06Å
49	I	97.5	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.3	-43.3	172.1	-61.5	-61.1	0	0	0	111	L38 G45 K46 K51 Q52 M53 F268 A327 V333	L38-I49 HydrophobicContact CD2-CG2 4.31Å; G45-I49 PolarHBondContact O-N 3.44Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å
50	V	96.8	Very high	95.8	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-58.3	-47.9	174	179.8	0	0	0	0	111.2	L38 K46 S47 Q52 M53 K54 T188 M199 D201	L38-V50 HydrophobicContact CD1-CG2 3.39Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; S47-V50 PolarHBondContact O-N 2.71Å; V50-Q52 PolarHBondContact O-N 3.38Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; V50-D201 HydrophobicContact CG2-CB 3.63Å
51	K	96.8	Very high	95.7	Very high	22 Å²	22	29.3 Å²	29.3	10%	0.096	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-35.8	177.8	-69.9	171	178.2	178.8	0	111.8	S47 T48 I49 K54 I55 Y61 V175 L176 T178	S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; T48-K51 PolarHBondContact O-N 3.18Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-K54 PolarHBondContact O-N 2.85Å; K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å
52	Q	97.4	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-34.2	175.5	-71.3	-76.3	20.9	0	0	112.7	T48 I49 V50 K54 I55 I56 L176 A327 T330 V333	T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; V50-Q52 PolarHBondContact O-N 3.38Å; Q52-K54 PolarHBondContact O-N 3.18Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å
53	M	96	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-39.6	175.4	-62.1	-58.6	91.4	0	0	111.2	I49 V50 I56 H57 F190 M199 V333 F337	I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å
54	K	95	Very high	95.9	Very high	42 Å²	42	38.9 Å²	38.9	18%	0.183	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-43.6	172	-178.3	165.6	-179.8	169.4	0	112.6	V50 K51 Q52 E58 G60 Y61 E65	V50-K54 PolarHBondContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 2.85Å; Q52-K54 PolarHBondContact O-N 3.18Å; K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å
55	I	95.6	Very high	95.9	Very high	28 Å²	28	41.5 Å²	41.5	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-42.1	177.8	-63.6	175.2	0	0	0	112.5	K51 Q52 Y61 Q172 L176 T330	K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; I55-Q172 HydrophobicContact CD1-CB 4.19Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å
56	I	95.1	Very high	96	Very high	30 Å²	30	41.3 Å²	41.3	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-84.7	-31.9	-171.9	-62.3	164.7	0	0	0	111.2	Q52 M53 T330 V333 Q334	Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å
57	H	93.2	Very high	96	Very high	45 Å²	45	45.3 Å²	45.3	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-123.7	-7.6	-169	-56.2	-59	0	0	0	115.4	M53 F190 F192 F337	M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; H57-F337 AromaticContact NE2-CD1 3.87Å
58	E	91.3	Very high	95.9	Very high	83 Å²	83	50.2 Å²	50.2	39%	0.388	25%	0.246	S	C	.	.	S	Bend	trans	-134.2	39.9	-177.9	-54.8	-168.4	135.6	0	0	113	K54 G60 F190	K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; E58-G60 PolarHBondContact O-N 2.85Å; E58-F190 HydrophobicContact CG-CB 4.28Å
59	D	92.1	Very high	96	Very high	169 Å²	169	51.8 Å²	51.8	90%	0.904	25%	0.25	S	S	*	.			trans	60.4	5.2	178.5	-56.9	-47.3	0	0	0	115.8
60	G	94.4	Very high	96	Very high	5 Å²	5	54.9 Å²	54.9	5%	0.052	26%	0.262	C	S	.	.			trans	74.2	-151.8	-179.8	0	0	0	0	0	114.9	K54 E58	K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; E58-G60 PolarHBondContact O-N 2.85Å
61	Y	96.2	Very high	96	Very high	22 Å²	22	56.1 Å²	56.1	9%	0.086	27%	0.274	C	S	.	.			trans	-98.8	125.3	-177.7	-63.3	-94	0	0	0	109.1	K51 K54 I55 E65 C66 Y69 Q172 V175	K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; Y61-C66 VanDerWaalsContact CB-SG 3.59Å; Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å
62	S	96.7	Very high	96	Very high	58 Å²	58	56.8 Å²	56.8	41%	0.406	28%	0.28	S	S	.	.			trans	-63.4	161.3	168.3	63.6	0	0	0	0	110.9	E64 E65 C66	S62-E64 PolarHBondContact O-N 3.16Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å
63	E	96.8	Very high	96.1	Very high	117 Å²	117	56.8 Å²	56.8	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-38.1	177.2	-168.5	-169.6	122.8	0	0	112.1	C66 R67 I169	E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å
64	E	96.9	Very high	96.2	Very high	104 Å²	104	56.9 Å²	56.9	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-39.3	179.9	-173.4	55.4	-157.4	0	0	112.2	S62 R67 Q68	S62-E64 PolarHBondContact O-N 3.16Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å
65	E	97.1	Very high	96.3	Very high	57 Å²	57	56.2 Å²	56.2	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-41.9	173.5	-68.3	168.6	122	0	0	111.3	K54 Y61 S62 R67 Q68 Y69	K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å
66	C	98.1	Very high	96.4	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-42.5	172.1	-80.2	0	0	0	0	111.7	Y61 S62 E63 Q68 Y69 I169 P170	Y61-C66 VanDerWaalsContact CB-SG 3.59Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å; E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; C66-Q68 PolarHBondContact O-N 3.24Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å
67	R	97.3	Very high	96.6	Very high	93 Å²	93	53.8 Å²	53.8	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-34.7	176.6	-174.9	176.1	-78.4	110.2	4.5	112.1	E63 E64 E65 Y69 R70	E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å
68	Q	96.8	Very high	96.8	Very high	133 Å²	133	51.7 Å²	51.7	62%	0.621	26%	0.259	S	S	*	.	H	α-helix	trans	-65.7	-26.2	176	-64	169.9	5.4	0	0	113.2	E64 E65 C66 R70	E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; C66-Q68 PolarHBondContact O-N 3.24Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å
69	Y	97.8	Very high	97.1	Very high	57 Å²	57	51.8 Å²	51.8	22%	0.224	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.6	175.7	-77.1	-84.8	0	0	0	113.8	Y61 E65 C66 R67 A71 V72 V73 V175 T178	Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; Y69-A71 PolarHBondContact O-N 2.94Å; Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; Y69-V73 PolarHBondContact O-N 2.95Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å
70	R	97.7	Very high	97.4	Very high	65 Å²	65	43.8 Å²	43.8	25%	0.245	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-49.2	-175	-176	176.9	178	175.2	-1.2	112.4	R67 Q68 V72 V73 Y74 Q165 S166 Y168 P170	R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å; R70-V72 PolarHBondContact O-N 3.22Å; R70-V73 PolarHBondContact O-N 3.14Å; R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; R70-Q165 PolarHBondContact NH2-O 3.48Å; R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å; R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; R70-P170 HydrophobicContact CB-CG 3.98Å
71	A	97.1	Very high	97.6	Very high	42 Å²	42	43.5 Å²	43.5	35%	0.347	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-34.6	177.6	0	0	0	0	0	112.3	Y69 Y74 S75	Y69-A71 PolarHBondContact O-N 2.94Å; A71-Y74 PolarHBondContact O-N 2.59Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å
72	V	97.7	Very high	97.7	Very high	36 Å²	36	43.5 Å²	43.5	22%	0.218	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-43.1	177.7	-173.4	0	0	0	0	111	Y69 R70 Y74 S75 N76 T178 V180	Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; R70-V72 PolarHBondContact O-N 3.22Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; V72-S75 PolarHBondContact O-N 3Å; V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å
73	V	98.3	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-46.9	174.4	172.4	0	0	0	0	110.4	Y69 R70 N76 T77 Y156 I163 Y168 P170 D174 T178	Y69-V73 PolarHBondContact O-N 2.95Å; R70-V73 PolarHBondContact O-N 3.14Å; V73-N76 PolarHBondContact O-N 3Å; V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; V73-D174 HydrophobicContact CG2-CB 4.13Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å
74	Y	98.1	Very high	97.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-50.6	177.7	-65.8	-18.4	0	0	0	112.3	R70 A71 V72 N76 T77 I78 G118 V119 L120 I163 Y168	R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; A71-Y74 PolarHBondContact O-N 2.59Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; Y74-V119 VanDerWaalsContact CD2-C 3.5Å; Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å
75	S	97.7	Very high	98	Very high	28 Å²	28	32.1 Å²	32.1	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-44.8	176.7	177	0	0	0	0	111.6	A71 V72 T77 I78 Q79 E115	A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å; V72-S75 PolarHBondContact O-N 3Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; S75-I78 PolarHBondContact O-N 2.71Å; S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å
76	N	98.2	Very high	98	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.043	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-37.2	177.2	-69.9	174.4	0	0	0	112.7	V72 V73 Y74 S80 Y156 T178 R179	V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V73-N76 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å
77	T	98.4	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.5	-51.5	177.5	-54.7	0	0	0	0	110.8	V73 Y74 S75 S80 I81 Y156 L157 L160	V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; T77-S80 PolarHBondContact O-N 2.76Å; T77-I81 PolarHBondContact O-N 3.04Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; T77-L157 HydrophobicContact CG2-CD2 3.89Å; T77-L160 HydrophobicContact CG2-CD1 3.9Å
78	I	98.3	Very high	98.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-48.1	-179.9	-67	165.3	0	0	0	110.7	Y74 S75 S80 I81 M82 A114 E115 L120 L124 I128	Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; S75-I78 PolarHBondContact O-N 2.71Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; I78-A114 HydrophobicContact CD1-CB 3.99Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; I78-I128 HydrophobicContact CG1-CD1 4.1Å
79	Q	97.9	Very high	98.1	Very high	84 Å²	84	27.5 Å²	27.5	39%	0.393	16%	0.157	S	C	.	.	H	α-helix	trans	-63.1	-35.5	178.6	-71.5	174.2	3.8	0	0	112.3	S75 A83 E115	S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å
80	S	98.5	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-48.5	179.1	-63.1	0	0	0	0	111.5	N76 T77 I78 A83 I84 L149	N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; T77-S80 PolarHBondContact O-N 2.76Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; S80-A83 PolarHBondContact O-N 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; S80-L149 WeakPolarHBondContact O-CD1 3.36Å
81	I	98.6	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.7	-37.4	177.9	-171.3	64.6	0	0	0	112	T77 I78 A83 I84 V85 L107 I128 L131 W132 V137 L157	T77-I81 PolarHBondContact O-N 3.04Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; I81-I84 PolarHBondContact O-N 3.36Å; I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; I81-W132 HydrophobicContact CD1-CE3 4.34Å; I81-V137 HydrophobicContact CD1-CG1 4.08Å; I81-L157 HydrophobicContact CB-CD2 4.01Å
82	M	98.4	Very high	98	Very high	22 Å²	22	36.4 Å²	36.4	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-39.5	173.6	-73	171.8	79.4	0	0	112.2	I78 K86 L107 F108 S111	I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å
83	A	98.4	Very high	98.1	Very high	27 Å²	27	36.1 Å²	36.1	22%	0.223	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.8	0	0	0	0	0	111.3	Q79 S80 I81 K86 A87 L149	Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; S80-A83 PolarHBondContact O-N 3.44Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; A83-K86 PolarHBondContact O-N 3Å; A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; A83-L149 HydrophobicContact CB-CD1 4.14Å
84	I	98.7	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-49.9	177	-61.6	159.9	0	0	0	110.5	S80 I81 K86 A87 M88 W132 V137 C140 F141 Y147 L149 L157	S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; I81-I84 PolarHBondContact O-N 3.36Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; I84-C140 HydrophobicContact CG2-CB 4.1Å; I84-F141 HydrophobicContact CD1-CD2 4.02Å; I84-Y147 HydrophobicContact CG1-CE2 4.18Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; I84-L157 HydrophobicContact CD1-CD1 4Å
85	V	98.4	Very high	98.1	Very high	13 Å²	13	45 Å²	45	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-38	-179.3	174	0	0	0	0	112	I81 M88 F95 A104 L107 F108 L131	I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; V85-F95 HydrophobicContact CG1-CZ 4.31Å; V85-A104 HydrophobicContact CG1-CB 3.91Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å
