A0A3Q0KDM6_SCHMA Loading...

Family S9 unassigned peptidase (S09 family)

AlphaFold DB , UniProt , Accession A0A3Q0KDM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	51.6	Low	212 Å²	212	110.8 Å²	110.8	100%	1.044	61%	0.606	S	S	*	*				0	59.8	0	-62.8	179.4	-172.5	0	0	107
2	N	42.7	Very low	52.2	Low	148 Å²	148	112.3 Å²	112.3	79%	0.791	61%	0.611	S	S	*	*				88.6	89.3	70.2	-68.7	20.7	0	0	0	109.9
3	D	41.7	Very low	52.4	Low	147 Å²	147	107.2 Å²	107.2	79%	0.786	58%	0.583	S	S	*	*			trans	33.4	88.8	144.6	-56.6	-28.8	0	0	0	117.4	S5	D3-S5 PolarHBondContact O-N 3.49Å
4	L	52.9	Low	52.7	Low	119 Å²	119	102.7 Å²	102.7	62%	0.623	56%	0.563	S	S	*	*			trans	-68.2	83.1	151.9	-81.5	157.5	0	0	0	107.6
5	S	54.2	Low	52.8	Low	53 Å²	53	102.9 Å²	102.9	37%	0.371	57%	0.573	S	S	.	*			trans	-58.5	157.7	174.1	75.8	0	0	0	0	110.3	D3 N7 S8 I9	D3-S5 PolarHBondContact O-N 3.49Å; S5-N7 PolarHBondContact O-N 3.37Å; S5-N7 WeakPolarHBondContact OG-CB 3.35Å; S5-N7 PolarHBondContact OG-N 2.9Å; S5-S8 WeakPolarHBondContact O-CA 3.38Å; S5-S8 WeakPolarHBondContact O-CB 3.35Å; S5-S8 PolarHBondContact O-N 3.25Å; S5-S8 PolarHBondContact OG-N 3.5Å; S5-S8 PolarHBondContact OG-OG 3.26Å; S5-I9 PolarHBondContact O-N 3.41Å
6	C	55	Low	52.7	Low	96 Å²	96	102.9 Å²	102.9	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-53.1	-31.2	174.1	-153.4	0	0	0	0	111.7	S8 I9 C10	C6-S8 PolarHBondContact O-N 3.34Å; C6-I9 PolarHBondContact O-N 3.48Å; C6-C10 VanDerWaalsContact O-CB 3.23Å; C6-C10 WeakPolarHBondContact O-CB 3.35Å; C6-C10 PolarHBondContact O-N 3.41Å
7	N	55.5	Low	52.5	Low	119 Å²	119	103.2 Å²	103.2	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-63.7	-37.4	173	-79.6	-12.2	0	0	0	113.1	S5 C10 Q11	S5-N7 PolarHBondContact O-N 3.37Å; S5-N7 WeakPolarHBondContact OG-CB 3.35Å; S5-N7 PolarHBondContact OG-N 2.9Å; N7-C10 PolarHBondContact O-N 3.46Å; N7-Q11 WeakPolarHBondContact O-CB 3.49Å; N7-Q11 VanDerWaalsContact O-CG 3.3Å; N7-Q11 WeakPolarHBondContact O-CG 3.44Å; N7-Q11 PolarHBondContact O-N 3.15Å
8	S	58.1	Low	52.5	Low	36 Å²	36	103.1 Å²	103.1	25%	0.252	58%	0.583	S	S	.	*	H	α-helix	trans	-70.1	-37	179.6	-50.3	0	0	0	0	111.9	S5 C6 L12	S5-S8 WeakPolarHBondContact O-CA 3.38Å; S5-S8 WeakPolarHBondContact O-CB 3.35Å; S5-S8 PolarHBondContact O-N 3.25Å; S5-S8 PolarHBondContact OG-N 3.5Å; S5-S8 PolarHBondContact OG-OG 3.26Å; C6-S8 PolarHBondContact O-N 3.34Å; S8-L12 PolarHBondContact O-N 3.21Å
9	I	60.4	Low	52.9	Low	76 Å²	76	99.3 Å²	99.3	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-70.6	-39.9	173.2	-63.8	172.3	0	0	0	110.3	S5 C6 Q11 L12 L13	S5-I9 PolarHBondContact O-N 3.41Å; C6-I9 PolarHBondContact O-N 3.48Å; I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 2.76Å; I9-L12 PolarHBondContact O-N 3.37Å; I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.27Å
10	C	55	Low	53.2	Low	61 Å²	61	98.2 Å²	98.2	41%	0.412	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-37.4	175.4	-152.7	0	0	0	0	111.4	C6 N7 L12 L13 C14	C6-C10 VanDerWaalsContact O-CB 3.23Å; C6-C10 WeakPolarHBondContact O-CB 3.35Å; C6-C10 PolarHBondContact O-N 3.41Å; N7-C10 PolarHBondContact O-N 3.46Å; C10-L12 VanDerWaalsContact C-N 3.35Å; C10-L13 PolarHBondContact O-N 3.04Å; C10-C14 WeakPolarHBondContact O-CA 3.32Å; C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 3.22Å; C10-C14 PolarHBondContact SG-SG 3.29Å
11	Q	56.6	Low	53.7	Low	152 Å²	152	101.1 Å²	101.1	71%	0.71	57%	0.568	S	S	*	*	H	α-helix	trans	-69.4	-31.1	172.9	-75.9	179	-5.8	0	0	112.8	N7 I9	N7-Q11 WeakPolarHBondContact O-CB 3.49Å; N7-Q11 VanDerWaalsContact O-CG 3.3Å; N7-Q11 WeakPolarHBondContact O-CG 3.44Å; N7-Q11 PolarHBondContact O-N 3.15Å; I9-Q11 VanDerWaalsContact C-N 3.34Å; I9-Q11 PolarHBondContact O-N 2.76Å
12	L	59	Low	55	Low	128 Å²	128	94.3 Å²	94.3	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-74.9	-28.7	175.9	-128.4	110.7	0	0	0	113.1	S8 I9 C10	S8-L12 PolarHBondContact O-N 3.21Å; I9-L12 PolarHBondContact O-N 3.37Å; C10-L12 VanDerWaalsContact C-N 3.35Å
13	L	55	Low	56	Low	46 Å²	46	88.3 Å²	88.3	24%	0.241	51%	0.506	C	S	.	.	H	α-helix	trans	-114.3	-24.6	-169.6	-63.3	178.3	0	0	0	114.7	I9 C10 C213	I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.37Å; I9-L13 WeakPolarHBondContact O-CB 3.33Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.27Å; C10-L13 PolarHBondContact O-N 3.04Å; L13-C213 HydrophobicContact CB-CB 4.41Å; L13-C213 PolarHBondContact O-SG 3.46Å
14	C	56.2	Low	57.2	Low	45 Å²	45	81.9 Å²	81.9	30%	0.304	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-22.4	-164.9	-57.8	0	0	0	0	116	C10 C213	C10-C14 WeakPolarHBondContact O-CA 3.32Å; C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 3.22Å; C10-C14 PolarHBondContact SG-SG 3.29Å; C14-C213 VanDerWaalsContact SG-SG 3.64Å
15	C	54.6	Low	57.9	Low	105 Å²	105	84.8 Å²	84.8	71%	0.709	48%	0.481	S	S	*	.	S	Bend	trans	-152.1	121.6	-178.6	-76	0	0	0	0	113.3
16	P	51	Low	58.5	Low	104 Å²	104	88.8 Å²	88.8	68%	0.675	50%	0.498	S	S	*	.	S	Bend	cis	-82.3	161.4	-10.5	35.7	-31.2	0	0	0	110.6	L18	P16-L18 PolarHBondContact O-N 3.48Å
17	P	49.2	Very low	59.6	Low	108 Å²	108	85.2 Å²	85.2	70%	0.701	48%	0.475	S	S	*	.			trans	-74.3	87.8	-158.9	32.4	-35.9	0	0	0	111.8	P19	P17-P19 HydrophobicContact CB-CG 4.37Å; P17-P19 WeakPolarHBondContact O-CD 3.43Å
18	L	51.8	Low	61.1	Low	100 Å²	100	80.1 Å²	80.1	52%	0.524	45%	0.447	S	S	.	.			trans	-90.4	18.2	157.5	-100.1	93.6	0	0	0	116.4	P16 S20 I22	P16-L18 PolarHBondContact O-N 3.48Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.07Å; L18-I22 HydrophobicContact CB-CD1 4.05Å; L18-I22 HydrophobicContact CD2-CD1 4.17Å; L18-I22 HydrophobicContact CD2-CG1 4.39Å
19	P	60	Low	62.6	Low	31 Å²	31	83.4 Å²	83.4	20%	0.201	46%	0.46	C	S	.	.	H	α-helix	trans	-60.9	-41.3	-173.8	-5.4	7.1	0	0	0	112.5	P17 A23 C213	P17-P19 HydrophobicContact CB-CG 4.37Å; P17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-A23 WeakPolarHBondContact O-CA 3.41Å; P19-A23 WeakPolarHBondContact O-CB 3.42Å; P19-A23 PolarHBondContact O-N 3.06Å; P19-C213 HydrophobicContact CB-CB 4.4Å
20	S	60.3	Low	64.1	Low	78 Å²	78	82.4 Å²	82.4	55%	0.545	46%	0.458	S	S	.	.	H	α-helix	trans	-71.5	-39.9	-168.1	64.7	0	0	0	0	114.1	L18 A24	L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.07Å; S20-A24 WeakPolarHBondContact O-CB 3.28Å; S20-A24 PolarHBondContact O-N 3.37Å
21	K	62.2	Low	65.8	Low	160 Å²	160	80.5 Å²	80.5	70%	0.696	45%	0.445	S	S	*	.	H	α-helix	trans	-73.7	-40.1	-179.1	-72	-177.4	-178.2	173.6	0	112.1	K25	K21-K25 WeakPolarHBondContact O-CB 3.48Å; K21-K25 PolarHBondContact O-N 3.13Å; K21-K25 VanDerWaalsContact O-N 3.09Å
22	I	64.1	Low	67.5	Low	68 Å²	68	77.1 Å²	77.1	35%	0.349	44%	0.437	S	S	.	.	H	α-helix	trans	-72.6	-48.2	178.6	-61.2	175.4	0	0	0	109.5	L18 A24 K25 L26	L18-I22 HydrophobicContact CB-CD1 4.05Å; L18-I22 HydrophobicContact CD2-CD1 4.17Å; L18-I22 HydrophobicContact CD2-CG1 4.39Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 2.98Å; I22-K25 PolarHBondContact O-N 3.2Å; I22-K25 VanDerWaalsContact O-N 3.11Å; I22-L26 HydrophobicContact CG2-CD1 3.97Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.26Å; I22-L26 PolarHBondContact O-N 2.7Å
23	A	62.8	Low	69.2	Low	23 Å²	23	73.6 Å²	73.6	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-42	175.5	0	0	0	0	0	110.7	P19 K25 L26 A27 V215	P19-A23 WeakPolarHBondContact O-CA 3.41Å; P19-A23 WeakPolarHBondContact O-CB 3.42Å; P19-A23 PolarHBondContact O-N 3.06Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.32Å; A23-L26 PolarHBondContact O-N 3.1Å; A23-A27 WeakPolarHBondContact O-CA 3.35Å; A23-A27 WeakPolarHBondContact O-CB 3.24Å; A23-A27 PolarHBondContact O-N 3.34Å; A23-V215 HydrophobicContact CB-CG1 3.76Å; A23-V215 HydrophobicContact CB-CG2 4.33Å
24	A	67.1	Low	71.1	Confident	12 Å²	12	71.4 Å²	71.4	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-58.9	-43.7	174.8	0	0	0	0	0	112.6	S20 I22 L26 A27 F28 P139 L140	S20-A24 WeakPolarHBondContact O-CB 3.28Å; S20-A24 PolarHBondContact O-N 3.37Å; I22-A24 VanDerWaalsContact C-N 3.28Å; I22-A24 PolarHBondContact O-N 2.98Å; A24-L26 VanDerWaalsContact C-N 3.28Å; A24-L26 PolarHBondContact O-N 3.23Å; A24-A27 PolarHBondContact O-N 2.92Å; A24-F28 HydrophobicContact CB-CD2 4.11Å; A24-F28 HydrophobicContact CB-CE2 4.47Å; A24-F28 WeakPolarHBondContact O-CB 3.42Å; A24-F28 WeakPolarHBondContact O-CD2 3.26Å; A24-F28 PolarHBondContact O-N 3.1Å; A24-P139 WeakPolarHBondContact CB-O 3.43Å; A24-L140 HydrophobicContact CB-CD2 3.79Å
25	K	67.2	Low	73	Confident	179 Å²	179	69.4 Å²	69.4	78%	0.778	40%	0.397	S	S	*	.	H	α-helix	trans	-68.3	-27.1	179	-168.2	173	-178.4	-179.8	0	113.3	K21 I22 A23	K21-K25 WeakPolarHBondContact O-CB 3.48Å; K21-K25 PolarHBondContact O-N 3.13Å; K21-K25 VanDerWaalsContact O-N 3.09Å; I22-K25 PolarHBondContact O-N 3.2Å; I22-K25 VanDerWaalsContact O-N 3.11Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.32Å
26	L	68.6	Low	74.9	Confident	138 Å²	138	71.7 Å²	71.7	72%	0.723	40%	0.395	S	S	*	.	H	α-helix	trans	-87.7	-32.3	176.9	-67.3	175	0	0	0	112.6	I22 A23 A24	I22-L26 HydrophobicContact CG2-CD1 3.97Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.26Å; I22-L26 PolarHBondContact O-N 2.7Å; A23-L26 PolarHBondContact O-N 3.1Å; A24-L26 VanDerWaalsContact C-N 3.28Å; A24-L26 PolarHBondContact O-N 3.23Å
27	A	77.9	Confident	77	Confident	21 Å²	21	67.8 Å²	67.8	17%	0.174	37%	0.368	C	S	.	.	H	α-helix	trans	-84.8	-38.6	-175.5	0	0	0	0	0	113	A23 A24 N102 F216	A23-A27 WeakPolarHBondContact O-CA 3.35Å; A23-A27 WeakPolarHBondContact O-CB 3.24Å; A23-A27 PolarHBondContact O-N 3.34Å; A24-A27 PolarHBondContact O-N 2.92Å; A27-N102 PolarHBondContact O-ND2 2.97Å; A27-F216 HydrophobicContact CB-CE2 3.57Å; A27-F216 HydrophobicContact CB-CZ 3.78Å
28	F	86.4	Confident	79.2	Confident	12 Å²	12	65.7 Å²	65.7	5%	0.053	35%	0.354	C	S	.	.			trans	-105.8	126.2	-174.4	-62.3	-78.3	0	0	0	110.6	A24 P30 Y132 P139 L144 I173 F216	A24-F28 HydrophobicContact CB-CD2 4.11Å; A24-F28 HydrophobicContact CB-CE2 4.47Å; A24-F28 WeakPolarHBondContact O-CB 3.42Å; A24-F28 WeakPolarHBondContact O-CD2 3.26Å; A24-F28 PolarHBondContact O-N 3.1Å; F28-P30 VanDerWaalsContact C-CD 3.5Å; F28-Y132 WeakPolarHBondContact CA-OH 3.47Å; F28-Y132 HydrophobicContact CB-CE2 4.25Å; F28-Y132 WeakPolarHBondContact CB-OH 3.41Å; F28-Y132 HydrophobicContact CD1-CE2 4.12Å; F28-P139 HydrophobicContact CB-CB 3.58Å; F28-P139 HydrophobicContact CB-CG 3.83Å; F28-P139 HydrophobicContact CD1-CB 3.95Å; F28-P139 HydrophobicContact CD2-CB 3.88Å; F28-P139 HydrophobicContact CD2-CG 4.47Å; F28-P139 WeakPolarHBondContact CD2-O 3.13Å; F28-P139 WeakPolarHBondContact CE2-O 3.46Å; F28-P139 HydrophobicContact CG-CB 3.57Å; F28-P139 HydrophobicContact CG-CG 4.27Å; F28-L144 HydrophobicContact CE1-CD1 4.47Å; F28-L144 HydrophobicContact CE1-CD2 4.05Å; F28-L144 HydrophobicContact CZ-CD2 4.12Å; F28-I173 HydrophobicContact CD1-CD1 3.6Å; F28-I173 HydrophobicContact CE1-CD1 3.48Å; F28-I173 VanDerWaalsContact CE1-CD1 3.48Å; F28-I173 HydrophobicContact CE1-CG1 4.41Å; F28-I173 HydrophobicContact CG-CD1 4.43Å; F28-I173 HydrophobicContact CZ-CD1 4.23Å; F28-F216 HydrophobicContact CE1-CZ 4.18Å; F28-F216 HydrophobicContact CE2-CE1 4.19Å; F28-F216 AromaticContact CE2-CZ 3.74Å; F28-F216 HydrophobicContact CE2-CZ 3.74Å; F28-F216 AromaticContact CZ-CE1 3.76Å; F28-F216 HydrophobicContact CZ-CE1 3.76Å; F28-F216 AromaticContact CZ-CZ 3.51Å; F28-F216 HydrophobicContact CZ-CZ 3.51Å
29	M	89.5	Confident	81.1	Confident	105 Å²	105	66.1 Å²	66.1	52%	0.517	35%	0.353	S	S	.	.			trans	-124.3	71.2	178	-67.8	177.5	52.1	0	0	109	N102 A103 Y132	M29-N102 PolarHBondContact N-OD1 2.86Å; M29-A103 HydrophobicContact CB-CB 4.44Å; M29-A103 WeakPolarHBondContact O-CA 3.37Å; M29-A103 PolarHBondContact O-N 3.43Å; M29-Y132 PolarHBondContact N-OH 2.91Å; M29-Y132 VanDerWaalsContact N-OH 3.15Å
30	P	91.8	Very high	82.6	Confident	54 Å²	54	68.8 Å²	68.8	35%	0.351	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-59.1	129.6	175.5	24.4	-32.6	0	0	0	110.1	F28 G131 Y132	F28-P30 VanDerWaalsContact C-CD 3.5Å; P30-G131 VanDerWaalsContact CB-O 3.32Å; P30-G131 WeakPolarHBondContact CB-O 3.31Å; P30-Y132 HydrophobicContact CB-CD1 4.03Å; P30-Y132 HydrophobicContact CB-CD2 3.8Å; P30-Y132 HydrophobicContact CB-CE1 4.13Å; P30-Y132 HydrophobicContact CB-CE2 3.88Å; P30-Y132 HydrophobicContact CB-CG 3.86Å; P30-Y132 HydrophobicContact CG-CE2 4.37Å
31	P	91.3	Very high	84	Confident	21 Å²	21	69.1 Å²	69.1	14%	0.136	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.2	162.5	175.3	32.3	-35.2	0	0	0	110.2	S33 D105 L108	P31-S33 PolarHBondContact O-N 2.85Å; P31-D105 HydrophobicContact CG-CB 3.97Å; P31-L108 HydrophobicContact CB-CD1 4.41Å; P31-L108 HydrophobicContact CG-CD1 4.28Å
32	P	92	Very high	85.2	Confident	82 Å²	82	69.5 Å²	69.5	53%	0.532	37%	0.366	S	S	.	.	S	Bend	trans	-53.8	132	158.8	-20	32.2	0	0	0	109.2	S34	P32-S34 PolarHBondContact O-N 3.43Å; P32-S34 VanDerWaalsContact O-N 3.13Å
33	S	94.5	Very high	86.2	Confident	54 Å²	54	69.9 Å²	69.9	38%	0.378	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-52.9	120.1	-175.7	-164.5	0	0	0	0	111.2	P31 Y35 D105	P31-S33 PolarHBondContact O-N 2.85Å; S33-Y35 VanDerWaalsContact C-N 3.28Å; S33-Y35 PolarHBondContact OG-O 3.01Å; S33-D105 WeakPolarHBondContact CA-OD2 3.49Å
34	S	94.7	Very high	87.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	41%	0.412	C	S	.	.	S	Bend	trans	-87.5	-1.5	-179.5	82.4	0	0	0	0	113	P32 A53 Y55 D105 G107 L108	P32-S34 PolarHBondContact O-N 3.43Å; P32-S34 VanDerWaalsContact O-N 3.13Å; S34-A53 WeakPolarHBondContact O-CB 3.47Å; S34-A53 PolarHBondContact O-N 3.12Å; S34-Y55 WeakPolarHBondContact CA-OH 3.4Å; S34-Y55 VanDerWaalsContact CB-OH 3.28Å; S34-Y55 WeakPolarHBondContact CB-OH 3.47Å; S34-D105 WeakPolarHBondContact CB-OD1 3.28Å; S34-D105 PolarHBondContact N-OD2 3.15Å; S34-D105 VanDerWaalsContact OG-CG 3.27Å; S34-D105 PolarHBondContact OG-OD1 2.83Å; S34-D105 PolarHBondContact OG-OD2 3.08Å; S34-G107 WeakPolarHBondContact OG-CA 3.32Å; S34-L108 PolarHBondContact OG-N 2.95Å
35	Y	95.6	Very high	88.1	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.008	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	174.5	177.9	74.3	-76.5	0	0	0	110.7	S33 L37 F50 T51 A82 D105 L106 D128 A134	S33-Y35 VanDerWaalsContact C-N 3.28Å; S33-Y35 PolarHBondContact OG-O 3.01Å; Y35-L37 HydrophobicContact CD2-CD2 4.24Å; Y35-L37 HydrophobicContact CD2-CG 4.28Å; Y35-L37 HydrophobicContact CE2-CD1 4.31Å; Y35-L37 HydrophobicContact CE2-CD2 4Å; Y35-L37 HydrophobicContact CE2-CG 3.74Å; Y35-F50 HydrophobicContact CD1-CE2 4.22Å; Y35-F50 AromaticContact CD2-CD2 3.46Å; Y35-F50 HydrophobicContact CD2-CD2 3.46Å; Y35-F50 VanDerWaalsContact CD2-CD2 3.46Å; Y35-F50 AromaticContact CD2-CE2 3.05Å; Y35-F50 HydrophobicContact CD2-CE2 3.05Å; Y35-F50 AromaticContact CD2-CZ 3.91Å; Y35-F50 HydrophobicContact CD2-CZ 3.91Å; Y35-F50 HydrophobicContact CE2-CD2 4.01Å; Y35-F50 AromaticContact CE2-CE2 3.67Å; Y35-F50 HydrophobicContact CE2-CE2 3.67Å; Y35-F50 HydrophobicContact CG-CD2 4.18Å; Y35-F50 AromaticContact CG-CE2 3.38Å; Y35-F50 HydrophobicContact CG-CE2 3.38Å; Y35-F50 AromaticContact CG-CZ 3.76Å; Y35-F50 HydrophobicContact CG-CZ 3.76Å; Y35-T51 CarbonylContact C-O 3.58Å; Y35-T51 WeakPolarHBondContact CA-O 3.43Å; Y35-T51 WeakPolarHBondContact CB-O 3.25Å; Y35-A82 WeakPolarHBondContact OH-CB 3.46Å; Y35-D105 HydrophobicContact CE1-CB 4.18Å; Y35-L106 HydrophobicContact CD1-CB 4.34Å; Y35-L106 HydrophobicContact CE1-CB 3.75Å; Y35-L106 HydrophobicContact CE2-CB 4.44Å; Y35-L106 WeakPolarHBondContact OH-CD1 3.39Å; Y35-D128 WeakPolarHBondContact CE1-OD2 3.3Å; Y35-D128 PolarHBondContact OH-OD2 2.91Å; Y35-A134 HydrophobicContact CE2-CB 3.8Å; Y35-A134 PolarHBondContact OH-N 3.46Å
36	K	95.3	Very high	89	Confident	154 Å²	154	73.2 Å²	73.2	67%	0.67	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.6	170	-64.5	-178	-179.4	178.9	0	109.8	T51	K36-T51 PolarHBondContact N-O 2.96Å; K36-T51 PolarHBondContact O-N 3.37Å
37	L	95.2	Very high	90	Very high	21 Å²	21	70.6 Å²	70.6	11%	0.11	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.5	163.8	-64.8	-177.3	0	0	0	108.7	Y35 Y48 R49 F50 K72 A82 A134	Y35-L37 HydrophobicContact CD2-CD2 4.24Å; Y35-L37 HydrophobicContact CD2-CG 4.28Å; Y35-L37 HydrophobicContact CE2-CD1 4.31Å; Y35-L37 HydrophobicContact CE2-CD2 4Å; Y35-L37 HydrophobicContact CE2-CG 3.74Å; L37-Y48 HydrophobicContact CB-CD1 4.19Å; L37-R49 WeakPolarHBondContact CA-O 3.41Å; L37-F50 HydrophobicContact CD2-CB 4.15Å; L37-F50 HydrophobicContact CD2-CD2 3.75Å; L37-F50 HydrophobicContact CD2-CG 4.42Å; L37-K72 HydrophobicContact CD1-CG 4.07Å; L37-A82 HydrophobicContact CD1-CB 3.6Å; L37-A134 HydrophobicContact CB-CB 4.39Å; L37-A134 HydrophobicContact CD1-CB 4.26Å; L37-A134 HydrophobicContact CG-CB 4.11Å
38	T	94	Very high	90.8	Very high	65 Å²	65	71.9 Å²	71.9	40%	0.399	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.6	173.8	-53.6	0	0	0	0	108.8	H40 Y48 R49	T38-H40 PolarHBondContact O-CD2 3.39Å; T38-Y48 WeakPolarHBondContact O-CA 3.35Å; T38-R49 PolarHBondContact N-O 3.18Å; T38-R49 PolarHBondContact O-N 3.19Å
39	E	93.4	Very high	91.1	Very high	108 Å²	108	79.2 Å²	79.2	51%	0.505	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.5	177.9	-168.7	173.3	137.9	0	0	110.4	T46 Y48	E39-T46 HydrophobicContact CG-CG2 3.4Å; E39-T46 VanDerWaalsContact CG-CG2 3.4Å; E39-Y48 HydrophobicContact CB-CD1 4.13Å; E39-Y48 HydrophobicContact CB-CE1 3.76Å; E39-Y48 HydrophobicContact CG-CD1 4.37Å; E39-Y48 HydrophobicContact CG-CE1 3.74Å; E39-Y48 PolarHBondContact OE2-OH 3.15Å
40	H	91.1	Very high	91.3	Very high	87 Å²	87	75.5 Å²	75.5	40%	0.403	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.1	173.4	-66.6	-85.6	0	0	0	108.4	T38 T47	T38-H40 PolarHBondContact O-CD2 3.39Å; H40-T47 PolarHBondContact N-O 3.5Å; H40-T47 PolarHBondContact O-N 3.42Å; H40-T47 PolarHBondContact O-OG1 3Å
41	T	89.7	Confident	91.4	Very high	85 Å²	85	75.9 Å²	75.9	52%	0.521	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.8	177	-63.7	0	0	0	0	108.8	H45 T46	T41-H45 WeakPolarHBondContact CA-O 3.3Å; T41-T46 PolarHBondContact OG1-OG1 3.43Å; T41-T46 VanDerWaalsContact OG1-OG1 3.07Å
42	E	86.7	Confident	91.5	Very high	168 Å²	168	75.5 Å²	75.5	79%	0.785	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.8	178	-169.1	171.7	-171.7	0	0	109	G44 H45	E42-G44 PolarHBondContact O-N 2.95Å; E42-G44 VanDerWaalsContact O-N 3.13Å; E42-H45 PolarHBondContact N-O 3.36Å; E42-H45 VanDerWaalsContact N-O 3.11Å; E42-H45 PolarHBondContact O-N 3.15Å
43	G	84.9	Confident	91.4	Very high	76 Å²	76	72.7 Å²	72.7	78%	0.784	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	30.2	179.7	0	0	0	0	0	115	H45	G43-H45 PolarHBondContact O-N 3.38Å; G43-H45 PolarHBondContact O-ND1 3.16Å; G43-H45 VanDerWaalsContact O-ND1 3.1Å
44	G	86	Confident	91.2	Very high	71 Å²	71	74.8 Å²	74.8	73%	0.732	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-0.1	-177.1	0	0	0	0	0	115.2	E42	E42-G44 PolarHBondContact O-N 2.95Å; E42-G44 VanDerWaalsContact O-N 3.13Å
45	H	83.8	Confident	90.8	Very high	147 Å²	147	79.1 Å²	79.1	68%	0.681	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.5	176.4	-65.3	77.5	0	0	0	109.7	T41 E42 G43	T41-H45 WeakPolarHBondContact CA-O 3.3Å; E42-H45 PolarHBondContact N-O 3.36Å; E42-H45 VanDerWaalsContact N-O 3.11Å; E42-H45 PolarHBondContact O-N 3.15Å; G43-H45 PolarHBondContact O-N 3.38Å; G43-H45 PolarHBondContact O-ND1 3.16Å; G43-H45 VanDerWaalsContact O-ND1 3.1Å
46	T	87.2	Confident	90.4	Very high	66 Å²	66	79.1 Å²	79.1	41%	0.405	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.6	176.3	-57.6	0	0	0	0	109.8	E39 T41 Y48	E39-T46 HydrophobicContact CG-CG2 3.4Å; E39-T46 VanDerWaalsContact CG-CG2 3.4Å; T41-T46 PolarHBondContact OG1-OG1 3.43Å; T41-T46 VanDerWaalsContact OG1-OG1 3.07Å; T46-Y48 HydrophobicContact CG2-CE2 3.91Å
47	T	90	Very high	89.7	Confident	83 Å²	83	77.2 Å²	77.2	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.4	172.8	62.5	0	0	0	0	109.6	H40	H40-T47 PolarHBondContact N-O 3.5Å; H40-T47 PolarHBondContact O-N 3.42Å; H40-T47 PolarHBondContact O-OG1 3Å
48	Y	93.9	Very high	89.1	Confident	49 Å²	49	82.6 Å²	82.6	19%	0.192	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.1	175.3	-67	-86.2	0	0	0	109.2	L37 T38 E39 T46 S70 M71 K72	L37-Y48 HydrophobicContact CB-CD1 4.19Å; T38-Y48 WeakPolarHBondContact O-CA 3.35Å; E39-Y48 HydrophobicContact CB-CD1 4.13Å; E39-Y48 HydrophobicContact CB-CE1 3.76Å; E39-Y48 HydrophobicContact CG-CD1 4.37Å; E39-Y48 HydrophobicContact CG-CE1 3.74Å; E39-Y48 PolarHBondContact OE2-OH 3.15Å; T46-Y48 HydrophobicContact CG2-CE2 3.91Å; Y48-S70 PolarHBondContact O-OG 2.94Å; Y48-M71 HydrophobicContact CD2-CB 4.34Å; Y48-K72 HydrophobicContact CD1-CG 4.43Å; Y48-K72 HydrophobicContact CE1-CB 4.4Å; Y48-K72 HydrophobicContact CE1-CD 3.94Å; Y48-K72 HydrophobicContact CE1-CG 4.06Å; Y48-K72 HydrophobicContact CE2-CB 4.13Å
49	R	92.8	Very high	88.5	Confident	165 Å²	165	82 Å²	82	62%	0.623	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.1	172.7	-175.6	176.3	-176.5	136.7	4	109.2	L37 T38	L37-R49 WeakPolarHBondContact CA-O 3.41Å; T38-R49 PolarHBondContact N-O 3.18Å; T38-R49 PolarHBondContact O-N 3.19Å