86	K	98.2	Very high	98.1	Very high	125 Å²	125	46.6 Å²	46.6	54%	0.543	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-42.8	172.1	-77	173.2	176.4	172.1	0	111.6	M82 A83 I84 M88 G89 N90 F108	M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; A83-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; K86-G89 PolarHBondContact O-N 2.75Å; K86-N90 PolarHBondContact O-N 3.46Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å
87	A	98.3	Very high	98.1	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-32.6	178.9	0	0	0	0	0	112.6	A83 I84 G89 N90 L91 Y147	A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å
88	M	98.4	Very high	98	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-43.7	173.6	-70.6	179.6	73.1	0	0	112.1	I84 V85 K86 L91 Q92 I93 F95 V137 C140	I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; M88-L91 PolarHBondContact O-N 3.01Å; M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å
89	G	96.6	Very high	97.9	Very high	59 Å²	59	56.8 Å²	56.8	61%	0.608	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-43.2	176.7	0	0	0	0	0	112.9	K86 A87 Q92	K86-G89 PolarHBondContact O-N 2.75Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; G89-Q92 PolarHBondContact O-N 2.87Å
90	N	96.3	Very high	97.9	Very high	141 Å²	141	54.8 Å²	54.8	75%	0.754	31%	0.313	S	S	*	.	H	α-helix	trans	-69	-37.5	179.1	-66.8	-13.4	0	0	0	112.6	K86 A87 Q92	K86-N90 PolarHBondContact O-N 3.46Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; N90-Q92 VanDerWaalsContact C-N 3.31Å
91	L	97.8	Very high	97.9	Very high	34 Å²	34	56.8 Å²	56.8	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-88.4	0.4	-178.2	-61.8	-178.6	0	0	0	113.3	A87 M88 I93 R143 E146 Y147	A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; M88-L91 PolarHBondContact O-N 3.01Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; L91-R143 HydrophobicContact CD1-CB 4.1Å; L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å
92	Q	97.7	Very high	97.8	Very high	175 Å²	175	59.7 Å²	59.7	82%	0.818	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	46.4	-178.1	-57.4	-176.6	-35.8	0	0	112.5	M88 G89 N90	M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; G89-Q92 PolarHBondContact O-N 2.87Å; N90-Q92 VanDerWaalsContact C-N 3.31Å
93	I	98.1	Very high	97.8	Very high	31 Å²	31	59 Å²	59	16%	0.159	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-101.9	116.5	176.9	-57.3	172.8	0	0	0	108	M88 L91 G136 C140	M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; I93-G136 WeakPolarHBondContact CG2-O 3.17Å; I93-C140 HydrophobicContact CD1-CB 3.71Å
94	D	98.1	Very high	97.8	Very high	141 Å²	141	58.1 Å²	58.1	75%	0.754	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-74.9	153	175.3	-66	-39.7	0	0	0	111.4	G136	D94-G136 WeakPolarHBondContact O-CA 3.22Å
95	F	98.5	Very high	97.8	Very high	46 Å²	46	65.8 Å²	65.8	20%	0.202	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.2	141.4	165.1	-63.4	-73.6	0	0	0	109.9	V85 M88 D97 R100 A101 A104 L131 V137	V85-F95 HydrophobicContact CG1-CZ 4.31Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; F95-D97 WeakPolarHBondContact CB-O 3.47Å; F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å
96	A	98.2	Very high	97.7	Very high	62 Å²	62	68.4 Å²	68.4	51%	0.512	38%	0.375	S	S	.	.	S	Bend	trans	-69.1	-38.3	175.5	0	0	0	0	0	111.4	D134 H135	A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; A96-H135 HydrophobicContact CB-CB 3.76Å
97	D	97.9	Very high	97.7	Very high	61 Å²	61	62.4 Å²	62.4	33%	0.326	35%	0.349	S	S	.	.	S	Bend	trans	-101.8	112.7	167.6	177.3	-6.7	0	0	0	110.1	F95 S99 R100 D134	F95-D97 WeakPolarHBondContact CB-O 3.47Å; D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; D97-D134 PolarHBondContact N-OD2 3.33Å
98	P	96.9	Very high	97.7	Very high	106 Å²	106	65.9 Å²	65.9	69%	0.688	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.6	179.6	-27.4	35.4	0	0	0	114.7	R100 A101	P98-R100 PolarHBondContact O-N 3.11Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å
99	S	96.3	Very high	97.6	Very high	57 Å²	57	69.2 Å²	69.2	40%	0.399	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.9	176.1	70.5	0	0	0	0	113	D97 A101 D102	D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; S99-A101 PolarHBondContact O-N 2.91Å; S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å
100	R	98.1	Very high	97.6	Very high	42 Å²	42	68.8 Å²	68.8	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-16.9	174.2	-61.3	-66.7	87	77.4	10	113.3	F95 D97 P98 D102 D103 A104 R130 L131 D134	F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; P98-R100 PolarHBondContact O-N 3.11Å; R100-D102 PolarHBondContact O-N 3.3Å; R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; R100-A104 PolarHBondContact O-N 2.88Å; R100-R130 WeakPolarHBondContact CD-O 3.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; R100-D134 HydrophobicContact CG-CB 4.1Å
101	A	97.3	Very high	97.6	Very high	43 Å²	43	62.3 Å²	62.3	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-30.2	172.2	0	0	0	0	0	112.6	F95 P98 S99 R105	F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å; S99-A101 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-N 2.99Å
102	D	97.8	Very high	97.4	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	35%	0.354	S	S	.	.	H	α-helix	trans	-73.5	-42.4	172.1	-167.7	74.1	0	0	0	111.5	S99 R100 A104 R105 Q106	S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å; R100-D102 PolarHBondContact O-N 3.3Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å
103	D	98.3	Very high	97.2	Very high	7 Å²	7	59 Å²	59	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-40.8	174.1	-72.5	-39.3	0	0	0	111.8	R100 R105 Q106 L107 V127 R130 L131	R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; D103-Q106 PolarHBondContact O-N 3.36Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å
104	A	98	Very high	97.1	Very high	9 Å²	9	57.7 Å²	57.7	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-40.3	174.6	0	0	0	0	0	112.3	V85 F95 R100 D102 L107 F108 L131	V85-A104 HydrophobicContact CG1-CB 3.91Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; R100-A104 PolarHBondContact O-N 2.88Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; A104-L107 PolarHBondContact O-N 3.03Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; A104-L131 HydrophobicContact CB-CD2 4.36Å
105	R	97.7	Very high	96.9	Very high	160 Å²	160	53.8 Å²	53.8	60%	0.604	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-43.5	173.9	-75	-174.8	-79.2	114.8	-1.4	111.4	A101 D102 D103 F108 A109	A101-R105 PolarHBondContact O-N 2.99Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; R105-F108 PolarHBondContact O-N 3.46Å; R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å
106	Q	97.8	Very high	96.7	Very high	68 Å²	68	59 Å²	59	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.8	-67.4	-176.4	39.9	0	0	112	D102 D103 F108 A109 L110 V127	D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å; D103-Q106 PolarHBondContact O-N 3.36Å; Q106-F108 PolarHBondContact O-N 3.2Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å
107	L	98.2	Very high	96.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-52.3	-53.4	176.4	171	62	0	0	0	111.1	I81 M82 V85 D103 A104 A109 L110 S111 L124 V127 I128 L131	I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; A104-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å; L107-L110 PolarHBondContact O-N 3.27Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å
108	F	97.2	Very high	96.3	Very high	76 Å²	76	60.2 Å²	60.2	33%	0.333	33%	0.33	S	S	.	.	H	α-helix	trans	-69.7	-28.3	-179.3	-68.1	-64.9	0	0	0	113.5	M82 V85 K86 A104 R105 Q106 S111	M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; R105-F108 PolarHBondContact O-N 3.46Å; Q106-F108 PolarHBondContact O-N 3.2Å; F108-S111 PolarHBondContact O-OG 2.9Å
109	A	96.9	Very high	96.2	Very high	74 Å²	74	57.8 Å²	57.8	61%	0.612	31%	0.313	S	S	*	.	H	α-helix	trans	-72.7	-37.5	177.2	0	0	0	0	0	112.4	R105 Q106 L107	R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å
110	L	96.5	Very high	96.3	Very high	50 Å²	50	55.6 Å²	55.6	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-90.3	-27.4	-175.4	-63.8	173.7	0	0	0	113.2	Q106 L107 C112 T113 A114 D123 L124	Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; L107-L110 PolarHBondContact O-N 3.27Å; L110-C112 PolarHBondContact O-N 3.42Å; L110-T113 PolarHBondContact O-N 3.48Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; L110-D123 HydrophobicContact CD1-CB 4.49Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å
111	S	95.9	Very high	96.1	Very high	5 Å²	5	55.9 Å²	55.9	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-42.8	-171.3	64.7	0	0	0	0	113.6	M82 L107 F108 T113 A114 E115	M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; F108-S111 PolarHBondContact O-OG 2.9Å; S111-T113 PolarHBondContact O-N 3.41Å; S111-A114 PolarHBondContact O-N 3.24Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å
112	C	93.2	Very high	96	Very high	68 Å²	68	60 Å²	60	46%	0.459	32%	0.32	S	S	.	.	H	α-helix	trans	-59.8	-47.4	-176	-164.6	0	0	0	0	111.3	L110 E115 E116	L110-C112 PolarHBondContact O-N 3.42Å; C112-E115 PolarHBondContact O-N 3.32Å; C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å
113	T	94.4	Very high	95.9	Very high	72 Å²	72	61.3 Å²	61.3	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-41.5	179.9	-58.2	0	0	0	0	111	L110 S111 E116 Q117	L110-T113 PolarHBondContact O-N 3.48Å; S111-T113 PolarHBondContact O-N 3.41Å; T113-E116 PolarHBondContact O-N 3.26Å; T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å
114	A	95.1	Very high	95.9	Very high	3 Å²	3	61 Å²	61	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-42.3	179	0	0	0	0	0	112.3	I78 L110 S111 G118 V119 L124	I78-A114 HydrophobicContact CD1-CB 3.99Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; S111-A114 PolarHBondContact O-N 3.24Å; A114-G118 PolarHBondContact O-N 3.47Å; A114-V119 PolarHBondContact O-N 3.45Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å
115	E	94.2	Very high	95.9	Very high	60 Å²	60	60.9 Å²	60.9	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-44.1	176.8	-73	-169.9	100.3	0	0	112.3	S75 I78 Q79 S111 C112 Q117 G118	S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å; C112-E115 PolarHBondContact O-N 3.32Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; E115-G118 PolarHBondContact O-N 2.67Å
116	E	93.9	Very high	95.9	Very high	154 Å²	154	54 Å²	54	72%	0.72	30%	0.304	S	S	*	.	H	α-helix	trans	-61.2	-38.4	177.4	-76.2	173.2	-167.4	0	0	112.5	C112 T113	C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å; T113-E116 PolarHBondContact O-N 3.26Å
117	Q	94.5	Very high	95.9	Very high	131 Å²	131	50.8 Å²	50.8	61%	0.612	29%	0.288	S	S	*	.	H	α-helix	trans	-84.8	-12.6	179	-69.1	179.3	1.3	0	0	113.3	T113 E115 V119	T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å
118	G	94.3	Very high	95.9	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	34.8	-176.5	0	0	0	0	0	113.4	Y74 A114 E115	Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; A114-G118 PolarHBondContact O-N 3.47Å; E115-G118 PolarHBondContact O-N 2.67Å
119	V	95.3	Very high	96	Very high	55 Å²	55	52.4 Å²	52.4	33%	0.333	29%	0.292	S	S	.	.			trans	-124.2	162.9	-178	-62.2	0	0	0	0	111.4	Y74 A114 Q117 P121	Y74-V119 VanDerWaalsContact CD2-C 3.5Å; A114-V119 PolarHBondContact O-N 3.45Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å; V119-P121 HydrophobicContact CG2-CG 3.93Å
120	L	96.8	Very high	96.1	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.058	28%	0.281	C	S	.	.			trans	-125.8	89.3	171.8	-177.9	61.8	0	0	0	108.8	Y74 I78 L124 I128 L160 I163 A164	Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; L120-A164 HydrophobicContact CD2-CB 4.12Å
121	P	95.2	Very high	96.2	Very high	48 Å²	48	51.1 Å²	51.1	31%	0.312	27%	0.268	S	S	.	.			trans	-67.9	156.7	-177.3	-22.2	36.6	0	0	0	112.7	V119 D123 L124 S125	V119-P121 HydrophobicContact CG2-CG 3.93Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; P121-L124 PolarHBondContact O-N 2.88Å; P121-S125 PolarHBondContact O-N 2.79Å
122	D	95.7	Very high	96.3	Very high	129 Å²	129	51.9 Å²	51.9	69%	0.69	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-35	-174.7	-71.4	-22.3	0	0	0	114	S125 G126	D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; D122-G126 PolarHBondContact O-N 3.11Å
123	D	95.8	Very high	96.5	Very high	89 Å²	89	52.1 Å²	52.1	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-47.8	175.8	58.8	-13.5	0	0	0	111	L110 P121 G126 V127	L110-D123 HydrophobicContact CD1-CB 4.49Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; D123-G126 PolarHBondContact O-N 3.1Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å
124	L	97.6	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-44.7	176.5	179.4	56.2	0	0	0	111.6	I78 L107 L110 A114 L120 P121 G126 V127 I128	I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; P121-L124 PolarHBondContact O-N 2.88Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å
125	S	97.5	Very high	96.9	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-37.9	178.3	78.9	0	0	0	0	111.6	P121 D122 I128 R129	P121-S125 PolarHBondContact O-N 2.79Å; D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; S125-I128 PolarHBondContact O-N 3.02Å; S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å
126	G	97.8	Very high	97.1	Very high	16 Å²	16	53.7 Å²	53.7	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-42.9	172.7	0	0	0	0	0	113	D122 D123 L124 R129 R130	D122-G126 PolarHBondContact O-N 3.11Å; D123-G126 PolarHBondContact O-N 3.1Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; G126-R129 PolarHBondContact O-N 2.72Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å
127	V	98.2	Very high	97.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-51	174	163.9	0	0	0	0	111.1	D103 Q106 L107 D123 L124 R129 R130 L131	D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; V127-R130 PolarHBondContact O-N 3.15Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å
128	I	98.6	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-41.7	-179.7	-65.3	176.1	0	0	0	110.4	I78 I81 L107 L120 L124 S125 L131 W132 L157 L160	I78-I128 HydrophobicContact CG1-CD1 4.1Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å; S125-I128 PolarHBondContact O-N 3.02Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å
129	R	98.3	Very high	97.7	Very high	109 Å²	109	45 Å²	45	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-47	178	-171.2	-168.5	-54.7	-124.3	-2.2	112.6	S125 G126 V127 L131 W132 A133 L160 E161	S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å; G126-R129 PolarHBondContact O-N 2.72Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-W132 PolarHBondContact O-N 2.87Å; R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å
130	R	98.5	Very high	97.9	Very high	98 Å²	98	42.3 Å²	42.3	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-40.8	178.9	-73.1	-170.3	-61.8	-83.7	4	111.7	R100 D103 G126 V127 D134	R100-R130 WeakPolarHBondContact CD-O 3.4Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å; V127-R130 PolarHBondContact O-N 3.15Å; R130-D134 PolarHBondContact O-N 2.82Å
131	L	98.7	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-49.6	174.6	-70.2	169.6	0	0	0	111	I81 V85 F95 R100 D103 A104 L107 V127 I128 R129 A133 D134 V137	I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å; A104-L131 HydrophobicContact CB-CD2 4.36Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å; I128-L131 PolarHBondContact O-N 2.96Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-A133 PolarHBondContact O-N 2.88Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å
132	W	98.6	Very high	98	Very high	20 Å²	20	45 Å²	45	8%	0.076	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-32.2	-178.4	-173.7	-124	0	0	0	112.9	I81 I84 I128 R129 D134 V137 Q138 F141 L157 N158	I81-W132 HydrophobicContact CD1-CE3 4.34Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; R129-W132 PolarHBondContact O-N 2.87Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; W132-N158 PolarHBondContact NE1-OD1 3.46Å
133	A	98.4	Very high	98.1	Very high	74 Å²	74	43.1 Å²	43.1	61%	0.612	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.4	174.9	0	0	0	0	0	114.4	R129 L131	R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; L131-A133 PolarHBondContact O-N 2.88Å
134	D	98.7	Very high	98.1	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	23%	0.225	C	C	.	.			trans	-72.2	134.3	-178.5	-177.2	-93.8	0	0	0	111.9	A96 D97 R100 R130 L131 W132 G136 V137 Q138	A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; D97-D134 PolarHBondContact N-OD2 3.33Å; R100-D134 HydrophobicContact CG-CB 4.1Å; R130-D134 PolarHBondContact O-N 2.82Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å
135	H	98.4	Very high	98	Very high	151 Å²	151	45.5 Å²	45.5	70%	0.699	24%	0.243	S	C	*	.	H	α-helix	trans	-66.5	-29.1	-178.3	-71.4	-68	0	0	0	113.7	A96 A139	A96-H135 HydrophobicContact CB-CB 3.76Å; H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å
136	G	98.6	Very high	97.9	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-41.8	173.6	0	0	0	0	0	111.6	I93 D94 D134 A139 C140	I93-G136 WeakPolarHBondContact CG2-O 3.17Å; D94-G136 WeakPolarHBondContact O-CA 3.22Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; G136-A139 PolarHBondContact O-N 2.95Å; G136-C140 PolarHBondContact O-N 2.91Å
137	V	98.7	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-45.7	172.8	174.9	0	0	0	0	110.9	I81 I84 M88 F95 L131 W132 D134 A139 C140 F141	I81-V137 HydrophobicContact CD1-CG1 4.08Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; V137-A139 PolarHBondContact O-N 3.49Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; V137-F141 PolarHBondContact O-N 3.39Å
138	Q	98.6	Very high	97.8	Very high	67 Å²	67	53.9 Å²	53.9	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-40.2	175.6	-71.8	-63	-42.6	0	0	112.5	W132 D134 C140 F141 G142	W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; Q138-G142 PolarHBondContact O-N 3.03Å
139	A	98.3	Very high	97.8	Very high	54 Å²	54	55.1 Å²	55.1	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-38.6	174.7	0	0	0	0	0	112	H135 G136 V137 G142	H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å; G136-A139 PolarHBondContact O-N 2.95Å; V137-A139 PolarHBondContact O-N 3.49Å; A139-G142 PolarHBondContact O-N 3.36Å
140	C	98.6	Very high	97.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-38.3	174.3	-171.4	0	0	0	0	112.4	I84 M88 I93 G136 V137 Q138 G142 R143 Y147	I84-C140 HydrophobicContact CG2-CB 4.1Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å; I93-C140 HydrophobicContact CD1-CB 3.71Å; G136-C140 PolarHBondContact O-N 2.91Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å
141	F	98.3	Very high	97.4	Very high	51 Å²	51	49.9 Å²	49.9	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-39.5	172.9	176.9	-104.1	0	0	0	112.2	I84 W132 V137 Q138 R143 S144 Y147 L149 A153 A154	I84-F141 HydrophobicContact CD1-CD2 4.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; V137-F141 PolarHBondContact O-N 3.39Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; F141-A153 HydrophobicContact CE2-CB 4.39Å; F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å
142	G	96.5	Very high	97.3	Very high	63 Å²	63	50.7 Å²	50.7	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.3	173.2	0	0	0	0	0	114.6	Q138 A139 C140	Q138-G142 PolarHBondContact O-N 3.03Å; A139-G142 PolarHBondContact O-N 3.36Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å
143	R	96.8	Very high	97.3	Very high	91 Å²	91	49.8 Å²	49.8	34%	0.343	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	20.2	174.5	-66.1	176.1	66.8	-173.7	0.3	112.5	L91 C140 F141 R145 E146 Y147	L91-R143 HydrophobicContact CD1-CB 4.1Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; R143-R145 PolarHBondContact O-N 3.41Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å
144	S	96.6	Very high	97.3	Very high	35 Å²	35	47.4 Å²	47.4	25%	0.245	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-58.6	-11.7	-177.2	49.6	0	0	0	0	115.7	F141 E146	F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å
145	R	94.8	Very high	97.3	Very high	105 Å²	105	49.9 Å²	49.9	40%	0.396	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-71	-19.5	169.3	72.7	178.3	-174.4	-173	2.2	114.1	R143 Y147 L233 S282	R143-R145 PolarHBondContact O-N 3.41Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; R145-L233 HydrophobicContact CB-CD2 3.87Å; R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å
146	E	96	Very high	97.3	Very high	90 Å²	90	42.7 Å²	42.7	42%	0.421	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-87.5	-1	-176.1	-61.5	177.3	-127.9	0	0	112.8	L91 R143 S144	L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å
147	Y	97.2	Very high	97.3	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.122	23%	0.226	C	C	.	.	S	Bend	trans	-152.5	173.7	177.1	57.9	-85	0	0	0	110.8	I84 A87 L91 C140 F141 R143 R145 L149	I84-Y147 HydrophobicContact CG1-CE2 4.18Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å
148	Q	96.9	Very high	97.2	Very high	76 Å²	76	48.1 Å²	48.1	36%	0.355	26%	0.256	S	S	.	.			trans	-85.6	112.3	-179	-57.5	-61.6	-36.1	0	0	110.1	V234 A236	Q148-V234 PolarHBondContact NE2-O 2.85Å; Q148-A236 HydrophobicContact CG-CB 4.3Å
149	L	97.6	Very high	97.2	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.141	26%	0.255	C	S	.	.			trans	-132.5	140.5	176.5	-172.1	62.3	0	0	0	110.8	S80 A83 I84 F141 Y147 A153	S80-L149 WeakPolarHBondContact O-CD1 3.36Å; A83-L149 HydrophobicContact CB-CD1 4.14Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å
150	N	94.9	Very high	97.2	Very high	37 Å²	37	45.3 Å²	45.3	20%	0.198	24%	0.236	C	C	.	.			trans	-70.8	134.6	174.9	-71.3	-35.7	0	0	0	110.4	S152 A153	N150-S152 PolarHBondContact O-N 3.39Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å
151	D	94.8	Very high	97.1	Very high	60 Å²	60	50 Å²	50	32%	0.321	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.8	177.6	-65.1	-28.4	0	0	0	113.6	A153 K271 L274	D151-A153 PolarHBondContact O-N 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; D151-L274 HydrophobicContact CB-CD1 3.67Å
152	S	96.7	Very high	97	Very high	17 Å²	17	50.8 Å²	50.8	12%	0.119	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.9	179.4	-50.6	0	0	0	0	113.5	N150 Y155 Y156 R177	N150-S152 PolarHBondContact O-N 3.39Å; S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å
153	A	98.3	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.4	-55.5	-179.7	0	0	0	0	0	111.8	F141 L149 N150 D151 Y155 Y156 L157	F141-A153 HydrophobicContact CE2-CB 4.39Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å; D151-A153 PolarHBondContact O-N 3.21Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; A153-Y156 PolarHBondContact O-N 3.46Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å
154	A	97.7	Very high	97.1	Very high	24 Å²	24	43.8 Å²	43.8	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-39	179.4	0	0	0	0	0	112.3	F141 Y156 N158	F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å; A154-Y156 PolarHBondContact O-N 2.91Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å
155	Y	98.2	Very high	97.1	Very high	62 Å²	62	46.1 Å²	46.1	24%	0.243	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-49.7	178.7	174	-99.5	0	0	0	111.8	S152 A153 Q173 D174 R177	S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å
156	Y	98.5	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-76.9	-41.5	-179.8	-63.3	-53.1	0	0	0	113.2	V73 N76 T77 S152 A153 A154 N158 D159 L160 I163 D174 R177 T178	V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; A153-Y156 PolarHBondContact O-N 3.46Å; A154-Y156 PolarHBondContact O-N 2.91Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å; Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-L160 PolarHBondContact O-N 2.77Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å
157	L	98.6	Very high	96.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-32.2	-177	-66.5	169.3	0	0	0	112.2	T77 I81 I84 I128 W132 A153 D159	T77-L157 HydrophobicContact CG2-CD2 3.89Å; I81-L157 HydrophobicContact CB-CD2 4.01Å; I84-L157 HydrophobicContact CD1-CD1 4Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å; L157-D159 VanDerWaalsContact C-N 3.31Å
158	N	98.3	Very high	97	Very high	116 Å²	116	46.4 Å²	46.4	62%	0.62	24%	0.244	S	C	*	.	H	α-helix	trans	-72.6	-23.4	174.7	-69.6	-19.5	0	0	0	113.3	W132 A154 Y156	W132-N158 PolarHBondContact NE1-OD1 3.46Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å
159	D	97.8	Very high	97	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	24.4	-176.6	-152.7	2.7	0	0	0	112.1	Y156 L157 E161 R162 I163	Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; L157-D159 VanDerWaalsContact C-N 3.31Å; D159-E161 PolarHBondContact O-N 3.5Å; D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å
160	L	97.8	Very high	97	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-30.9	-174.8	-171	68.3	0	0	0	112.5	T77 L120 I128 R129 Y156 R162 I163 A164	T77-L160 HydrophobicContact CG2-CD1 3.9Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; Y156-L160 PolarHBondContact O-N 2.77Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; L160-I163 PolarHBondContact O-N 2.76Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å