50	F	94.2	Very high	88	Confident	27 Å²	27	77.1 Å²	77.1	12%	0.118	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.2	172	-173	-94.2	0	0	0	110.5	Y35 L37 L52 M68 L84	Y35-F50 HydrophobicContact CD1-CE2 4.22Å; Y35-F50 AromaticContact CD2-CD2 3.46Å; Y35-F50 HydrophobicContact CD2-CD2 3.46Å; Y35-F50 VanDerWaalsContact CD2-CD2 3.46Å; Y35-F50 AromaticContact CD2-CE2 3.05Å; Y35-F50 HydrophobicContact CD2-CE2 3.05Å; Y35-F50 AromaticContact CD2-CZ 3.91Å; Y35-F50 HydrophobicContact CD2-CZ 3.91Å; Y35-F50 HydrophobicContact CE2-CD2 4.01Å; Y35-F50 AromaticContact CE2-CE2 3.67Å; Y35-F50 HydrophobicContact CE2-CE2 3.67Å; Y35-F50 HydrophobicContact CG-CD2 4.18Å; Y35-F50 AromaticContact CG-CE2 3.38Å; Y35-F50 HydrophobicContact CG-CE2 3.38Å; Y35-F50 AromaticContact CG-CZ 3.76Å; Y35-F50 HydrophobicContact CG-CZ 3.76Å; L37-F50 HydrophobicContact CD2-CB 4.15Å; L37-F50 HydrophobicContact CD2-CD2 3.75Å; L37-F50 HydrophobicContact CD2-CG 4.42Å; F50-L52 HydrophobicContact CE1-CD2 3.62Å; F50-L52 HydrophobicContact CE1-CG 3.75Å; F50-L52 HydrophobicContact CZ-CD2 3.93Å; F50-M68 HydrophobicContact CB-CE 3.98Å; F50-M68 HydrophobicContact CD1-CE 3.85Å; F50-M68 HydrophobicContact CE1-CE 4.46Å; F50-M68 HydrophobicContact CG-CE 3.91Å; F50-L84 HydrophobicContact CD2-CD1 4.24Å; F50-L84 HydrophobicContact CD2-CD2 3.73Å; F50-L84 HydrophobicContact CD2-CG 4.44Å; F50-L84 HydrophobicContact CE2-CD1 3.78Å; F50-L84 HydrophobicContact CE2-CD2 4.1Å; F50-L84 HydrophobicContact CE2-CG 4.32Å; F50-L84 HydrophobicContact CG-CD2 4.35Å; F50-L84 HydrophobicContact CZ-CD1 4.15Å
51	T	93.4	Very high	87.6	Confident	62 Å²	62	76.5 Å²	76.5	38%	0.38	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	116.1	176.6	-60.2	0	0	0	0	109.7	Y35 K36	Y35-T51 CarbonylContact C-O 3.58Å; Y35-T51 WeakPolarHBondContact CA-O 3.43Å; Y35-T51 WeakPolarHBondContact CB-O 3.25Å; K36-T51 PolarHBondContact N-O 2.96Å; K36-T51 PolarHBondContact O-N 3.37Å
52	L	92.8	Very high	87.3	Confident	13 Å²	13	79.6 Å²	79.6	7%	0.068	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	148	173.9	-71.9	169.5	0	0	0	111	F50 L56 F60 V64 L110	F50-L52 HydrophobicContact CE1-CD2 3.62Å; F50-L52 HydrophobicContact CE1-CG 3.75Å; F50-L52 HydrophobicContact CZ-CD2 3.93Å; L52-L56 HydrophobicContact CD2-CB 4.43Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; L52-F60 HydrophobicContact CD1-CB 3.79Å; L52-V64 HydrophobicContact CD1-CG2 4.17Å; L52-L110 HydrophobicContact CD1-CD2 4.06Å; L52-L110 HydrophobicContact CD2-CD2 4.34Å
53	A	91.1	Very high	87.1	Confident	24 Å²	24	73.5 Å²	73.5	20%	0.198	41%	0.409	C	S	.	.			trans	-61.3	146.8	166.5	0	0	0	0	0	109.8	S34 Y55 L56 K57	S34-A53 WeakPolarHBondContact O-CB 3.47Å; S34-A53 PolarHBondContact O-N 3.12Å; A53-Y55 HydrophobicContact CB-CD1 3.62Å; A53-Y55 HydrophobicContact CB-CE1 3.28Å; A53-Y55 PolarHBondContact O-N 3.36Å; A53-Y55 VanDerWaalsContact O-N 3.12Å; A53-L56 PolarHBondContact O-N 3.46Å; A53-K57 PolarHBondContact O-N 2.89Å; A53-K57 VanDerWaalsContact O-N 3.1Å
54	S	89.2	Confident	87.1	Confident	98 Å²	98	72 Å²	72	69%	0.685	39%	0.385	S	S	*	.	H	α-helix	trans	-52.5	-39.9	-174.4	49.1	0	0	0	0	113.2	L56 K57	S54-L56 PolarHBondContact O-N 3.37Å; S54-K57 WeakPolarHBondContact O-CB 3.49Å; S54-K57 PolarHBondContact O-N 3.09Å
55	Y	86.9	Confident	86.9	Confident	91 Å²	91	69.9 Å²	69.9	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-69.2	-15.8	-179.4	71.5	-92	0	0	0	114.7	S34 A53	S34-Y55 WeakPolarHBondContact CA-OH 3.4Å; S34-Y55 VanDerWaalsContact CB-OH 3.28Å; S34-Y55 WeakPolarHBondContact CB-OH 3.47Å; A53-Y55 HydrophobicContact CB-CD1 3.62Å; A53-Y55 HydrophobicContact CB-CE1 3.28Å; A53-Y55 PolarHBondContact O-N 3.36Å; A53-Y55 VanDerWaalsContact O-N 3.12Å
56	L	86.3	Confident	87	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-101.4	-18.6	171.9	-67.7	-175.7	0	0	0	112.4	L52 A53 S54 D58 S59 F60 L108 L509	L52-L56 HydrophobicContact CD2-CB 4.43Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; A53-L56 PolarHBondContact O-N 3.46Å; S54-L56 PolarHBondContact O-N 3.37Å; L56-D58 PolarHBondContact O-N 3.06Å; L56-S59 PolarHBondContact O-N 3.35Å; L56-F60 WeakPolarHBondContact O-CB 2.93Å; L56-F60 PolarHBondContact O-N 3.21Å; L56-L108 HydrophobicContact CD1-CD2 3.84Å; L56-L108 HydrophobicContact CD1-CG 4.46Å; L56-L108 HydrophobicContact CD2-CD2 4.28Å; L56-L509 HydrophobicContact CD2-CD1 4.34Å
57	K	81.9	Confident	87.1	Confident	114 Å²	114	73.2 Å²	73.2	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-56.7	-51.2	-168.4	-169.7	-178.1	177.9	-170.4	0	111.1	A53 S54 S59 F60 I61	A53-K57 PolarHBondContact O-N 2.89Å; A53-K57 VanDerWaalsContact O-N 3.1Å; S54-K57 WeakPolarHBondContact O-CB 3.49Å; S54-K57 PolarHBondContact O-N 3.09Å; K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 3.03Å; K57-F60 PolarHBondContact O-N 3.34Å; K57-I61 HydrophobicContact CG-CB 4.46Å; K57-I61 WeakPolarHBondContact O-CB 3.35Å; K57-I61 WeakPolarHBondContact O-CG2 3.4Å; K57-I61 PolarHBondContact O-N 2.89Å
58	D	81.1	Confident	87.2	Confident	134 Å²	134	70.5 Å²	70.5	72%	0.717	35%	0.353	S	S	*	.	H	α-helix	trans	-66.7	-33.3	-174.9	-58	-25.2	0	0	0	112.3	L56	L56-D58 PolarHBondContact O-N 3.06Å
59	S	82.7	Confident	87.3	Confident	53 Å²	53	71.7 Å²	71.7	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-81	-34.9	179.3	-52.9	0	0	0	0	112.9	L56 K57	L56-S59 PolarHBondContact O-N 3.35Å; K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 3.03Å
60	F	82.9	Confident	87.4	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-114.8	-10	-163.6	-78.1	29.4	0	0	0	114.3	L52 L56 K57 H62 F63 L110 H111 L506	L52-F60 HydrophobicContact CD1-CB 3.79Å; L56-F60 WeakPolarHBondContact O-CB 2.93Å; L56-F60 PolarHBondContact O-N 3.21Å; K57-F60 PolarHBondContact O-N 3.34Å; F60-H62 PolarHBondContact O-N 3.32Å; F60-F63 PolarHBondContact O-N 2.91Å; F60-L110 HydrophobicContact CB-CD2 4.42Å; F60-H111 HydrophobicContact CD2-CB 4.21Å; F60-H111 HydrophobicContact CE1-CB 4.43Å; F60-H111 HydrophobicContact CE2-CB 3.91Å; F60-H111 HydrophobicContact CZ-CB 4.04Å; F60-L506 HydrophobicContact CE2-CD2 4.32Å; F60-L506 HydrophobicContact CZ-CD1 4.2Å; F60-L506 HydrophobicContact CZ-CD2 3.85Å; F60-L506 HydrophobicContact CZ-CG 4.05Å
61	I	81.1	Confident	87.6	Confident	73 Å²	73	64.1 Å²	64.1	37%	0.374	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-59.5	-33	-176.8	-167.7	64.4	0	0	0	112.8	K57 F63 V64	K57-I61 HydrophobicContact CG-CB 4.46Å; K57-I61 WeakPolarHBondContact O-CB 3.35Å; K57-I61 WeakPolarHBondContact O-CG2 3.4Å; K57-I61 PolarHBondContact O-N 2.89Å; I61-F63 PolarHBondContact O-N 3.41Å; I61-V64 HydrophobicContact CD1-CG2 4.27Å; I61-V64 WeakPolarHBondContact O-CB 3.35Å; I61-V64 PolarHBondContact O-N 3.4Å; I61-V64 VanDerWaalsContact O-N 3.11Å
62	H	83.6	Confident	87.7	Confident	150 Å²	150	64.7 Å²	64.7	69%	0.694	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.9	178.2	-59.4	-66.4	0	0	0	113.5	F60	F60-H62 PolarHBondContact O-N 3.32Å
63	F	82.9	Confident	88	Confident	41 Å²	41	64.7 Å²	64.7	18%	0.18	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-95.4	8.4	175.8	-53.8	-65.7	0	0	0	112.9	F60 I61 P65 L110 H111 Y114	F60-F63 PolarHBondContact O-N 2.91Å; I61-F63 PolarHBondContact O-N 3.41Å; F63-P65 WeakPolarHBondContact O-CD 3.32Å; F63-L110 HydrophobicContact CB-CD2 4.39Å; F63-L110 HydrophobicContact CB-CG 4.27Å; F63-H111 AromaticContact CD1-ND1 3.47Å; F63-H111 WeakPolarHBondContact CD1-ND1 3.49Å; F63-H111 HydrophobicContact CD2-CB 3.94Å; F63-H111 AromaticContact CD2-CG 3.94Å; F63-H111 AromaticContact CD2-ND1 3.29Å; F63-H111 VanDerWaalsContact CD2-ND1 3.29Å; F63-H111 WeakPolarHBondContact CD2-ND1 3.5Å; F63-H111 AromaticContact CE1-CE1 3.54Å; F63-H111 AromaticContact CE1-ND1 3.18Å; F63-H111 WeakPolarHBondContact CE1-ND1 3.35Å; F63-H111 HydrophobicContact CE2-CB 4.38Å; F63-H111 AromaticContact CE2-CE1 3.7Å; F63-H111 AromaticContact CE2-CG 3.93Å; F63-H111 AromaticContact CE2-ND1 3.05Å; F63-H111 WeakPolarHBondContact CE2-ND1 3.29Å; F63-H111 HydrophobicContact CG-CB 4.26Å; F63-H111 AromaticContact CG-ND1 3.53Å; F63-H111 AromaticContact CZ-CE1 3.27Å; F63-H111 WeakPolarHBondContact CZ-CE1 3.28Å; F63-H111 AromaticContact CZ-ND1 3Å; F63-H111 WeakPolarHBondContact CZ-ND1 3.19Å; F63-Y114 HydrophobicContact CB-CG 4.19Å; F63-Y114 AromaticContact CD1-CD1 3.48Å; F63-Y114 HydrophobicContact CD1-CD1 3.48Å; F63-Y114 VanDerWaalsContact CD1-CD1 3.48Å; F63-Y114 HydrophobicContact CD1-CE1 4Å; F63-Y114 AromaticContact CD1-CG 3.95Å; F63-Y114 HydrophobicContact CD1-CG 3.95Å; F63-Y114 HydrophobicContact CE1-CD1 4.19Å; F63-Y114 HydrophobicContact CE1-CE1 4.48Å; F63-Y114 HydrophobicContact CG-CD1 4.47Å
64	V	84.5	Confident	88.3	Confident	45 Å²	45	68 Å²	68	27%	0.273	35%	0.352	S	S	.	.			trans	-94.2	92.6	170.4	-174	0	0	0	0	108.2	L52 I61 M68 L110	L52-V64 HydrophobicContact CD1-CG2 4.17Å; I61-V64 HydrophobicContact CD1-CG2 4.27Å; I61-V64 WeakPolarHBondContact O-CB 3.35Å; I61-V64 PolarHBondContact O-N 3.4Å; I61-V64 VanDerWaalsContact O-N 3.11Å; V64-M68 HydrophobicContact CG1-CE 3.66Å; V64-M68 HydrophobicContact CG1-SD 4.4Å; V64-L110 HydrophobicContact CB-CD2 4.43Å; V64-L110 HydrophobicContact CG2-CD1 4.47Å; V64-L110 HydrophobicContact CG2-CD2 3.34Å; V64-L110 HydrophobicContact CG2-CG 4.46Å
65	P	83.2	Confident	88.8	Confident	25 Å²	25	63.7 Å²	63.7	16%	0.162	32%	0.322	C	S	.	.			trans	-69.2	148.2	177.9	30	-32.8	0	0	0	110.1	F63 N67 M68 M86 Y114	F63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-N67 WeakPolarHBondContact CB-OD1 3.31Å; P65-N67 PolarHBondContact O-N 2.79Å; P65-N67 VanDerWaalsContact O-N 3.17Å; P65-M68 HydrophobicContact CG-CB 4.04Å; P65-M68 VanDerWaalsContact O-CB 3.22Å; P65-M68 WeakPolarHBondContact O-CB 3.41Å; P65-M68 PolarHBondContact O-N 3.07Å; P65-M86 HydrophobicContact CG-CE 4.02Å; P65-M86 HydrophobicContact CG-CG 3.67Å; P65-M86 HydrophobicContact CG-SD 3.93Å; P65-Y114 HydrophobicContact CB-CE2 4.49Å; P65-Y114 HydrophobicContact CG-CD2 4.35Å
66	E	85	Confident	89.3	Confident	207 Å²	207	67.1 Å²	67.1	97%	0.967	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.5	-174.8	-64.6	-173.5	162.6	0	0	113.3	M68	E66-M68 VanDerWaalsContact C-N 3.32Å
67	N	88.7	Confident	89.8	Confident	77 Å²	77	73.2 Å²	73.2	41%	0.412	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.1	179.9	67	-12.4	0	0	0	113.6	P65 E69 P87	P65-N67 WeakPolarHBondContact CB-OD1 3.31Å; P65-N67 PolarHBondContact O-N 2.79Å; P65-N67 VanDerWaalsContact O-N 3.17Å; N67-E69 PolarHBondContact O-N 2.72Å; N67-P87 HydrophobicContact CB-CG 4.33Å; N67-P87 PolarHBondContact ND2-O 3.35Å; N67-P87 WeakPolarHBondContact O-CD 3.49Å; N67-P87 WeakPolarHBondContact O-CG 3.49Å; N67-P87 PolarHBondContact OD1-O 2.7Å
68	M	93.6	Very high	90.6	Very high	25 Å²	25	70.3 Å²	70.3	12%	0.123	36%	0.359	C	S	.	.			trans	-66.7	124.5	173.1	-171.9	-176.6	75.2	0	0	110.2	F50 V64 P65 E66 L84 M86 L110	F50-M68 HydrophobicContact CB-CE 3.98Å; F50-M68 HydrophobicContact CD1-CE 3.85Å; F50-M68 HydrophobicContact CE1-CE 4.46Å; F50-M68 HydrophobicContact CG-CE 3.91Å; V64-M68 HydrophobicContact CG1-CE 3.66Å; V64-M68 HydrophobicContact CG1-SD 4.4Å; P65-M68 HydrophobicContact CG-CB 4.04Å; P65-M68 VanDerWaalsContact O-CB 3.22Å; P65-M68 WeakPolarHBondContact O-CB 3.41Å; P65-M68 PolarHBondContact O-N 3.07Å; E66-M68 VanDerWaalsContact C-N 3.32Å; M68-L84 HydrophobicContact CE-CD1 4.42Å; M68-L84 HydrophobicContact CE-CD2 3.99Å; M68-L84 HydrophobicContact SD-CD1 3.99Å; M68-L84 HydrophobicContact SD-CD2 4.19Å; M68-M86 HydrophobicContact SD-CE 4.11Å; M68-L110 HydrophobicContact CE-CD1 4.5Å; M68-L110 HydrophobicContact SD-CD1 3.6Å
69	E	94.9	Very high	91.4	Very high	74 Å²	74	65 Å²	65	35%	0.346	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.9	173.6	-71.1	-178.5	-120.2	0	0	110.7	N67 L84 Y85 K158 Y159	N67-E69 PolarHBondContact O-N 2.72Å; E69-L84 WeakPolarHBondContact O-CA 3.37Å; E69-Y85 PolarHBondContact N-O 3.16Å; E69-Y85 PolarHBondContact O-N 3.38Å; E69-K158 IonicContact OE2-NZ 3.6Å; E69-K158 PolarHBondContact OE2-NZ 3.31Å; E69-Y159 WeakPolarHBondContact OE1-CE1 3.39Å; E69-Y159 PolarHBondContact OE2-OH 3.38Å
70	S	96.3	Very high	92.1	Very high	17 Å²	17	65.5 Å²	65.5	12%	0.119	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.5	170	80.9	0	0	0	0	110.6	Y48 I83	Y48-S70 PolarHBondContact O-OG 2.94Å; S70-I83 WeakPolarHBondContact CA-O 3.47Å
71	M	96.6	Very high	92.9	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.084	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	172.1	179.8	72.9	-173.6	85.5	0	0	113.2	Y48 A82 I83 V154 K158 Y159	Y48-M71 HydrophobicContact CD2-CB 4.34Å; M71-A82 WeakPolarHBondContact O-CA 3.17Å; M71-I83 HydrophobicContact CG-CB 3.83Å; M71-I83 HydrophobicContact CG-CG2 4.42Å; M71-I83 PolarHBondContact N-O 3.47Å; M71-I83 PolarHBondContact O-N 2.75Å; M71-V154 HydrophobicContact CE-CG1 4.24Å; M71-V154 HydrophobicContact SD-CG1 3.69Å; M71-K158 HydrophobicContact CE-CD 3.96Å; M71-K158 VanDerWaalsContact CE-NZ 3.27Å; M71-K158 HydrophobicContact SD-CD 4.01Å; M71-Y159 HydrophobicContact CE-CE2 3.67Å; M71-Y159 WeakPolarHBondContact CE-OH 3.44Å
72	K	97.4	Very high	93.7	Very high	73 Å²	73	61.8 Å²	61.8	32%	0.317	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.4	162.1	-70	-174.8	175.1	-179.5	0	111.1	L37 Y48 I81 A134	L37-K72 HydrophobicContact CD1-CG 4.07Å; Y48-K72 HydrophobicContact CD1-CG 4.43Å; Y48-K72 HydrophobicContact CE1-CB 4.4Å; Y48-K72 HydrophobicContact CE1-CD 3.94Å; Y48-K72 HydrophobicContact CE1-CG 4.06Å; Y48-K72 HydrophobicContact CE2-CB 4.13Å; K72-I81 CarbonylContact C-O 3.55Å; K72-I81 WeakPolarHBondContact CA-O 3.25Å; K72-A134 PolarHBondContact NZ-O 3.5Å
73	A	97.7	Very high	94.4	Very high	14 Å²	14	54.6 Å²	54.6	12%	0.116	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.4	174.2	0	0	0	0	0	110.9	N80 I81 I83 C150 V154	A73-N80 WeakPolarHBondContact O-CA 3.3Å; A73-I81 HydrophobicContact CB-CG1 4.48Å; A73-I81 PolarHBondContact N-O 3.04Å; A73-I81 WeakPolarHBondContact O-CG1 3.31Å; A73-I81 PolarHBondContact O-N 2.86Å; A73-I83 HydrophobicContact CB-CD1 3.78Å; A73-C150 VanDerWaalsContact CB-SG 3.53Å; A73-V154 HydrophobicContact CB-CG2 3.77Å
74	T	98.3	Very high	95.1	Very high	93 Å²	93	52.7 Å²	52.7	57%	0.571	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	124	179.1	-49.1	0	0	0	0	110.3	N79 N80	T74-N79 CarbonylContact C-O 3.53Å; T74-N79 WeakPolarHBondContact CA-O 3.35Å; T74-N80 WeakPolarHBondContact CB-OD1 3.29Å; T74-N80 PolarHBondContact OG1-OD1 2.91Å
75	T	98.6	Very high	95.7	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.043	26%	0.259	C	S	.	.			trans	-78.8	163.6	177.7	74.6	0	0	0	0	111.4	R77 G78 N79 I81 D147 C150	T75-R77 PolarHBondContact O-N 2.88Å; T75-R77 PolarHBondContact OG1-N 2.96Å; T75-G78 PolarHBondContact O-N 2.81Å; T75-N79 WeakPolarHBondContact CG2-O 3.18Å; T75-N79 PolarHBondContact N-O 3.47Å; T75-N79 PolarHBondContact OG1-N 3.46Å; T75-N79 PolarHBondContact OG1-O 2.99Å; T75-I81 HydrophobicContact CG2-CD1 4.22Å; T75-I81 HydrophobicContact CG2-CG1 4.05Å; T75-I81 HydrophobicContact CG2-CG2 3.79Å; T75-D147 WeakPolarHBondContact CG2-OD1 3.11Å; T75-C150 HydrophobicContact CG2-CB 3.79Å
76	R	98	Very high	96.3	Very high	163 Å²	163	50.2 Å²	50.2	62%	0.615	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.5	173.1	69.4	174.8	-179.4	-161.5	-14.9	114.5	A146 E149	R76-A146 HydrophobicContact CG-CB 3.83Å; R76-E149 VanDerWaalsContact CZ-CD 3.46Å; R76-E149 IonicContact CZ-OE1 3.56Å; R76-E149 VanDerWaalsContact CZ-OE1 3.24Å; R76-E149 IonicContact CZ-OE2 3.18Å; R76-E149 IonicContact NE-OE2 2.98Å; R76-E149 IonicContact NH1-OE1 3.2Å; R76-E149 PolarHBondContact NH1-OE1 3.19Å; R76-E149 IonicContact NH1-OE2 2.7Å; R76-E149 PolarHBondContact NH1-OE2 3.44Å; R76-E149 VanDerWaalsContact NH2-CD 3.31Å; R76-E149 IonicContact NH2-OE1 3.83Å; R76-E149 PolarHBondContact NH2-OE1 3.13Å; R76-E149 IonicContact NH2-OE2 3.97Å; R76-E149 PolarHBondContact NH2-OE2 2.77Å
77	R	97.5	Very high	96.7	Very high	130 Å²	130	41.6 Å²	41.6	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6.9	177.8	-62.7	-171.6	61.4	71.2	10.5	112.9	T75 K142 N143 A146	T75-R77 PolarHBondContact O-N 2.88Å; T75-R77 PolarHBondContact OG1-N 2.96Å; R77-K142 WeakPolarHBondContact CD-O 3.38Å; R77-N143 VanDerWaalsContact CD-OD1 3.26Å; R77-N143 WeakPolarHBondContact CD-OD1 3.43Å; R77-N143 PolarHBondContact NE-OD1 2.88Å; R77-A146 HydrophobicContact CB-CB 4.3Å; R77-A146 HydrophobicContact CG-CB 3.71Å
78	G	98	Very high	96.7	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	20%	0.203	S	C	.	.	S	Bend	trans	81.4	8	175.7	0	0	0	0	0	115	T75	T75-G78 PolarHBondContact O-N 2.81Å
79	N	98.2	Very high	96.2	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.118	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-86.8	139.9	174.3	-57	-33.7	0	0	0	109.2	T74 T75 S130 G137 N143	T74-N79 CarbonylContact C-O 3.53Å; T74-N79 WeakPolarHBondContact CA-O 3.35Å; T75-N79 WeakPolarHBondContact CG2-O 3.18Å; T75-N79 PolarHBondContact N-O 3.47Å; T75-N79 PolarHBondContact OG1-N 3.46Å; T75-N79 PolarHBondContact OG1-O 2.99Å; N79-S130 PolarHBondContact ND2-OG 3.11Å; N79-G137 WeakPolarHBondContact OD1-CA 3.33Å; N79-N143 PolarHBondContact ND2-ND2 2.91Å
80	N	98	Very high	95.5	Very high	65 Å²	65	43.3 Å²	43.3	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.7	165.8	-63.4	-49.5	0	0	0	109.6	A73 T74 S135 S136	A73-N80 WeakPolarHBondContact O-CA 3.3Å; T74-N80 WeakPolarHBondContact CB-OD1 3.29Å; T74-N80 PolarHBondContact OG1-OD1 2.91Å; N80-S135 WeakPolarHBondContact O-CA 3.45Å; N80-S136 PolarHBondContact N-OG 3.13Å; N80-S136 PolarHBondContact O-N 2.71Å; N80-S136 PolarHBondContact O-OG 3.47Å
81	I	98.6	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142.2	175.7	58.4	164.9	0	0	0	110.9	K72 A73 T75 I83 Y127 S135 D147 C150	K72-I81 CarbonylContact C-O 3.55Å; K72-I81 WeakPolarHBondContact CA-O 3.25Å; A73-I81 HydrophobicContact CB-CG1 4.48Å; A73-I81 PolarHBondContact N-O 3.04Å; A73-I81 WeakPolarHBondContact O-CG1 3.31Å; A73-I81 PolarHBondContact O-N 2.86Å; T75-I81 HydrophobicContact CG2-CD1 4.22Å; T75-I81 HydrophobicContact CG2-CG1 4.05Å; T75-I81 HydrophobicContact CG2-CG2 3.79Å; I81-I83 HydrophobicContact CD1-CD1 4.14Å; I81-I83 HydrophobicContact CD1-CG1 4.21Å; I81-I83 HydrophobicContact CG1-CD1 4.38Å; I81-I83 HydrophobicContact CG1-CG1 4.31Å; I81-Y127 HydrophobicContact CD1-CD2 4.22Å; I81-S135 VanDerWaalsContact CA-OG 3.28Å; I81-S135 WeakPolarHBondContact CA-OG 3.25Å; I81-D147 HydrophobicContact CD1-CB 4.27Å; I81-D147 WeakPolarHBondContact CD1-O 3.44Å; I81-D147 HydrophobicContact CG2-CB 4.06Å; I81-D147 WeakPolarHBondContact CG2-OD1 3.47Å; I81-C150 HydrophobicContact CD1-CB 3.99Å
82	A	98.5	Very high	94.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.4	170.8	0	0	0	0	0	110.3	Y35 L37 M71 L106 Y127 D128 A134 S135	Y35-A82 WeakPolarHBondContact OH-CB 3.46Å; L37-A82 HydrophobicContact CD1-CB 3.6Å; M71-A82 WeakPolarHBondContact O-CA 3.17Å; A82-L106 HydrophobicContact CB-CD1 3.78Å; A82-Y127 VanDerWaalsContact O-CA 3.29Å; A82-Y127 WeakPolarHBondContact O-CA 3.34Å; A82-D128 HydrophobicContact CB-CB 4.42Å; A82-D128 PolarHBondContact O-N 2.81Å; A82-A134 HydrophobicContact CB-CB 4.16Å; A82-S135 PolarHBondContact N-OG 3.38Å
83	I	98.5	Very high	93.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	179.7	-57.4	177.7	0	0	0	108.3	S70 M71 A73 I81 M125 C126 A151 V154	S70-I83 WeakPolarHBondContact CA-O 3.47Å; M71-I83 HydrophobicContact CG-CB 3.83Å; M71-I83 HydrophobicContact CG-CG2 4.42Å; M71-I83 PolarHBondContact N-O 3.47Å; M71-I83 PolarHBondContact O-N 2.75Å; A73-I83 HydrophobicContact CB-CD1 3.78Å; I81-I83 HydrophobicContact CD1-CD1 4.14Å; I81-I83 HydrophobicContact CD1-CG1 4.21Å; I81-I83 HydrophobicContact CG1-CD1 4.38Å; I81-I83 HydrophobicContact CG1-CG1 4.31Å; I83-M125 HydrophobicContact CG2-CE 4.1Å; I83-M125 HydrophobicContact CG2-CG 3.66Å; I83-M125 HydrophobicContact CG2-SD 3.67Å; I83-C126 WeakPolarHBondContact CA-O 3.47Å; I83-A151 HydrophobicContact CD1-CB 4.4Å; I83-V154 HydrophobicContact CD1-CB 4.26Å; I83-V154 HydrophobicContact CD1-CG1 4.4Å; I83-V154 HydrophobicContact CD1-CG2 3.87Å
84	L	97.6	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	165	-69.9	-174	0	0	0	109.4	F50 M68 E69 L106 L110 M113 M125 C126	F50-L84 HydrophobicContact CD2-CD1 4.24Å; F50-L84 HydrophobicContact CD2-CD2 3.73Å; F50-L84 HydrophobicContact CD2-CG 4.44Å; F50-L84 HydrophobicContact CE2-CD1 3.78Å; F50-L84 HydrophobicContact CE2-CD2 4.1Å; F50-L84 HydrophobicContact CE2-CG 4.32Å; F50-L84 HydrophobicContact CG-CD2 4.35Å; F50-L84 HydrophobicContact CZ-CD1 4.15Å; M68-L84 HydrophobicContact CE-CD1 4.42Å; M68-L84 HydrophobicContact CE-CD2 3.99Å; M68-L84 HydrophobicContact SD-CD1 3.99Å; M68-L84 HydrophobicContact SD-CD2 4.19Å; E69-L84 WeakPolarHBondContact O-CA 3.37Å; L84-L106 HydrophobicContact CB-CD2 4.4Å; L84-L106 HydrophobicContact CD1-CB 3.94Å; L84-L106 HydrophobicContact CD1-CD2 4.46Å; L84-L106 HydrophobicContact CG-CB 4.23Å; L84-L106 HydrophobicContact CG-CD1 4Å; L84-L106 HydrophobicContact CG-CD2 4.3Å; L84-L106 HydrophobicContact CG-CG 4.39Å; L84-L110 HydrophobicContact CD1-CD1 4.46Å; L84-M113 HydrophobicContact CB-CE 3.92Å; L84-M125 WeakPolarHBondContact O-CA 3.32Å; L84-C126 PolarHBondContact N-O 3Å; L84-C126 PolarHBondContact O-N 2.72Å
85	Y	97.2	Very high	93.7	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.071	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.9	169.8	-177.5	-114.2	0	0	0	109.3	E69 P87 T95 N123 M125 L155 Y159	E69-Y85 PolarHBondContact N-O 3.16Å; E69-Y85 PolarHBondContact O-N 3.38Å; Y85-P87 HydrophobicContact CD1-CG 4.34Å; Y85-P87 HydrophobicContact CE1-CB 4Å; Y85-P87 HydrophobicContact CE1-CG 4.12Å; Y85-P87 WeakPolarHBondContact O-CD 3.49Å; Y85-T95 HydrophobicContact CE2-CG2 3.98Å; Y85-N123 HydrophobicContact CE2-CB 4.22Å; Y85-M125 HydrophobicContact CD2-CB 4.02Å; Y85-M125 HydrophobicContact CD2-CE 3.79Å; Y85-M125 HydrophobicContact CG-CE 4.21Å; Y85-L155 HydrophobicContact CD2-CD2 4.31Å; Y85-L155 HydrophobicContact CE2-CD2 4.03Å; Y85-Y159 AromaticContact CD1-CD1 3.81Å; Y85-Y159 HydrophobicContact CD1-CD1 3.81Å; Y85-Y159 HydrophobicContact CD1-CD2 4.43Å; Y85-Y159 AromaticContact CD1-CE1 3.27Å; Y85-Y159 HydrophobicContact CD1-CE1 3.27Å; Y85-Y159 AromaticContact CD1-CE2 3.94Å; Y85-Y159 HydrophobicContact CD1-CE2 3.94Å; Y85-Y159 HydrophobicContact CD1-CG 4.35Å; Y85-Y159 AromaticContact CD1-CZ 3.32Å; Y85-Y159 HydrophobicContact CD2-CD2 4.48Å; Y85-Y159 HydrophobicContact CD2-CE2 4.29Å; Y85-Y159 AromaticContact CE1-CD1 3.56Å; Y85-Y159 HydrophobicContact CE1-CD1 3.56Å; Y85-Y159 AromaticContact CE1-CE1 3.5Å; Y85-Y159 HydrophobicContact CE1-CE1 3.5Å; Y85-Y159 HydrophobicContact CE1-CG 4.12Å; Y85-Y159 AromaticContact CE1-CZ 3.99Å; Y85-Y159 HydrophobicContact CG-CD2 4.35Å; Y85-Y159 HydrophobicContact CG-CE1 4.01Å; Y85-Y159 AromaticContact CG-CE2 3.8Å; Y85-Y159 HydrophobicContact CG-CE2 3.8Å; Y85-Y159 AromaticContact CG-CZ 3.6Å
86	M	95.1	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	92.1	-176	-172	-178	-68.6	0	0	108.7	P65 M68 I88 L110 M113 Y114 N123 I124	P65-M86 HydrophobicContact CG-CE 4.02Å; P65-M86 HydrophobicContact CG-CG 3.67Å; P65-M86 HydrophobicContact CG-SD 3.93Å; M68-M86 HydrophobicContact SD-CE 4.11Å; M86-I88 HydrophobicContact CG-CD1 3.72Å; M86-I88 PolarHBondContact O-N 2.95Å; M86-I88 HydrophobicContact SD-CD1 3.62Å; M86-L110 HydrophobicContact CE-CD1 3.79Å; M86-M113 HydrophobicContact CB-CE 4.48Å; M86-M113 HydrophobicContact CE-CB 4.12Å; M86-M113 HydrophobicContact SD-CB 4.41Å; M86-Y114 VanDerWaalsContact SD-CA 3.6Å; M86-Y114 HydrophobicContact SD-CD2 4.23Å; M86-N123 WeakPolarHBondContact O-CA 3.33Å; M86-I124 HydrophobicContact CB-CB 4.41Å; M86-I124 PolarHBondContact N-O 2.82Å; M86-I124 PolarHBondContact O-N 2.78Å
87	P	93.7	Very high	93.8	Very high	26 Å²	26	38.3 Å²	38.3	17%	0.169	22%	0.218	C	C	.	.			trans	-74.1	111.6	171	28.1	-28.2	0	0	0	108.6	N67 Y85 N123	N67-P87 HydrophobicContact CB-CG 4.33Å; N67-P87 PolarHBondContact ND2-O 3.35Å; N67-P87 WeakPolarHBondContact O-CD 3.49Å; N67-P87 WeakPolarHBondContact O-CG 3.49Å; N67-P87 PolarHBondContact OD1-O 2.7Å; Y85-P87 HydrophobicContact CD1-CG 4.34Å; Y85-P87 HydrophobicContact CE1-CB 4Å; Y85-P87 HydrophobicContact CE1-CG 4.12Å; Y85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-N123 WeakPolarHBondContact CA-OD1 3.44Å
88	I	88.8	Confident	93.8	Very high	37 Å²	37	32.2 Å²	32.2	19%	0.19	20%	0.195	C	C	.	.			trans	-76.5	-39.6	-174	-64.1	-66.9	0	0	0	111.1	M86 V122 N123	M86-I88 HydrophobicContact CG-CD1 3.72Å; M86-I88 PolarHBondContact O-N 2.95Å; M86-I88 HydrophobicContact SD-CD1 3.62Å; I88-V122 WeakPolarHBondContact CG1-O 3.36Å; I88-N123 PolarHBondContact N-OD1 3.35Å
89	N	82.6	Confident	93.9	Very high	39 Å²	39	29.8 Å²	29.8	21%	0.209	17%	0.17	C	C	.	.			trans	-155.2	158.4	170.6	57.6	77.7	0	0	0	111.1	S91 S92 N121	N89-S91 PolarHBondContact O-N 3.48Å; N89-S91 PolarHBondContact OD1-N 2.94Å; N89-S91 PolarHBondContact OD1-OG 2.84Å; N89-S92 PolarHBondContact ND2-OG 2.88Å; N89-S92 WeakPolarHBondContact O-CB 3.42Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 WeakPolarHBondContact OD1-CB 3.42Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.06Å; N89-N121 PolarHBondContact ND2-OD1 3.17Å
90	S	80.5	Confident	93.9	Very high	136 Å²	136	28.8 Å²	28.8	95%	0.951	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.5	-178.4	54.6	0	0	0	0	114.3
91	S	81.4	Confident	93.7	Very high	85 Å²	85	25.9 Å²	25.9	59%	0.594	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.9	179.5	76.8	0	0	0	0	113.7	N89 K93	N89-S91 PolarHBondContact O-N 3.48Å; N89-S91 PolarHBondContact OD1-N 2.94Å; N89-S91 PolarHBondContact OD1-OG 2.84Å; S91-K93 PolarHBondContact O-N 3.26Å
92	S	82.9	Confident	93.4	Very high	13 Å²	13	27.9 Å²	27.9	9%	0.091	16%	0.161	C	C	.	.			trans	-74.3	112.5	-175.3	-71	0	0	0	0	110.5	N89 N121 N123	N89-S92 PolarHBondContact ND2-OG 2.88Å; N89-S92 WeakPolarHBondContact O-CB 3.42Å; N89-S92 PolarHBondContact O-N 3.12Å; N89-S92 WeakPolarHBondContact OD1-CB 3.42Å; N89-S92 PolarHBondContact OD1-N 3.09Å; N89-S92 PolarHBondContact OD1-OG 3.06Å; S92-N121 PolarHBondContact OG-O 3.03Å; S92-N123 PolarHBondContact O-ND2 2.77Å
93	K	90.3	Very high	93.2	Very high	152 Å²	152	28.8 Å²	28.8	66%	0.661	17%	0.168	S	C	*	.			trans	-88.3	-31.7	175.1	-63.2	-175.6	-179.7	179.1	0	112.2	S91 Q165	S91-K93 PolarHBondContact O-N 3.26Å; K93-Q165 PolarHBondContact O-OE1 3.01Å
94	L	96.7	Very high	92.9	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.147	18%	0.179	C	C	.	.			trans	-80.8	133.3	-175.8	-162.7	71.4	0	0	0	110.4	F96 V122 N123 V167 A188 V285 L289	L94-F96 HydrophobicContact CD2-CE2 3.8Å; L94-F96 HydrophobicContact CG-CE2 4.31Å; L94-V122 HydrophobicContact CB-CG1 4.11Å; L94-V122 HydrophobicContact CD2-CG1 4.01Å; L94-V122 HydrophobicContact CG-CG1 4.46Å; L94-N123 PolarHBondContact O-N 3.32Å; L94-V167 HydrophobicContact CD1-CG2 3.93Å; L94-V167 HydrophobicContact CD2-CG2 3.94Å; L94-V167 HydrophobicContact CG-CG2 4.02Å; L94-A188 HydrophobicContact CD1-CB 4.16Å; L94-V285 HydrophobicContact CD2-CB 4.48Å; L94-V285 HydrophobicContact CD2-CG1 4.01Å; L94-V285 HydrophobicContact CD2-CG2 4.01Å; L94-L289 HydrophobicContact CD1-CD1 3.96Å; L94-L289 HydrophobicContact CD2-CD1 3.48Å; L94-L289 VanDerWaalsContact CD2-CD1 3.48Å; L94-L289 HydrophobicContact CG-CD1 4.39Å
95	T	98.1	Very high	92.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.3	179.7	-55.3	0	0	0	0	110.8	Y85 N123 L155 Q165 I166 V167	Y85-T95 HydrophobicContact CE2-CG2 3.98Å; T95-N123 CarbonylContact C-O 3.49Å; T95-N123 VanDerWaalsContact CA-O 3.3Å; T95-N123 WeakPolarHBondContact CA-O 3.43Å; T95-N123 HydrophobicContact CG2-CB 4.04Å; T95-L155 HydrophobicContact CG2-CD1 4.31Å; T95-L155 HydrophobicContact CG2-CD2 3.68Å; T95-Q165 PolarHBondContact N-O 2.89Å; T95-I166 CarbonylContact O-C 3.23Å; T95-I166 WeakPolarHBondContact O-CA 3.18Å; T95-V167 PolarHBondContact O-N 3.11Å
96	F	98.6	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.5	172.9	-77.8	-128.4	0	0	0	109.2	L94 L98 L116 L120 V122 N123 I124 M125 V167 Y169 V285	L94-F96 HydrophobicContact CD2-CE2 3.8Å; L94-F96 HydrophobicContact CG-CE2 4.31Å; F96-L98 HydrophobicContact CB-CD2 3.9Å; F96-L98 HydrophobicContact CD1-CD2 4.38Å; F96-L116 HydrophobicContact CD1-CD2 4.47Å; F96-L120 HydrophobicContact CE1-CD1 4.44Å; F96-L120 HydrophobicContact CZ-CD1 4.18Å; F96-V122 HydrophobicContact CD2-CB 3.99Å; F96-V122 HydrophobicContact CD2-CG1 4.32Å; F96-V122 HydrophobicContact CD2-CG2 3.64Å; F96-V122 HydrophobicContact CE2-CB 4.11Å; F96-V122 HydrophobicContact CE2-CG1 3.93Å; F96-V122 HydrophobicContact CE2-CG2 3.85Å; F96-V122 HydrophobicContact CG-CG2 4.36Å; F96-N123 PolarHBondContact N-O 3.19Å; F96-I124 HydrophobicContact CB-CD1 3.79Å; F96-I124 HydrophobicContact CG-CD1 4.29Å; F96-M125 PolarHBondContact O-N 2.96Å; F96-V167 CarbonylContact C-O 3.56Å; F96-V167 WeakPolarHBondContact CA-O 3.29Å; F96-V167 HydrophobicContact CD1-CB 4.22Å; F96-V167 HydrophobicContact CD1-CG1 4.04Å; F96-V167 HydrophobicContact CD2-CB 3.91Å; F96-V167 HydrophobicContact CD2-CG2 4.21Å; F96-V167 HydrophobicContact CE1-CB 4.25Å; F96-V167 HydrophobicContact CE1-CG1 3.83Å; F96-V167 HydrophobicContact CE2-CB 3.92Å; F96-V167 HydrophobicContact CE2-CG1 4.32Å; F96-V167 HydrophobicContact CE2-CG2 3.84Å; F96-V167 HydrophobicContact CG-CB 4.05Å; F96-V167 HydrophobicContact CG-CG1 4.39Å; F96-V167 HydrophobicContact CZ-CB 4.1Å; F96-V167 HydrophobicContact CZ-CG1 3.98Å; F96-V167 HydrophobicContact CZ-CG2 4.16Å; F96-Y169 HydrophobicContact CD1-CD2 4.4Å; F96-V285 HydrophobicContact CE2-CG2 4.02Å; F96-V285 HydrophobicContact CZ-CG2 3.81Å
97	L	98.8	Very high	92.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	104	168	178.5	59.1	0	0	0	108.7	M125 Y127 A151 L152 L155 I166 V167 L168 Y169 L181	L97-M125 CarbonylContact C-O 3.51Å; L97-M125 WeakPolarHBondContact CA-O 3.4Å; L97-M125 HydrophobicContact CD1-CB 4.03Å; L97-M125 HydrophobicContact CD1-CG 3.99Å; L97-M125 HydrophobicContact CD1-SD 4.1Å; L97-Y127 HydrophobicContact CD1-CD1 3.87Å; L97-Y127 HydrophobicContact CD1-CE1 3.98Å; L97-Y127 HydrophobicContact CG-CE1 4.35Å; L97-A151 HydrophobicContact CD1-CB 3.95Å; L97-L152 HydrophobicContact CD2-CB 3.93Å; L97-L152 HydrophobicContact CD2-CD1 4.21Å; L97-L155 HydrophobicContact CB-CD1 3.88Å; L97-L155 HydrophobicContact CD1-CD1 4.13Å; L97-L155 HydrophobicContact CD2-CD1 4.25Å; L97-L155 HydrophobicContact CG-CD1 4.31Å; L97-I166 HydrophobicContact CB-CG2 4.32Å; L97-V167 PolarHBondContact N-O 3.45Å; L97-L168 HydrophobicContact CB-CD2 4.15Å; L97-L168 HydrophobicContact CD2-CD2 3.86Å; L97-L168 HydrophobicContact CG-CD2 4.43Å; L97-Y169 PolarHBondContact O-N 2.72Å; L97-L181 HydrophobicContact CD2-CD1 4.08Å
98	L	98.7	Very high	92.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.8	-177.3	-52.3	-170.8	0	0	0	111.1	F96 M109 F112 M113 L116 I124 M125 C126 Y127 Y169	F96-L98 HydrophobicContact CB-CD2 3.9Å; F96-L98 HydrophobicContact CD1-CD2 4.38Å; L98-M109 HydrophobicContact CD1-CE 4.47Å; L98-F112 HydrophobicContact CD1-CD1 4.2Å; L98-F112 HydrophobicContact CD1-CE1 3.99Å; L98-M113 HydrophobicContact CD1-CG 3.92Å; L98-L116 HydrophobicContact CD2-CD2 4.32Å; L98-I124 HydrophobicContact CD1-CG2 3.45Å; L98-I124 VanDerWaalsContact CD1-CG2 3.45Å; L98-I124 HydrophobicContact CG-CG2 3.7Å; L98-M125 PolarHBondContact N-O 3.06Å; L98-C126 HydrophobicContact CB-CB 4.16Å; L98-Y127 WeakPolarHBondContact O-CE1 3.45Å; L98-Y169 CarbonylContact C-O 3.46Å; L98-Y169 WeakPolarHBondContact CA-O 3.49Å; L98-Y169 HydrophobicContact CD2-CD1 3.62Å; L98-Y169 HydrophobicContact CD2-CD2 4.44Å; L98-Y169 HydrophobicContact CD2-CE1 4.44Å; L98-Y169 HydrophobicContact CD2-CG 3.63Å
99	S	98.7	Very high	93.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105.5	163.2	-52.9	0	0	0	0	107.7	Y127 Y129 Y169 G170 Q171 G174 T178	S99-Y127 PolarHBondContact OG-OH 3.17Å; S99-Y129 WeakPolarHBondContact CB-OH 3.34Å; S99-Y169 PolarHBondContact N-O 2.84Å; S99-G170 WeakPolarHBondContact O-CA 3.48Å; S99-Q171 PolarHBondContact O-N 2.85Å; S99-Q171 VanDerWaalsContact O-N 3.16Å; S99-G174 VanDerWaalsContact CB-O 3.29Å; S99-G174 WeakPolarHBondContact CB-O 3.4Å; S99-G174 WeakPolarHBondContact O-CA 3.39Å; S99-T178 PolarHBondContact OG-OG1 3.1Å
100	H	97.8	Very high	93.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	16%	0.159	C	C	.	.			trans	-69.5	166.8	-171.3	65.9	72.8	0	0	0	113.9	V104 M109 Y127 D128 Y129 Y132	H100-V104 HydrophobicContact CB-CG2 3.89Å; H100-V104 PolarHBondContact CE1-O 2.9Å; H100-V104 VanDerWaalsContact CE1-O 3.31Å; H100-M109 HydrophobicContact CB-CE 3.96Å; H100-M109 HydrophobicContact CB-CG 3.76Å; H100-M109 HydrophobicContact CB-SD 3.67Å; H100-Y127 PolarHBondContact CD2-O 2.78Å; H100-Y127 PolarHBondContact NE2-O 2.85Å; H100-D128 IonicContact CD2-OD1 2.75Å; H100-D128 IonicContact NE2-OD1 3.71Å; H100-D128 PolarHBondContact NE2-OD1 2.91Å; H100-Y129 AromaticContact CE1-CD2 3.46Å; H100-Y129 VanDerWaalsContact CE1-CD2 3.46Å; H100-Y129 WeakPolarHBondContact CE1-CD2 3.32Å; H100-Y129 AromaticContact CE1-CE2 3.39Å; H100-Y129 WeakPolarHBondContact CE1-CE2 3.44Å; H100-Y129 PolarHBondContact N-OH 3.3Å; H100-Y129 VanDerWaalsContact N-OH 3.11Å; H100-Y129 AromaticContact ND1-CE2 3.61Å; H100-Y129 AromaticContact NE2-CD2 3.85Å; H100-Y129 AromaticContact NE2-CE2 3.87Å; H100-Y129 WeakPolarHBondContact O-CE2 3.35Å; H100-Y129 PolarHBondContact O-OH 2.77Å; H100-Y132 AromaticContact CE1-CD1 3.74Å
101	G	94.9	Very high	94.2	Very high	4 Å²	4	21.1 Å²	21.1	4%	0.041	12%	0.117	C	C	.	.			trans	-67.2	-177.7	175.8	0	0	0	0	0	114	V104	G101-V104 WeakPolarHBondContact O-CG2 3.45Å
102	N	92.6	Very high	94.8	Very high	42 Å²	42	18.4 Å²	18.4	23%	0.225	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	166.1	168.9	-158.1	6.4	0	0	0	110.1	A27 M29 V104 Y132 I173	A27-N102 PolarHBondContact O-ND2 2.97Å; M29-N102 PolarHBondContact N-OD1 2.86Å; N102-V104 PolarHBondContact O-N 2.89Å; N102-Y132 PolarHBondContact OD1-OH 2.85Å; N102-I173 HydrophobicContact CB-CG2 3.94Å
103	A	92.8	Very high	95.4	Very high	19 Å²	19	17.8 Å²	17.8	16%	0.157	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	13.7	174.1	0	0	0	0	0	116.9	M29	M29-A103 HydrophobicContact CB-CB 4.44Å; M29-A103 WeakPolarHBondContact O-CA 3.37Å; M29-A103 PolarHBondContact O-N 3.43Å
104	V	94	Very high	95.6	Very high	38 Å²	38	14.1 Å²	14.1	23%	0.23	7%	0.073	C	C	.	.			trans	-126.5	159.3	173.5	-61.1	0	0	0	0	110.1	H100 G101 N102 L108 M109 Y132	H100-V104 HydrophobicContact CB-CG2 3.89Å; H100-V104 PolarHBondContact CE1-O 2.9Å; H100-V104 VanDerWaalsContact CE1-O 3.31Å; G101-V104 WeakPolarHBondContact O-CG2 3.45Å; N102-V104 PolarHBondContact O-N 2.89Å; V104-L108 HydrophobicContact CB-CB 4.26Å; V104-L108 HydrophobicContact CB-CD1 4.45Å; V104-M109 HydrophobicContact CB-SD 4.45Å; V104-M109 HydrophobicContact CG2-CG 4.29Å; V104-M109 HydrophobicContact CG2-SD 3.93Å; V104-Y132 VanDerWaalsContact O-CD1 3.32Å; V104-Y132 WeakPolarHBondContact O-CD1 3.37Å
105	D	96.9	Very high	95.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.			trans	-135.4	179.2	172.1	67.6	4.6	0	0	0	109.8	P31 S33 S34 Y35 G107 L108 M109 D128	P31-D105 HydrophobicContact CG-CB 3.97Å; S33-D105 WeakPolarHBondContact CA-OD2 3.49Å; S34-D105 WeakPolarHBondContact CB-OD1 3.28Å; S34-D105 PolarHBondContact N-OD2 3.15Å; S34-D105 VanDerWaalsContact OG-CG 3.27Å; S34-D105 PolarHBondContact OG-OD1 2.83Å; S34-D105 PolarHBondContact OG-OD2 3.08Å; Y35-D105 HydrophobicContact CE1-CB 4.18Å; D105-G107 VanDerWaalsContact C-N 3.26Å; D105-G107 PolarHBondContact O-N 2.77Å; D105-G107 PolarHBondContact OD1-N 3.27Å; D105-L108 PolarHBondContact O-N 3.31Å; D105-L108 PolarHBondContact OD1-N 3.49Å; D105-M109 WeakPolarHBondContact O-CG 3.38Å; D105-M109 PolarHBondContact O-N 3.1Å; D105-D128 WeakPolarHBondContact CA-OD1 3.5Å; D105-D128 WeakPolarHBondContact CB-OD1 3.45Å
106	L	96.9	Very high	95.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.7	-35.6	-177.1	-69.5	173.6	0	0	0	114.7	Y35 A82 L84 M109 L110 C126 D128	Y35-L106 HydrophobicContact CD1-CB 4.34Å; Y35-L106 HydrophobicContact CE1-CB 3.75Å; Y35-L106 HydrophobicContact CE2-CB 4.44Å; Y35-L106 WeakPolarHBondContact OH-CD1 3.39Å; A82-L106 HydrophobicContact CB-CD1 3.78Å; L84-L106 HydrophobicContact CB-CD2 4.4Å; L84-L106 HydrophobicContact CD1-CB 3.94Å; L84-L106 HydrophobicContact CD1-CD2 4.46Å; L84-L106 HydrophobicContact CG-CB 4.23Å; L84-L106 HydrophobicContact CG-CD1 4Å; L84-L106 HydrophobicContact CG-CD2 4.3Å; L84-L106 HydrophobicContact CG-CG 4.39Å; L106-M109 PolarHBondContact O-N 3.28Å; L106-L110 PolarHBondContact O-N 2.79Å; L106-C126 HydrophobicContact CD2-CB 3.66Å; L106-D128 HydrophobicContact CD1-CB 4.34Å; L106-D128 HydrophobicContact CG-CB 4.31Å; L106-D128 PolarHBondContact N-OD1 3.27Å
107	G	94.9	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-70	-34.9	178.5	0	0	0	0	0	113.1	S34 D105 L110	S34-G107 WeakPolarHBondContact OG-CA 3.32Å; D105-G107 VanDerWaalsContact C-N 3.26Å; D105-G107 PolarHBondContact O-N 2.77Å; D105-G107 PolarHBondContact OD1-N 3.27Å; G107-L110 WeakPolarHBondContact O-CB 3.34Å
108	L	94.3	Very high	94.8	Very high	27 Å²	27	17.1 Å²	17.1	14%	0.141	9%	0.092	C	C	.	.	H	α-helix	trans	-74.5	-27.7	173.4	-65.7	168.3	0	0	0	112.3	P31 S34 L56 V104 D105 L110 L506	P31-L108 HydrophobicContact CB-CD1 4.41Å; P31-L108 HydrophobicContact CG-CD1 4.28Å; S34-L108 PolarHBondContact OG-N 2.95Å; L56-L108 HydrophobicContact CD1-CD2 3.84Å; L56-L108 HydrophobicContact CD1-CG 4.46Å; L56-L108 HydrophobicContact CD2-CD2 4.28Å; V104-L108 HydrophobicContact CB-CB 4.26Å; V104-L108 HydrophobicContact CB-CD1 4.45Å; D105-L108 PolarHBondContact O-N 3.31Å; D105-L108 PolarHBondContact OD1-N 3.49Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L506 HydrophobicContact CD2-CD2 3.67Å
109	M	94.8	Very high	94.6	Very high	13 Å²	13	20.7 Å²	20.7	6%	0.064	11%	0.107	C	C	.	.	H	α-helix	trans	-77.5	-16.9	177.9	-71.9	-60.9	-61.6	0	0	114	L98 H100 V104 D105 L106 H111 F112 M113	L98-M109 HydrophobicContact CD1-CE 4.47Å; H100-M109 HydrophobicContact CB-CE 3.96Å; H100-M109 HydrophobicContact CB-CG 3.76Å; H100-M109 HydrophobicContact CB-SD 3.67Å; V104-M109 HydrophobicContact CB-SD 4.45Å; V104-M109 HydrophobicContact CG2-CG 4.29Å; V104-M109 HydrophobicContact CG2-SD 3.93Å; D105-M109 WeakPolarHBondContact O-CG 3.38Å; D105-M109 PolarHBondContact O-N 3.1Å; L106-M109 PolarHBondContact O-N 3.28Å; M109-H111 PolarHBondContact O-N 2.86Å; M109-F112 HydrophobicContact CE-CD1 3.55Å; M109-F112 HydrophobicContact CE-CE1 4.14Å; M109-F112 HydrophobicContact CE-CG 4.43Å; M109-F112 PolarHBondContact O-N 2.92Å; M109-F112 VanDerWaalsContact O-N 3.17Å; M109-M113 HydrophobicContact CB-CG 4.37Å; M109-M113 HydrophobicContact CB-SD 4.1Å; M109-M113 VanDerWaalsContact O-CG 3.29Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.21Å
110	L	93.3	Very high	94.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.7	-49.8	-169.1	-178.1	72.3	0	0	0	113.7	L52 F60 F63 V64 M68 L84 M86 L106 G107 L108 F112 M113 Y114	L52-L110 HydrophobicContact CD1-CD2 4.06Å; L52-L110 HydrophobicContact CD2-CD2 4.34Å; F60-L110 HydrophobicContact CB-CD2 4.42Å; F63-L110 HydrophobicContact CB-CD2 4.39Å; F63-L110 HydrophobicContact CB-CG 4.27Å; V64-L110 HydrophobicContact CB-CD2 4.43Å; V64-L110 HydrophobicContact CG2-CD1 4.47Å; V64-L110 HydrophobicContact CG2-CD2 3.34Å; V64-L110 HydrophobicContact CG2-CG 4.46Å; M68-L110 HydrophobicContact CE-CD1 4.5Å; M68-L110 HydrophobicContact SD-CD1 3.6Å; L84-L110 HydrophobicContact CD1-CD1 4.46Å; M86-L110 HydrophobicContact CE-CD1 3.79Å; L106-L110 PolarHBondContact O-N 2.79Å; G107-L110 WeakPolarHBondContact O-CB 3.34Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 3.24Å; L110-M113 WeakPolarHBondContact O-CB 3.42Å; L110-M113 PolarHBondContact O-N 2.95Å; L110-Y114 PolarHBondContact O-N 3.01Å
111	H	91.1	Very high	94.3	Very high	17 Å²	17	25.1 Å²	25.1	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-46.6	179.7	175.5	62.4	0	0	0	111.6	F60 F63 M109 M113 Y114 E115 S502	F60-H111 HydrophobicContact CD2-CB 4.21Å; F60-H111 HydrophobicContact CE1-CB 4.43Å; F60-H111 HydrophobicContact CE2-CB 3.91Å; F60-H111 HydrophobicContact CZ-CB 4.04Å; F63-H111 AromaticContact CD1-ND1 3.47Å; F63-H111 WeakPolarHBondContact CD1-ND1 3.49Å; F63-H111 HydrophobicContact CD2-CB 3.94Å; F63-H111 AromaticContact CD2-CG 3.94Å; F63-H111 AromaticContact CD2-ND1 3.29Å; F63-H111 VanDerWaalsContact CD2-ND1 3.29Å; F63-H111 WeakPolarHBondContact CD2-ND1 3.5Å; F63-H111 AromaticContact CE1-CE1 3.54Å; F63-H111 AromaticContact CE1-ND1 3.18Å; F63-H111 WeakPolarHBondContact CE1-ND1 3.35Å; F63-H111 HydrophobicContact CE2-CB 4.38Å; F63-H111 AromaticContact CE2-CE1 3.7Å; F63-H111 AromaticContact CE2-CG 3.93Å; F63-H111 AromaticContact CE2-ND1 3.05Å; F63-H111 WeakPolarHBondContact CE2-ND1 3.29Å; F63-H111 HydrophobicContact CG-CB 4.26Å; F63-H111 AromaticContact CG-ND1 3.53Å; F63-H111 AromaticContact CZ-CE1 3.27Å; F63-H111 WeakPolarHBondContact CZ-CE1 3.28Å; F63-H111 AromaticContact CZ-ND1 3Å; F63-H111 WeakPolarHBondContact CZ-ND1 3.19Å; M109-H111 PolarHBondContact O-N 2.86Å; H111-M113 VanDerWaalsContact C-N 3.34Å; H111-M113 PolarHBondContact O-N 2.99Å; H111-Y114 PolarHBondContact O-N 2.73Å; H111-E115 IonicContact CE1-OE1 3.67Å; H111-E115 WeakPolarHBondContact O-CB 3.38Å; H111-E115 WeakPolarHBondContact O-CG 3.44Å; H111-E115 PolarHBondContact O-N 3.19Å; H111-S502 PolarHBondContact CD2-OG 2.89Å; H111-S502 VanDerWaalsContact CD2-OG 3.26Å; H111-S502 PolarHBondContact NE2-OG 3.07Å
112	F	93.5	Very high	94.3	Very high	27 Å²	27	25 Å²	25	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-42.4	177.1	175	-102.9	0	0	0	112.1	L98 M109 L110 L116 Y169 E272	L98-F112 HydrophobicContact CD1-CD1 4.2Å; L98-F112 HydrophobicContact CD1-CE1 3.99Å; M109-F112 HydrophobicContact CE-CD1 3.55Å; M109-F112 HydrophobicContact CE-CE1 4.14Å; M109-F112 HydrophobicContact CE-CG 4.43Å; M109-F112 PolarHBondContact O-N 2.92Å; M109-F112 VanDerWaalsContact O-N 3.17Å; L110-F112 PolarHBondContact O-N 3.24Å; F112-L116 HydrophobicContact CE1-CD2 3.9Å; F112-L116 HydrophobicContact CZ-CD2 3.81Å; F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.19Å; F112-Y169 HydrophobicContact CE1-CE1 4.46Å; F112-Y169 HydrophobicContact CZ-CE1 4.5Å; F112-E272 HydrophobicContact CD2-CG 4.18Å; F112-E272 HydrophobicContact CE2-CG 3.64Å
113	M	95.2	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-49.2	176.5	-68.6	170.4	62.4	0	0	111.3	L84 M86 L98 M109 L110 H111 G117 I124 C126	L84-M113 HydrophobicContact CB-CE 3.92Å; M86-M113 HydrophobicContact CB-CE 4.48Å; M86-M113 HydrophobicContact CE-CB 4.12Å; M86-M113 HydrophobicContact SD-CB 4.41Å; L98-M113 HydrophobicContact CD1-CG 3.92Å; M109-M113 HydrophobicContact CB-CG 4.37Å; M109-M113 HydrophobicContact CB-SD 4.1Å; M109-M113 VanDerWaalsContact O-CG 3.29Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.21Å; L110-M113 WeakPolarHBondContact O-CB 3.42Å; L110-M113 PolarHBondContact O-N 2.95Å; H111-M113 VanDerWaalsContact C-N 3.34Å; H111-M113 PolarHBondContact O-N 2.99Å; M113-G117 PolarHBondContact O-N 3.05Å; M113-I124 HydrophobicContact CB-CG2 3.99Å; M113-I124 HydrophobicContact CE-CB 4.49Å; M113-I124 HydrophobicContact CE-CG2 3.89Å; M113-I124 HydrophobicContact CG-CG2 3.86Å; M113-C126 HydrophobicContact CE-CB 3.59Å; M113-C126 HydrophobicContact CG-CB 4.28Å; M113-C126 HydrophobicContact SD-CB 3.42Å; M113-C126 WeakPolarHBondContact SD-CB 3.35Å