161	E	96.1	Very high	97.2	Very high	98 Å²	98	45.5 Å²	45.5	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-43.2	176.1	-179.1	60.7	-152.5	0	0	111.8	R129 D159 Q165	R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å; D159-E161 PolarHBondContact O-N 3.5Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å
162	R	97.8	Very high	97.3	Very high	69 Å²	69	45.9 Å²	45.9	26%	0.26	24%	0.243	S	C	.	.	H	α-helix	trans	-72.1	-43.3	177.7	179.9	-179.7	61.3	86	2.4	111.3	D159 L160 Q165 Y168 D174	D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; R162-Q165 PolarHBondContact O-N 3.38Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å
163	I	97.8	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-35.2	-175	-66.9	166.1	0	0	0	111.3	V73 Y74 L120 Y156 D159 L160 Q165 Y168	V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å; L160-I163 PolarHBondContact O-N 2.76Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å
164	A	96.4	Very high	97.4	Very high	7 Å²	7	48 Å²	48	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.5	-178.9	0	0	0	0	0	114.4	L120 L160	L120-A164 HydrophobicContact CD2-CB 4.12Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å
165	Q	96.6	Very high	97.4	Very high	83 Å²	83	46.9 Å²	46.9	39%	0.388	24%	0.242	S	C	.	.	S	Bend	trans	-62.8	141.6	178.2	-60.5	-58.2	-48.1	0	0	111.5	R70 E161 R162 I163 D167 Y168	R70-Q165 PolarHBondContact NH2-O 3.48Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å; R162-Q165 PolarHBondContact O-N 3.38Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å
166	S	93	Very high	97.4	Very high	104 Å²	104	44 Å²	44	73%	0.727	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.8	-178.6	65.8	0	0	0	0	113.3	R70	R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å
167	D	94.9	Very high	97.3	Very high	120 Å²	120	46 Å²	46	64%	0.642	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	10.9	177.6	65.8	-27.3	0	0	0	113.2	Q165 I169	Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; D167-I169 PolarHBondContact O-N 3.06Å
168	Y	97.6	Very high	97.3	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	24%	0.239	C	C	.	.			trans	-54.6	126.8	177.7	170.9	-122.1	0	0	0	112	R70 V73 Y74 R162 I163 Q165 P170 D174	R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å
169	I	97.8	Very high	97.2	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.277	22%	0.218	S	C	.	.			trans	-119.9	125.7	169.1	-58.2	166.8	0	0	0	107.4	E63 C66 D167 T171	E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; D167-I169 PolarHBondContact O-N 3.06Å; I169-T171 PolarHBondContact O-N 3.08Å
170	P	98.5	Very high	97.1	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	23%	0.228	C	C	.	.			trans	-53.9	137.7	175.2	-29	36.7	0	0	0	112.9	C66 R70 V73 Y168 D174 V175	C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å; R70-P170 HydrophobicContact CB-CG 3.98Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; P170-D174 HydrophobicContact CB-CB 3.95Å; P170-V175 HydrophobicContact CB-CG2 4.36Å
171	T	98	Very high	96.9	Very high	62 Å²	62	50.8 Å²	50.8	38%	0.38	26%	0.256	S	S	.	.			trans	-78	164.1	167	64.4	0	0	0	0	109.6	I169 Q173 D174 V175	I169-T171 PolarHBondContact O-N 3.08Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å
172	Q	97.5	Very high	96.9	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	24%	0.241	S	C	.	.	H	α-helix	trans	-58	-29.3	170.7	-61.4	-169.2	23.9	0	0	111.9	I55 Y61 V175 L176	I55-Q172 HydrophobicContact CD1-CB 4.19Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å
173	Q	97.8	Very high	96.7	Very high	62 Å²	62	48.8 Å²	48.8	29%	0.29	26%	0.258	S	S	.	.	H	α-helix	trans	-68.5	-39.9	175.1	-168.1	63.1	9.2	0	0	112.4	Y155 T171 V175 L176 R177 T328	Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-L176 PolarHBondContact O-N 3.44Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å
174	D	98.3	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-47.4	171.2	-60.2	-50.2	0	0	0	109.7	V73 Y155 Y156 R162 Y168 P170 T171 L176 R177 T178	V73-D174 HydrophobicContact CG2-CB 4.13Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å; P170-D174 HydrophobicContact CB-CB 3.95Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å
175	V	98.2	Very high	96.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-44.3	177.3	175.9	0	0	0	0	111.5	K51 Y61 Y69 P170 T171 Q172 Q173 R177 T178	K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; P170-V175 HydrophobicContact CB-CG2 4.36Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å
176	L	98	Very high	96.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-34.9	176.5	-75.4	172.8	0	0	0	113.1	T48 K51 Q52 I55 Q172 Q173 D174 T328	T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å; Q173-L176 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; L176-T328 HydrophobicContact CB-CG2 4.47Å
177	R	97.9	Very high	96.5	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-83.5	-12.6	-179.7	-68.1	-76.7	-178.2	-173.5	0.3	113.2	S152 Y155 Y156 Q173 D174 V175 D273 T328	S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; R177-D273 IonicContact NH2-OD2 4Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å
178	T	97.9	Very high	96.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.043	24%	0.244	C	C	.	.			trans	-64.4	139.8	176.1	59.8	0	0	0	0	112.1	K51 Y69 V72 V73 N76 Y156 D174 V175	K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å
179	R	95.9	Very high	96.4	Very high	47 Å²	47	50.5 Å²	50.5	18%	0.177	26%	0.263	C	S	.	.			trans	-114.5	112.8	178.2	174.8	57	179.1	136	-1.6	109.6	E43 N76 K181	E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å; R179-K181 VanDerWaalsContact NH1-CA 3.34Å
180	V	95.5	Very high	96.2	Very high	83 Å²	83	48.3 Å²	48.3	50%	0.503	25%	0.251	S	S	.	.			trans	-121.2	133.7	166.2	-177.5	0	0	0	0	107.7	V72 T182	V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å
181	K	94.6	Very high	95.9	Very high	145 Å²	145	51.8 Å²	51.8	63%	0.63	27%	0.272	S	S	*	.			trans	-66.3	108.2	173.9	-71.2	-178.3	-177.8	177	0	109	R179 T183	R179-K181 VanDerWaalsContact NH1-CA 3.34Å; K181-T183 PolarHBondContact O-N 2.84Å
182	T	94.5	Very high	95.6	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.129	26%	0.263	C	S	.	.			trans	-62.1	124.7	173.3	-43.3	0	0	0	0	109.6	S47 V180 V186 G203	S47-T182 PolarHBondContact OG-OG1 3.03Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å; T182-V186 HydrophobicContact CG2-CG2 4.32Å; T182-G203 WeakPolarHBondContact O-CA 3.4Å
183	T	93.7	Very high	95.1	Very high	103 Å²	103	51.4 Å²	51.4	63%	0.632	26%	0.264	S	S	*	.			trans	-117.8	139.3	174.4	61.2	0	0	0	0	108.6	K181 E208	K181-T183 PolarHBondContact O-N 2.84Å; T183-E208 WeakPolarHBondContact CA-OE2 3.24Å
184	G	94	Very high	94.6	Very high	18 Å²	18	54.6 Å²	54.6	19%	0.186	28%	0.284	C	S	.	.	S	Bend	trans	70.5	-144.1	-177.1	0	0	0	0	0	113.7	G203 E208	G184-G203 PolarHBondContact O-N 3.21Å; G184-E208 PolarHBondContact N-OE2 3.23Å
185	I	95	Very high	94.3	Very high	70 Å²	70	55.5 Å²	55.5	36%	0.359	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.3	-174.9	-60	157.6	0	0	0	107	F200 V202 H214 C215	I185-F200 HydrophobicContact CG2-CD1 3.94Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; I185-H214 HydrophobicContact CD1-CB 3.96Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å
186	V	95.3	Very high	94	Very high	66 Å²	66	59.9 Å²	59.9	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.3	175.4	180	0	0	0	0	107.9	T182 F200 D201	T182-V186 HydrophobicContact CG2-CG2 4.32Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å
187	E	95.8	Very high	93.9	Very high	84 Å²	84	59.9 Å²	59.9	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.8	175.6	-172	173.1	179	0	0	109.4	H189 M199 F200	E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å
188	T	95	Very high	93.8	Very high	27 Å²	27	60.5 Å²	60.5	17%	0.166	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.4	176.3	-58.7	0	0	0	0	108.7	V50 M199	V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å
189	H	95	Very high	93.7	Very high	94 Å²	94	60.1 Å²	60.1	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	-177.9	-57.3	-96.8	0	0	0	109.1	E187 F197	E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å
190	F	94.4	Very high	93.8	Very high	8 Å²	8	59 Å²	59	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	162.1	168.3	56.9	-84.7	0	0	0	109.5	M53 H57 E58 F192 F197 M199 F337	M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; E58-F190 HydrophobicContact CG-CB 4.28Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å
191	T	91.8	Very high	93.9	Very high	77 Å²	77	55.2 Å²	55.2	47%	0.472	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.5	177.5	-59.5	0	0	0	0	110	L195 H196	T191-L195 WeakPolarHBondContact CA-O 3.3Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å
192	F	91.1	Very high	94	Very high	41 Å²	41	48.4 Å²	48.4	18%	0.18	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	133.6	178.2	178.1	-123.4	0	0	0	110.3	H57 F190 D194 L195 F197 F337 D338 T341	H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å
193	K	88.6	Confident	94.1	Very high	81 Å²	81	47.4 Å²	47.4	35%	0.352	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	46	-177.7	-70.2	178.8	161.3	174.6	0	113.4	L195 D338 T341 D342 I345	K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; K193-I345 HydrophobicContact CD-CD1 4.32Å
194	D	85.9	Confident	94.1	Very high	129 Å²	129	42.6 Å²	42.6	69%	0.69	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	11.3	-176.9	-57.7	-44.6	0	0	0	115.8	F192	F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å
195	L	91.4	Very high	94.2	Very high	19 Å²	19	42.9 Å²	42.9	10%	0.099	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.4	173.3	-61.4	173.6	0	0	0	110.8	R32 V34 T191 F192 K193 F197 T341 I345	R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; T191-L195 WeakPolarHBondContact CA-O 3.3Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å
196	H	92.7	Very high	94.2	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.426	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.9	174.6	-61.5	-61.1	0	0	0	109.3	R32 E33 V34 T191	R32-H196 PolarHBondContact O-N 3.27Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; V34-H196 PolarHBondContact N-O 2.75Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å
197	F	95.1	Very high	94.2	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132	179.9	-72.9	-92.9	0	0	0	110.7	V34 L36 H189 F190 F192 L195 F337 T341	V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å
198	K	95.8	Very high	94.2	Very high	56 Å²	56	41.9 Å²	41.9	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	102.3	164.5	-63.6	-175.1	174.3	161.9	0	108.3	E33 V34 K35 L36 F200	E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å; V34-K198 PolarHBondContact O-N 3.09Å; K35-K198 WeakPolarHBondContact CA-O 3.32Å; L36-K198 PolarHBondContact N-O 3.39Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å
199	M	96.8	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123	-178.5	-175.9	173.8	-75.3	0	0	110.4	L36 L38 V50 M53 E187 T188 F190 F337	L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å
200	F	97.6	Very high	94.1	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.3	180	-67.5	-94.8	0	0	0	109.8	K35 L36 L37 L38 I185 V186 E187 K198	K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; L36-F200 PolarHBondContact O-N 3.16Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L38-F200 PolarHBondContact N-O 3.28Å; I185-F200 HydrophobicContact CG2-CD1 3.94Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å
201	D	97.5	Very high	94.2	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131	170	-178.3	33.3	0	0	0	110.4	L38 K46 S47 V50 V186	L38-D201 HydrophobicContact CD1-CB 4.2Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å; V50-D201 HydrophobicContact CG2-CB 3.63Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å
202	V	97.1	Very high	94.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.5	-175.7	-60.9	0	0	0	0	110.8	L37 L38 L39 K46 I185 G204 W212	L37-V202 HydrophobicContact CD1-CG1 4.41Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; V202-G204 PolarHBondContact O-N 3.21Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å
203	G	96.2	Very high	94.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.01	23%	0.234	C	C	.	.			trans	-53.8	128.1	174.3	0	0	0	0	0	111.9	T182 G184 E208 W212	T182-G203 WeakPolarHBondContact O-CA 3.4Å; G184-G203 PolarHBondContact O-N 3.21Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; G203-W212 PolarHBondContact O-NE1 3.14Å
204	G	94.9	Very high	94.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	25%	0.249	C	C	.	.			trans	-89.8	-17.2	-175.6	0	0	0	0	0	115.1	G40 G42 V202 R209	G40-G204 WeakPolarHBondContact O-CA 3.29Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å; V202-G204 PolarHBondContact O-N 3.21Å; G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å