114	Y	94	Very high	94.8	Very high	75 Å²	75	22.5 Å²	22.5	29%	0.294	11%	0.113	S	C	.	.	H	α-helix	trans	-62	-49.9	-179.7	179.9	-89.3	0	0	0	112.1	F63 P65 M86 L110 H111 G117 S118	F63-Y114 HydrophobicContact CB-CG 4.19Å; F63-Y114 AromaticContact CD1-CD1 3.48Å; F63-Y114 HydrophobicContact CD1-CD1 3.48Å; F63-Y114 VanDerWaalsContact CD1-CD1 3.48Å; F63-Y114 HydrophobicContact CD1-CE1 4Å; F63-Y114 AromaticContact CD1-CG 3.95Å; F63-Y114 HydrophobicContact CD1-CG 3.95Å; F63-Y114 HydrophobicContact CE1-CD1 4.19Å; F63-Y114 HydrophobicContact CE1-CE1 4.48Å; F63-Y114 HydrophobicContact CG-CD1 4.47Å; P65-Y114 HydrophobicContact CB-CE2 4.49Å; P65-Y114 HydrophobicContact CG-CD2 4.35Å; M86-Y114 VanDerWaalsContact SD-CA 3.6Å; M86-Y114 HydrophobicContact SD-CD2 4.23Å; L110-Y114 PolarHBondContact O-N 3.01Å; H111-Y114 PolarHBondContact O-N 2.73Å; Y114-G117 PolarHBondContact O-N 2.94Å; Y114-S118 WeakPolarHBondContact O-CB 3.35Å; Y114-S118 PolarHBondContact O-N 2.88Å; Y114-S118 PolarHBondContact O-OG 2.89Å
115	E	92.9	Very high	95	Very high	39 Å²	39	20.7 Å²	20.7	18%	0.182	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-47.7	-179.2	-76.7	-64	137.8	0	0	111.7	H111 K119	H111-E115 IonicContact CE1-OE1 3.67Å; H111-E115 WeakPolarHBondContact O-CB 3.38Å; H111-E115 WeakPolarHBondContact O-CG 3.44Å; H111-E115 PolarHBondContact O-N 3.19Å; E115-K119 VanDerWaalsContact O-CB 3.24Å; E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 2.71Å; E115-K119 WeakPolarHBondContact OE2-CE 3.48Å; E115-K119 IonicContact OE2-NZ 3.49Å; E115-K119 PolarHBondContact OE2-NZ 3.2Å
116	L	94.8	Very high	95.1	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-48.1	180	-176.3	67.2	0	0	0	111.2	F96 L98 F112 L120 I124 L281	F96-L116 HydrophobicContact CD1-CD2 4.47Å; L98-L116 HydrophobicContact CD2-CD2 4.32Å; F112-L116 HydrophobicContact CE1-CD2 3.9Å; F112-L116 HydrophobicContact CZ-CD2 3.81Å; F112-L116 WeakPolarHBondContact O-CB 3.48Å; F112-L116 PolarHBondContact O-N 3.19Å; L116-L120 HydrophobicContact CD1-CD1 3.48Å; L116-L120 VanDerWaalsContact CD1-CD1 3.48Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.06Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.06Å; L116-I124 HydrophobicContact CD2-CD1 4.26Å; L116-I124 HydrophobicContact CG-CD1 4.4Å; L116-L281 HydrophobicContact CD1-CD1 3.83Å
117	G	95.4	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-45.5	179.9	0	0	0	0	0	112.3	M113 Y114 N121 V122	M113-G117 PolarHBondContact O-N 3.05Å; Y114-G117 PolarHBondContact O-N 2.94Å; G117-N121 VanDerWaalsContact O-CA 3.3Å; G117-N121 WeakPolarHBondContact O-CA 3.47Å; G117-N121 PolarHBondContact O-N 3.2Å; G117-V122 WeakPolarHBondContact CA-O 3.24Å; G117-V122 PolarHBondContact O-N 3.03Å
118	S	93.4	Very high	95.4	Very high	48 Å²	48	20.7 Å²	20.7	34%	0.336	10%	0.102	S	C	.	.	H	α-helix	trans	-66.9	-48.3	179.9	-58.1	0	0	0	0	112	Y114 L120 N121	Y114-S118 WeakPolarHBondContact O-CB 3.35Å; Y114-S118 PolarHBondContact O-N 2.88Å; Y114-S118 PolarHBondContact O-OG 2.89Å; S118-L120 VanDerWaalsContact C-N 3.35Å; S118-L120 PolarHBondContact O-N 3.41Å; S118-N121 PolarHBondContact O-N 3.44Å
119	K	94.1	Very high	95.6	Very high	75 Å²	75	19.5 Å²	19.5	33%	0.326	10%	0.096	S	C	.	.	H	α-helix	trans	-68.7	-30.3	-177.9	-74.3	166.7	162.1	155.8	0	113.5	E115 L278	E115-K119 VanDerWaalsContact O-CB 3.24Å; E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 2.71Å; E115-K119 WeakPolarHBondContact OE2-CE 3.48Å; E115-K119 IonicContact OE2-NZ 3.49Å; E115-K119 PolarHBondContact OE2-NZ 3.2Å; K119-L278 HydrophobicContact CB-CD1 3.89Å; K119-L278 HydrophobicContact CB-CD2 4.21Å; K119-L278 HydrophobicContact CD-CD1 4.46Å; K119-L278 HydrophobicContact CD-CD2 3.91Å; K119-L278 HydrophobicContact CG-CD2 4.36Å
120	L	95.2	Very high	95.7	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-96.2	-9.4	178	-63	-178.9	0	0	0	113.7	F96 L116 S118 V122 L278 L281 T282 V285	F96-L120 HydrophobicContact CE1-CD1 4.44Å; F96-L120 HydrophobicContact CZ-CD1 4.18Å; L116-L120 HydrophobicContact CD1-CD1 3.48Å; L116-L120 VanDerWaalsContact CD1-CD1 3.48Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.06Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 WeakPolarHBondContact O-CG 3.36Å; L116-L120 PolarHBondContact O-N 3.06Å; S118-L120 VanDerWaalsContact C-N 3.35Å; S118-L120 PolarHBondContact O-N 3.41Å; L120-V122 HydrophobicContact CB-CG1 4.1Å; L120-V122 HydrophobicContact CB-CG2 3.92Å; L120-L278 HydrophobicContact CD2-CD1 3.83Å; L120-L278 HydrophobicContact CG-CD1 4.26Å; L120-L281 HydrophobicContact CD1-CB 3.89Å; L120-L281 HydrophobicContact CD1-CD1 4.39Å; L120-L281 HydrophobicContact CD2-CB 4.06Å; L120-T282 WeakPolarHBondContact CD2-OG1 3.42Å; L120-V285 HydrophobicContact CD1-CG2 4.39Å
121	N	94.8	Very high	95.9	Very high	86 Å²	86	20 Å²	20	46%	0.46	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	55.9	-174	-168.1	74.3	0	0	0	112	N89 S92 G117 S118	N89-N121 PolarHBondContact ND2-OD1 3.17Å; S92-N121 PolarHBondContact OG-O 3.03Å; G117-N121 VanDerWaalsContact O-CA 3.3Å; G117-N121 WeakPolarHBondContact O-CA 3.47Å; G117-N121 PolarHBondContact O-N 3.2Å; S118-N121 PolarHBondContact O-N 3.44Å
122	V	96.5	Very high	96.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.101	C	C	.	.			trans	-138.4	150.9	-177.2	-58.6	0	0	0	0	111.2	I88 L94 F96 G117 L120 I124 V285	I88-V122 WeakPolarHBondContact CG1-O 3.36Å; L94-V122 HydrophobicContact CB-CG1 4.11Å; L94-V122 HydrophobicContact CD2-CG1 4.01Å; L94-V122 HydrophobicContact CG-CG1 4.46Å; F96-V122 HydrophobicContact CD2-CB 3.99Å; F96-V122 HydrophobicContact CD2-CG1 4.32Å; F96-V122 HydrophobicContact CD2-CG2 3.64Å; F96-V122 HydrophobicContact CE2-CB 4.11Å; F96-V122 HydrophobicContact CE2-CG1 3.93Å; F96-V122 HydrophobicContact CE2-CG2 3.85Å; F96-V122 HydrophobicContact CG-CG2 4.36Å; G117-V122 WeakPolarHBondContact CA-O 3.24Å; G117-V122 PolarHBondContact O-N 3.03Å; L120-V122 HydrophobicContact CB-CG1 4.1Å; L120-V122 HydrophobicContact CB-CG2 3.92Å; V122-I124 HydrophobicContact CG2-CD1 3.82Å; V122-V285 HydrophobicContact CG1-CG1 4.01Å; V122-V285 HydrophobicContact CG1-CG2 4.38Å
123	N	97.5	Very high	96.3	Very high	9 Å²	9	19 Å²	19	5%	0.048	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	150.5	172.8	-54.4	-41.6	0	0	0	110.3	Y85 M86 P87 I88 S92 L94 T95 F96	Y85-N123 HydrophobicContact CE2-CB 4.22Å; M86-N123 WeakPolarHBondContact O-CA 3.33Å; P87-N123 WeakPolarHBondContact CA-OD1 3.44Å; I88-N123 PolarHBondContact N-OD1 3.35Å; S92-N123 PolarHBondContact O-ND2 2.77Å; L94-N123 PolarHBondContact O-N 3.32Å; T95-N123 CarbonylContact C-O 3.49Å; T95-N123 VanDerWaalsContact CA-O 3.3Å; T95-N123 WeakPolarHBondContact CA-O 3.43Å; T95-N123 HydrophobicContact CG2-CB 4.04Å; F96-N123 PolarHBondContact N-O 3.19Å
124	I	98	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.7	179.2	-52.2	-64	0	0	0	109.9	M86 F96 L98 M113 L116 V122	M86-I124 HydrophobicContact CB-CB 4.41Å; M86-I124 PolarHBondContact N-O 2.82Å; M86-I124 PolarHBondContact O-N 2.78Å; F96-I124 HydrophobicContact CB-CD1 3.79Å; F96-I124 HydrophobicContact CG-CD1 4.29Å; L98-I124 HydrophobicContact CD1-CG2 3.45Å; L98-I124 VanDerWaalsContact CD1-CG2 3.45Å; L98-I124 HydrophobicContact CG-CG2 3.7Å; M113-I124 HydrophobicContact CB-CG2 3.99Å; M113-I124 HydrophobicContact CE-CB 4.49Å; M113-I124 HydrophobicContact CE-CG2 3.89Å; M113-I124 HydrophobicContact CG-CG2 3.86Å; L116-I124 HydrophobicContact CD2-CD1 4.26Å; L116-I124 HydrophobicContact CG-CD1 4.4Å; V122-I124 HydrophobicContact CG2-CD1 3.82Å
125	M	98.5	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.1	160.9	-173.3	175.1	-76.8	0	0	109.4	I83 L84 Y85 F96 L97 L98 V154 L155 Y159	I83-M125 HydrophobicContact CG2-CE 4.1Å; I83-M125 HydrophobicContact CG2-CG 3.66Å; I83-M125 HydrophobicContact CG2-SD 3.67Å; L84-M125 WeakPolarHBondContact O-CA 3.32Å; Y85-M125 HydrophobicContact CD2-CB 4.02Å; Y85-M125 HydrophobicContact CD2-CE 3.79Å; Y85-M125 HydrophobicContact CG-CE 4.21Å; F96-M125 PolarHBondContact O-N 2.96Å; L97-M125 CarbonylContact C-O 3.51Å; L97-M125 WeakPolarHBondContact CA-O 3.4Å; L97-M125 HydrophobicContact CD1-CB 4.03Å; L97-M125 HydrophobicContact CD1-CG 3.99Å; L97-M125 HydrophobicContact CD1-SD 4.1Å; L98-M125 PolarHBondContact N-O 3.06Å; M125-V154 HydrophobicContact CE-CG1 3.92Å; M125-L155 HydrophobicContact CB-CD1 4.33Å; M125-L155 HydrophobicContact CB-CD2 4.06Å; M125-L155 HydrophobicContact CB-CG 4.36Å; M125-L155 HydrophobicContact CE-CD2 3.36Å; M125-L155 HydrophobicContact CE-CG 3.6Å; M125-L155 HydrophobicContact SD-CD1 4.17Å; M125-L155 HydrophobicContact SD-CD2 3.89Å; M125-L155 HydrophobicContact SD-CG 3.54Å; M125-L155 VanDerWaalsContact SD-CG 3.54Å; M125-Y159 HydrophobicContact CE-CD2 3.62Å; M125-Y159 HydrophobicContact CE-CE2 3.49Å; M125-Y159 VanDerWaalsContact CE-CE2 3.49Å
126	C	98.6	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.2	170.4	-165.6	0	0	0	0	108.9	I83 L84 L98 L106 M113	I83-C126 WeakPolarHBondContact CA-O 3.47Å; L84-C126 PolarHBondContact N-O 3Å; L84-C126 PolarHBondContact O-N 2.72Å; L98-C126 HydrophobicContact CB-CB 4.16Å; L106-C126 HydrophobicContact CD2-CB 3.66Å; M113-C126 HydrophobicContact CE-CB 3.59Å; M113-C126 HydrophobicContact CG-CB 4.28Å; M113-C126 HydrophobicContact SD-CB 3.42Å; M113-C126 WeakPolarHBondContact SD-CB 3.35Å
127	Y	98.8	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.6	-179.3	63.6	-78.6	0	0	0	110.5	I81 A82 L97 L98 S99 H100 Y129 D147 A148 A151	I81-Y127 HydrophobicContact CD1-CD2 4.22Å; A82-Y127 VanDerWaalsContact O-CA 3.29Å; A82-Y127 WeakPolarHBondContact O-CA 3.34Å; L97-Y127 HydrophobicContact CD1-CD1 3.87Å; L97-Y127 HydrophobicContact CD1-CE1 3.98Å; L97-Y127 HydrophobicContact CG-CE1 4.35Å; L98-Y127 WeakPolarHBondContact O-CE1 3.45Å; S99-Y127 PolarHBondContact OG-OH 3.17Å; H100-Y127 PolarHBondContact CD2-O 2.78Å; H100-Y127 PolarHBondContact NE2-O 2.85Å; Y127-Y129 HydrophobicContact CD2-CD1 4.33Å; Y127-Y129 AromaticContact CE2-CD1 3.8Å; Y127-Y129 HydrophobicContact CE2-CD1 3.8Å; Y127-Y129 AromaticContact CE2-CE1 3.77Å; Y127-Y129 HydrophobicContact CE2-CE1 3.77Å; Y127-D147 HydrophobicContact CD2-CB 4.27Å; Y127-D147 HydrophobicContact CE2-CB 4.02Å; Y127-A148 HydrophobicContact CE2-CB 4.28Å; Y127-A148 WeakPolarHBondContact OH-CB 3.44Å; Y127-A151 HydrophobicContact CD1-CB 3.5Å; Y127-A151 HydrophobicContact CD2-CB 4.2Å; Y127-A151 HydrophobicContact CE1-CB 4Å; Y127-A151 HydrophobicContact CG-CB 3.64Å
128	D	98.6	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-85.1	136.3	173.5	-88.8	-19.7	0	0	0	110.7	Y35 A82 H100 D105 L106 G133 S135	Y35-D128 WeakPolarHBondContact CE1-OD2 3.3Å; Y35-D128 PolarHBondContact OH-OD2 2.91Å; A82-D128 HydrophobicContact CB-CB 4.42Å; A82-D128 PolarHBondContact O-N 2.81Å; H100-D128 IonicContact CD2-OD1 2.75Å; H100-D128 IonicContact NE2-OD1 3.71Å; H100-D128 PolarHBondContact NE2-OD1 2.91Å; D105-D128 WeakPolarHBondContact CA-OD1 3.5Å; D105-D128 WeakPolarHBondContact CB-OD1 3.45Å; L106-D128 HydrophobicContact CD1-CB 4.34Å; L106-D128 HydrophobicContact CG-CB 4.31Å; L106-D128 PolarHBondContact N-OD1 3.27Å; D128-G133 WeakPolarHBondContact OD2-CA 3.05Å; D128-S135 WeakPolarHBondContact CB-OG 3.46Å; D128-S135 PolarHBondContact O-OG 2.79Å
129	Y	98.1	Very high	96.7	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-62.2	155.7	172.2	-50.7	-39	0	0	0	112.3	S99 H100 Y127 G131 Y132 S135 L144 I173 G174 P177	S99-Y129 WeakPolarHBondContact CB-OH 3.34Å; H100-Y129 AromaticContact CE1-CD2 3.46Å; H100-Y129 VanDerWaalsContact CE1-CD2 3.46Å; H100-Y129 WeakPolarHBondContact CE1-CD2 3.32Å; H100-Y129 AromaticContact CE1-CE2 3.39Å; H100-Y129 WeakPolarHBondContact CE1-CE2 3.44Å; H100-Y129 PolarHBondContact N-OH 3.3Å; H100-Y129 VanDerWaalsContact N-OH 3.11Å; H100-Y129 AromaticContact ND1-CE2 3.61Å; H100-Y129 AromaticContact NE2-CD2 3.85Å; H100-Y129 AromaticContact NE2-CE2 3.87Å; H100-Y129 WeakPolarHBondContact O-CE2 3.35Å; H100-Y129 PolarHBondContact O-OH 2.77Å; Y127-Y129 HydrophobicContact CD2-CD1 4.33Å; Y127-Y129 AromaticContact CE2-CD1 3.8Å; Y127-Y129 HydrophobicContact CE2-CD1 3.8Å; Y127-Y129 AromaticContact CE2-CE1 3.77Å; Y127-Y129 HydrophobicContact CE2-CE1 3.77Å; Y129-G131 PolarHBondContact O-N 2.88Å; Y129-G131 VanDerWaalsContact O-N 3.11Å; Y129-Y132 HydrophobicContact CD2-CD1 4.49Å; Y129-Y132 HydrophobicContact CD2-CD2 4.38Å; Y129-Y132 HydrophobicContact CD2-CE1 4.4Å; Y129-Y132 HydrophobicContact CD2-CE2 4.3Å; Y129-Y132 HydrophobicContact CD2-CG 4.5Å; Y129-Y132 WeakPolarHBondContact O-CB 3.4Å; Y129-Y132 PolarHBondContact O-N 3.15Å; Y129-S135 WeakPolarHBondContact O-CB 3.46Å; Y129-L144 HydrophobicContact CD1-CD1 3.16Å; Y129-L144 HydrophobicContact CD2-CD1 3.75Å; Y129-L144 HydrophobicContact CE1-CD1 3.39Å; Y129-L144 HydrophobicContact CE2-CD1 3.96Å; Y129-L144 HydrophobicContact CG-CD1 3.34Å; Y129-I173 HydrophobicContact CE2-CG2 4.27Å; Y129-G174 WeakPolarHBondContact OH-CA 3.5Å; Y129-P177 HydrophobicContact CE1-CG 4.35Å
130	S	97.7	Very high	96.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	120.9	172.8	-74	0	0	0	0	111.1	N79 S136 K138 P139 D147	N79-S130 PolarHBondContact ND2-OG 3.11Å; S130-S136 CarbonylContact C-O 3.48Å; S130-S136 VanDerWaalsContact CA-O 3.24Å; S130-S136 WeakPolarHBondContact CA-O 3.43Å; S130-K138 WeakPolarHBondContact CB-O 3.41Å; S130-K138 CarbonylContact O-C 3.5Å; S130-K138 VanDerWaalsContact O-C 3.23Å; S130-P139 WeakPolarHBondContact O-CA 3.34Å; S130-P139 WeakPolarHBondContact O-CB 3.49Å; S130-D147 WeakPolarHBondContact CB-OD2 3.47Å; S130-D147 PolarHBondContact N-OD2 3.19Å; S130-D147 VanDerWaalsContact OG-CG 3.28Å; S130-D147 PolarHBondContact OG-OD1 2.77Å; S130-D147 PolarHBondContact OG-OD2 3.14Å; S130-D147 VanDerWaalsContact OG-OD2 3.06Å
131	G	96.4	Very high	96.5	Very high	25 Å²	25	25.8 Å²	25.8	26%	0.258	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	6.7	-176.4	0	0	0	0	0	116.1	P30 Y129 S136	P30-G131 VanDerWaalsContact CB-O 3.32Å; P30-G131 WeakPolarHBondContact CB-O 3.31Å; Y129-G131 PolarHBondContact O-N 2.88Å; Y129-G131 VanDerWaalsContact O-N 3.11Å; G131-S136 PolarHBondContact N-O 3.27Å
132	Y	97.3	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-103.2	149.3	170.7	-76.4	-119.7	0	0	0	110.5	F28 M29 P30 H100 N102 V104 Y129 A134 S135 P139	F28-Y132 WeakPolarHBondContact CA-OH 3.47Å; F28-Y132 HydrophobicContact CB-CE2 4.25Å; F28-Y132 WeakPolarHBondContact CB-OH 3.41Å; F28-Y132 HydrophobicContact CD1-CE2 4.12Å; M29-Y132 PolarHBondContact N-OH 2.91Å; M29-Y132 VanDerWaalsContact N-OH 3.15Å; P30-Y132 HydrophobicContact CB-CD1 4.03Å; P30-Y132 HydrophobicContact CB-CD2 3.8Å; P30-Y132 HydrophobicContact CB-CE1 4.13Å; P30-Y132 HydrophobicContact CB-CE2 3.88Å; P30-Y132 HydrophobicContact CB-CG 3.86Å; P30-Y132 HydrophobicContact CG-CE2 4.37Å; H100-Y132 AromaticContact CE1-CD1 3.74Å; N102-Y132 PolarHBondContact OD1-OH 2.85Å; V104-Y132 VanDerWaalsContact O-CD1 3.32Å; V104-Y132 WeakPolarHBondContact O-CD1 3.37Å; Y129-Y132 HydrophobicContact CD2-CD1 4.49Å; Y129-Y132 HydrophobicContact CD2-CD2 4.38Å; Y129-Y132 HydrophobicContact CD2-CE1 4.4Å; Y129-Y132 HydrophobicContact CD2-CE2 4.3Å; Y129-Y132 HydrophobicContact CD2-CG 4.5Å; Y129-Y132 WeakPolarHBondContact O-CB 3.4Å; Y129-Y132 PolarHBondContact O-N 3.15Å; Y132-A134 PolarHBondContact O-N 3.21Å; Y132-S135 WeakPolarHBondContact O-CA 3.19Å; Y132-S135 WeakPolarHBondContact O-CB 3.35Å; Y132-S135 PolarHBondContact O-N 2.84Å; Y132-P139 HydrophobicContact CD2-CB 4.3Å; Y132-P139 HydrophobicContact CE2-CB 3.79Å
133	G	96.7	Very high	96.5	Very high	22 Å²	22	29 Å²	29	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	-120.1	176.3	0	0	0	0	0	113.8	D128	D128-G133 WeakPolarHBondContact OD2-CA 3.05Å
134	A	96.6	Very high	96.4	Very high	22 Å²	22	28.7 Å²	28.7	18%	0.182	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.4	178.5	0	0	0	0	0	114.5	Y35 L37 K72 A82 Y132	Y35-A134 HydrophobicContact CE2-CB 3.8Å; Y35-A134 PolarHBondContact OH-N 3.46Å; L37-A134 HydrophobicContact CB-CB 4.39Å; L37-A134 HydrophobicContact CD1-CB 4.26Å; L37-A134 HydrophobicContact CG-CB 4.11Å; K72-A134 PolarHBondContact NZ-O 3.5Å; A82-A134 HydrophobicContact CB-CB 4.16Å; Y132-A134 PolarHBondContact O-N 3.21Å
135	S	98.1	Very high	96.4	Very high	10 Å²	10	29.6 Å²	29.6	7%	0.07	17%	0.171	C	C	.	.			trans	-78.7	138.5	176.9	-66.4	0	0	0	0	111.9	N80 I81 A82 D128 Y129 Y132	N80-S135 WeakPolarHBondContact O-CA 3.45Å; I81-S135 VanDerWaalsContact CA-OG 3.28Å; I81-S135 WeakPolarHBondContact CA-OG 3.25Å; A82-S135 PolarHBondContact N-OG 3.38Å; D128-S135 WeakPolarHBondContact CB-OG 3.46Å; D128-S135 PolarHBondContact O-OG 2.79Å; Y129-S135 WeakPolarHBondContact O-CB 3.46Å; Y132-S135 WeakPolarHBondContact O-CA 3.19Å; Y132-S135 WeakPolarHBondContact O-CB 3.35Å; Y132-S135 PolarHBondContact O-N 2.84Å
136	S	97.7	Very high	96.4	Very high	47 Å²	47	29.7 Å²	29.7	33%	0.329	17%	0.171	S	C	.	.			trans	-81.7	177.6	175.4	65.2	0	0	0	0	112.6	N80 S130 G131	N80-S136 PolarHBondContact N-OG 3.13Å; N80-S136 PolarHBondContact O-N 2.71Å; N80-S136 PolarHBondContact O-OG 3.47Å; S130-S136 CarbonylContact C-O 3.48Å; S130-S136 VanDerWaalsContact CA-O 3.24Å; S130-S136 WeakPolarHBondContact CA-O 3.43Å; G131-S136 PolarHBondContact N-O 3.27Å
137	G	95.9	Very high	96.4	Very high	40 Å²	40	29.7 Å²	29.7	41%	0.412	17%	0.172	S	C	.	.	S	Bend	trans	87.9	-157.2	175.3	0	0	0	0	0	113.5	N79	N79-G137 WeakPolarHBondContact OD1-CA 3.33Å
138	K	94.6	Very high	96.4	Very high	148 Å²	148	29.7 Å²	29.7	64%	0.643	17%	0.172	S	C	*	.			trans	-128.7	145.8	-179.3	-67.3	-178	-178.7	177.2	0	110.1	S130 L140 N143	S130-K138 WeakPolarHBondContact CB-O 3.41Å; S130-K138 CarbonylContact O-C 3.5Å; S130-K138 VanDerWaalsContact O-C 3.23Å; K138-L140 HydrophobicContact CB-CD1 4.44Å; K138-L140 HydrophobicContact CB-CG 4.22Å; K138-L140 PolarHBondContact O-N 3.46Å; K138-N143 PolarHBondContact O-ND2 2.84Å
139	P	92.2	Very high	96.4	Very high	30 Å²	30	31.7 Å²	31.7	20%	0.195	18%	0.181	C	C	.	.			trans	-76.8	99.7	180	33.1	-36.4	0	0	0	109.1	A24 F28 S130 Y132	A24-P139 WeakPolarHBondContact CB-O 3.43Å; F28-P139 HydrophobicContact CB-CB 3.58Å; F28-P139 HydrophobicContact CB-CG 3.83Å; F28-P139 HydrophobicContact CD1-CB 3.95Å; F28-P139 HydrophobicContact CD2-CB 3.88Å; F28-P139 HydrophobicContact CD2-CG 4.47Å; F28-P139 WeakPolarHBondContact CD2-O 3.13Å; F28-P139 WeakPolarHBondContact CE2-O 3.46Å; F28-P139 HydrophobicContact CG-CB 3.57Å; F28-P139 HydrophobicContact CG-CG 4.27Å; S130-P139 WeakPolarHBondContact O-CA 3.34Å; S130-P139 WeakPolarHBondContact O-CB 3.49Å; Y132-P139 HydrophobicContact CD2-CB 4.3Å; Y132-P139 HydrophobicContact CE2-CB 3.79Å
140	L	92.3	Very high	96.5	Very high	54 Å²	54	32.4 Å²	32.4	28%	0.283	19%	0.186	S	C	.	.			trans	-131.9	145	-178.8	-61.6	175.8	0	0	0	107.8	A24 K138 K142 N143 L144	A24-L140 HydrophobicContact CB-CD2 3.79Å; K138-L140 HydrophobicContact CB-CD1 4.44Å; K138-L140 HydrophobicContact CB-CG 4.22Å; K138-L140 PolarHBondContact O-N 3.46Å; L140-K142 PolarHBondContact O-N 2.74Å; L140-N143 HydrophobicContact CB-CB 4.29Å; L140-N143 CarbonylContact O-C 3.52Å; L140-N143 WeakPolarHBondContact O-CA 3.37Å; L140-N143 WeakPolarHBondContact O-CB 3.24Å; L140-N143 PolarHBondContact O-N 2.93Å; L140-L144 PolarHBondContact O-N 3.23Å
141	E	92.6	Very high	96.5	Very high	46 Å²	46	32.4 Å²	32.4	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-52.1	-42	178	-177.6	173	-166.4	0	0	113	N143 L144 Y145 F216	E141-N143 VanDerWaalsContact C-N 3.31Å; E141-N143 PolarHBondContact O-N 2.72Å; E141-L144 WeakPolarHBondContact O-CB 3.41Å; E141-L144 PolarHBondContact O-N 3.22Å; E141-Y145 HydrophobicContact CG-CE2 3.65Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.19Å; E141-Y145 WeakPolarHBondContact O-CD2 3.28Å; E141-Y145 PolarHBondContact O-N 3.31Å; E141-Y145 PolarHBondContact OE1-OH 2.78Å; E141-F216 HydrophobicContact CB-CD1 4.15Å; E141-F216 HydrophobicContact CB-CE1 3.76Å; E141-F216 HydrophobicContact CG-CD1 3.74Å; E141-F216 HydrophobicContact CG-CE1 3.86Å; E141-F216 VanDerWaalsContact OE1-CA 3.28Å; E141-F216 WeakPolarHBondContact OE1-CA 3.45Å; E141-F216 PolarHBondContact OE1-N 3.26Å
142	K	94.1	Very high	96.6	Very high	147 Å²	147	31.4 Å²	31.4	64%	0.639	17%	0.174	S	C	*	.	H	α-helix	trans	-65.9	-32	176.6	-65.4	-174.7	179.7	-176.8	0	113.4	R77 L140 A146	R77-K142 WeakPolarHBondContact CD-O 3.38Å; L140-K142 PolarHBondContact O-N 2.74Å; K142-A146 PolarHBondContact O-N 2.87Å
143	N	96.5	Very high	96.7	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-74.2	-42.5	175.5	-70.5	-11.1	0	0	0	109.6	R77 N79 K138 L140 E141 Y145 A146 D147	R77-N143 VanDerWaalsContact CD-OD1 3.26Å; R77-N143 WeakPolarHBondContact CD-OD1 3.43Å; R77-N143 PolarHBondContact NE-OD1 2.88Å; N79-N143 PolarHBondContact ND2-ND2 2.91Å; K138-N143 PolarHBondContact O-ND2 2.84Å; L140-N143 HydrophobicContact CB-CB 4.29Å; L140-N143 CarbonylContact O-C 3.52Å; L140-N143 WeakPolarHBondContact O-CA 3.37Å; L140-N143 WeakPolarHBondContact O-CB 3.24Å; L140-N143 PolarHBondContact O-N 2.93Å; E141-N143 VanDerWaalsContact C-N 3.31Å; E141-N143 PolarHBondContact O-N 2.72Å; N143-Y145 PolarHBondContact O-N 3.45Å; N143-Y145 VanDerWaalsContact O-N 3.15Å; N143-A146 CarbonylContact O-C 3.6Å; N143-A146 WeakPolarHBondContact O-CA 3.21Å; N143-A146 WeakPolarHBondContact O-CB 3.36Å; N143-A146 PolarHBondContact O-N 2.84Å; N143-D147 PolarHBondContact O-N 3.36Å; N143-D147 VanDerWaalsContact O-OD2 3.14Å
144	L	95.9	Very high	96.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-50.4	-43.1	176.3	-166.7	62.7	0	0	0	112.7	F28 Y129 L140 E141 A148 V176 P177 F216	F28-L144 HydrophobicContact CE1-CD1 4.47Å; F28-L144 HydrophobicContact CE1-CD2 4.05Å; F28-L144 HydrophobicContact CZ-CD2 4.12Å; Y129-L144 HydrophobicContact CD1-CD1 3.16Å; Y129-L144 HydrophobicContact CD2-CD1 3.75Å; Y129-L144 HydrophobicContact CE1-CD1 3.39Å; Y129-L144 HydrophobicContact CE2-CD1 3.96Å; Y129-L144 HydrophobicContact CG-CD1 3.34Å; L140-L144 PolarHBondContact O-N 3.23Å; E141-L144 WeakPolarHBondContact O-CB 3.41Å; E141-L144 PolarHBondContact O-N 3.22Å; L144-A148 WeakPolarHBondContact O-CB 3.45Å; L144-A148 PolarHBondContact O-N 3.04Å; L144-A148 VanDerWaalsContact O-N 3.14Å; L144-V176 HydrophobicContact CD2-CB 4.07Å; L144-V176 HydrophobicContact CD2-CG1 4.14Å; L144-P177 HydrophobicContact CD1-CG 4.08Å; L144-P177 HydrophobicContact CD2-CG 4.26Å; L144-P177 HydrophobicContact CG-CB 4.12Å; L144-P177 HydrophobicContact CG-CG 3.85Å; L144-F216 HydrophobicContact CD2-CE1 4.45Å
145	Y	97.7	Very high	96.8	Very high	19 Å²	19	34 Å²	34	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-43.7	173.2	-56.7	-38.8	0	0	0	113.5	E141 N143 D147 A148 E149 V176 H180 R221	E141-Y145 HydrophobicContact CG-CE2 3.65Å; E141-Y145 VanDerWaalsContact CG-OH 3.28Å; E141-Y145 WeakPolarHBondContact CG-OH 3.19Å; E141-Y145 WeakPolarHBondContact O-CD2 3.28Å; E141-Y145 PolarHBondContact O-N 3.31Å; E141-Y145 PolarHBondContact OE1-OH 2.78Å; N143-Y145 PolarHBondContact O-N 3.45Å; N143-Y145 VanDerWaalsContact O-N 3.15Å; Y145-D147 VanDerWaalsContact C-N 3.29Å; Y145-D147 PolarHBondContact O-N 3.22Å; Y145-A148 PolarHBondContact O-N 3.26Å; Y145-E149 WeakPolarHBondContact O-CB 3.28Å; Y145-E149 VanDerWaalsContact O-CG 3.3Å; Y145-E149 WeakPolarHBondContact O-CG 3.22Å; Y145-E149 PolarHBondContact O-N 2.93Å; Y145-V176 HydrophobicContact CE1-CG1 3.81Å; Y145-H180 HydrophobicContact CD1-CB 3.57Å; Y145-H180 AromaticContact CD1-CD2 3.77Å; Y145-H180 AromaticContact CD1-CG 3.46Å; Y145-H180 VanDerWaalsContact CD1-CG 3.46Å; Y145-H180 AromaticContact CD1-ND1 3.94Å; Y145-H180 HydrophobicContact CE1-CB 3.75Å; Y145-H180 AromaticContact CG-CD2 3.99Å; Y145-H180 AromaticContact CG-CG 3.93Å; Y145-R221 PolarHBondContact OH-NH1 2.94Å; Y145-R221 PolarHBondContact OH-NH2 2.57Å
146	A	98.5	Very high	96.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-33.8	178.7	0	0	0	0	0	112.3	R76 R77 K142 N143 C150	R76-A146 HydrophobicContact CG-CB 3.83Å; R77-A146 HydrophobicContact CB-CB 4.3Å; R77-A146 HydrophobicContact CG-CB 3.71Å; K142-A146 PolarHBondContact O-N 2.87Å; N143-A146 CarbonylContact O-C 3.6Å; N143-A146 WeakPolarHBondContact O-CA 3.21Å; N143-A146 WeakPolarHBondContact O-CB 3.36Å; N143-A146 PolarHBondContact O-N 2.84Å; A146-C150 VanDerWaalsContact O-CB 3.25Å; A146-C150 WeakPolarHBondContact O-CB 3.21Å; A146-C150 PolarHBondContact O-N 2.86Å
147	D	98.7	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-49.3	177	-56.3	-24.7	0	0	0	109.8	T75 I81 Y127 S130 N143 Y145 C150 A151	T75-D147 WeakPolarHBondContact CG2-OD1 3.11Å; I81-D147 HydrophobicContact CD1-CB 4.27Å; I81-D147 WeakPolarHBondContact CD1-O 3.44Å; I81-D147 HydrophobicContact CG2-CB 4.06Å; I81-D147 WeakPolarHBondContact CG2-OD1 3.47Å; Y127-D147 HydrophobicContact CD2-CB 4.27Å; Y127-D147 HydrophobicContact CE2-CB 4.02Å; S130-D147 WeakPolarHBondContact CB-OD2 3.47Å; S130-D147 PolarHBondContact N-OD2 3.19Å; S130-D147 VanDerWaalsContact OG-CG 3.28Å; S130-D147 PolarHBondContact OG-OD1 2.77Å; S130-D147 PolarHBondContact OG-OD2 3.14Å; S130-D147 VanDerWaalsContact OG-OD2 3.06Å; N143-D147 PolarHBondContact O-N 3.36Å; N143-D147 VanDerWaalsContact O-OD2 3.14Å; Y145-D147 VanDerWaalsContact C-N 3.29Å; Y145-D147 PolarHBondContact O-N 3.22Å; D147-C150 WeakPolarHBondContact O-CB 3.38Å; D147-C150 PolarHBondContact O-N 2.85Å; D147-A151 PolarHBondContact O-N 2.81Å
148	A	98.7	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-43.3	178.7	0	0	0	0	0	113.3	Y127 L144 Y145 C150 A151 L152 P177 L181	Y127-A148 HydrophobicContact CE2-CB 4.28Å; Y127-A148 WeakPolarHBondContact OH-CB 3.44Å; L144-A148 WeakPolarHBondContact O-CB 3.45Å; L144-A148 PolarHBondContact O-N 3.04Å; L144-A148 VanDerWaalsContact O-N 3.14Å; Y145-A148 PolarHBondContact O-N 3.26Å; A148-C150 VanDerWaalsContact C-N 3.28Å; A148-C150 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 2.96Å; A148-L152 WeakPolarHBondContact O-CB 3.39Å; A148-L152 PolarHBondContact O-N 3.23Å; A148-P177 HydrophobicContact CB-CB 3.45Å; A148-P177 VanDerWaalsContact CB-CB 3.45Å; A148-L181 HydrophobicContact CB-CD1 3.85Å; A148-L181 HydrophobicContact CB-CD2 4.38Å; A148-L181 HydrophobicContact CB-CG 4.07Å
149	E	98.8	Very high	96.9	Very high	42 Å²	42	39.1 Å²	39.1	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-37.5	174.2	-73.9	175.2	-146.8	0	0	111.4	R76 Y145 N153 H180 L181	R76-E149 VanDerWaalsContact CZ-CD 3.46Å; R76-E149 IonicContact CZ-OE1 3.56Å; R76-E149 VanDerWaalsContact CZ-OE1 3.24Å; R76-E149 IonicContact CZ-OE2 3.18Å; R76-E149 IonicContact NE-OE2 2.98Å; R76-E149 IonicContact NH1-OE1 3.2Å; R76-E149 PolarHBondContact NH1-OE1 3.19Å; R76-E149 IonicContact NH1-OE2 2.7Å; R76-E149 PolarHBondContact NH1-OE2 3.44Å; R76-E149 VanDerWaalsContact NH2-CD 3.31Å; R76-E149 IonicContact NH2-OE1 3.83Å; R76-E149 PolarHBondContact NH2-OE1 3.13Å; R76-E149 IonicContact NH2-OE2 3.97Å; R76-E149 PolarHBondContact NH2-OE2 2.77Å; Y145-E149 WeakPolarHBondContact O-CB 3.28Å; Y145-E149 VanDerWaalsContact O-CG 3.3Å; Y145-E149 WeakPolarHBondContact O-CG 3.22Å; Y145-E149 PolarHBondContact O-N 2.93Å; E149-N153 WeakPolarHBondContact O-CB 3.26Å; E149-N153 PolarHBondContact O-N 2.99Å; E149-H180 IonicContact OE1-CD2 3.07Å; E149-H180 IonicContact OE1-CE1 3.32Å; E149-H180 IonicContact OE1-NE2 3.4Å; E149-H180 PolarHBondContact OE1-NE2 3.29Å; E149-L181 HydrophobicContact CB-CD2 4.41Å; E149-L181 HydrophobicContact CG-CD2 3.75Å
150	C	98.8	Very high	97.1	Very high	15 Å²	15	42.1 Å²	42.1	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-47.9	175.2	-176.2	0	0	0	0	111.5	A73 T75 I81 A146 D147 A148 L152 N153 V154	A73-C150 VanDerWaalsContact CB-SG 3.53Å; T75-C150 HydrophobicContact CG2-CB 3.79Å; I81-C150 HydrophobicContact CD1-CB 3.99Å; A146-C150 VanDerWaalsContact O-CB 3.25Å; A146-C150 WeakPolarHBondContact O-CB 3.21Å; A146-C150 PolarHBondContact O-N 2.86Å; D147-C150 WeakPolarHBondContact O-CB 3.38Å; D147-C150 PolarHBondContact O-N 2.85Å; A148-C150 VanDerWaalsContact C-N 3.28Å; A148-C150 PolarHBondContact O-N 2.81Å; C150-L152 PolarHBondContact O-N 2.97Å; C150-N153 WeakPolarHBondContact O-CB 3.27Å; C150-N153 PolarHBondContact O-N 3.47Å; C150-N153 VanDerWaalsContact O-N 3.15Å; C150-V154 WeakPolarHBondContact O-CG2 3.2Å; C150-V154 PolarHBondContact O-N 2.8Å
151	A	98.8	Very high	97.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-43.4	178	0	0	0	0	0	112.3	I83 L97 Y127 D147 A148 N153 V154 L155	I83-A151 HydrophobicContact CD1-CB 4.4Å; L97-A151 HydrophobicContact CD1-CB 3.95Å; Y127-A151 HydrophobicContact CD1-CB 3.5Å; Y127-A151 HydrophobicContact CD2-CB 4.2Å; Y127-A151 HydrophobicContact CE1-CB 4Å; Y127-A151 HydrophobicContact CG-CB 3.64Å; D147-A151 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 2.96Å; A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.17Å; A151-V154 PolarHBondContact O-N 3Å; A151-L155 PolarHBondContact O-N 2.77Å; A151-L155 VanDerWaalsContact O-N 3.12Å
152	L	98.8	Very high	97.5	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-41.1	173.4	-178.9	63.1	0	0	0	111.7	L97 A148 C150 L155 R156 L163 I166 L181 H185	L97-L152 HydrophobicContact CD2-CB 3.93Å; L97-L152 HydrophobicContact CD2-CD1 4.21Å; A148-L152 WeakPolarHBondContact O-CB 3.39Å; A148-L152 PolarHBondContact O-N 3.23Å; C150-L152 PolarHBondContact O-N 2.97Å; L152-L155 PolarHBondContact O-N 3.33Å; L152-R156 WeakPolarHBondContact O-CG 3.44Å; L152-R156 PolarHBondContact O-N 2.98Å; L152-R156 VanDerWaalsContact O-N 3.15Å; L152-L163 HydrophobicContact CD1-CD2 4.28Å; L152-I166 HydrophobicContact CD1-CD1 3.68Å; L152-I166 HydrophobicContact CD1-CG2 4.27Å; L152-L181 HydrophobicContact CB-CD1 4.28Å; L152-L181 HydrophobicContact CD2-CD1 4.4Å; L152-L181 HydrophobicContact CD2-CD2 4Å; L152-H185 WeakPolarHBondContact CD2-CD2 2.95Å
153	N	98.6	Very high	97.7	Very high	85 Å²	85	35.4 Å²	35.4	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-62.7	-42	176.2	-173.9	71.7	0	0	0	111.7	E149 C150 A151 L155 R156 T157	E149-N153 WeakPolarHBondContact O-CB 3.26Å; E149-N153 PolarHBondContact O-N 2.99Å; C150-N153 WeakPolarHBondContact O-CB 3.27Å; C150-N153 PolarHBondContact O-N 3.47Å; C150-N153 VanDerWaalsContact O-N 3.15Å; A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.17Å; N153-L155 PolarHBondContact O-N 2.79Å; N153-R156 PolarHBondContact O-N 2.85Å; N153-R156 VanDerWaalsContact O-N 3.1Å; N153-T157 PolarHBondContact O-N 2.71Å; N153-T157 PolarHBondContact O-OG1 2.94Å
154	V	98.4	Very high	97.7	Very high	14 Å²	14	38.9 Å²	38.9	9%	0.085	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-45.1	175.8	171.6	0	0	0	0	111.4	M71 A73 I83 M125 C150 A151 R156 T157 K158 Y159	M71-V154 HydrophobicContact CE-CG1 4.24Å; M71-V154 HydrophobicContact SD-CG1 3.69Å; A73-V154 HydrophobicContact CB-CG2 3.77Å; I83-V154 HydrophobicContact CD1-CB 4.26Å; I83-V154 HydrophobicContact CD1-CG1 4.4Å; I83-V154 HydrophobicContact CD1-CG2 3.87Å; M125-V154 HydrophobicContact CE-CG1 3.92Å; C150-V154 WeakPolarHBondContact O-CG2 3.2Å; C150-V154 PolarHBondContact O-N 2.8Å; A151-V154 PolarHBondContact O-N 3Å; V154-R156 VanDerWaalsContact C-N 3.29Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-T157 PolarHBondContact O-N 3.43Å; V154-K158 HydrophobicContact CG1-CB 4.25Å; V154-K158 WeakPolarHBondContact O-CB 3.15Å; V154-K158 PolarHBondContact O-N 3.17Å; V154-Y159 HydrophobicContact CG1-CD2 4.27Å; V154-Y159 HydrophobicContact CG1-CE2 4.05Å; V154-Y159 PolarHBondContact O-N 3.05Å
155	L	97.9	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.6	-45.9	173.4	-80.8	174	0	0	0	112.3	Y85 T95 L97 M125 A151 L152 N153 Y159 S160 V161 I166	Y85-L155 HydrophobicContact CD2-CD2 4.31Å; Y85-L155 HydrophobicContact CE2-CD2 4.03Å; T95-L155 HydrophobicContact CG2-CD1 4.31Å; T95-L155 HydrophobicContact CG2-CD2 3.68Å; L97-L155 HydrophobicContact CB-CD1 3.88Å; L97-L155 HydrophobicContact CD1-CD1 4.13Å; L97-L155 HydrophobicContact CD2-CD1 4.25Å; L97-L155 HydrophobicContact CG-CD1 4.31Å; M125-L155 HydrophobicContact CB-CD1 4.33Å; M125-L155 HydrophobicContact CB-CD2 4.06Å; M125-L155 HydrophobicContact CB-CG 4.36Å; M125-L155 HydrophobicContact CE-CD2 3.36Å; M125-L155 HydrophobicContact CE-CG 3.6Å; M125-L155 HydrophobicContact SD-CD1 4.17Å; M125-L155 HydrophobicContact SD-CD2 3.89Å; M125-L155 HydrophobicContact SD-CG 3.54Å; M125-L155 VanDerWaalsContact SD-CG 3.54Å; A151-L155 PolarHBondContact O-N 2.77Å; A151-L155 VanDerWaalsContact O-N 3.12Å; L152-L155 PolarHBondContact O-N 3.33Å; N153-L155 PolarHBondContact O-N 2.79Å; L155-Y159 HydrophobicContact CD2-CD2 4.42Å; L155-Y159 CarbonylContact O-C 3.48Å; L155-Y159 WeakPolarHBondContact O-CB 3.48Å; L155-Y159 PolarHBondContact O-N 2.63Å; L155-S160 PolarHBondContact O-N 3.18Å; L155-S160 VanDerWaalsContact O-N 3.16Å; L155-V161 HydrophobicContact CB-CB 4.48Å; L155-V161 HydrophobicContact CD2-CG2 4.13Å; L155-V161 PolarHBondContact O-N 2.95Å; L155-I166 HydrophobicContact CB-CD1 4.13Å; L155-I166 HydrophobicContact CD1-CD1 4.12Å; L155-I166 HydrophobicContact CD1-CG1 4.45Å; L155-I166 HydrophobicContact CD1-CG2 4.39Å
156	R	97.8	Very high	97.8	Very high	117 Å²	117	40.5 Å²	40.5	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-73.1	-38.1	-175.1	-68.9	-174.5	68.2	-153.1	-4.7	113.3	L152 N153 V154 S160 I166	L152-R156 WeakPolarHBondContact O-CG 3.44Å; L152-R156 PolarHBondContact O-N 2.98Å; L152-R156 VanDerWaalsContact O-N 3.15Å; N153-R156 PolarHBondContact O-N 2.85Å; N153-R156 VanDerWaalsContact O-N 3.1Å; V154-R156 VanDerWaalsContact C-N 3.29Å; V154-R156 PolarHBondContact O-N 3.14Å; R156-S160 WeakPolarHBondContact O-CA 3.46Å; R156-I166 HydrophobicContact CG-CD1 4.38Å
157	T	97.5	Very high	97.8	Very high	90 Å²	90	40.5 Å²	40.5	55%	0.552	21%	0.212	S	C	*	.	H	α-helix	trans	-97.5	-44.3	-171.8	63.5	0	0	0	0	112.8	N153 V154	N153-T157 PolarHBondContact O-N 2.71Å; N153-T157 PolarHBondContact O-OG1 2.94Å; V154-T157 PolarHBondContact O-N 3.43Å
158	K	96.3	Very high	97.8	Very high	105 Å²	105	40.4 Å²	40.4	46%	0.457	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-45	-179.5	-178.3	-179.8	170.2	-168.3	0	111	E69 M71 V154	E69-K158 IonicContact OE2-NZ 3.6Å; E69-K158 PolarHBondContact OE2-NZ 3.31Å; M71-K158 HydrophobicContact CE-CD 3.96Å; M71-K158 VanDerWaalsContact CE-NZ 3.27Å; M71-K158 HydrophobicContact SD-CD 4.01Å; V154-K158 HydrophobicContact CG1-CB 4.25Å; V154-K158 WeakPolarHBondContact O-CB 3.15Å; V154-K158 PolarHBondContact O-N 3.17Å
159	Y	95.2	Very high	97.8	Very high	40 Å²	40	40.6 Å²	40.6	16%	0.157	21%	0.212	C	C	.	.	S	Bend	trans	-99.1	-2.2	-175.2	-63	-70	0	0	0	114	E69 M71 Y85 M125 V154 L155 V161	E69-Y159 WeakPolarHBondContact OE1-CE1 3.39Å; E69-Y159 PolarHBondContact OE2-OH 3.38Å; M71-Y159 HydrophobicContact CE-CE2 3.67Å; M71-Y159 WeakPolarHBondContact CE-OH 3.44Å; Y85-Y159 AromaticContact CD1-CD1 3.81Å; Y85-Y159 HydrophobicContact CD1-CD1 3.81Å; Y85-Y159 HydrophobicContact CD1-CD2 4.43Å; Y85-Y159 AromaticContact CD1-CE1 3.27Å; Y85-Y159 HydrophobicContact CD1-CE1 3.27Å; Y85-Y159 AromaticContact CD1-CE2 3.94Å; Y85-Y159 HydrophobicContact CD1-CE2 3.94Å; Y85-Y159 HydrophobicContact CD1-CG 4.35Å; Y85-Y159 AromaticContact CD1-CZ 3.32Å; Y85-Y159 HydrophobicContact CD2-CD2 4.48Å; Y85-Y159 HydrophobicContact CD2-CE2 4.29Å; Y85-Y159 AromaticContact CE1-CD1 3.56Å; Y85-Y159 HydrophobicContact CE1-CD1 3.56Å; Y85-Y159 AromaticContact CE1-CE1 3.5Å; Y85-Y159 HydrophobicContact CE1-CE1 3.5Å; Y85-Y159 HydrophobicContact CE1-CG 4.12Å; Y85-Y159 AromaticContact CE1-CZ 3.99Å; Y85-Y159 HydrophobicContact CG-CD2 4.35Å; Y85-Y159 HydrophobicContact CG-CE1 4.01Å; Y85-Y159 AromaticContact CG-CE2 3.8Å; Y85-Y159 HydrophobicContact CG-CE2 3.8Å; Y85-Y159 AromaticContact CG-CZ 3.6Å; M125-Y159 HydrophobicContact CE-CD2 3.62Å; M125-Y159 HydrophobicContact CE-CE2 3.49Å; M125-Y159 VanDerWaalsContact CE-CE2 3.49Å; V154-Y159 HydrophobicContact CG1-CD2 4.27Å; V154-Y159 HydrophobicContact CG1-CE2 4.05Å; V154-Y159 PolarHBondContact O-N 3.05Å; L155-Y159 HydrophobicContact CD2-CD2 4.42Å; L155-Y159 CarbonylContact O-C 3.48Å; L155-Y159 WeakPolarHBondContact O-CB 3.48Å; L155-Y159 PolarHBondContact O-N 2.63Å; Y159-V161 PolarHBondContact O-N 2.91Å; Y159-V161 VanDerWaalsContact O-N 3.09Å
160	S	96.6	Very high	97.8	Very high	94 Å²	94	38.6 Å²	38.6	66%	0.657	20%	0.203	S	C	*	.			trans	53.5	28.8	179.7	-57.1	0	0	0	0	114.1	L155 R156 P162	L155-S160 PolarHBondContact O-N 3.18Å; L155-S160 VanDerWaalsContact O-N 3.16Å; R156-S160 WeakPolarHBondContact O-CA 3.46Å; S160-P162 WeakPolarHBondContact O-CD 3.29Å
161	V	97	Very high	97.7	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	20%	0.203	C	C	.	.			trans	-77.3	118.6	-179.4	-171.7	0	0	0	0	109.1	L155 Y159 Q165 I166	L155-V161 HydrophobicContact CB-CB 4.48Å; L155-V161 HydrophobicContact CD2-CG2 4.13Å; L155-V161 PolarHBondContact O-N 2.95Å; Y159-V161 PolarHBondContact O-N 2.91Å; Y159-V161 VanDerWaalsContact O-N 3.09Å; V161-Q165 HydrophobicContact CG1-CB 4.12Å; V161-I166 HydrophobicContact CB-CD1 4.35Å; V161-I166 HydrophobicContact CB-CG1 4.31Å; V161-I166 HydrophobicContact CG1-CD1 4.16Å; V161-I166 HydrophobicContact CG1-CG1 3.59Å
162	P	97	Very high	97.6	Very high	52 Å²	52	39.6 Å²	39.6	34%	0.338	21%	0.208	S	C	.	.			trans	-72.1	151	178.9	31.3	-35.3	0	0	0	110.9	S160 N164 Q165	S160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-N164 WeakPolarHBondContact CB-OD1 3.29Å; P162-N164 WeakPolarHBondContact CG-OD1 3.21Å; P162-N164 PolarHBondContact O-N 3.05Å; P162-N164 VanDerWaalsContact O-N 3.15Å; P162-Q165 HydrophobicContact CG-CB 3.95Å; P162-Q165 VanDerWaalsContact CG-CD 3.47Å; P162-Q165 HydrophobicContact CG-CG 3.78Å; P162-Q165 PolarHBondContact O-N 2.83Å
163	L	97.8	Very high	97.5	Very high	41 Å²	41	39.9 Å²	39.9	22%	0.215	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57	-35.1	-175.7	-72.3	171.7	0	0	0	113.2	L152 Q165 I166 H185 R186 V187 A188	L152-L163 HydrophobicContact CD1-CD2 4.28Å; L163-Q165 PolarHBondContact O-N 3.24Å; L163-I166 HydrophobicContact CD2-CD1 4.49Å; L163-I166 PolarHBondContact O-N 3.37Å; L163-I166 VanDerWaalsContact O-N 3.12Å; L163-H185 HydrophobicContact CD1-CB 4.43Å; L163-H185 HydrophobicContact CD2-CB 4.16Å; L163-R186 WeakPolarHBondContact CB-O 3.46Å; L163-V187 HydrophobicContact CD2-CG1 4.17Å; L163-V187 CarbonylContact O-C 3.55Å; L163-V187 VanDerWaalsContact O-CA 3.28Å; L163-V187 WeakPolarHBondContact O-CA 3.49Å; L163-A188 PolarHBondContact O-N 3.2Å
164	N	96.4	Very high	97.4	Very high	82 Å²	82	35.8 Å²	35.8	44%	0.439	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-72.2	-0.1	177.3	68.9	-14	0	0	0	114.1	P162 A188 L293	P162-N164 WeakPolarHBondContact CB-OD1 3.29Å; P162-N164 WeakPolarHBondContact CG-OD1 3.21Å; P162-N164 PolarHBondContact O-N 3.05Å; P162-N164 VanDerWaalsContact O-N 3.15Å; N164-A188 WeakPolarHBondContact O-CB 3.43Å; N164-L293 HydrophobicContact CB-CD2 4.19Å
165	Q	97	Very high	97.4	Very high	56 Å²	56	35.1 Å²	35.1	26%	0.262	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-117.1	9.7	172.1	-68.2	178.3	1.5	0	0	112.2	K93 T95 V161 P162 L163	K93-Q165 PolarHBondContact O-OE1 3.01Å; T95-Q165 PolarHBondContact N-O 2.89Å; V161-Q165 HydrophobicContact CG1-CB 4.12Å; P162-Q165 HydrophobicContact CG-CB 3.95Å; P162-Q165 VanDerWaalsContact CG-CD 3.47Å; P162-Q165 HydrophobicContact CG-CG 3.78Å; P162-Q165 PolarHBondContact O-N 2.83Å; L163-Q165 PolarHBondContact O-N 3.24Å
166	I	98.4	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128	176.7	-62	175.6	0	0	0	109.2	T95 L97 L152 L155 R156 V161 L163 L168 V187 A188	T95-I166 CarbonylContact O-C 3.23Å; T95-I166 WeakPolarHBondContact O-CA 3.18Å; L97-I166 HydrophobicContact CB-CG2 4.32Å; L152-I166 HydrophobicContact CD1-CD1 3.68Å; L152-I166 HydrophobicContact CD1-CG2 4.27Å; L155-I166 HydrophobicContact CB-CD1 4.13Å; L155-I166 HydrophobicContact CD1-CD1 4.12Å; L155-I166 HydrophobicContact CD1-CG1 4.45Å; L155-I166 HydrophobicContact CD1-CG2 4.39Å; R156-I166 HydrophobicContact CG-CD1 4.38Å; V161-I166 HydrophobicContact CB-CD1 4.35Å; V161-I166 HydrophobicContact CB-CG1 4.31Å; V161-I166 HydrophobicContact CG1-CD1 4.16Å; V161-I166 HydrophobicContact CG1-CG1 3.59Å; L163-I166 HydrophobicContact CD2-CD1 4.49Å; L163-I166 PolarHBondContact O-N 3.37Å; L163-I166 VanDerWaalsContact O-N 3.12Å; I166-L168 HydrophobicContact CG2-CD2 4.05Å; I166-V187 WeakPolarHBondContact O-CB 3.5Å; I166-A188 WeakPolarHBondContact O-CB 3.36Å; I166-A188 PolarHBondContact O-N 3.02Å
167	V	98.7	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	118.7	165.1	179.6	0	0	0	0	107.8	L94 T95 F96 L97 A188 A189 V191 L289	L94-V167 HydrophobicContact CD1-CG2 3.93Å; L94-V167 HydrophobicContact CD2-CG2 3.94Å; L94-V167 HydrophobicContact CG-CG2 4.02Å; T95-V167 PolarHBondContact O-N 3.11Å; F96-V167 CarbonylContact C-O 3.56Å; F96-V167 WeakPolarHBondContact CA-O 3.29Å; F96-V167 HydrophobicContact CD1-CB 4.22Å; F96-V167 HydrophobicContact CD1-CG1 4.04Å; F96-V167 HydrophobicContact CD2-CB 3.91Å; F96-V167 HydrophobicContact CD2-CG2 4.21Å; F96-V167 HydrophobicContact CE1-CB 4.25Å; F96-V167 HydrophobicContact CE1-CG1 3.83Å; F96-V167 HydrophobicContact CE2-CB 3.92Å; F96-V167 HydrophobicContact CE2-CG1 4.32Å; F96-V167 HydrophobicContact CE2-CG2 3.84Å; F96-V167 HydrophobicContact CG-CB 4.05Å; F96-V167 HydrophobicContact CG-CG1 4.39Å; F96-V167 HydrophobicContact CZ-CB 4.1Å; F96-V167 HydrophobicContact CZ-CG1 3.98Å; F96-V167 HydrophobicContact CZ-CG2 4.16Å; L97-V167 PolarHBondContact N-O 3.45Å; V167-A188 HydrophobicContact CG2-CB 4.25Å; V167-A189 WeakPolarHBondContact CA-O 3.18Å; V167-A189 HydrophobicContact CG1-CB 4.4Å; V167-V191 HydrophobicContact CG1-CG2 3.92Å; V167-L289 HydrophobicContact CG2-CD1 3.85Å
168	L	98.9	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.5	172.3	-60	175.4	0	0	0	108.4	L97 I166 T178 L181 A182 V187 A189 V190 V191	L97-L168 HydrophobicContact CB-CD2 4.15Å; L97-L168 HydrophobicContact CD2-CD2 3.86Å; L97-L168 HydrophobicContact CG-CD2 4.43Å; I166-L168 HydrophobicContact CG2-CD2 4.05Å; L168-T178 HydrophobicContact CB-CG2 3.96Å; L168-L181 HydrophobicContact CD1-CB 3.64Å; L168-L181 HydrophobicContact CD2-CB 4.46Å; L168-L181 HydrophobicContact CD2-CD1 3.93Å; L168-A182 HydrophobicContact CD1-CB 4.18Å; L168-V187 HydrophobicContact CD1-CG1 4.01Å; L168-V187 HydrophobicContact CD1-CG2 3.9Å; L168-V187 HydrophobicContact CG-CB 4.41Å; L168-V187 HydrophobicContact CG-CG1 4.06Å; L168-V187 HydrophobicContact CG-CG2 3.94Å; L168-A189 PolarHBondContact N-O 3.25Å; L168-V190 HydrophobicContact CB-CG2 4.47Å; L168-V190 HydrophobicContact CD1-CG2 4.48Å; L168-V190 CarbonylContact O-C 3.59Å; L168-V190 VanDerWaalsContact O-CA 3.3Å; L168-V190 WeakPolarHBondContact O-CA 3.42Å; L168-V191 PolarHBondContact O-N 2.91Å
169	Y	98.8	Very high	97.6	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.4	179.1	177.5	-71.5	0	0	0	108.8	F96 L97 L98 S99 F112 Q171 T178 V191 H193 Y277	F96-Y169 HydrophobicContact CD1-CD2 4.4Å; L97-Y169 PolarHBondContact O-N 2.72Å; L98-Y169 CarbonylContact C-O 3.46Å; L98-Y169 WeakPolarHBondContact CA-O 3.49Å; L98-Y169 HydrophobicContact CD2-CD1 3.62Å; L98-Y169 HydrophobicContact CD2-CD2 4.44Å; L98-Y169 HydrophobicContact CD2-CE1 4.44Å; L98-Y169 HydrophobicContact CD2-CG 3.63Å; S99-Y169 PolarHBondContact N-O 2.84Å; F112-Y169 HydrophobicContact CE1-CE1 4.46Å; F112-Y169 HydrophobicContact CZ-CE1 4.5Å; Y169-Q171 HydrophobicContact CE1-CB 4.23Å; Y169-T178 PolarHBondContact O-OG1 3Å; Y169-V191 WeakPolarHBondContact CA-O 3.37Å; Y169-V191 HydrophobicContact CD2-CB 3.58Å; Y169-V191 HydrophobicContact CD2-CG1 3.5Å; Y169-V191 HydrophobicContact CD2-CG2 4.29Å; Y169-V191 HydrophobicContact CE2-CB 4.25Å; Y169-V191 HydrophobicContact CE2-CG1 3.63Å; Y169-V191 HydrophobicContact CG-CB 4.25Å; Y169-V191 HydrophobicContact CG-CG1 4.47Å; Y169-H193 HydrophobicContact CE2-CB 4.48Å; Y169-H193 AromaticContact CZ-ND1 3.98Å; Y169-H193 PolarHBondContact OH-ND1 2.82Å; Y169-Y277 WeakPolarHBondContact CE2-OH 3.45Å; Y169-Y277 PolarHBondContact OH-OH 3.41Å