205	Q	95.3	Very high	95.1	Very high	25 Å²	25	46.3 Å²	46.3	12%	0.117	22%	0.217	C	C	.	.	S	Bend	trans	-65.3	151.1	-178.9	-62.1	86.7	-21.2	0	0	110.3	S207 E208 R209 E237	Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å
206	R	95	Very high	95.3	Very high	89 Å²	89	46.2 Å²	46.2	34%	0.336	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.4	-176	-76.4	-176.8	170.2	173.5	-0	113	E208 E237 D238 E246	R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; R206-E237 PolarHBondContact N-OE1 3.18Å; R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å
207	S	94.6	Very high	95.2	Very high	89 Å²	89	49.2 Å²	49.2	62%	0.622	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.2	178	62.1	0	0	0	0	113.9	Q205	Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å
208	E	96.1	Very high	95	Very high	20 Å²	20	52 Å²	52	9%	0.093	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-20.7	-173.4	-61	-56.7	102.3	0	0	112.8	T183 G184 G203 Q205 R206 K210 K211	T183-E208 WeakPolarHBondContact CA-OE2 3.24Å; G184-E208 PolarHBondContact N-OE2 3.23Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å
209	R	95.3	Very high	94.9	Very high	52 Å²	52	50 Å²	50	20%	0.196	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.7	-25.8	-170.6	-53.9	-169	-165.2	154.1	2	114.8	G204 Q205 K211 W212 E246	G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; R209-K211 PolarHBondContact O-N 3.24Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å
210	K	94.2	Very high	94.7	Very high	184 Å²	184	51.5 Å²	51.5	80%	0.8	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-61	-26.4	174.2	-68.2	-177.8	-179.7	177.5	0	112.2	E208 W212 I213	E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; K210-W212 VanDerWaalsContact C-N 3.3Å; K210-I213 WeakPolarHBondContact O-CG2 3.28Å
211	K	95.5	Very high	94.6	Very high	75 Å²	75	50.5 Å²	50.5	33%	0.326	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-77.5	-16	-179.5	-56.1	175.2	-174.4	167.9	0	112.6	E208 R209 I213 H214	E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å; R209-K211 PolarHBondContact O-N 3.24Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å
212	W	96	Very high	94.6	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.038	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-61.6	-34.3	-174.3	-66.8	4.5	0	0	0	113.3	L39 V202 G203 R209 K210 H214 C215 F216 L250 I254	L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å; G203-W212 PolarHBondContact O-NE1 3.14Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; K210-W212 VanDerWaalsContact C-N 3.3Å; W212-H214 PolarHBondContact O-N 2.74Å; W212-C215 PolarHBondContact O-N 3.36Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å
213	I	92.8	Very high	94.6	Very high	80 Å²	80	50.2 Å²	50.2	41%	0.41	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.4	179.8	-168.6	60	0	0	0	112.6	K210 K211 C215 F216 W259	K210-I213 WeakPolarHBondContact O-CG2 3.28Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; I213-C215 PolarHBondContact O-N 3.37Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; I213-W259 HydrophobicContact CD1-CZ2 4.48Å
214	H	93.4	Very high	94.7	Very high	146 Å²	146	50.1 Å²	50.1	68%	0.676	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-68.5	-11.9	177.7	-59.2	-59.9	0	0	0	113.7	I185 K211 W212	I185-H214 HydrophobicContact CD1-CB 3.96Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å; W212-H214 PolarHBondContact O-N 2.74Å
215	C	94.9	Very high	94.9	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.02	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-107.2	-2.2	178.7	-58.2	0	0	0	0	113.7	K35 L37 I185 W212 I213 E217 V219	K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å; W212-C215 PolarHBondContact O-N 3.36Å; I213-C215 PolarHBondContact O-N 3.37Å; C215-E217 PolarHBondContact O-N 2.71Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å
216	F	94.2	Very high	95.1	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.075	25%	0.249	C	C	.	.			trans	-77.2	-18.5	-166.8	-78.2	17.3	0	0	0	114.5	L37 L39 W212 I213 I254 W259 F260	L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å
217	E	92.2	Very high	95.2	Very high	155 Å²	155	45.2 Å²	45.2	72%	0.724	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	137.2	177.7	-173.8	172.9	-165.9	0	0	111.7	K35 C215 V219	K35-E217 PolarHBondContact NZ-O 2.96Å; C215-E217 PolarHBondContact O-N 2.71Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å
218	G	90.3	Very high	95.4	Very high	62 Å²	62	41 Å²	41	64%	0.639	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	24.5	171.9	0	0	0	0	0	115.2	K35 T220	K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; G218-T220 PolarHBondContact O-N 3.26Å
219	V	94.3	Very high	95.5	Very high	13 Å²	13	40 Å²	40	8%	0.079	20%	0.204	C	C	.	.			trans	-74.5	120.1	178.5	-179.7	0	0	0	0	110.2	K35 L37 C215 E217 A221 I222 F260 T263	K35-V219 HydrophobicContact CD-CG2 4.41Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å
220	T	92.5	Very high	95.6	Very high	32 Å²	32	38 Å²	38	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	-73.4	-47.9	175.2	-45.9	0	0	0	0	110.8	V34 K35 G218 I344 N348	V34-T220 HydrophobicContact CG1-CG2 4.01Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; G218-T220 PolarHBondContact O-N 3.26Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å
221	A	94.8	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.3	177.7	0	0	0	0	0	112.7	K35 L36 L37 V219 S264 I266 I344	K35-A221 PolarHBondContact O-N 3.03Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L37-A221 PolarHBondContact N-O 2.73Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; A221-I266 HydrophobicContact CB-CD1 3.77Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å
222	I	96.8	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.5	173.1	-64.2	170.6	0	0	0	108.5	L37 L39 V219 F224 I254 F260 T263 S264 I265 I266	L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; I222-S264 PolarHBondContact N-O 2.87Å; I222-I265 HydrophobicContact CB-CG1 4.41Å; I222-I266 PolarHBondContact O-N 2.94Å
223	I	97.7	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.6	164.4	-64.5	170.3	0	0	0	106.8	L36 L37 L38 L39 I266 F268 F337	L36-I223 HydrophobicContact CD1-CD1 4.23Å; L37-I223 PolarHBondContact O-N 2.75Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å; L39-I223 PolarHBondContact N-O 3.19Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å
224	F	98.5	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.1	177	-166.1	-83.1	0	0	0	110	L39 I222 V226 L250 F251 I254 I266 L267 F268	L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; F224-I266 PolarHBondContact N-O 3.06Å; F224-L267 HydrophobicContact CD1-CD1 4.09Å; F224-F268 PolarHBondContact O-N 3.46Å
225	C	98.6	Very high	96.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.7	-179.7	-60.9	0	0	0	0	111.6	L39 S44 K46	L39-C225 PolarHBondContact O-N 3.27Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; K46-C225 HydrophobicContact CG-CB 3.96Å
226	V	98.8	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133	174	-180	0	0	0	0	108.6	F224 L228 M244 L267 F268 L269 N270 F308	F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; V226-L228 PolarHBondContact O-N 3.32Å; V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; V226-F268 PolarHBondContact N-O 3.16Å; V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å
227	A	98.5	Very high	96.2	Very high	11 Å²	11	24.8 Å²	24.8	9%	0.091	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	106.2	168.7	0	0	0	0	0	109.5	S229 A230 M244 K271	A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; A227-K271 HydrophobicContact CB-CD 3.93Å
228	L	98.7	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-57.5	-43.8	175.8	-76.9	176.3	0	0	0	111.4	V226 A230 Y231 L269 N270 K272 F275 I304 F324	V226-L228 PolarHBondContact O-N 3.32Å; L228-A230 PolarHBondContact O-N 3.12Å; L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; L228-K272 HydrophobicContact CD1-CB 4.22Å; L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å
229	S	97.9	Very high	96.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-65.2	-4.6	-179.4	65.2	0	0	0	0	115	A227 K271 K278	A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; S229-K278 PolarHBondContact O-NZ 3.34Å
230	A	97.9	Very high	96.3	Very high	8 Å²	8	32.9 Å²	32.9	7%	0.066	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-91.5	4.2	-177	0	0	0	0	0	114.3	A227 L228 D232 L233 R243	A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; L228-A230 PolarHBondContact O-N 3.12Å; A230-D232 PolarHBondContact O-N 3.25Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; A230-R243 HydrophobicContact CB-CB 3.93Å
231	Y	98.2	Very high	96.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28	-177.5	71.3	-85.8	0	0	0	114.1	L228 N242 F275 K278 I279 S282 L284 C287	L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; Y231-N242 PolarHBondContact O-ND2 3.49Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å
232	D	97.5	Very high	96.7	Very high	14 Å²	14	33.5 Å²	33.5	8%	0.075	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.1	179.7	68.9	-15.3	0	0	0	113.6	A230 K278 S282 I286	A230-D232 PolarHBondContact O-N 3.25Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å
233	L	97.5	Very high	96.7	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	18%	0.182	C	C	.	.			trans	-111.1	153.6	-177.9	-57.8	-177.3	0	0	0	111.8	R145 A230 N242 R243	R145-L233 HydrophobicContact CB-CD2 3.87Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å
234	V	97.1	Very high	96.8	Very high	50 Å²	50	35 Å²	35	30%	0.303	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	157.6	167.8	-61	0	0	0	0	111.2	Q148 E239 M241 R243	Q148-V234 PolarHBondContact NE2-O 2.85Å; V234-E239 WeakPolarHBondContact CG1-O 3.32Å; V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å
235	L	95.8	Very high	96.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	146.8	177.8	-66.4	173.6	0	0	0	110.6	E237 D238 M241 R243 E246	L235-E237 PolarHBondContact O-N 3.01Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å
236	A	93.2	Very high	96.7	Very high	57 Å²	57	38.8 Å²	38.8	47%	0.471	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.1	170.7	0	0	0	0	0	111.4	Q148	Q148-A236 HydrophobicContact CG-CB 4.3Å
237	E	93.6	Very high	96.7	Very high	89 Å²	89	39 Å²	39	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.8	178.3	-54.3	100.1	129.3	0	0	114.1	Q205 R206 L235	Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å; R206-E237 PolarHBondContact N-OE1 3.18Å; L235-E237 PolarHBondContact O-N 3.01Å
238	D	94	Very high	96.7	Very high	48 Å²	48	39.6 Å²	39.6	26%	0.257	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	99.6	-171	-175	-15.8	0	0	0	110.2	R206 L235 E240 M241	R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å
239	E	91.3	Very high	96.7	Very high	165 Å²	165	45.8 Å²	45.8	77%	0.771	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	-9.4	-172.9	-64.4	-177.3	175.8	0	0	113.9	V234	V234-E239 WeakPolarHBondContact CG1-O 3.32Å
240	E	94	Very high	96.7	Very high	186 Å²	186	46.3 Å²	46.3	87%	0.869	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	-21.4	174.9	-61.5	-172.1	156	0	0	112.1	D238	D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å
241	M	96.6	Very high	96.7	Very high	23 Å²	23	46 Å²	46	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.4	-174.6	-173.8	71.1	-163.7	0	0	111.6	V234 L235 D238 R243 H245 E246 K249	V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å; M241-R243 PolarHBondContact O-N 2.89Å; M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; M241-K249 HydrophobicContact CE-CD 3.77Å
242	N	97.9	Very high	96.7	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.5	171.2	179.3	-79.3	0	0	0	112	Y231 L233 M244 H245 E246	Y231-N242 PolarHBondContact O-ND2 3.49Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; N242-E246 PolarHBondContact O-N 3.5Å
243	R	98	Very high	96.7	Very high	29 Å²	29	51 Å²	51	11%	0.109	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-35.9	-175.6	-65.6	-162.8	176.1	-162.3	-5.1	113.3	E43 A230 L233 V234 L235 M241 E246 S247	E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; A230-R243 HydrophobicContact CB-CB 3.93Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; M241-R243 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact O-N 3.15Å; R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å