170	G	98.6	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.5	174.7	0	0	0	0	0	111.5	S99 T175 T178 V191 H193	S99-G170 WeakPolarHBondContact O-CA 3.48Å; G170-T175 WeakPolarHBondContact O-CG2 3.29Å; G170-T178 WeakPolarHBondContact CA-OG1 3.21Å; G170-T178 PolarHBondContact N-OG1 3.04Å; G170-V191 PolarHBondContact N-O 3.32Å; G170-H193 PolarHBondContact O-N 2.89Å
171	Q	98	Very high	97.9	Very high	21 Å²	21	15.1 Å²	15.1	10%	0.098	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.4	172.7	-173.5	-166.7	22.3	0	0	110.4	S99 Y169 I173 G174 H193 E272	S99-Q171 PolarHBondContact O-N 2.85Å; S99-Q171 VanDerWaalsContact O-N 3.16Å; Y169-Q171 HydrophobicContact CE1-CB 4.23Å; Q171-I173 PolarHBondContact O-N 3.19Å; Q171-G174 WeakPolarHBondContact O-CA 3.47Å; Q171-G174 PolarHBondContact O-N 2.98Å; Q171-H193 CarbonylContact C-O 3.5Å; Q171-H193 VanDerWaalsContact CA-O 3.27Å; Q171-H193 WeakPolarHBondContact CA-O 3.42Å; Q171-H193 HydrophobicContact CB-CB 4.33Å; Q171-H193 HydrophobicContact CG-CB 4.35Å; Q171-E272 PolarHBondContact NE2-OE1 3.4Å
172	S	97	Very high	97.9	Very high	15 Å²	15	14.5 Å²	14.5	11%	0.105	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	53.5	-122.2	174.4	-170.6	0	0	0	0	111	G174 T175 H193 S194 L196 H268	S172-G174 PolarHBondContact O-N 2.84Å; S172-G174 VanDerWaalsContact O-N 3.14Å; S172-T175 WeakPolarHBondContact O-CB 3.46Å; S172-T175 WeakPolarHBondContact O-CG2 3.48Å; S172-T175 PolarHBondContact O-N 3.41Å; S172-T175 PolarHBondContact O-OG1 2.69Å; S172-H193 PolarHBondContact N-O 2.88Å; S172-S194 WeakPolarHBondContact CA-O 3.27Å; S172-L196 WeakPolarHBondContact O-CD2 3.36Å; S172-H268 WeakPolarHBondContact CB-NE2 3.22Å; S172-H268 PolarHBondContact OG-CE1 2.91Å; S172-H268 PolarHBondContact OG-NE2 2.84Å
173	I	95.3	Very high	98	Very high	10 Å²	10	13.6 Å²	13.6	5%	0.051	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-56.2	-26.9	174.4	-161.3	169.2	0	0	0	113.7	F28 N102 Y129 Q171 T175 V176 P177 F216	F28-I173 HydrophobicContact CD1-CD1 3.6Å; F28-I173 HydrophobicContact CE1-CD1 3.48Å; F28-I173 VanDerWaalsContact CE1-CD1 3.48Å; F28-I173 HydrophobicContact CE1-CG1 4.41Å; F28-I173 HydrophobicContact CG-CD1 4.43Å; F28-I173 HydrophobicContact CZ-CD1 4.23Å; N102-I173 HydrophobicContact CB-CG2 3.94Å; Y129-I173 HydrophobicContact CE2-CG2 4.27Å; Q171-I173 PolarHBondContact O-N 3.19Å; I173-T175 PolarHBondContact O-N 2.48Å; I173-V176 HydrophobicContact CG1-CG2 4.4Å; I173-V176 VanDerWaalsContact O-CB 3.27Å; I173-V176 WeakPolarHBondContact O-CB 3.1Å; I173-V176 WeakPolarHBondContact O-CG2 3.43Å; I173-V176 PolarHBondContact O-N 3.19Å; I173-P177 WeakPolarHBondContact O-CD 3.44Å; I173-F216 HydrophobicContact CD1-CE2 3.85Å; I173-F216 HydrophobicContact CD1-CZ 3.86Å; I173-F216 HydrophobicContact CG1-CE2 4.17Å; I173-F216 HydrophobicContact CG1-CZ 4.31Å
174	G	97.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.7	173.7	0	0	0	0	0	114	S99 Y129 Q171 S172 V176 P177 T178	S99-G174 VanDerWaalsContact CB-O 3.29Å; S99-G174 WeakPolarHBondContact CB-O 3.4Å; S99-G174 WeakPolarHBondContact O-CA 3.39Å; Y129-G174 WeakPolarHBondContact OH-CA 3.5Å; Q171-G174 WeakPolarHBondContact O-CA 3.47Å; Q171-G174 PolarHBondContact O-N 2.98Å; S172-G174 PolarHBondContact O-N 2.84Å; S172-G174 VanDerWaalsContact O-N 3.14Å; G174-V176 PolarHBondContact O-N 3.09Å; G174-P177 VanDerWaalsContact O-CD 3.26Å; G174-P177 WeakPolarHBondContact O-CD 3.34Å; G174-P177 WeakPolarHBondContact O-CG 3.4Å; G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 PolarHBondContact O-N 2.66Å; G174-T178 PolarHBondContact O-OG1 3.3Å; G174-T178 VanDerWaalsContact O-OG1 3.04Å
175	T	98.4	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.2	-21	170.9	63.1	0	0	0	0	112.8	G170 S172 I173 I179 L192 P195 L196 N218	G170-T175 WeakPolarHBondContact O-CG2 3.29Å; S172-T175 WeakPolarHBondContact O-CB 3.46Å; S172-T175 WeakPolarHBondContact O-CG2 3.48Å; S172-T175 PolarHBondContact O-N 3.41Å; S172-T175 PolarHBondContact O-OG1 2.69Å; I173-T175 PolarHBondContact O-N 2.48Å; T175-I179 WeakPolarHBondContact O-CB 3.2Å; T175-I179 VanDerWaalsContact O-CG1 3.24Å; T175-I179 WeakPolarHBondContact O-CG1 3.3Å; T175-I179 PolarHBondContact O-N 3.14Å; T175-L192 HydrophobicContact CG2-CB 4.33Å; T175-L192 HydrophobicContact CG2-CD2 4.19Å; T175-P195 HydrophobicContact CG2-CB 3.87Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.23Å; T175-N218 PolarHBondContact OG1-ND2 3.19Å
176	V	97.5	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-55.9	178.8	-175.6	0	0	0	0	112.6	L144 Y145 I173 G174 H180 L196 F216 N218	L144-V176 HydrophobicContact CD2-CB 4.07Å; L144-V176 HydrophobicContact CD2-CG1 4.14Å; Y145-V176 HydrophobicContact CE1-CG1 3.81Å; I173-V176 HydrophobicContact CG1-CG2 4.4Å; I173-V176 VanDerWaalsContact O-CB 3.27Å; I173-V176 WeakPolarHBondContact O-CB 3.1Å; I173-V176 WeakPolarHBondContact O-CG2 3.43Å; I173-V176 PolarHBondContact O-N 3.19Å; G174-V176 PolarHBondContact O-N 3.09Å; V176-H180 WeakPolarHBondContact O-CB 3.41Å; V176-H180 PolarHBondContact O-N 3.22Å; V176-L196 HydrophobicContact CG2-CD1 4.33Å; V176-L196 HydrophobicContact CG2-CD2 3.93Å; V176-L196 HydrophobicContact CG2-CG 4.38Å; V176-F216 HydrophobicContact CB-CB 4.49Å; V176-F216 HydrophobicContact CB-CD1 4.41Å; V176-F216 HydrophobicContact CG1-CB 3.99Å; V176-F216 HydrophobicContact CG1-CD1 3.65Å; V176-F216 HydrophobicContact CG1-CE1 4.46Å; V176-F216 HydrophobicContact CG1-CG 4.08Å; V176-F216 HydrophobicContact CG2-CB 3.62Å; V176-F216 HydrophobicContact CG2-CD1 4.1Å; V176-F216 HydrophobicContact CG2-CD2 4.34Å; V176-F216 HydrophobicContact CG2-CG 3.79Å; V176-N218 WeakPolarHBondContact CA-OD1 3.49Å
177	P	98.3	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-35.1	173	23.9	-31.7	0	0	0	112.5	Y129 L144 A148 I173 G174 H180 L181	Y129-P177 HydrophobicContact CE1-CG 4.35Å; L144-P177 HydrophobicContact CD1-CG 4.08Å; L144-P177 HydrophobicContact CD2-CG 4.26Å; L144-P177 HydrophobicContact CG-CB 4.12Å; L144-P177 HydrophobicContact CG-CG 3.85Å; A148-P177 HydrophobicContact CB-CB 3.45Å; A148-P177 VanDerWaalsContact CB-CB 3.45Å; I173-P177 WeakPolarHBondContact O-CD 3.44Å; G174-P177 VanDerWaalsContact O-CD 3.26Å; G174-P177 WeakPolarHBondContact O-CD 3.34Å; G174-P177 WeakPolarHBondContact O-CG 3.4Å; P177-H180 WeakPolarHBondContact O-CB 3.09Å; P177-H180 PolarHBondContact O-N 2.57Å; P177-L181 WeakPolarHBondContact O-CG 3.34Å; P177-L181 PolarHBondContact O-N 3.37Å
178	T	98.8	Very high	98.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-61.7	-48.3	179.1	-70.5	0	0	0	0	112	S99 L168 Y169 G170 G174 H180 L181 A182 V190 L192	S99-T178 PolarHBondContact OG-OG1 3.1Å; L168-T178 HydrophobicContact CB-CG2 3.96Å; Y169-T178 PolarHBondContact O-OG1 3Å; G170-T178 WeakPolarHBondContact CA-OG1 3.21Å; G170-T178 PolarHBondContact N-OG1 3.04Å; G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 PolarHBondContact O-N 2.66Å; G174-T178 PolarHBondContact O-OG1 3.3Å; G174-T178 VanDerWaalsContact O-OG1 3.04Å; T178-H180 VanDerWaalsContact C-N 3.31Å; T178-H180 PolarHBondContact O-N 3.11Å; T178-L181 PolarHBondContact O-N 3.09Å; T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 3.38Å; T178-A182 PolarHBondContact O-N 2.65Å; T178-V190 HydrophobicContact CG2-CG1 3.7Å; T178-L192 HydrophobicContact CG2-CD2 3.73Å
179	I	98.6	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.3	-70.8	171	0	0	0	110.1	T175 L181 A182 T183 L192 N218 R221 I225	T175-I179 WeakPolarHBondContact O-CB 3.2Å; T175-I179 VanDerWaalsContact O-CG1 3.24Å; T175-I179 WeakPolarHBondContact O-CG1 3.3Å; T175-I179 PolarHBondContact O-N 3.14Å; I179-L181 PolarHBondContact O-N 3.28Å; I179-A182 PolarHBondContact O-N 2.79Å; I179-T183 HydrophobicContact CG2-CG2 4.47Å; I179-T183 WeakPolarHBondContact O-CG2 3Å; I179-T183 PolarHBondContact O-N 3.16Å; I179-L192 HydrophobicContact CD1-CD1 3.97Å; I179-L192 HydrophobicContact CD1-CD2 4.21Å; I179-L192 HydrophobicContact CG1-CD1 3.99Å; I179-L192 HydrophobicContact CG1-CD2 3.68Å; I179-N218 HydrophobicContact CD1-CB 3.73Å; I179-R221 HydrophobicContact CG2-CB 3.74Å; I179-I225 HydrophobicContact CG1-CD1 4.16Å; I179-I225 HydrophobicContact CG2-CD1 4.2Å; I179-I225 HydrophobicContact CG2-CG1 4.34Å
180	H	98.2	Very high	98.1	Very high	24 Å²	24	19.4 Å²	19.4	11%	0.111	9%	0.093	C	C	.	.	H	α-helix	trans	-54.3	-53.5	175.5	174	75.6	0	0	0	112	Y145 E149 V176 P177 T178 A182 T183	Y145-H180 HydrophobicContact CD1-CB 3.57Å; Y145-H180 AromaticContact CD1-CD2 3.77Å; Y145-H180 AromaticContact CD1-CG 3.46Å; Y145-H180 VanDerWaalsContact CD1-CG 3.46Å; Y145-H180 AromaticContact CD1-ND1 3.94Å; Y145-H180 HydrophobicContact CE1-CB 3.75Å; Y145-H180 AromaticContact CG-CD2 3.99Å; Y145-H180 AromaticContact CG-CG 3.93Å; E149-H180 IonicContact OE1-CD2 3.07Å; E149-H180 IonicContact OE1-CE1 3.32Å; E149-H180 IonicContact OE1-NE2 3.4Å; E149-H180 PolarHBondContact OE1-NE2 3.29Å; V176-H180 WeakPolarHBondContact O-CB 3.41Å; V176-H180 PolarHBondContact O-N 3.22Å; P177-H180 WeakPolarHBondContact O-CB 3.09Å; P177-H180 PolarHBondContact O-N 2.57Å; T178-H180 VanDerWaalsContact C-N 3.31Å; T178-H180 PolarHBondContact O-N 3.11Å; H180-A182 VanDerWaalsContact C-N 3.31Å; H180-A182 PolarHBondContact O-N 2.97Å; H180-T183 PolarHBondContact O-N 3.11Å; H180-T183 VanDerWaalsContact O-N 3.16Å; H180-T183 PolarHBondContact O-OG1 3.42Å
181	L	98.7	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.4	-41.1	176.4	-69.1	-178.6	0	0	0	112.4	L97 A148 E149 L152 L168 P177 T178 I179 T183 L184 H185	L97-L181 HydrophobicContact CD2-CD1 4.08Å; A148-L181 HydrophobicContact CB-CD1 3.85Å; A148-L181 HydrophobicContact CB-CD2 4.38Å; A148-L181 HydrophobicContact CB-CG 4.07Å; E149-L181 HydrophobicContact CB-CD2 4.41Å; E149-L181 HydrophobicContact CG-CD2 3.75Å; L152-L181 HydrophobicContact CB-CD1 4.28Å; L152-L181 HydrophobicContact CD2-CD1 4.4Å; L152-L181 HydrophobicContact CD2-CD2 4Å; L168-L181 HydrophobicContact CD1-CB 3.64Å; L168-L181 HydrophobicContact CD2-CB 4.46Å; L168-L181 HydrophobicContact CD2-CD1 3.93Å; P177-L181 WeakPolarHBondContact O-CG 3.34Å; P177-L181 PolarHBondContact O-N 3.37Å; T178-L181 PolarHBondContact O-N 3.09Å; I179-L181 PolarHBondContact O-N 3.28Å; L181-T183 PolarHBondContact O-N 2.8Å; L181-L184 PolarHBondContact O-N 2.87Å; L181-H185 PolarHBondContact O-N 3.06Å
182	A	98.6	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-19	179.7	0	0	0	0	0	114.2	L168 T178 I179 H180 V190 I225 I226	L168-A182 HydrophobicContact CD1-CB 4.18Å; T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 3.38Å; T178-A182 PolarHBondContact O-N 2.65Å; I179-A182 PolarHBondContact O-N 2.79Å; H180-A182 VanDerWaalsContact C-N 3.31Å; H180-A182 PolarHBondContact O-N 2.97Å; A182-V190 HydrophobicContact CB-CG1 4.33Å; A182-V190 HydrophobicContact CB-CG2 3.6Å; A182-I225 HydrophobicContact CB-CG1 4.04Å; A182-I225 HydrophobicContact CB-CG2 4Å; A182-I226 PolarHBondContact O-N 2.94Å
183	T	98.2	Very high	98.2	Very high	33 Å²	33	17.7 Å²	17.7	20%	0.202	8%	0.083	C	C	.	.	H	α-helix	trans	-81.3	-18.5	169.5	67.6	0	0	0	0	113.7	I179 H180 L181 R221 K224 I225	I179-T183 HydrophobicContact CG2-CG2 4.47Å; I179-T183 WeakPolarHBondContact O-CG2 3Å; I179-T183 PolarHBondContact O-N 3.16Å; H180-T183 PolarHBondContact O-N 3.11Å; H180-T183 VanDerWaalsContact O-N 3.16Å; H180-T183 PolarHBondContact O-OG1 3.42Å; L181-T183 PolarHBondContact O-N 2.8Å; T183-R221 HydrophobicContact CG2-CB 4.21Å; T183-K224 HydrophobicContact CG2-CB 3.76Å; T183-I225 HydrophobicContact CG2-CG1 4.49Å
184	L	98.1	Very high	98.3	Very high	86 Å²	86	17.2 Å²	17.2	45%	0.45	8%	0.081	S	C	.	.	H	α-helix	trans	-101.6	-29.1	-175.9	-61.1	179.6	0	0	0	112.8	L181	L181-L184 PolarHBondContact O-N 2.87Å
185	H	98.3	Very high	98.3	Very high	49 Å²	49	17.2 Å²	17.2	23%	0.227	8%	0.081	C	C	.	.			trans	-133	133.8	-171.2	-57.5	-64.6	0	0	0	111.6	L152 L163 L181 V187 S227	L152-H185 WeakPolarHBondContact CD2-CD2 2.95Å; L163-H185 HydrophobicContact CD1-CB 4.43Å; L163-H185 HydrophobicContact CD2-CB 4.16Å; L181-H185 PolarHBondContact O-N 3.06Å; H185-V187 HydrophobicContact CB-CG1 4.19Å; H185-V187 PolarHBondContact O-N 2.87Å; H185-S227 PolarHBondContact O-OG 3.28Å
186	R	97.9	Very high	98.2	Very high	150 Å²	150	17.6 Å²	17.6	57%	0.566	8%	0.083	S	C	*	.			trans	-80.6	108.6	166.3	-171.6	166.8	-175.8	-108.6	-1.2	108.6	L163 I226 S227	L163-R186 WeakPolarHBondContact CB-O 3.46Å; R186-I226 HydrophobicContact CB-CD1 3.95Å; R186-I226 HydrophobicContact CB-CG1 4.17Å; R186-S227 WeakPolarHBondContact CA-OG 3.35Å
187	V	98.2	Very high	98.1	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.042	9%	0.087	C	C	.	.			trans	-107.9	177.9	-179.2	-65.4	0	0	0	0	110.5	L163 I166 L168 H185 A189 V190 S227	L163-V187 HydrophobicContact CD2-CG1 4.17Å; L163-V187 CarbonylContact O-C 3.55Å; L163-V187 VanDerWaalsContact O-CA 3.28Å; L163-V187 WeakPolarHBondContact O-CA 3.49Å; I166-V187 WeakPolarHBondContact O-CB 3.5Å; L168-V187 HydrophobicContact CD1-CG1 4.01Å; L168-V187 HydrophobicContact CD1-CG2 3.9Å; L168-V187 HydrophobicContact CG-CB 4.41Å; L168-V187 HydrophobicContact CG-CG1 4.06Å; L168-V187 HydrophobicContact CG-CG2 3.94Å; H185-V187 HydrophobicContact CB-CG1 4.19Å; H185-V187 PolarHBondContact O-N 2.87Å; V187-A189 WeakPolarHBondContact CG2-O 3.38Å; V187-V190 HydrophobicContact CG2-CG2 3.93Å; V187-S227 WeakPolarHBondContact CG2-OG 3.49Å; V187-S227 PolarHBondContact N-OG 2.69Å
188	A	97.7	Very high	97.8	Very high	11 Å²	11	18.4 Å²	18.4	9%	0.091	9%	0.087	C	C	.	.	S	Bend	trans	-60.3	-50.3	178.1	0	0	0	0	0	111.4	L94 L163 N164 I166 V167 L289	L94-A188 HydrophobicContact CD1-CB 4.16Å; L163-A188 PolarHBondContact O-N 3.2Å; N164-A188 WeakPolarHBondContact O-CB 3.43Å; I166-A188 WeakPolarHBondContact O-CB 3.36Å; I166-A188 PolarHBondContact O-N 3.02Å; V167-A188 HydrophobicContact CG2-CB 4.25Å; A188-L289 HydrophobicContact CB-CD2 3.98Å; A188-L289 VanDerWaalsContact O-CD2 3.25Å; A188-L289 WeakPolarHBondContact O-CD2 3.04Å
189	A	98.5	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	170.2	172.5	0	0	0	0	0	111.4	V167 L168 V187 P228 L284 L289	V167-A189 WeakPolarHBondContact CA-O 3.18Å; V167-A189 HydrophobicContact CG1-CB 4.4Å; L168-A189 PolarHBondContact N-O 3.25Å; V187-A189 WeakPolarHBondContact CG2-O 3.38Å; A189-P228 CarbonylContact C-O 3.57Å; A189-P228 VanDerWaalsContact CA-O 3.25Å; A189-P228 WeakPolarHBondContact CA-O 3.19Å; A189-L284 HydrophobicContact CB-CD1 4.03Å; A189-L289 HydrophobicContact CB-CD2 3.76Å
190	V	98.9	Very high	96.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.4	173.9	-177.4	0	0	0	0	108.4	L168 T178 A182 V187 L192 I225 P228 T229 L230	L168-V190 HydrophobicContact CB-CG2 4.47Å; L168-V190 HydrophobicContact CD1-CG2 4.48Å; L168-V190 CarbonylContact O-C 3.59Å; L168-V190 VanDerWaalsContact O-CA 3.3Å; L168-V190 WeakPolarHBondContact O-CA 3.42Å; T178-V190 HydrophobicContact CG2-CG1 3.7Å; A182-V190 HydrophobicContact CB-CG1 4.33Å; A182-V190 HydrophobicContact CB-CG2 3.6Å; V187-V190 HydrophobicContact CG2-CG2 3.93Å; V190-L192 HydrophobicContact CG1-CD2 3.71Å; V190-L192 HydrophobicContact CG1-CG 4Å; V190-I225 HydrophobicContact CG2-CG2 4.47Å; V190-P228 PolarHBondContact N-O 2.81Å; V190-T229 HydrophobicContact CB-CG2 4.24Å; V190-T229 HydrophobicContact CG1-CG2 4.34Å; V190-T229 CarbonylContact O-C 3.42Å; V190-T229 VanDerWaalsContact O-CA 3.31Å; V190-T229 WeakPolarHBondContact O-CA 3.48Å; V190-L230 PolarHBondContact O-N 3.18Å
191	V	98.9	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.4	172.3	-177.4	0	0	0	0	108.5	V167 L168 Y169 G170 L230 I232 L281 L284	V167-V191 HydrophobicContact CG1-CG2 3.92Å; L168-V191 PolarHBondContact O-N 2.91Å; Y169-V191 WeakPolarHBondContact CA-O 3.37Å; Y169-V191 HydrophobicContact CD2-CB 3.58Å; Y169-V191 HydrophobicContact CD2-CG1 3.5Å; Y169-V191 HydrophobicContact CD2-CG2 4.29Å; Y169-V191 HydrophobicContact CE2-CB 4.25Å; Y169-V191 HydrophobicContact CE2-CG1 3.63Å; Y169-V191 HydrophobicContact CG-CB 4.25Å; Y169-V191 HydrophobicContact CG-CG1 4.47Å; G170-V191 PolarHBondContact N-O 3.32Å; V191-L230 WeakPolarHBondContact CA-O 3.4Å; V191-L230 HydrophobicContact CG1-CD2 4.45Å; V191-L230 HydrophobicContact CG2-CB 4.45Å; V191-L230 HydrophobicContact CG2-CD2 4.39Å; V191-I232 HydrophobicContact CG1-CD1 4.01Å; V191-I232 HydrophobicContact CG1-CG1 4.48Å; V191-L281 HydrophobicContact CG1-CD2 4.13Å; V191-L281 HydrophobicContact CG2-CD2 4.21Å; V191-L284 HydrophobicContact CG2-CD2 3.59Å
192	L	98.8	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.8	177.1	-58.2	-178.5	0	0	0	108.7	T175 T178 I179 V190 P195 T229 L230 V231 I232 I248	T175-L192 HydrophobicContact CG2-CB 4.33Å; T175-L192 HydrophobicContact CG2-CD2 4.19Å; T178-L192 HydrophobicContact CG2-CD2 3.73Å; I179-L192 HydrophobicContact CD1-CD1 3.97Å; I179-L192 HydrophobicContact CD1-CD2 4.21Å; I179-L192 HydrophobicContact CG1-CD1 3.99Å; I179-L192 HydrophobicContact CG1-CD2 3.68Å; V190-L192 HydrophobicContact CG1-CD2 3.71Å; V190-L192 HydrophobicContact CG1-CG 4Å; L192-P195 HydrophobicContact CB-CB 4.2Å; L192-P195 HydrophobicContact CB-CG 4.23Å; L192-T229 HydrophobicContact CD1-CG2 3.82Å; L192-T229 HydrophobicContact CG-CG2 4.08Å; L192-L230 PolarHBondContact N-O 3.34Å; L192-V231 HydrophobicContact CB-CG2 4.36Å; L192-V231 HydrophobicContact CD1-CG2 4.39Å; L192-V231 WeakPolarHBondContact O-CA 3.41Å; L192-I232 PolarHBondContact O-N 2.85Å; L192-I248 HydrophobicContact CD1-CG2 3.86Å
193	H	98.5	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.2	178.9	-175.8	-177.6	0	0	0	110.1	Y169 G170 Q171 S172 I232 C271 E272 Y277	Y169-H193 HydrophobicContact CE2-CB 4.48Å; Y169-H193 AromaticContact CZ-ND1 3.98Å; Y169-H193 PolarHBondContact OH-ND1 2.82Å; G170-H193 PolarHBondContact O-N 2.89Å; Q171-H193 CarbonylContact C-O 3.5Å; Q171-H193 VanDerWaalsContact CA-O 3.27Å; Q171-H193 WeakPolarHBondContact CA-O 3.42Å; Q171-H193 HydrophobicContact CB-CB 4.33Å; Q171-H193 HydrophobicContact CG-CB 4.35Å; S172-H193 PolarHBondContact N-O 2.88Å; H193-I232 CarbonylContact C-O 3.43Å; H193-I232 WeakPolarHBondContact CA-O 3.32Å; H193-C271 WeakPolarHBondContact NE2-CB 3.25Å; H193-E272 IonicContact CE1-OE1 2.73Å; H193-E272 PolarHBondContact CE1-OE1 3.49Å; H193-E272 IonicContact CE1-OE2 2.84Å; H193-E272 IonicContact ND1-OE1 3.12Å; H193-Y277 AromaticContact CE1-CE2 3.65Å; H193-Y277 AromaticContact ND1-CE2 3.73Å
194	S	98.1	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	49.6	53.3	-177.8	-58.5	0	0	0	0	112.4	S172 I232	S172-S194 WeakPolarHBondContact CA-O 3.27Å; S194-I232 PolarHBondContact N-O 2.95Å
195	P	98.1	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.			trans	-67.3	145.7	-173.3	28.7	-35.9	0	0	0	112.4	T175 L192 V231 V240 H244 I248	T175-P195 HydrophobicContact CG2-CB 3.87Å; L192-P195 HydrophobicContact CB-CB 4.2Å; L192-P195 HydrophobicContact CB-CG 4.23Å; P195-V231 HydrophobicContact CG-CG1 3.93Å; P195-V240 WeakPolarHBondContact O-CG1 3.08Å; P195-H244 VanDerWaalsContact O-CB 3.23Å; P195-H244 WeakPolarHBondContact O-CB 3.23Å; P195-I248 HydrophobicContact CB-CG1 4.24Å; P195-I248 HydrophobicContact CB-CG2 4.35Å; P195-I248 HydrophobicContact CG-CB 4.21Å; P195-I248 HydrophobicContact CG-CG1 4.29Å; P195-I248 HydrophobicContact CG-CG2 4.11Å
196	L	95.5	Very high	91.4	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	18%	0.179	C	C	.	.			trans	-92.4	144.1	168.2	63	159.4	0	0	0	111.2	S172 T175 V176 V202 F216 N218 V240 H244	S172-L196 WeakPolarHBondContact O-CD2 3.36Å; T175-L196 WeakPolarHBondContact OG1-CD2 3.23Å; V176-L196 HydrophobicContact CG2-CD1 4.33Å; V176-L196 HydrophobicContact CG2-CD2 3.93Å; V176-L196 HydrophobicContact CG2-CG 4.38Å; L196-V202 HydrophobicContact CB-CG2 3.55Å; L196-V202 HydrophobicContact CD1-CG2 4.06Å; L196-V202 HydrophobicContact CG-CG2 4.45Å; L196-F216 HydrophobicContact CD1-CB 4.04Å; L196-F216 HydrophobicContact CD1-CD2 3.97Å; L196-F216 HydrophobicContact CD1-CG 4.46Å; L196-N218 WeakPolarHBondContact O-CB 3.45Å; L196-N218 PolarHBondContact O-ND2 3.4Å; L196-N218 VanDerWaalsContact O-ND2 3.09Å; L196-V240 HydrophobicContact CB-CG1 4.21Å; L196-H244 WeakPolarHBondContact CA-ND1 3.42Å
197	M	94.4	Very high	90.3	Very high	18 Å²	18	30.7 Å²	30.7	9%	0.089	16%	0.164	C	C	.	.	S	Bend	trans	-70.2	-45	167.6	-70.7	-175.2	-79.9	0	0	112.3	R201 N218 L219 H244 R247 I248	M197-R201 HydrophobicContact CE-CB 4.4Å; M197-N218 PolarHBondContact O-N 3.09Å; M197-N218 VanDerWaalsContact O-N 3.1Å; M197-L219 HydrophobicContact CB-CB 4.09Å; M197-L219 HydrophobicContact CB-CD2 4.46Å; M197-L219 HydrophobicContact CG-CB 4.4Å; M197-L219 HydrophobicContact CG-CD1 4.49Å; M197-L219 HydrophobicContact CG-CD2 4.34Å; M197-L219 PolarHBondContact O-N 2.87Å; M197-L219 HydrophobicContact SD-CD2 4.02Å; M197-H244 HydrophobicContact CE-CB 4.31Å; M197-H244 WeakPolarHBondContact CE-CD2 3.49Å; M197-H244 WeakPolarHBondContact CE-NE2 3.45Å; M197-H244 HydrophobicContact CG-CB 4.11Å; M197-H244 PolarHBondContact N-ND1 2.84Å; M197-H244 VanDerWaalsContact N-ND1 3.14Å; M197-R247 HydrophobicContact CE-CG 4.47Å; M197-R247 HydrophobicContact CG-CB 4.02Å; M197-R247 HydrophobicContact SD-CB 3.45Å; M197-R247 WeakPolarHBondContact SD-CB 3.32Å; M197-R247 HydrophobicContact SD-CG 3.66Å; M197-I248 HydrophobicContact CG-CG1 4.41Å
198	S	92.3	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.			trans	-169.7	163.1	176.2	62.5	0	0	0	0	111.6	R201 V202 D214 F216	S198-R201 PolarHBondContact O-N 2.78Å; S198-R201 WeakPolarHBondContact OG-CG 3.19Å; S198-R201 PolarHBondContact OG-NH1 2.8Å; S198-R201 VanDerWaalsContact OG-NH1 3.09Å; S198-V202 WeakPolarHBondContact O-CG2 3.32Å; S198-V202 PolarHBondContact O-N 3.06Å; S198-D214 VanDerWaalsContact CB-CG 3.44Å; S198-D214 VanDerWaalsContact CB-OD1 3.32Å; S198-D214 WeakPolarHBondContact CB-OD1 3.19Å; S198-D214 WeakPolarHBondContact CB-OD2 3.19Å; S198-D214 VanDerWaalsContact OG-CG 3.3Å; S198-D214 PolarHBondContact OG-OD1 2.78Å; S198-D214 PolarHBondContact OG-OD2 2.75Å; S198-F216 VanDerWaalsContact CA-O 3.28Å; S198-F216 WeakPolarHBondContact CA-O 3.23Å
199	G	86.2	Confident	87.5	Confident	16 Å²	16	48.5 Å²	48.5	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-176.3	0	0	0	0	0	113.2	R201 V202 A203 D214 V215	G199-R201 VanDerWaalsContact C-N 3.29Å; G199-R201 PolarHBondContact O-N 2.88Å; G199-V202 PolarHBondContact O-N 3.03Å; G199-A203 PolarHBondContact O-N 2.89Å; G199-A203 VanDerWaalsContact O-N 3.12Å; G199-D214 PolarHBondContact N-OD1 3.45Å; G199-V215 PolarHBondContact N-O 3.42Å
200	L	83.6	Confident	85.9	Confident	25 Å²	25	54 Å²	54	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-33.4	176.7	-70.5	178.3	0	0	0	112.2	V202 A203 F204 L207 Y211 D214	L200-V202 VanDerWaalsContact C-N 3.33Å; L200-A203 PolarHBondContact O-N 3.46Å; L200-F204 HydrophobicContact CD2-CD2 4.43Å; L200-F204 HydrophobicContact CD2-CE2 4.47Å; L200-F204 WeakPolarHBondContact O-CA 3.34Å; L200-F204 WeakPolarHBondContact O-CB 3.35Å; L200-F204 PolarHBondContact O-N 2.94Å; L200-L207 HydrophobicContact CB-CD1 3.85Å; L200-Y211 HydrophobicContact CD1-CD2 4.5Å; L200-D214 VanDerWaalsContact CB-OD1 3.23Å; L200-D214 WeakPolarHBondContact CB-OD1 3.37Å; L200-D214 HydrophobicContact CD1-CB 3.72Å; L200-D214 HydrophobicContact CG-CB 4.17Å; L200-D214 WeakPolarHBondContact CG-OD1 3.48Å; L200-D214 PolarHBondContact N-OD1 3.13Å
201	R	86.9	Confident	84.3	Confident	20 Å²	20	58.6 Å²	58.6	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-70.6	-30	177.3	-72.8	-178.8	178	103.2	-5.9	112.9	M197 S198 G199 F204 P205 N210 D214	M197-R201 HydrophobicContact CE-CB 4.4Å; S198-R201 PolarHBondContact O-N 2.78Å; S198-R201 WeakPolarHBondContact OG-CG 3.19Å; S198-R201 PolarHBondContact OG-NH1 2.8Å; S198-R201 VanDerWaalsContact OG-NH1 3.09Å; G199-R201 VanDerWaalsContact C-N 3.29Å; G199-R201 PolarHBondContact O-N 2.88Å; R201-F204 CarbonylContact O-C 3.2Å; R201-P205 VanDerWaalsContact O-CA 3.3Å; R201-P205 WeakPolarHBondContact O-CA 3.48Å; R201-N210 PolarHBondContact NH1-OD1 3.25Å; R201-N210 PolarHBondContact NH2-OD1 3.04Å; R201-D214 IonicContact NH1-OD2 2.7Å
202	V	84.4	Confident	82.5	Confident	45 Å²	45	64.5 Å²	64.5	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-49.5	170.8	175.5	0	0	0	0	109.9	L196 S198 G199 L200 F204 V240	L196-V202 HydrophobicContact CB-CG2 3.55Å; L196-V202 HydrophobicContact CD1-CG2 4.06Å; L196-V202 HydrophobicContact CG-CG2 4.45Å; S198-V202 WeakPolarHBondContact O-CG2 3.32Å; S198-V202 PolarHBondContact O-N 3.06Å; G199-V202 PolarHBondContact O-N 3.03Å; L200-V202 VanDerWaalsContact C-N 3.33Å; V202-F204 VanDerWaalsContact C-N 3.35Å; V202-F204 PolarHBondContact O-N 3.42Å; V202-V240 HydrophobicContact CG1-CG2 4.43Å; V202-V240 HydrophobicContact CG2-CG1 4.48Å; V202-V240 HydrophobicContact CG2-CG2 4.24Å
203	A	81.2	Confident	81.1	Confident	64 Å²	64	65.6 Å²	65.6	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-68.4	-32.1	-178.9	0	0	0	0	0	113.6	G199 L200	G199-A203 PolarHBondContact O-N 2.89Å; G199-A203 VanDerWaalsContact O-N 3.12Å; L200-A203 PolarHBondContact O-N 3.46Å
204	F	81.1	Confident	79.9	Confident	100 Å²	100	66.5 Å²	66.5	44%	0.439	33%	0.333	S	S	.	.			trans	-136.1	82.3	-176.7	-55.6	-76.7	0	0	0	110.4	L200 R201 V202 R206 L207	L200-F204 HydrophobicContact CD2-CD2 4.43Å; L200-F204 HydrophobicContact CD2-CE2 4.47Å; L200-F204 WeakPolarHBondContact O-CA 3.34Å; L200-F204 WeakPolarHBondContact O-CB 3.35Å; L200-F204 PolarHBondContact O-N 2.94Å; R201-F204 CarbonylContact O-C 3.2Å; V202-F204 VanDerWaalsContact C-N 3.35Å; V202-F204 PolarHBondContact O-N 3.42Å; F204-R206 PolarHBondContact O-N 2.82Å; F204-L207 HydrophobicContact CB-CD1 3.65Å; F204-L207 HydrophobicContact CB-CD2 4.48Å; F204-L207 HydrophobicContact CB-CG 3.68Å; F204-L207 HydrophobicContact CD2-CD1 4.27Å; F204-L207 HydrophobicContact CG-CD1 4.35Å; F204-L207 WeakPolarHBondContact O-CB 3.34Å; F204-L207 WeakPolarHBondContact O-CG 3.1Å; F204-L207 PolarHBondContact O-N 3.49Å
205	P	76.7	Confident	79.1	Confident	92 Å²	92	67.5 Å²	67.5	60%	0.597	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	-173.5	-27.6	35.8	0	0	0	115.6	R201 L207	R201-P205 VanDerWaalsContact O-CA 3.3Å; R201-P205 WeakPolarHBondContact O-CA 3.48Å; P205-L207 VanDerWaalsContact C-N 3.31Å; P205-L207 PolarHBondContact O-N 3.14Å
206	R	74.5	Confident	78.6	Confident	192 Å²	192	67.9 Å²	67.9	73%	0.725	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.2	179.8	-63.6	-176.6	179.5	170.1	-2.3	113.9	F204 K208	F204-R206 PolarHBondContact O-N 2.82Å; R206-K208 PolarHBondContact O-N 3.18Å
207	L	73.6	Confident	78.3	Confident	46 Å²	46	69.3 Å²	69.3	24%	0.241	35%	0.351	C	S	.	.			trans	-71.4	113.5	-178.8	-67	180	0	0	0	111.8	L200 F204 P205 Y211	L200-L207 HydrophobicContact CB-CD1 3.85Å; F204-L207 HydrophobicContact CB-CD1 3.65Å; F204-L207 HydrophobicContact CB-CD2 4.48Å; F204-L207 HydrophobicContact CB-CG 3.68Å; F204-L207 HydrophobicContact CD2-CD1 4.27Å; F204-L207 HydrophobicContact CG-CD1 4.35Å; F204-L207 WeakPolarHBondContact O-CB 3.34Å; F204-L207 WeakPolarHBondContact O-CG 3.1Å; F204-L207 PolarHBondContact O-N 3.49Å; P205-L207 VanDerWaalsContact C-N 3.31Å; P205-L207 PolarHBondContact O-N 3.14Å; L207-Y211 HydrophobicContact CB-CE2 4.22Å; L207-Y211 HydrophobicContact CD1-CD2 4.28Å; L207-Y211 HydrophobicContact CD1-CE2 4.09Å; L207-Y211 HydrophobicContact CD2-CE2 3.68Å; L207-Y211 HydrophobicContact CG-CE2 4.2Å
208	K	71	Confident	78.3	Confident	199 Å²	199	68.5 Å²	68.5	87%	0.865	35%	0.347	S	S	*	.			trans	-88.1	-27.3	177.9	-62.7	-175.9	-179.9	-179.2	0	113.9	R206	R206-K208 PolarHBondContact O-N 3.18Å
209	R	65.6	Low	78.4	Confident	194 Å²	194	70.4 Å²	70.4	73%	0.732	36%	0.357	S	S	*	.	S	Bend	trans	-99.5	153.2	-175.7	-66.8	-177.3	177.2	139.5	-1.1	111.6	Y211	R209-Y211 HydrophobicContact CB-CE2 4.21Å; R209-Y211 VanDerWaalsContact O-CD2 3.27Å; R209-Y211 WeakPolarHBondContact O-CD2 3.39Å; R209-Y211 VanDerWaalsContact O-CE2 3.25Å; R209-Y211 WeakPolarHBondContact O-CE2 3.18Å
210	N	66.8	Low	78.8	Confident	114 Å²	114	72.9 Å²	72.9	61%	0.61	38%	0.376	S	S	*	.			trans	-74.3	139.2	164.9	-66.5	-36.6	0	0	0	108.7	R201	R201-N210 PolarHBondContact NH1-OD1 3.25Å; R201-N210 PolarHBondContact NH2-OD1 3.04Å
211	Y	65.2	Low	79.4	Confident	98 Å²	98	74.5 Å²	74.5	38%	0.384	38%	0.38	S	S	.	.			trans	-116.8	146.4	174.9	-65	-90.2	0	0	0	109.2	L200 L207 R209 C213 D214	L200-Y211 HydrophobicContact CD1-CD2 4.5Å; L207-Y211 HydrophobicContact CB-CE2 4.22Å; L207-Y211 HydrophobicContact CD1-CD2 4.28Å; L207-Y211 HydrophobicContact CD1-CE2 4.09Å; L207-Y211 HydrophobicContact CD2-CE2 3.68Å; L207-Y211 HydrophobicContact CG-CE2 4.2Å; R209-Y211 HydrophobicContact CB-CE2 4.21Å; R209-Y211 VanDerWaalsContact O-CD2 3.27Å; R209-Y211 WeakPolarHBondContact O-CD2 3.39Å; R209-Y211 VanDerWaalsContact O-CE2 3.25Å; R209-Y211 WeakPolarHBondContact O-CE2 3.18Å; Y211-C213 PolarHBondContact O-N 3.42Å; Y211-D214 WeakPolarHBondContact O-CB 3.47Å; Y211-D214 PolarHBondContact O-N 2.96Å
212	C	60.4	Low	79.9	Confident	124 Å²	124	73.6 Å²	73.6	84%	0.838	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23	-178.7	57.2	0	0	0	0	113.3	D214	C212-D214 VanDerWaalsContact C-N 3.31Å
213	C	68.6	Low	80.5	Confident	22 Å²	22	75.1 Å²	75.1	15%	0.149	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.9	176.8	-58.7	0	0	0	0	113.6	L13 C14 P19 Y211	L13-C213 HydrophobicContact CB-CB 4.41Å; L13-C213 PolarHBondContact O-SG 3.46Å; C14-C213 VanDerWaalsContact SG-SG 3.64Å; P19-C213 HydrophobicContact CB-CB 4.4Å; Y211-C213 PolarHBondContact O-N 3.42Å
214	D	73.7	Confident	81.3	Confident	19 Å²	19	78.7 Å²	78.7	10%	0.102	39%	0.391	C	S	.	.			trans	-74.5	128	179.7	-155.1	-3.6	0	0	0	111.2	S198 G199 L200 R201 Y211 C212	S198-D214 VanDerWaalsContact CB-CG 3.44Å; S198-D214 VanDerWaalsContact CB-OD1 3.32Å; S198-D214 WeakPolarHBondContact CB-OD1 3.19Å; S198-D214 WeakPolarHBondContact CB-OD2 3.19Å; S198-D214 VanDerWaalsContact OG-CG 3.3Å; S198-D214 PolarHBondContact OG-OD1 2.78Å; S198-D214 PolarHBondContact OG-OD2 2.75Å; G199-D214 PolarHBondContact N-OD1 3.45Å; L200-D214 VanDerWaalsContact CB-OD1 3.23Å; L200-D214 WeakPolarHBondContact CB-OD1 3.37Å; L200-D214 HydrophobicContact CD1-CB 3.72Å; L200-D214 HydrophobicContact CG-CB 4.17Å; L200-D214 WeakPolarHBondContact CG-OD1 3.48Å; L200-D214 PolarHBondContact N-OD1 3.13Å; R201-D214 IonicContact NH1-OD2 2.7Å; Y211-D214 WeakPolarHBondContact O-CB 3.47Å; Y211-D214 PolarHBondContact O-N 2.96Å; C212-D214 VanDerWaalsContact C-N 3.31Å
215	V	81.9	Confident	82.2	Confident	22 Å²	22	74.1 Å²	74.1	13%	0.133	37%	0.372	C	S	.	.			trans	-94.9	157.2	175.9	-63.7	0	0	0	0	109.5	A23 G199 S217	A23-V215 HydrophobicContact CB-CG1 3.76Å; A23-V215 HydrophobicContact CB-CG2 4.33Å; G199-V215 PolarHBondContact N-O 3.42Å; V215-S217 PolarHBondContact O-N 2.88Å
216	F	87.5	Confident	83.2	Confident	7 Å²	7	73.4 Å²	73.4	3%	0.031	36%	0.362	C	S	.	.			trans	59.8	44.2	173.6	-47.5	-36.1	0	0	0	113.7	A27 F28 E141 L144 I173 V176 L196 S198 N218	A27-F216 HydrophobicContact CB-CE2 3.57Å; A27-F216 HydrophobicContact CB-CZ 3.78Å; F28-F216 HydrophobicContact CE1-CZ 4.18Å; F28-F216 HydrophobicContact CE2-CE1 4.19Å; F28-F216 AromaticContact CE2-CZ 3.74Å; F28-F216 HydrophobicContact CE2-CZ 3.74Å; F28-F216 AromaticContact CZ-CE1 3.76Å; F28-F216 HydrophobicContact CZ-CE1 3.76Å; F28-F216 AromaticContact CZ-CZ 3.51Å; F28-F216 HydrophobicContact CZ-CZ 3.51Å; E141-F216 HydrophobicContact CB-CD1 4.15Å; E141-F216 HydrophobicContact CB-CE1 3.76Å; E141-F216 HydrophobicContact CG-CD1 3.74Å; E141-F216 HydrophobicContact CG-CE1 3.86Å; E141-F216 VanDerWaalsContact OE1-CA 3.28Å; E141-F216 WeakPolarHBondContact OE1-CA 3.45Å; E141-F216 PolarHBondContact OE1-N 3.26Å; L144-F216 HydrophobicContact CD2-CE1 4.45Å; I173-F216 HydrophobicContact CD1-CE2 3.85Å; I173-F216 HydrophobicContact CD1-CZ 3.86Å; I173-F216 HydrophobicContact CG1-CE2 4.17Å; I173-F216 HydrophobicContact CG1-CZ 4.31Å; V176-F216 HydrophobicContact CB-CB 4.49Å; V176-F216 HydrophobicContact CB-CD1 4.41Å; V176-F216 HydrophobicContact CG1-CB 3.99Å; V176-F216 HydrophobicContact CG1-CD1 3.65Å; V176-F216 HydrophobicContact CG1-CE1 4.46Å; V176-F216 HydrophobicContact CG1-CG 4.08Å; V176-F216 HydrophobicContact CG2-CB 3.62Å; V176-F216 HydrophobicContact CG2-CD1 4.1Å; V176-F216 HydrophobicContact CG2-CD2 4.34Å; V176-F216 HydrophobicContact CG2-CG 3.79Å; L196-F216 HydrophobicContact CD1-CB 4.04Å; L196-F216 HydrophobicContact CD1-CD2 3.97Å; L196-F216 HydrophobicContact CD1-CG 4.46Å; S198-F216 VanDerWaalsContact CA-O 3.28Å; S198-F216 WeakPolarHBondContact CA-O 3.23Å; F216-N218 PolarHBondContact O-N 3.37Å
217	S	89.2	Confident	84.3	Confident	39 Å²	39	64.3 Å²	64.3	27%	0.273	33%	0.328	S	S	.	.			trans	-67.3	61	-176	-69.6	0	0	0	0	113.7	V215 L219 A220 R221	V215-S217 PolarHBondContact O-N 2.88Å; S217-L219 PolarHBondContact O-N 2.84Å; S217-A220 PolarHBondContact O-N 2.75Å; S217-R221 PolarHBondContact O-N 3.45Å
218	N	94.5	Very high	85.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-45	-178.5	-79.1	-7	0	0	0	111.2	T175 V176 I179 L196 M197 F216 A220 R221 T222 I248	T175-N218 PolarHBondContact OG1-ND2 3.19Å; V176-N218 WeakPolarHBondContact CA-OD1 3.49Å; I179-N218 HydrophobicContact CD1-CB 3.73Å; L196-N218 WeakPolarHBondContact O-CB 3.45Å; L196-N218 PolarHBondContact O-ND2 3.4Å; L196-N218 VanDerWaalsContact O-ND2 3.09Å; M197-N218 PolarHBondContact O-N 3.09Å; M197-N218 VanDerWaalsContact O-N 3.1Å; F216-N218 PolarHBondContact O-N 3.37Å; N218-A220 PolarHBondContact O-N 3.4Å; N218-A220 VanDerWaalsContact O-N 3.13Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.23Å; N218-R221 PolarHBondContact O-N 2.94Å; N218-T222 PolarHBondContact O-N 2.88Å; N218-T222 PolarHBondContact O-OG1 3.46Å; N218-I248 HydrophobicContact CB-CD1 4.27Å
219	L	94.7	Very high	86.8	Confident	41 Å²	41	53.1 Å²	53.1	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-34.2	-179.8	-175.3	65.3	0	0	0	112.7	M197 S217 R221 P223 R247 I248 A251	M197-L219 HydrophobicContact CB-CB 4.09Å; M197-L219 HydrophobicContact CB-CD2 4.46Å; M197-L219 HydrophobicContact CG-CB 4.4Å; M197-L219 HydrophobicContact CG-CD1 4.49Å; M197-L219 HydrophobicContact CG-CD2 4.34Å; M197-L219 PolarHBondContact O-N 2.87Å; M197-L219 HydrophobicContact SD-CD2 4.02Å; S217-L219 PolarHBondContact O-N 2.84Å; L219-R221 VanDerWaalsContact C-N 3.34Å; L219-P223 WeakPolarHBondContact O-CD 3.36Å; L219-R247 HydrophobicContact CD1-CB 4.31Å; L219-I248 HydrophobicContact CB-CD1 4.43Å; L219-I248 HydrophobicContact CD1-CD1 4.31Å; L219-A251 HydrophobicContact CD1-CB 3.87Å
220	A	93.9	Very high	88.4	Confident	67 Å²	67	43.9 Å²	43.9	55%	0.554	24%	0.243	S	C	*	.	H	α-helix	trans	-76.7	-20.7	177.1	0	0	0	0	0	113.3	S217 N218	S217-A220 PolarHBondContact O-N 2.75Å; N218-A220 PolarHBondContact O-N 3.4Å; N218-A220 VanDerWaalsContact O-N 3.13Å
221	R	95.8	Very high	89.9	Confident	60 Å²	60	38.5 Å²	38.5	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-96.5	-28.9	-179.8	-64.3	-176	-171.4	178.3	10.1	113.1	Y145 I179 T183 S217 N218 L219 P223 K224	Y145-R221 PolarHBondContact OH-NH1 2.94Å; Y145-R221 PolarHBondContact OH-NH2 2.57Å; I179-R221 HydrophobicContact CG2-CB 3.74Å; T183-R221 HydrophobicContact CG2-CB 4.21Å; S217-R221 PolarHBondContact O-N 3.45Å; N218-R221 CarbonylContact O-C 3.59Å; N218-R221 WeakPolarHBondContact O-CA 3.23Å; N218-R221 PolarHBondContact O-N 2.94Å; L219-R221 VanDerWaalsContact C-N 3.34Å; R221-P223 VanDerWaalsContact C-CD 3.41Å; R221-P223 VanDerWaalsContact C-N 3.3Å; R221-K224 WeakPolarHBondContact O-CA 3.27Å; R221-K224 WeakPolarHBondContact O-CB 3.5Å; R221-K224 PolarHBondContact O-N 3.34Å
222	T	98.1	Very high	91.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-49.9	-41	-178.1	-56.5	0	0	0	0	113.9	N218 K224 I225 I248 A251 V252	N218-T222 PolarHBondContact O-N 2.88Å; N218-T222 PolarHBondContact O-OG1 3.46Å; T222-K224 PolarHBondContact O-N 2.64Å; T222-I225 HydrophobicContact CG2-CD1 4.02Å; T222-I225 WeakPolarHBondContact O-CB 3.4Å; T222-I225 WeakPolarHBondContact O-CG1 3.18Å; T222-I225 PolarHBondContact O-N 3.19Å; T222-I225 VanDerWaalsContact O-N 3.09Å; T222-I248 HydrophobicContact CG2-CG2 4.16Å; T222-I248 WeakPolarHBondContact OG1-CD1 3.48Å; T222-A251 HydrophobicContact CG2-CB 3.88Å; T222-V252 HydrophobicContact CG2-CB 4.34Å; T222-V252 HydrophobicContact CG2-CG2 3.47Å; T222-V252 VanDerWaalsContact CG2-CG2 3.47Å
223	P	97.7	Very high	93.3	Very high	78 Å²	78	27.9 Å²	27.9	51%	0.506	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63.1	-15.1	177.1	-24.4	35.4	0	0	0	115	L219 R221 A251	L219-P223 WeakPolarHBondContact O-CD 3.36Å; R221-P223 VanDerWaalsContact C-CD 3.41Å; R221-P223 VanDerWaalsContact C-N 3.3Å; P223-A251 VanDerWaalsContact CA-O 3.29Å; P223-A251 WeakPolarHBondContact CA-O 3.24Å; P223-A251 HydrophobicContact CG-CB 4.34Å
224	K	97.8	Very high	94.7	Very high	138 Å²	138	26.9 Å²	26.9	60%	0.6	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-94.7	1.3	179.3	-54.6	-178.3	-178.8	-176	0	113	T183 R221 T222 I226	T183-K224 HydrophobicContact CG2-CB 3.76Å; R221-K224 WeakPolarHBondContact O-CA 3.27Å; R221-K224 WeakPolarHBondContact O-CB 3.5Å; R221-K224 PolarHBondContact O-N 3.34Å; T222-K224 PolarHBondContact O-N 2.64Å; K224-I226 PolarHBondContact O-N 3.15Å
225	I	98.4	Very high	95.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	16%	0.156	C	C	.	.			trans	-67.1	130.8	175.2	-65.4	171.2	0	0	0	108.8	I179 A182 T183 V190 T222 T229 L256	I179-I225 HydrophobicContact CG1-CD1 4.16Å; I179-I225 HydrophobicContact CG2-CD1 4.2Å; I179-I225 HydrophobicContact CG2-CG1 4.34Å; A182-I225 HydrophobicContact CB-CG1 4.04Å; A182-I225 HydrophobicContact CB-CG2 4Å; T183-I225 HydrophobicContact CG2-CG1 4.49Å; V190-I225 HydrophobicContact CG2-CG2 4.47Å; T222-I225 HydrophobicContact CG2-CD1 4.02Å; T222-I225 WeakPolarHBondContact O-CB 3.4Å; T222-I225 WeakPolarHBondContact O-CG1 3.18Å; T222-I225 PolarHBondContact O-N 3.19Å; T222-I225 VanDerWaalsContact O-N 3.09Å; I225-T229 VanDerWaalsContact CG2-OG1 3.31Å; I225-T229 WeakPolarHBondContact CG2-OG1 3.41Å; I225-L256 WeakPolarHBondContact O-CD1 3.47Å
226	I	97.5	Very high	96.6	Very high	77 Å²	77	35 Å²	35	40%	0.395	18%	0.181	S	C	.	.			trans	-110.5	12	-175.7	59.9	175.2	0	0	0	113.7	A182 R186 K224	A182-I226 PolarHBondContact O-N 2.94Å; R186-I226 HydrophobicContact CB-CD1 3.95Å; R186-I226 HydrophobicContact CB-CG1 4.17Å; K224-I226 PolarHBondContact O-N 3.15Å
227	S	98.2	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-124.1	151.6	-176.4	-54.4	0	0	0	0	111.5	H185 R186 V187 T229	H185-S227 PolarHBondContact O-OG 3.28Å; R186-S227 WeakPolarHBondContact CA-OG 3.35Å; V187-S227 WeakPolarHBondContact CG2-OG 3.49Å; V187-S227 PolarHBondContact N-OG 2.69Å; S227-T229 PolarHBondContact O-N 2.93Å; S227-T229 PolarHBondContact O-OG1 3.3Å
228	P	98.2	Very high	97.2	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.071	21%	0.21	C	C	.	.			trans	-51.7	127.6	171.1	-26.2	35.8	0	0	0	110.9	A189 V190 L256 L258 L292	A189-P228 CarbonylContact C-O 3.57Å; A189-P228 VanDerWaalsContact CA-O 3.25Å; A189-P228 WeakPolarHBondContact CA-O 3.19Å; V190-P228 PolarHBondContact N-O 2.81Å; P228-L256 CarbonylContact C-O 3.41Å; P228-L256 VanDerWaalsContact CA-O 3.29Å; P228-L256 WeakPolarHBondContact CA-O 3.28Å; P228-L258 HydrophobicContact CB-CD1 3.99Å; P228-L258 HydrophobicContact CB-CD2 4.08Å; P228-L258 HydrophobicContact CB-CG 4.04Å; P228-L292 HydrophobicContact CB-CD1 3.94Å; P228-L292 HydrophobicContact CG-CD1 3.72Å; P228-L292 HydrophobicContact CG-CD2 4.29Å
229	T	98.8	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121	-169	-60	0	0	0	0	111	V190 L192 I225 S227 V252 L256 L258	V190-T229 HydrophobicContact CB-CG2 4.24Å; V190-T229 HydrophobicContact CG1-CG2 4.34Å; V190-T229 CarbonylContact O-C 3.42Å; V190-T229 VanDerWaalsContact O-CA 3.31Å; V190-T229 WeakPolarHBondContact O-CA 3.48Å; L192-T229 HydrophobicContact CD1-CG2 3.82Å; L192-T229 HydrophobicContact CG-CG2 4.08Å; I225-T229 VanDerWaalsContact CG2-OG1 3.31Å; I225-T229 WeakPolarHBondContact CG2-OG1 3.41Å; S227-T229 PolarHBondContact O-N 2.93Å; S227-T229 PolarHBondContact O-OG1 3.3Å; T229-V252 HydrophobicContact CG2-CG2 4.05Å; T229-L256 PolarHBondContact N-O 3.3Å; T229-L258 WeakPolarHBondContact O-CB 3.15Å; T229-L258 PolarHBondContact O-N 3.24Å
230	L	98.8	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.8	170.5	171.1	58.4	0	0	0	109.4	V190 V191 L192 I232 L258 D259 R280 L281 L284	V190-L230 PolarHBondContact O-N 3.18Å; V191-L230 WeakPolarHBondContact CA-O 3.4Å; V191-L230 HydrophobicContact CG1-CD2 4.45Å; V191-L230 HydrophobicContact CG2-CB 4.45Å; V191-L230 HydrophobicContact CG2-CD2 4.39Å; L192-L230 PolarHBondContact N-O 3.34Å; L230-I232 HydrophobicContact CD1-CG1 4.3Å; L230-I232 HydrophobicContact CD2-CD1 4.03Å; L230-I232 HydrophobicContact CD2-CG1 4.16Å; L230-I232 HydrophobicContact CG-CD1 4.37Å; L230-I232 HydrophobicContact CG-CG1 3.96Å; L230-L258 HydrophobicContact CB-CB 4.35Å; L230-L258 HydrophobicContact CB-CD1 4.22Å; L230-D259 WeakPolarHBondContact CD1-O 3.17Å; L230-R280 HydrophobicContact CD1-CG 4.14Å; L230-R280 HydrophobicContact CD2-CG 3.95Å; L230-L281 HydrophobicContact CD2-CD2 4.02Å; L230-L284 HydrophobicContact CD2-CD2 4.15Å
231	V	98.8	Very high	97	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.9	169.9	179.8	0	0	0	0	109.1	L192 P195 I248 C249 P260 L261	L192-V231 HydrophobicContact CB-CG2 4.36Å; L192-V231 HydrophobicContact CD1-CG2 4.39Å; L192-V231 WeakPolarHBondContact O-CA 3.41Å; P195-V231 HydrophobicContact CG-CG1 3.93Å; V231-I248 HydrophobicContact CG2-CG2 4.2Å; V231-C249 WeakPolarHBondContact CB-SG 3.49Å; V231-C249 VanDerWaalsContact CG2-SG 3.59Å; V231-P260 HydrophobicContact CB-CB 4.41Å; V231-P260 CarbonylContact O-C 3.56Å; V231-P260 WeakPolarHBondContact O-CA 3.45Å; V231-L261 PolarHBondContact O-N 3.17Å
232	I	98.8	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.2	175.2	-53.8	179.7	0	0	0	108.2	V191 L192 H193 S194 L230 L261 I263 Y277 L281	V191-I232 HydrophobicContact CG1-CD1 4.01Å; V191-I232 HydrophobicContact CG1-CG1 4.48Å; L192-I232 PolarHBondContact O-N 2.85Å; H193-I232 CarbonylContact C-O 3.43Å; H193-I232 WeakPolarHBondContact CA-O 3.32Å; S194-I232 PolarHBondContact N-O 2.95Å; L230-I232 HydrophobicContact CD1-CG1 4.3Å; L230-I232 HydrophobicContact CD2-CD1 4.03Å; L230-I232 HydrophobicContact CD2-CG1 4.16Å; L230-I232 HydrophobicContact CG-CD1 4.37Å; L230-I232 HydrophobicContact CG-CG1 3.96Å; I232-L261 CarbonylContact C-O 3.55Å; I232-L261 VanDerWaalsContact CA-O 3.24Å; I232-L261 WeakPolarHBondContact CA-O 3.43Å; I232-L261 HydrophobicContact CG1-CB 4.29Å; I232-L261 HydrophobicContact CG2-CB 4.38Å; I232-L261 HydrophobicContact CG2-CD2 4.08Å; I232-L261 HydrophobicContact CG2-CG 4.35Å; I232-I263 HydrophobicContact CG2-CD1 4.22Å; I232-Y277 HydrophobicContact CD1-CD2 4.2Å; I232-Y277 HydrophobicContact CD1-CE2 3.89Å; I232-Y277 HydrophobicContact CG2-CD2 3.93Å; I232-Y277 HydrophobicContact CG2-CE2 4.11Å; I232-L281 HydrophobicContact CD1-CD2 3.97Å; I232-L281 HydrophobicContact CD1-CG 4.29Å