244	M	98.4	Very high	96.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-44.7	178.6	-177.5	63.8	73.5	0	0	111.1	V226 A227 N242 E246 S247 M248 F288 I304 F308	V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å
245	H	98.3	Very high	96.6	Very high	70 Å²	70	47.9 Å²	47.9	32%	0.324	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-37.6	172.9	-79.1	-57.1	0	0	0	112.3	M241 N242 M248 K249 C287 F288	M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; H245-M248 PolarHBondContact O-N 3.3Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; H245-C287 PolarHBondContact NE2-O 3.5Å; H245-F288 AromaticContact CE1-CE1 3.98Å
246	E	98.1	Very high	96.7	Very high	11 Å²	11	49 Å²	49	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-48.2	173.8	177	76.8	172.5	0	0	110	R206 R209 L235 M241 N242 R243 M244 M248 K249 L250	R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; N242-E246 PolarHBondContact O-N 3.5Å; R243-E246 PolarHBondContact O-N 3.15Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; E246-K249 PolarHBondContact O-N 3.39Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å
247	S	98.6	Very high	96.8	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-39.6	178	-168.6	0	0	0	0	112.1	R243 M244 L250 F251	R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å
248	M	98.7	Very high	96.8	Very high	23 Å²	23	52.8 Å²	52.8	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-48.9	175.4	-73.7	178.7	67.6	0	0	112.4	M244 H245 E246 L250 F251 D252 F288 K307 F308 L311	M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; H245-M248 PolarHBondContact O-N 3.3Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; M248-L250 PolarHBondContact O-N 2.7Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; M248-D252 PolarHBondContact O-N 3.15Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å
249	K	98.2	Very high	96.7	Very high	129 Å²	129	57.8 Å²	57.8	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-55.9	-40.1	175	-73.4	176.5	-176.6	174.5	0	111.6	M241 H245 E246 S253	M241-K249 HydrophobicContact CE-CD 3.77Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; E246-K249 PolarHBondContact O-N 3.39Å; K249-S253 PolarHBondContact O-N 2.75Å
250	L	97.8	Very high	96.9	Very high	13 Å²	13	50 Å²	50	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-44	179.7	-141	167	0	0	0	110.8	A41 W212 F224 E246 S247 M248 S253 I254	A41-L250 HydrophobicContact CB-CD1 4.36Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; M248-L250 PolarHBondContact O-N 2.7Å; L250-S253 PolarHBondContact O-N 3.34Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å
251	F	98.5	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-46.5	175.1	-175.1	-108.9	0	0	0	112.1	F224 S247 M248 S253 I254 C255 I265 L267 F308 L311 I320	F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; F251-S253 PolarHBondContact O-N 2.85Å; F251-I254 PolarHBondContact O-N 3.39Å; F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å
252	D	98.3	Very high	96.4	Very high	48 Å²	48	50.1 Å²	50.1	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-53.8	-41.9	176.1	180	48.6	0	0	0	111.7	M248 N256 L311 K313	M248-D252 PolarHBondContact O-N 3.15Å; D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å
253	S	97	Very high	96.1	Very high	71 Å²	71	49.8 Å²	49.8	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-35.4	177.3	-179.8	0	0	0	0	113.3	K249 L250 F251 N257	K249-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-N 3.34Å; F251-S253 PolarHBondContact O-N 2.85Å; S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å
254	I	96.7	Very high	95.8	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-81	-51.7	-179.2	-65.4	-55.3	0	0	0	111.2	L39 W212 F216 I222 F224 L250 F251 N256 N257 F260	L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å; F251-I254 PolarHBondContact O-N 3.39Å; I254-N256 PolarHBondContact O-N 3.23Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å
255	C	96.7	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-23.7	-173.7	73	0	0	0	0	113	F251 I265 R314 I320	F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; C255-R314 PolarHBondContact O-NH2 3.37Å; C255-I320 HydrophobicContact CB-CD1 4.47Å
256	N	96.8	Very high	95.6	Very high	33 Å²	33	46 Å²	46	18%	0.176	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.9	175.9	-59.3	-56.6	0	0	0	113.7	D252 I254 L311 K313	D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; I254-N256 PolarHBondContact O-N 3.23Å; N256-L311 PolarHBondContact ND2-O 3.27Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å
257	N	94.6	Very high	95.6	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.214	23%	0.227	C	C	.	.			trans	-67.5	144	177.6	-156.6	-54.3	0	0	0	111.1	S253 I254 W259 F260 R314	S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; N257-W259 PolarHBondContact OD1-N 2.83Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; N257-R314 PolarHBondContact O-NH2 3.15Å
258	K	93.9	Very high	95.6	Very high	185 Å²	185	45.4 Å²	45.4	80%	0.804	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-69.5	-32.4	176.6	-67.3	-174.6	179	-177.7	0	112.8	F260 T261	K258-F260 PolarHBondContact O-N 3.39Å; K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å
259	W	93.3	Very high	95.6	Very high	153 Å²	153	44.3 Å²	44.3	58%	0.58	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.5	-26	173.9	-76.7	99.6	0	0	0	112.6	I213 F216 N257	I213-W259 HydrophobicContact CD1-CZ2 4.48Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; N257-W259 PolarHBondContact OD1-N 2.83Å
260	F	93.9	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-117.1	43.4	-175.8	-51.2	-45.8	0	0	0	110.4	L37 L39 F216 V219 I222 I254 N257 K258 T263 K318	L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; K258-F260 PolarHBondContact O-N 3.39Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; F260-K318 PolarHBondContact O-NZ 2.98Å
261	T	91.5	Very high	95.7	Very high	60 Å²	60	38.9 Å²	38.9	37%	0.368	20%	0.196	S	C	.	.	S	Bend	trans	-68.6	-55.6	176.9	-58.8	0	0	0	0	109.1	K258 K318	K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å; T261-K318 PolarHBondContact O-NZ 3.4Å
262	D	88.8	Confident	95.7	Very high	153 Å²	153	41.7 Å²	41.7	82%	0.818	21%	0.209	S	C	*	.	S	Bend	trans	-93.2	-5.2	-175.8	-48.5	-51.3	0	0	0	113.6
263	T	92.3	Very high	95.6	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.098	21%	0.208	C	C	.	.	S	Bend	trans	-71.4	130.1	178.5	-52.4	0	0	0	0	111.7	V219 I222 F260 K318	V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å
264	S	92.2	Very high	95.7	Very high	19 Å²	19	39.9 Å²	39.9	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.4	173.5	-68.1	0	0	0	0	111.1	A221 I222 N347	A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; I222-S264 PolarHBondContact N-O 2.87Å; S264-N347 PolarHBondContact OG-ND2 3.47Å
265	I	95.7	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.8	178.6	-58.8	-173.8	0	0	0	109.9	I222 F251 C255 I320 Y321	I222-I265 HydrophobicContact CB-CG1 4.41Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; I265-Y321 PolarHBondContact O-N 3.39Å
266	I	97.1	Very high	95.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	173.5	-57.1	103.8	0	0	0	108.2	A221 I222 I223 F224 F268 Y321 V340	A221-I266 HydrophobicContact CB-CD1 3.77Å; I222-I266 PolarHBondContact O-N 2.94Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; F224-I266 PolarHBondContact N-O 3.06Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å
267	L	98.2	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.2	177.9	177.7	63.9	0	0	0	109.7	F224 V226 F251 L269 F308 I320 Y321 T322 H323	F224-L267 HydrophobicContact CD1-CD1 4.09Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; L267-Y321 PolarHBondContact N-O 3.3Å; L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L267-H323 PolarHBondContact O-N 2.88Å
268	F	98.6	Very high	96	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105.8	172.6	-79.7	8.2	0	0	0	109.9	I49 I223 F224 V226 I266 N270 H323 T325 V336 V340	I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; F224-F268 PolarHBondContact O-N 3.46Å; V226-F268 PolarHBondContact N-O 3.16Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å
269	L	98.7	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	84.5	168.4	-61.8	-179.3	0	0	0	108.2	V226 L228 L267 Q305 F308 T322 H323 F324 T325	V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; L269-H323 PolarHBondContact N-O 3.32Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; L269-T325 PolarHBondContact O-N 3.42Å
270	N	98.7	Very high	96.3	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	167.8	-169	-170.9	35	0	0	0	113	S44 V226 L228 F268 K272 T325 A327	S44-N270 PolarHBondContact O-ND2 2.85Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å
271	K	98.3	Very high	96.4	Very high	25 Å²	25	44 Å²	44	11%	0.109	23%	0.225	C	C	.	.			trans	60.1	38.9	-177	-49.6	-175.6	-172.5	178.1	0	112	E43 D151 A227 S229 D273 L274 F275 T325	E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; A227-K271 HydrophobicContact CB-CD 3.93Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K271-T325 PolarHBondContact N-O 2.97Å
272	K	98.1	Very high	96.6	Very high	60 Å²	60	41.2 Å²	41.2	26%	0.261	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-32.4	178.2	73.4	176.9	-172.7	169.7	0	112.1	L228 N270 F275 E276 Y297 F324 T325 C326	L228-K272 HydrophobicContact CD1-CB 4.22Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; K272-F275 PolarHBondContact O-N 3.12Å; K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; K272-Y297 HydrophobicContact CB-CE2 3.98Å; K272-F324 HydrophobicContact CD-CB 4.11Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; K272-C326 HydrophobicContact CG-CB 4.25Å
273	D	97.4	Very high	97	Very high	46 Å²	46	36.1 Å²	36.1	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-52.6	175.7	57.7	-40.1	0	0	0	111.3	R177 K271 F275 E276 E277 C326	R177-D273 IonicContact NH2-OD2 4Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; D273-E276 PolarHBondContact O-N 3.35Å; D273-E277 PolarHBondContact O-N 2.97Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å
274	L	97.8	Very high	97.3	Very high	35 Å²	35	35.4 Å²	35.4	18%	0.183	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-32.8	178.5	-59.1	-178.4	0	0	0	111.8	D151 K271 K278	D151-L274 HydrophobicContact CB-CD1 3.67Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å
275	F	98.5	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-44.2	175.7	177.8	-104.7	0	0	0	112.1	L228 Y231 K271 K272 D273 E277 K278 I279 Y297 A300 A301 I304	L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K272-F275 PolarHBondContact O-N 3.12Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; F275-K278 PolarHBondContact O-N 2.76Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; F275-A301 HydrophobicContact CE1-CB 3.91Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å
276	E	98.2	Very high	97.6	Very high	107 Å²	107	40.8 Å²	40.8	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-41.9	178.4	-179.5	167.7	-149.3	0	0	112	K272 D273 I279 Y297	K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; D273-E276 PolarHBondContact O-N 3.35Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å
277	E	96.7	Very high	97.7	Very high	131 Å²	131	40.8 Å²	40.8	61%	0.612	21%	0.209	S	C	*	.	H	α-helix	trans	-66.7	-51.5	173.3	-172.7	-175.1	162.5	0	0	111.1	D273 F275 I279 T280 H281	D273-E277 PolarHBondContact O-N 2.97Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; E277-I279 PolarHBondContact O-N 3.28Å; E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å
278	K	97.3	Very high	97.7	Very high	34 Å²	34	40.9 Å²	40.9	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-38.3	-171.1	-173	-175.2	-86.1	-161.2	0	114	S229 Y231 D232 L274 F275 T280 H281 S282	S229-K278 PolarHBondContact O-NZ 3.34Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å; F275-K278 PolarHBondContact O-N 2.76Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; K278-S282 PolarHBondContact O-N 3.43Å
279	I	97.9	Very high	97.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-25.7	-176.3	-167.2	60.1	0	0	0	112.4	Y231 F275 E276 E277 H281 L284 N295 A300	Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E277-I279 PolarHBondContact O-N 3.28Å; I279-H281 PolarHBondContact O-N 3.26Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å
280	T	96.6	Very high	97.6	Very high	104 Å²	104	50.6 Å²	50.6	64%	0.638	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.1	178.6	66.7	0	0	0	0	113.9	E277 K278	E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å
281	H	95.3	Very high	97.5	Very high	124 Å²	124	51.2 Å²	51.2	57%	0.574	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	-7.1	-174.7	54.9	-96.6	0	0	0	114.6	E277 K278 I279	E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; I279-H281 PolarHBondContact O-N 3.26Å
282	S	96.6	Very high	97.5	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	-125.5	108.1	174.2	-168.4	0	0	0	0	109.2	R145 Y231 D232 K278	R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; K278-S282 PolarHBondContact O-N 3.43Å
283	P	97.3	Very high	97.4	Very high	46 Å²	46	55.4 Å²	55.4	30%	0.299	30%	0.304	S	S	.	.			trans	-69	143.4	-170.6	27.4	-35.3	0	0	0	112.6	T285 I286 N295	P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å
284	L	98.3	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-62.6	-23	-179.8	-172.6	60.4	0	0	0	112.8	Y231 I279 I286 C287 F288 Y291 N295 A300 Y303 I304	Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å; L284-C287 PolarHBondContact O-N 3.44Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å
285	T	98.1	Very high	97.3	Very high	58 Å²	58	56.3 Å²	56.3	36%	0.356	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.8	-14.7	178.2	52.3	0	0	0	0	114.5	P283 C287 F288 P289 Y291	P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; T285-P289 WeakPolarHBondContact O-CA 3.35Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å
286	I	96.8	Very high	97.3	Very high	74 Å²	74	62.8 Å²	62.8	38%	0.379	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-60.4	-40.7	168.9	-67.8	167.2	0	0	0	110.9	D232 P283 L284	D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å
287	C	98	Very high	97.3	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.014	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-41.5	178.3	-171.2	0	0	0	0	111.9	Y231 H245 L284 T285 P289	Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å; H245-C287 PolarHBondContact NE2-O 3.5Å; L284-C287 PolarHBondContact O-N 3.44Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å
288	F	98.2	Very high	97.3	Very high	2 Å²	2	59 Å²	59	1%	0.009	33%	0.327	C	S	.	.			trans	-125.3	81.5	-173.2	-57.6	-73.6	0	0	0	110	M244 H245 M248 L284 T285 E290 Y291 Y303 I304 K307	M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; H245-F288 AromaticContact CE1-CE1 3.98Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å
289	P	97.9	Very high	97.3	Very high	104 Å²	104	61.9 Å²	61.9	68%	0.675	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.2	-176.1	-27.3	35.8	0	0	0	114.5	T285 C287 Y291	T285-P289 WeakPolarHBondContact O-CA 3.35Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å; P289-Y291 VanDerWaalsContact C-N 3.34Å
290	E	97.1	Very high	97.4	Very high	102 Å²	102	61.8 Å²	61.8	48%	0.477	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.2	177.6	77.4	-79.6	-164.1	0	0	114.6	F288 T292 Y303 K307	F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; E290-T292 PolarHBondContact O-N 3.46Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å
291	Y	98.1	Very high	97.4	Very high	17 Å²	17	56.9 Å²	56.9	7%	0.067	31%	0.31	C	S	.	.			trans	-68.3	124.5	179.1	-179.8	-109.9	0	0	0	111.4	L284 T285 F288 P289 G293 A294 A300 Y303	L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; P289-Y291 VanDerWaalsContact C-N 3.34Å; Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å; Y291-A294 PolarHBondContact OH-O 3.15Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å
292	T	97	Very high	97.6	Very high	142 Å²	142	54.1 Å²	54.1	87%	0.871	31%	0.305	S	S	*	.			trans	-112.7	-3.4	-177.8	55.4	0	0	0	0	114	E290	E290-T292 PolarHBondContact O-N 3.46Å
293	G	95.9	Very high	97.7	Very high	30 Å²	30	56.2 Å²	56.2	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	-75.2	174.8	179.1	0	0	0	0	0	113.1	Y291	Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å
294	A	96.5	Very high	97.7	Very high	35 Å²	35	54 Å²	54	29%	0.289	30%	0.299	S	S	.	.			trans	-73.8	147.2	176.1	0	0	0	0	0	111.4	Y291 K296 E299	Y291-A294 PolarHBondContact OH-O 3.15Å; A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å
295	N	96.9	Very high	97.8	Very high	65 Å²	65	56.1 Å²	56.1	35%	0.348	31%	0.309	S	S	.	.	S	Bend	trans	-74.5	61.8	169.7	-65.9	-51.4	0	0	0	110.9	I279 P283 L284	I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å
296	K	97.6	Very high	97.8	Very high	136 Å²	136	55.4 Å²	55.4	59%	0.591	31%	0.306	S	S	*	.	S	Bend	trans	-121.5	147.7	176	-68.7	-178.6	178.8	177.1	0	108.6	A294 D298 E299 A300	A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; K296-D298 PolarHBondContact O-N 2.96Å; K296-E299 PolarHBondContact O-N 3.34Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å
297	Y	98.2	Very high	97.8	Very high	40 Å²	40	54.3 Å²	54.3	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-48.6	-58	-175.7	174.1	-97.8	0	0	0	112.8	K272 F275 E276 E299 A300 A301	K272-Y297 HydrophobicContact CB-CE2 3.98Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å; Y297-E299 PolarHBondContact O-N 3.14Å; Y297-A300 PolarHBondContact O-N 3.48Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å
298	D	97.6	Very high	97.9	Very high	120 Å²	120	54.2 Å²	54.2	64%	0.642	30%	0.298	S	S	*	.	H	α-helix	trans	-60.7	-47.6	-172.8	-64.2	-40.6	0	0	0	113.1	K296 S302	K296-D298 PolarHBondContact O-N 2.96Å; D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å
299	E	97.8	Very high	97.8	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-43.7	-178.9	-68.8	179.6	-124.7	0	0	111.7	A294 K296 Y297 Y303	A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å; K296-E299 PolarHBondContact O-N 3.34Å; Y297-E299 PolarHBondContact O-N 3.14Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å
300	A	98.5	Very high	97.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-73.2	-41.5	-177.4	0	0	0	0	0	111.8	F275 I279 L284 Y291 K296 Y297 Y303 I304	F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å; Y297-A300 PolarHBondContact O-N 3.48Å; A300-Y303 PolarHBondContact O-N 3.44Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å
301	A	98.6	Very high	97.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-44	176.3	0	0	0	0	0	111.4	F275 Y297 Y303 I304 Q305 F324	F275-A301 HydrophobicContact CE1-CB 3.91Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; A301-I304 PolarHBondContact O-N 3.03Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å
302	S	98.3	Very high	97.8	Very high	67 Å²	67	53.1 Å²	53.1	47%	0.469	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-36.8	175.8	-59.7	0	0	0	0	112.1	D298 Q305 S306	D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; S302-S306 PolarHBondContact O-N 3.41Å
303	Y	98.6	Very high	97.8	Very high	46 Å²	46	53.2 Å²	53.2	18%	0.18	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-44.1	174.7	-177.3	-91.5	0	0	0	112.3	L284 F288 E290 Y291 E299 A300 A301 Q305 S306 K307	L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å; A300-Y303 PolarHBondContact O-N 3.44Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å
304	I	98.7	Very high	97.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.2	-65.6	167.1	0	0	0	110	L228 M244 F275 L284 F288 A300 A301 S306 K307 F308	L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A301-I304 PolarHBondContact O-N 3.03Å; I304-S306 PolarHBondContact O-N 3.35Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å
305	Q	98.6	Very high	97.5	Very high	45 Å²	45	58.3 Å²	58.3	21%	0.21	28%	0.283	C	S	.	.	H	α-helix	trans	-53.3	-52.4	175.5	170.2	172.6	-0.2	0	0	111.8	L269 A301 S302 Y303 K307 F308 E309 T322 F324	L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; Q305-F308 PolarHBondContact O-N 3.06Å; Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å
306	S	98	Very high	97.1	Very high	42 Å²	42	61.9 Å²	61.9	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-38.4	-179.1	68.4	0	0	0	0	112	S302 Y303 I304 F308 E309 D310	S302-S306 PolarHBondContact O-N 3.41Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; I304-S306 PolarHBondContact O-N 3.35Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; S306-E309 PolarHBondContact O-N 3.08Å; S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å
307	K	98.5	Very high	96.8	Very high	51 Å²	51	60.5 Å²	60.5	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-36	174.7	-71.1	-68.1	-172	169.7	0	113.2	M248 F288 E290 Y303 I304 Q305 L311	M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å
308	F	98.6	Very high	96.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-77.1	-45.7	174.9	-84	-91.7	0	0	0	112	V226 M244 M248 F251 L267 L269 I304 Q305 S306 D310 L311	V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å; Q305-F308 PolarHBondContact O-N 3.06Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; F308-D310 PolarHBondContact O-N 3.33Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å
309	E	97.8	Very high	96.1	Very high	58 Å²	58	59.6 Å²	59.6	27%	0.271	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-32.7	-180	-70.7	174.7	174.7	0	0	112.2	Q305 S306 L311 N312 K315 T322	Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; S306-E309 PolarHBondContact O-N 3.08Å; E309-L311 PolarHBondContact O-N 3.38Å; E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; E309-K315 WeakPolarHBondContact O-CE 3.43Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å
310	D	97.6	Very high	95.9	Very high	99 Å²	99	56 Å²	56	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.5	175	-75.6	-19.9	0	0	0	114.2	S306 F308 N312 K315	S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å; F308-D310 PolarHBondContact O-N 3.33Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å
311	L	98.1	Very high	95.8	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.199	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.8	174.6	-61.8	170	0	0	0	112.5	M248 F251 D252 N256 K307 F308 E309 K313	M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; N256-L311 PolarHBondContact ND2-O 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å; E309-L311 PolarHBondContact O-N 3.38Å; L311-K313 PolarHBondContact O-N 3.26Å
312	N	97.3	Very high	95.7	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.043	30%	0.299	C	S	.	.			trans	-70.9	111.4	174.4	177.4	18.7	0	0	0	110.1	E309 D310 R314 K315 K318 I320	E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; D310-N312 VanDerWaalsContact C-N 3.28Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å; N312-K318 PolarHBondContact ND2-O 3.09Å; N312-I320 HydrophobicContact CB-CG1 3.99Å
313	K	96.4	Very high	95.7	Very high	144 Å²	144	58.4 Å²	58.4	63%	0.626	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.6	-178.6	-63.5	170.9	176	117.2	0	113.3	D252 N256 L311	D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å; L311-K313 PolarHBondContact O-N 3.26Å
314	R	93.6	Very high	95.7	Very high	51 Å²	51	58.7 Å²	58.7	19%	0.192	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	41.3	-174.3	-67.1	179.1	-71.6	-149.5	4.1	111.6	C255 N257 N312 D316 T317 K318	C255-R314 PolarHBondContact O-NH2 3.37Å; N257-R314 PolarHBondContact O-NH2 3.15Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å; R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å
315	K	91.3	Very high	95.6	Very high	120 Å²	120	58.7 Å²	58.7	52%	0.522	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.5	-173.5	-60.5	-169.8	175.3	-173.9	0	114.2	E309 D310 N312	E309-K315 WeakPolarHBondContact O-CE 3.43Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å
316	D	90.4	Very high	95.6	Very high	141 Å²	141	57 Å²	57	75%	0.754	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-28	178.4	60.8	-42.5	0	0	0	113.5	R314	R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å
317	T	90.1	Very high	95.6	Very high	107 Å²	107	55.2 Å²	55.2	66%	0.656	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-14.7	-173	46.1	0	0	0	0	113.5	R314	R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å
318	K	89.9	Confident	95.5	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.07	26%	0.263	C	S	.	.			trans	-135.3	113.8	-174.2	-174.4	166.2	-167.7	122	0	110.6	F260 T261 T263 N312 R314	F260-K318 PolarHBondContact O-NZ 2.98Å; T261-K318 PolarHBondContact O-NZ 3.4Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å; N312-K318 PolarHBondContact ND2-O 3.09Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å
319	E	90.6	Very high	95.5	Very high	124 Å²	124	56.9 Å²	56.9	58%	0.579	28%	0.28	S	S	*	.			trans	-87.2	141.5	173.4	-169.1	171.2	-159.3	0	0	110.4	Y321	E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å
320	I	95.1	Very high	95.4	Very high	19 Å²	19	56 Å²	56	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.5	171.5	-57.1	-59.5	0	0	0	107.3	F251 C255 I265 L267 N312 T322	F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å; C255-I320 HydrophobicContact CB-CD1 4.47Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; N312-I320 HydrophobicContact CB-CG1 3.99Å; I320-T322 PolarHBondContact O-N 3Å
321	Y	95	Very high	95.4	Very high	48 Å²	48	59.4 Å²	59.4	19%	0.188	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	104.1	179.9	-60.7	-78.4	0	0	0	110.1	I265 I266 L267 E319 V343	I265-Y321 PolarHBondContact O-N 3.39Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; L267-Y321 PolarHBondContact N-O 3.3Å; E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å; Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å
322	T	97.4	Very high	95.4	Very high	28 Å²	28	58.6 Å²	58.6	17%	0.172	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.2	-174.8	-53.5	0	0	0	0	112.3	L267 L269 Q305 E309 I320	L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å; I320-T322 PolarHBondContact O-N 3Å
323	H	97.8	Very high	95.4	Very high	41 Å²	41	58.3 Å²	58.3	19%	0.19	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.9	175.1	-64.6	-86.9	0	0	0	112	L267 F268 L269 T325 V336	L267-H323 PolarHBondContact O-N 2.88Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; L269-H323 PolarHBondContact N-O 3.32Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å
324	F	98.2	Very high	95.3	Very high	53 Å²	53	56.5 Å²	56.5	23%	0.232	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.5	168.5	-66.8	-78.4	0	0	0	110.4	L228 L269 K272 A301 Q305	L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; K272-F324 HydrophobicContact CD-CB 4.11Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å
325	T	98.2	Very high	95.4	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.			trans	-123.6	150.3	-172	48.2	0	0	0	0	112.9	F268 L269 N270 K271 K272 H323 N332 V336	F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; L269-T325 PolarHBondContact O-N 3.42Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; K271-T325 PolarHBondContact N-O 2.97Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å
326	C	98	Very high	95.6	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.061	28%	0.275	C	S	.	.			trans	-123.4	98.5	160.8	175.1	0	0	0	0	106.5	K272 D273 T328 D329 N332	K272-C326 HydrophobicContact CG-CB 4.25Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å; C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; C326-N332 PolarHBondContact N-OD1 3.4Å
327	A	97.4	Very high	95.7	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.7	-175.1	0	0	0	0	0	113.5	T48 I49 Q52 N270	T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å
328	T	96.7	Very high	95.9	Very high	19 Å²	19	46.5 Å²	46.5	12%	0.117	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.5	176.4	52	0	0	0	0	113.7	T48 Q173 L176 R177 C326	T48-T328 HydrophobicContact CG2-CG2 4.06Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å; L176-T328 HydrophobicContact CB-CG2 4.47Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å
329	D	97.8	Very high	96	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	23%	0.232	S	C	.	.			trans	-105.6	104.1	171.2	176	-7.6	0	0	0	109	C326 K331 N332 V333	C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å
330	T	97.4	Very high	96	Very high	41 Å²	41	41.4 Å²	41.4	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-59.4	-35.7	-177.8	-57.2	0	0	0	0	112.7	Q52 I55 I56 V333 Q334	Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; T330-V333 PolarHBondContact O-N 3.21Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å
331	K	97.1	Very high	95.8	Very high	170 Å²	170	40.5 Å²	40.5	74%	0.739	20%	0.2	S	C	*	.	H	α-helix	trans	-69	-42.7	178.9	-67.2	-178.5	180	177.5	0	110.9	D329 Q334 F335	D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; K331-Q334 PolarHBondContact O-N 2.89Å; K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å
332	N	97.3	Very high	95.5	Very high	20 Å²	20	42 Å²	42	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-45.3	176.4	176.9	-104.7	0	0	0	111.5	T325 C326 D329 F335 V336	T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; C326-N332 PolarHBondContact N-OD1 3.4Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; N332-F335 PolarHBondContact O-N 3.03Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å
333	V	97	Very high	95	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-42.7	178.8	176.7	0	0	0	0	111.4	I49 Q52 M53 I56 D329 T330 F335 V336 F337	I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å; T330-V333 PolarHBondContact O-N 3.21Å; V333-F335 PolarHBondContact O-N 3.05Å; V333-V336 PolarHBondContact O-N 3.42Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å
334	Q	95.9	Very high	94.4	Very high	106 Å²	106	40.1 Å²	40.1	50%	0.495	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-48	176.6	-174.1	174.7	22.7	0	0	111.7	I56 T330 K331 F337 D338	I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å; K331-Q334 PolarHBondContact O-N 2.89Å; Q334-F337 PolarHBondContact O-N 3Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å
335	F	95.7	Very high	93.8	Very high	146 Å²	146	39.8 Å²	39.8	64%	0.64	20%	0.203	S	C	*	.	H	α-helix	trans	-61.4	-46.5	178	174.6	-97.2	0	0	0	112.5	K331 N332 V333 D338 A339	K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å; N332-F335 PolarHBondContact O-N 3.03Å; V333-F335 PolarHBondContact O-N 3.05Å; F335-D338 PolarHBondContact O-N 3.4Å; F335-A339 PolarHBondContact O-N 3.21Å
336	V	94.2	Very high	93.1	Very high	4 Å²	4	45 Å²	45	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-41.9	-179.5	171.2	0	0	0	0	110.9	F268 H323 T325 N332 V333 D338 A339 V340	F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å; V333-V336 PolarHBondContact O-N 3.42Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; V336-A339 PolarHBondContact O-N 2.67Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å
337	F	93.4	Very high	92.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-34.1	-179.8	-164.2	-95.1	0	0	0	112.4	L36 M53 H57 F190 F192 F197 M199 I223 V333 Q334 V340 T341	L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å; H57-F337 AromaticContact NE2-CD1 3.87Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å; Q334-F337 PolarHBondContact O-N 3Å; F337-V340 PolarHBondContact O-N 2.68Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å
338	D	93.9	Very high	91.2	Very high	58 Å²	58	47.7 Å²	47.7	31%	0.31	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-48.8	172.4	-168	43.4	0	0	0	111.6	F192 K193 Q334 F335 V336 V340 T341 D342	F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å; F335-D338 PolarHBondContact O-N 3.4Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; D338-V340 PolarHBondContact O-N 3.27Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; D338-D342 PolarHBondContact O-N 3.35Å
339	A	91.7	Very high	90	Very high	31 Å²	31	50.1 Å²	50.1	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-61.7	-41.2	176.5	0	0	0	0	0	112.6	F335 V336 T341 D342 V343	F335-A339 PolarHBondContact O-N 3.21Å; V336-A339 PolarHBondContact O-N 2.67Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-D342 PolarHBondContact O-N 3.12Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å
340	V	90.6	Very high	88.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-41.3	175.6	167.7	0	0	0	0	111.3	I266 F268 V336 F337 D338 D342 V343 I344	I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å; F337-V340 PolarHBondContact O-N 2.68Å; D338-V340 PolarHBondContact O-N 3.27Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; V340-V343 PolarHBondContact O-N 3.26Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å
341	T	91.5	Very high	87.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-41	179	-61.7	0	0	0	0	111.3	F192 K193 L195 F197 F337 D338 A339 V343 I344 I345	F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; A339-T341 VanDerWaalsContact C-N 3.34Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; T341-I344 PolarHBondContact O-N 3.21Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å
342	D	89	Confident	85.8	Confident	79 Å²	79	52.1 Å²	52.1	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-37.3	176.8	-72.6	-16.3	0	0	0	112.4	K193 D338 A339 V340 K346	K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; D338-D342 PolarHBondContact O-N 3.35Å; A339-D342 PolarHBondContact O-N 3.12Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å
343	V	85.5	Confident	83.8	Confident	29 Å²	29	54.1 Å²	54.1	18%	0.176	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-45.2	173.7	172.4	0	0	0	0	111.3	Y321 A339 V340 T341 K346 N347	Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å; V340-V343 PolarHBondContact O-N 3.26Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; V343-K346 PolarHBondContact O-N 3.18Å; V343-N347 PolarHBondContact O-N 3.2Å
344	I	86.7	Confident	81.8	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-46.9	178.7	-68	165.2	0	0	0	110.6	V34 L36 T220 A221 V340 T341 K346 N347 N348	V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å; T341-I344 PolarHBondContact O-N 3.21Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; I344-N347 PolarHBondContact O-N 2.93Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å
345	I	85.2	Confident	79.3	Confident	46 Å²	46	64.6 Å²	64.6	24%	0.236	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-47.8	176.9	-72	166.7	0	0	0	110.2	K193 L195 T341 N347 N348 L349	K193-I345 HydrophobicContact CD-CD1 4.32Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; I345-N348 PolarHBondContact O-N 3.33Å; I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å
346	K	83	Confident	78.5	Confident	109 Å²	109	60.6 Å²	60.6	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-40.5	179.7	-176.3	-178.6	-179.9	-176.5	0	112.2	D342 V343 I344 K350	D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å; V343-K346 PolarHBondContact O-N 3.18Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å
347	N	79.7	Confident	77.6	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.139	35%	0.345	C	S	.	.	H	α-helix	trans	-73.5	-43.9	179.3	-70.8	-13.5	0	0	0	111.7	S264 V343 I344 I345 L349 K350 D351	S264-N347 PolarHBondContact OG-ND2 3.47Å; V343-N347 PolarHBondContact O-N 3.2Å; I344-N347 PolarHBondContact O-N 2.93Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; N347-D351 PolarHBondContact O-N 2.96Å
348	N	75.4	Confident	76.8	Confident	44 Å²	44	66.9 Å²	66.9	24%	0.235	36%	0.364	C	S	.	.	H	α-helix	trans	-58.9	-39.8	175	-78.2	-19	0	0	0	112.6	T220 I344 I345 D351 C352	T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å; I345-N348 PolarHBondContact O-N 3.33Å; N348-D351 PolarHBondContact O-N 3.4Å; N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å
349	L	72.7	Confident	75.8	Confident	69 Å²	69	67.5 Å²	67.5	36%	0.361	37%	0.367	S	S	.	.	H	α-helix	trans	-67.6	-36.1	177.5	-72.3	174.4	0	0	0	112.9	I345 N347 C352 G353 L354	I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; L349-C352 PolarHBondContact O-N 3.42Å; L349-G353 PolarHBondContact O-N 2.66Å; L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å
350	K	71.1	Confident	74.8	Confident	102 Å²	102	69.8 Å²	69.8	44%	0.443	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-44.2	173.1	-75.1	172.6	176.8	-179.2	0	111.3	K346 N347 C352 G353 F355	K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; K350-C352 PolarHBondContact O-N 2.71Å; K350-G353 PolarHBondContact O-N 2.89Å; K350-F355 HydrophobicContact CG-CB 4.12Å
351	D	68.8	Low	73.7	Confident	135 Å²	135	74.3 Å²	74.3	72%	0.722	40%	0.398	S	S	*	.	H	α-helix	trans	-64.9	-29.5	179.8	-66.5	-17.7	0	0	0	112	N347 N348 G353	N347-D351 PolarHBondContact O-N 2.96Å; N348-D351 PolarHBondContact O-N 3.4Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å
352	C	64.6	Low	72.4	Confident	84 Å²	84	79.6 Å²	79.6	57%	0.568	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3	173.6	-63.8	0	0	0	0	114.3	N348 L349 K350 L354	N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å; L349-C352 PolarHBondContact O-N 3.42Å; K350-C352 PolarHBondContact O-N 2.71Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å
353	G	55.3	Low	71.2	Confident	62 Å²	62	79.7 Å²	79.7	64%	0.639	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	23	-178.4	0	0	0	0	0	114.8	L349 K350 D351	L349-G353 PolarHBondContact O-N 2.66Å; K350-G353 PolarHBondContact O-N 2.89Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å
354	L	53.8	Low	70	Confident	131 Å²	131	83.9 Å²	83.9	69%	0.686	45%	0.448	S	S	*	.			trans	-95.3	10.6	-178.7	-68.6	170.9	0	0	0	113.6	L349 C352	L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å
355	F	43.3	Very low	68.4	Low	197 Å²	197	91.4 Å²	91.4	86%	0.864	49%	0.488	S	S	*	.			trans	-125.8	0	-177.2	-145.2	-83.7	0	0	0	113.3	K350	K350-F355 HydrophobicContact CG-CB 4.12Å

Retrieved 355 of 355 residues in 221.7 ms (Link to these results)

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