233	H	98.6	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	137.5	179.5	-145	127.8	0	0	0	111.9	D237 V240 G245 L261 F262 I263	H233-D237 IonicContact CD2-OD2 3.56Å; H233-D237 IonicContact NE2-OD2 2.98Å; H233-D237 PolarHBondContact NE2-OD2 2.85Å; H233-V240 PolarHBondContact CE1-O 2.91Å; H233-V240 PolarHBondContact NE2-O 3.34Å; H233-G245 VanDerWaalsContact ND1-CA 3.35Å; H233-G245 WeakPolarHBondContact ND1-CA 3.35Å; H233-G245 PolarHBondContact ND1-N 3.42Å; H233-L261 PolarHBondContact N-O 2.7Å; H233-F262 HydrophobicContact CB-CD1 3.76Å; H233-F262 HydrophobicContact CB-CE1 3.73Å; H233-F262 CarbonylContact O-C 3.58Å; H233-F262 VanDerWaalsContact O-CA 3.24Å; H233-F262 WeakPolarHBondContact O-CA 3.24Å; H233-I263 PolarHBondContact O-N 3.4Å
234	G	98.2	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.4	169.5	0	0	0	0	0	113.2	R236 A266 C271	G234-R236 VanDerWaalsContact C-N 3.28Å; G234-R236 PolarHBondContact O-N 3.17Å; G234-A266 CarbonylContact C-O 3.5Å; G234-A266 WeakPolarHBondContact CA-O 3.33Å; G234-C271 PolarHBondContact N-SG 3.31Å; G234-C271 VanDerWaalsContact N-SG 3.41Å
235	T	98	Very high	96.9	Very high	41 Å²	41	35.3 Å²	35.3	25%	0.252	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.3	-179.4	65.4	0	0	0	0	113.7	F262 I263 D264 G265 A266	T235-F262 HydrophobicContact CG2-CB 4.36Å; T235-I263 PolarHBondContact N-O 3.3Å; T235-I263 PolarHBondContact OG1-O 2.97Å; T235-D264 WeakPolarHBondContact OG1-CA 3.24Å; T235-D264 PolarHBondContact OG1-OD1 3.14Å; T235-G265 PolarHBondContact OG1-N 3.44Å; T235-A266 PolarHBondContact N-O 3.06Å
236	R	97.1	Very high	96.8	Very high	171 Å²	171	40.1 Å²	40.1	65%	0.645	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	25.1	177.6	-59.9	-171.3	-176.9	173	1.8	112.4	G234 E238 A266	G234-R236 VanDerWaalsContact C-N 3.28Å; G234-R236 PolarHBondContact O-N 3.17Å; R236-E238 PolarHBondContact O-N 3.32Å; R236-A266 CarbonylContact C-O 3.48Å; R236-A266 WeakPolarHBondContact CA-O 3.36Å; R236-A266 PolarHBondContact N-O 2.79Å
237	D	96.8	Very high	96.8	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.032	21%	0.205	C	C	.	.			trans	-63.9	107.8	176.5	-170.7	-21	0	0	0	111.5	H233 V239 V240 N241 H268	H233-D237 IonicContact CD2-OD2 3.56Å; H233-D237 IonicContact NE2-OD2 2.98Å; H233-D237 PolarHBondContact NE2-OD2 2.85Å; D237-V239 PolarHBondContact OD1-N 2.85Å; D237-V240 WeakPolarHBondContact CB-O 3.19Å; D237-V240 PolarHBondContact OD1-N 3.2Å; D237-N241 WeakPolarHBondContact O-CA 3.35Å; D237-H268 VanDerWaalsContact CG-ND1 3.27Å; D237-H268 VanDerWaalsContact OD1-CB 3.28Å; D237-H268 WeakPolarHBondContact OD1-CB 3.45Å; D237-H268 IonicContact OD1-CG 3.51Å; D237-H268 IonicContact OD1-ND1 3.34Å; D237-H268 PolarHBondContact OD1-ND1 3.49Å; D237-H268 VanDerWaalsContact OD1-ND1 3.12Å; D237-H268 IonicContact OD2-CE1 2.94Å; D237-H268 IonicContact OD2-CG 3Å; D237-H268 IonicContact OD2-ND1 2.8Å; D237-H268 PolarHBondContact OD2-ND1 3.37Å
238	E	92.5	Very high	96.8	Very high	190 Å²	190	43.9 Å²	43.9	89%	0.888	21%	0.205	S	C	*	.	S	Bend	trans	-86.4	-9.9	179.4	-58.5	-168.1	164.3	0	0	113.6	R236	R236-E238 PolarHBondContact O-N 3.32Å
239	V	90.6	Very high	96.8	Very high	80 Å²	80	44 Å²	44	49%	0.485	21%	0.206	S	C	.	.	S	Bend	trans	-96.5	-52.3	-179	-178.1	0	0	0	0	110.1	D237 H268	D237-V239 PolarHBondContact OD1-N 2.85Å; V239-H268 HydrophobicContact CB-CB 3.9Å; V239-H268 HydrophobicContact CG2-CB 3.78Å
240	V	93.6	Very high	96.7	Very high	4 Å²	4	49 Å²	49	2%	0.024	24%	0.24	C	C	.	.	S	Bend	trans	-121.9	92.3	175.8	-177	0	0	0	0	107.6	P195 L196 V202 H233 D237 V242 H244 H268	P195-V240 WeakPolarHBondContact O-CG1 3.08Å; L196-V240 HydrophobicContact CB-CG1 4.21Å; V202-V240 HydrophobicContact CG1-CG2 4.43Å; V202-V240 HydrophobicContact CG2-CG1 4.48Å; V202-V240 HydrophobicContact CG2-CG2 4.24Å; H233-V240 PolarHBondContact CE1-O 2.91Å; H233-V240 PolarHBondContact NE2-O 3.34Å; D237-V240 WeakPolarHBondContact CB-O 3.19Å; D237-V240 PolarHBondContact OD1-N 3.2Å; V240-V242 PolarHBondContact O-N 3.08Å; V240-H244 HydrophobicContact CG1-CB 3.82Å; V240-H268 VanDerWaalsContact CG2-CE1 3.43Å; V240-H268 WeakPolarHBondContact CG2-CE1 3.18Å
241	N	95	Very high	96.7	Very high	69 Å²	69	50 Å²	50	37%	0.369	25%	0.249	S	C	.	.			trans	-48.6	136.9	-175.8	-177.6	-91	0	0	0	112.6	D237 T243 H244	D237-N241 WeakPolarHBondContact O-CA 3.35Å; N241-T243 PolarHBondContact O-N 3.28Å; N241-T243 VanDerWaalsContact OD1-CB 3.28Å; N241-T243 WeakPolarHBondContact OD1-CB 3.41Å; N241-T243 WeakPolarHBondContact OD1-CG2 3.49Å; N241-T243 PolarHBondContact OD1-N 3.5Å; N241-T243 PolarHBondContact OD1-OG1 3.14Å; N241-H244 WeakPolarHBondContact O-CB 3.43Å; N241-H244 PolarHBondContact O-CD2 3.13Å; N241-H244 PolarHBondContact O-N 3.02Å
242	V	96.6	Very high	96.6	Very high	18 Å²	18	50.4 Å²	50.4	11%	0.109	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-24.9	-176.9	69.4	0	0	0	0	114.7	V240 H244 G245 Y246 F262	V240-V242 PolarHBondContact O-N 3.08Å; V242-H244 PolarHBondContact O-N 3.43Å; V242-H244 VanDerWaalsContact O-N 3.13Å; V242-G245 PolarHBondContact O-N 2.76Å; V242-Y246 HydrophobicContact CB-CE2 4.4Å; V242-Y246 HydrophobicContact CG1-CE2 3.94Å; V242-Y246 HydrophobicContact CG2-CD2 4.3Å; V242-Y246 HydrophobicContact CG2-CE2 3.73Å; V242-Y246 WeakPolarHBondContact O-CD2 3.3Å; V242-Y246 PolarHBondContact O-N 2.85Å; V242-Y246 VanDerWaalsContact O-N 3.14Å; V242-F262 HydrophobicContact CG2-CD1 3.65Å; V242-F262 HydrophobicContact CG2-CE1 3.89Å
243	T	95.8	Very high	96.5	Very high	66 Å²	66	52.1 Å²	52.1	41%	0.405	27%	0.266	S	S	.	.	H	α-helix	trans	-55.5	-28	172.1	57.1	0	0	0	0	113.3	N241 R247	N241-T243 PolarHBondContact O-N 3.28Å; N241-T243 VanDerWaalsContact OD1-CB 3.28Å; N241-T243 WeakPolarHBondContact OD1-CB 3.41Å; N241-T243 WeakPolarHBondContact OD1-CG2 3.49Å; N241-T243 PolarHBondContact OD1-N 3.5Å; N241-T243 PolarHBondContact OD1-OG1 3.14Å; T243-R247 WeakPolarHBondContact O-CB 3.46Å; T243-R247 WeakPolarHBondContact O-CG 3.46Å; T243-R247 PolarHBondContact O-N 3.43Å; T243-R247 VanDerWaalsContact O-N 3.08Å
244	H	97.1	Very high	96.1	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-48.4	173.4	-72.6	-138.4	0	0	0	111.3	P195 L196 M197 V240 N241 V242 Y246 R247 I248	P195-H244 VanDerWaalsContact O-CB 3.23Å; P195-H244 WeakPolarHBondContact O-CB 3.23Å; L196-H244 WeakPolarHBondContact CA-ND1 3.42Å; M197-H244 HydrophobicContact CE-CB 4.31Å; M197-H244 WeakPolarHBondContact CE-CD2 3.49Å; M197-H244 WeakPolarHBondContact CE-NE2 3.45Å; M197-H244 HydrophobicContact CG-CB 4.11Å; M197-H244 PolarHBondContact N-ND1 2.84Å; M197-H244 VanDerWaalsContact N-ND1 3.14Å; V240-H244 HydrophobicContact CG1-CB 3.82Å; N241-H244 WeakPolarHBondContact O-CB 3.43Å; N241-H244 PolarHBondContact O-CD2 3.13Å; N241-H244 PolarHBondContact O-N 3.02Å; V242-H244 PolarHBondContact O-N 3.43Å; V242-H244 VanDerWaalsContact O-N 3.13Å; H244-Y246 PolarHBondContact O-N 2.71Å; H244-R247 PolarHBondContact O-N 3.27Å; H244-I248 WeakPolarHBondContact O-CB 3.14Å; H244-I248 VanDerWaalsContact O-CG1 3.29Å; H244-I248 WeakPolarHBondContact O-CG1 3.44Å; H244-I248 PolarHBondContact O-N 2.94Å
245	G	97.5	Very high	96	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.7	-49.5	175	0	0	0	0	0	112.2	H233 V242 R247 I248 C249	H233-G245 VanDerWaalsContact ND1-CA 3.35Å; H233-G245 WeakPolarHBondContact ND1-CA 3.35Å; H233-G245 PolarHBondContact ND1-N 3.42Å; V242-G245 PolarHBondContact O-N 2.76Å; G245-R247 VanDerWaalsContact C-N 3.33Å; G245-R247 PolarHBondContact O-N 3.07Å; G245-I248 PolarHBondContact O-N 3.47Å; G245-C249 PolarHBondContact O-N 2.96Å; G245-C249 PolarHBondContact O-SG 3.44Å; G245-C249 VanDerWaalsContact O-SG 3.32Å
246	Y	97.4	Very high	95.9	Very high	106 Å²	106	61.8 Å²	61.8	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-42	177.7	-66.1	-46.9	0	0	0	113.3	V242 H244 S250 F262	V242-Y246 HydrophobicContact CB-CE2 4.4Å; V242-Y246 HydrophobicContact CG1-CE2 3.94Å; V242-Y246 HydrophobicContact CG2-CD2 4.3Å; V242-Y246 HydrophobicContact CG2-CE2 3.73Å; V242-Y246 WeakPolarHBondContact O-CD2 3.3Å; V242-Y246 PolarHBondContact O-N 2.85Å; V242-Y246 VanDerWaalsContact O-N 3.14Å; H244-Y246 PolarHBondContact O-N 2.71Å; Y246-S250 PolarHBondContact O-N 3.3Å; Y246-S250 PolarHBondContact O-OG 2.99Å; Y246-F262 HydrophobicContact CD1-CD1 4.17Å; Y246-F262 HydrophobicContact CD1-CD2 4.39Å; Y246-F262 AromaticContact CD1-CE1 3.54Å; Y246-F262 HydrophobicContact CD1-CE1 3.54Å; Y246-F262 AromaticContact CD1-CE2 3.79Å; Y246-F262 HydrophobicContact CD1-CE2 3.79Å; Y246-F262 AromaticContact CD1-CZ 3.32Å; Y246-F262 HydrophobicContact CD1-CZ 3.32Å; Y246-F262 AromaticContact CE1-CD1 3.6Å; Y246-F262 HydrophobicContact CE1-CD1 3.6Å; Y246-F262 AromaticContact CE1-CD2 3.86Å; Y246-F262 HydrophobicContact CE1-CD2 3.86Å; Y246-F262 AromaticContact CE1-CE1 3.47Å; Y246-F262 HydrophobicContact CE1-CE1 3.47Å; Y246-F262 VanDerWaalsContact CE1-CE1 3.47Å; Y246-F262 AromaticContact CE1-CE2 3.73Å; Y246-F262 HydrophobicContact CE1-CE2 3.73Å; Y246-F262 AromaticContact CE1-CG 3.8Å; Y246-F262 HydrophobicContact CE1-CG 3.8Å; Y246-F262 AromaticContact CE1-CZ 3.54Å; Y246-F262 HydrophobicContact CE1-CZ 3.54Å; Y246-F262 HydrophobicContact CG-CE1 4.2Å; Y246-F262 HydrophobicContact CG-CZ 4.22Å; Y246-F262 AromaticContact CZ-CD1 3.99Å
247	R	97	Very high	96	Very high	157 Å²	157	56.4 Å²	56.4	59%	0.592	32%	0.316	S	S	*	.	H	α-helix	trans	-70	-38.5	179.3	-73.2	-70.5	-165.2	167.1	2.1	112.3	M197 L219 T243 H244 G245 S250 A251	M197-R247 HydrophobicContact CE-CG 4.47Å; M197-R247 HydrophobicContact CG-CB 4.02Å; M197-R247 HydrophobicContact SD-CB 3.45Å; M197-R247 WeakPolarHBondContact SD-CB 3.32Å; M197-R247 HydrophobicContact SD-CG 3.66Å; L219-R247 HydrophobicContact CD1-CB 4.31Å; T243-R247 WeakPolarHBondContact O-CB 3.46Å; T243-R247 WeakPolarHBondContact O-CG 3.46Å; T243-R247 PolarHBondContact O-N 3.43Å; T243-R247 VanDerWaalsContact O-N 3.08Å; H244-R247 PolarHBondContact O-N 3.27Å; G245-R247 VanDerWaalsContact C-N 3.33Å; G245-R247 PolarHBondContact O-N 3.07Å; R247-S250 PolarHBondContact O-N 2.92Å; R247-A251 WeakPolarHBondContact O-CB 3.3Å; R247-A251 PolarHBondContact O-N 3.33Å
248	I	98	Very high	96	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-47.1	174.3	-69.6	-70.6	0	0	0	110.2	L192 P195 M197 N218 L219 T222 V231 H244 G245 S250 A251 V252	L192-I248 HydrophobicContact CD1-CG2 3.86Å; P195-I248 HydrophobicContact CB-CG1 4.24Å; P195-I248 HydrophobicContact CB-CG2 4.35Å; P195-I248 HydrophobicContact CG-CB 4.21Å; P195-I248 HydrophobicContact CG-CG1 4.29Å; P195-I248 HydrophobicContact CG-CG2 4.11Å; M197-I248 HydrophobicContact CG-CG1 4.41Å; N218-I248 HydrophobicContact CB-CD1 4.27Å; L219-I248 HydrophobicContact CB-CD1 4.43Å; L219-I248 HydrophobicContact CD1-CD1 4.31Å; T222-I248 HydrophobicContact CG2-CG2 4.16Å; T222-I248 WeakPolarHBondContact OG1-CD1 3.48Å; V231-I248 HydrophobicContact CG2-CG2 4.2Å; H244-I248 WeakPolarHBondContact O-CB 3.14Å; H244-I248 VanDerWaalsContact O-CG1 3.29Å; H244-I248 WeakPolarHBondContact O-CG1 3.44Å; H244-I248 PolarHBondContact O-N 2.94Å; G245-I248 PolarHBondContact O-N 3.47Å; I248-S250 VanDerWaalsContact C-N 3.27Å; I248-S250 PolarHBondContact O-N 3.17Å; I248-A251 PolarHBondContact O-N 3.11Å; I248-V252 PolarHBondContact O-N 2.99Å; I248-V252 VanDerWaalsContact O-N 3.13Å
249	C	97.5	Very high	96.2	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.088	30%	0.295	C	S	.	.	H	α-helix	trans	-52.1	-47	173.5	-71.9	0	0	0	0	111.8	V231 G245 A251 V252 L257	V231-C249 WeakPolarHBondContact CB-SG 3.49Å; V231-C249 VanDerWaalsContact CG2-SG 3.59Å; G245-C249 PolarHBondContact O-N 2.96Å; G245-C249 PolarHBondContact O-SG 3.44Å; G245-C249 VanDerWaalsContact O-SG 3.32Å; C249-A251 PolarHBondContact O-N 3.24Å; C249-V252 PolarHBondContact O-N 2.91Å; C249-L257 HydrophobicContact CB-CD1 4.48Å; C249-L257 HydrophobicContact CB-CD2 4.41Å
250	S	97.4	Very high	96.6	Very high	104 Å²	104	49.3 Å²	49.3	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-66.3	-19.5	-179.8	-56.7	0	0	0	0	113.8	Y246 R247 I248	Y246-S250 PolarHBondContact O-N 3.3Å; Y246-S250 PolarHBondContact O-OG 2.99Å; R247-S250 PolarHBondContact O-N 2.92Å; I248-S250 VanDerWaalsContact C-N 3.27Å; I248-S250 PolarHBondContact O-N 3.17Å
251	A	97.8	Very high	96.8	Very high	21 Å²	21	50.4 Å²	50.4	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-95.8	-14.5	-179.8	0	0	0	0	0	113.3	L219 T222 P223 R247 I248 C249	L219-A251 HydrophobicContact CD1-CB 3.87Å; T222-A251 HydrophobicContact CG2-CB 3.88Å; P223-A251 VanDerWaalsContact CA-O 3.29Å; P223-A251 WeakPolarHBondContact CA-O 3.24Å; P223-A251 HydrophobicContact CG-CB 4.34Å; R247-A251 WeakPolarHBondContact O-CB 3.3Å; R247-A251 PolarHBondContact O-N 3.33Å; I248-A251 PolarHBondContact O-N 3.11Å; C249-A251 PolarHBondContact O-N 3.24Å
252	V	98.2	Very high	97	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	28%	0.283	C	S	.	.	S	Bend	trans	-69.8	137.3	171	177.5	0	0	0	0	108.3	T222 T229 I248 C249 G254 L256 L257	T222-V252 HydrophobicContact CG2-CB 4.34Å; T222-V252 HydrophobicContact CG2-CG2 3.47Å; T222-V252 VanDerWaalsContact CG2-CG2 3.47Å; T229-V252 HydrophobicContact CG2-CG2 4.05Å; I248-V252 PolarHBondContact O-N 2.99Å; I248-V252 VanDerWaalsContact O-N 3.13Å; C249-V252 PolarHBondContact O-N 2.91Å; V252-G254 PolarHBondContact O-N 2.92Å; V252-L256 HydrophobicContact CG1-CB 4.3Å; V252-L257 HydrophobicContact CB-CB 4.28Å; V252-L257 HydrophobicContact CB-CD1 4.19Å; V252-L257 HydrophobicContact CG1-CB 3.88Å; V252-L257 HydrophobicContact CG1-CD1 4.29Å; V252-L257 HydrophobicContact CG2-CD1 4.4Å
253	A	95.6	Very high	97	Very high	37 Å²	37	48.9 Å²	48.9	31%	0.306	28%	0.278	S	S	.	.			trans	-56.7	130.3	175.2	0	0	0	0	0	110.3	N255 L256 L257	A253-N255 PolarHBondContact O-N 2.78Å; A253-N255 VanDerWaalsContact O-N 3.08Å; A253-L256 HydrophobicContact CB-CD1 4.24Å; A253-L256 HydrophobicContact CB-CG 4.43Å; A253-L256 WeakPolarHBondContact O-CA 3.37Å; A253-L256 PolarHBondContact O-N 2.99Å; A253-L257 PolarHBondContact O-N 2.94Å; A253-L257 VanDerWaalsContact O-N 3.1Å
254	G	91.3	Very high	97.1	Very high	72 Å²	72	51.7 Å²	51.7	74%	0.742	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.7	-167.3	0	0	0	0	0	115	V252 L256	V252-G254 PolarHBondContact O-N 2.92Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 2.97Å
255	N	94.3	Very high	97.1	Very high	142 Å²	142	52.5 Å²	52.5	76%	0.759	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.1	175.8	65.4	-51.1	0	0	0	114.2	A253	A253-N255 PolarHBondContact O-N 2.78Å; A253-N255 VanDerWaalsContact O-N 3.08Å
256	L	97.4	Very high	97.1	Very high	30 Å²	30	52.5 Å²	52.5	16%	0.157	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-14.8	178.3	-62.9	179.1	0	0	0	112.4	I225 P228 T229 V252 A253 G254 L258	I225-L256 WeakPolarHBondContact O-CD1 3.47Å; P228-L256 CarbonylContact C-O 3.41Å; P228-L256 VanDerWaalsContact CA-O 3.29Å; P228-L256 WeakPolarHBondContact CA-O 3.28Å; T229-L256 PolarHBondContact N-O 3.3Å; V252-L256 HydrophobicContact CG1-CB 4.3Å; A253-L256 HydrophobicContact CB-CD1 4.24Å; A253-L256 HydrophobicContact CB-CG 4.43Å; A253-L256 WeakPolarHBondContact O-CA 3.37Å; A253-L256 PolarHBondContact O-N 2.99Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 2.97Å; L256-L258 PolarHBondContact O-N 3.34Å
257	L	98.2	Very high	97	Very high	57 Å²	57	48.1 Å²	48.1	30%	0.298	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-71.6	117.1	176.3	-177.8	63.9	0	0	0	109.9	C249 V252 A253	C249-L257 HydrophobicContact CB-CD1 4.48Å; C249-L257 HydrophobicContact CB-CD2 4.41Å; V252-L257 HydrophobicContact CB-CB 4.28Å; V252-L257 HydrophobicContact CB-CD1 4.19Å; V252-L257 HydrophobicContact CG1-CB 3.88Å; V252-L257 HydrophobicContact CG1-CD1 4.29Å; V252-L257 HydrophobicContact CG2-CD1 4.4Å; A253-L257 PolarHBondContact O-N 2.94Å; A253-L257 VanDerWaalsContact O-N 3.1Å
258	L	97.6	Very high	96.9	Very high	23 Å²	23	41.4 Å²	41.4	12%	0.12	26%	0.262	C	S	.	.			trans	-80.2	160	168.2	-60.5	176.1	0	0	0	109.8	P228 T229 L230 L256 P260 L284	P228-L258 HydrophobicContact CB-CD1 3.99Å; P228-L258 HydrophobicContact CB-CD2 4.08Å; P228-L258 HydrophobicContact CB-CG 4.04Å; T229-L258 WeakPolarHBondContact O-CB 3.15Å; T229-L258 PolarHBondContact O-N 3.24Å; L230-L258 HydrophobicContact CB-CB 4.35Å; L230-L258 HydrophobicContact CB-CD1 4.22Å; L256-L258 PolarHBondContact O-N 3.34Å; L258-P260 WeakPolarHBondContact O-CD 3.44Å; L258-L284 HydrophobicContact CD1-CD1 3.59Å
259	D	96.4	Very high	96.7	Very high	65 Å²	65	45.3 Å²	45.3	35%	0.348	28%	0.283	S	S	.	.			trans	-52.6	107.6	178.8	-175.5	27.3	0	0	0	110.6	L230 R280 K283	L230-D259 WeakPolarHBondContact CD1-O 3.17Å; D259-R280 VanDerWaalsContact O-CZ 3.3Å; D259-R280 PolarHBondContact O-NE 3.22Å; D259-R280 PolarHBondContact O-NH2 3.34Å; D259-K283 IonicContact OD2-NZ 2.72Å; D259-K283 PolarHBondContact OD2-NZ 2.98Å
260	P	98.2	Very high	96.6	Very high	40 Å²	40	46.9 Å²	46.9	26%	0.26	29%	0.291	S	S	.	.			trans	-75.3	153.3	-172.1	31.4	-34.7	0	0	0	111	V231 L258 F262	V231-P260 HydrophobicContact CB-CB 4.41Å; V231-P260 CarbonylContact O-C 3.56Å; V231-P260 WeakPolarHBondContact O-CA 3.45Å; L258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-F262 HydrophobicContact CB-CD2 4.39Å; P260-F262 HydrophobicContact CB-CE2 3.91Å; P260-F262 HydrophobicContact CG-CE2 4.17Å
261	L	98.5	Very high	96.4	Very high	27 Å²	27	42 Å²	42	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.5	177.1	176.1	65.3	0	0	0	110.7	V231 I232 H233 I263 Q276 R280	V231-L261 PolarHBondContact O-N 3.17Å; I232-L261 CarbonylContact C-O 3.55Å; I232-L261 VanDerWaalsContact CA-O 3.24Å; I232-L261 WeakPolarHBondContact CA-O 3.43Å; I232-L261 HydrophobicContact CG1-CB 4.29Å; I232-L261 HydrophobicContact CG2-CB 4.38Å; I232-L261 HydrophobicContact CG2-CD2 4.08Å; I232-L261 HydrophobicContact CG2-CG 4.35Å; H233-L261 PolarHBondContact N-O 2.7Å; L261-I263 HydrophobicContact CD1-CG1 4.08Å; L261-I263 HydrophobicContact CD2-CD1 3.83Å; L261-I263 HydrophobicContact CD2-CG1 3.76Å; L261-I263 HydrophobicContact CG-CD1 4.26Å; L261-I263 HydrophobicContact CG-CG1 3.63Å; L261-Q276 HydrophobicContact CD1-CB 4.13Å; L261-Q276 HydrophobicContact CD2-CB 4.41Å; L261-Q276 WeakPolarHBondContact CD2-O 3.37Å; L261-R280 HydrophobicContact CB-CB 4.47Å; L261-R280 HydrophobicContact CB-CG 4.01Å; L261-R280 HydrophobicContact CD2-CB 3.72Å; L261-R280 HydrophobicContact CD2-CG 4.14Å
262	F	98.5	Very high	96.2	Very high	51 Å²	51	42.1 Å²	42.1	22%	0.224	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.7	167.8	-68.5	-87.6	0	0	0	109.1	H233 T235 V242 Y246 P260 D264	H233-F262 HydrophobicContact CB-CD1 3.76Å; H233-F262 HydrophobicContact CB-CE1 3.73Å; H233-F262 CarbonylContact O-C 3.58Å; H233-F262 VanDerWaalsContact O-CA 3.24Å; H233-F262 WeakPolarHBondContact O-CA 3.24Å; T235-F262 HydrophobicContact CG2-CB 4.36Å; V242-F262 HydrophobicContact CG2-CD1 3.65Å; V242-F262 HydrophobicContact CG2-CE1 3.89Å; Y246-F262 HydrophobicContact CD1-CD1 4.17Å; Y246-F262 HydrophobicContact CD1-CD2 4.39Å; Y246-F262 AromaticContact CD1-CE1 3.54Å; Y246-F262 HydrophobicContact CD1-CE1 3.54Å; Y246-F262 AromaticContact CD1-CE2 3.79Å; Y246-F262 HydrophobicContact CD1-CE2 3.79Å; Y246-F262 AromaticContact CD1-CZ 3.32Å; Y246-F262 HydrophobicContact CD1-CZ 3.32Å; Y246-F262 AromaticContact CE1-CD1 3.6Å; Y246-F262 HydrophobicContact CE1-CD1 3.6Å; Y246-F262 AromaticContact CE1-CD2 3.86Å; Y246-F262 HydrophobicContact CE1-CD2 3.86Å; Y246-F262 AromaticContact CE1-CE1 3.47Å; Y246-F262 HydrophobicContact CE1-CE1 3.47Å; Y246-F262 VanDerWaalsContact CE1-CE1 3.47Å; Y246-F262 AromaticContact CE1-CE2 3.73Å; Y246-F262 HydrophobicContact CE1-CE2 3.73Å; Y246-F262 AromaticContact CE1-CG 3.8Å; Y246-F262 HydrophobicContact CE1-CG 3.8Å; Y246-F262 AromaticContact CE1-CZ 3.54Å; Y246-F262 HydrophobicContact CE1-CZ 3.54Å; Y246-F262 HydrophobicContact CG-CE1 4.2Å; Y246-F262 HydrophobicContact CG-CZ 4.22Å; Y246-F262 AromaticContact CZ-CD1 3.99Å; P260-F262 HydrophobicContact CB-CD2 4.39Å; P260-F262 HydrophobicContact CB-CE2 3.91Å; P260-F262 HydrophobicContact CG-CE2 4.17Å; F262-D264 PolarHBondContact O-N 3Å
263	I	98.1	Very high	96	Very high	4 Å²	4	45 Å²	45	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.8	-172.5	-53.8	-179.7	0	0	0	108.9	I232 H233 T235 L261 G265 A266 C271 F274 Y277	I232-I263 HydrophobicContact CG2-CD1 4.22Å; H233-I263 PolarHBondContact O-N 3.4Å; T235-I263 PolarHBondContact N-O 3.3Å; T235-I263 PolarHBondContact OG1-O 2.97Å; L261-I263 HydrophobicContact CD1-CG1 4.08Å; L261-I263 HydrophobicContact CD2-CD1 3.83Å; L261-I263 HydrophobicContact CD2-CG1 3.76Å; L261-I263 HydrophobicContact CG-CD1 4.26Å; L261-I263 HydrophobicContact CG-CG1 3.63Å; I263-G265 PolarHBondContact O-N 3.04Å; I263-A266 HydrophobicContact CB-CB 3.86Å; I263-A266 HydrophobicContact CG2-CB 3.69Å; I263-A266 PolarHBondContact O-N 3.06Å; I263-C271 HydrophobicContact CD1-CB 3.93Å; I263-F274 HydrophobicContact CD1-CB 4.31Å; I263-F274 HydrophobicContact CG2-CB 3.63Å; I263-F274 HydrophobicContact CG2-CD1 3.53Å; I263-F274 HydrophobicContact CG2-CD2 3.98Å; I263-F274 HydrophobicContact CG2-CE1 4.14Å; I263-F274 HydrophobicContact CG2-CG 3.44Å; I263-F274 VanDerWaalsContact CG2-CG 3.44Å; I263-Y277 HydrophobicContact CD1-CD2 4.25Å
264	D	97.6	Very high	96	Very high	125 Å²	125	45.8 Å²	45.8	67%	0.668	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	127.1	179.8	-168	42.5	0	0	0	111.4	T235 F262 A266	T235-D264 WeakPolarHBondContact OG1-CA 3.24Å; T235-D264 PolarHBondContact OG1-OD1 3.14Å; F262-D264 PolarHBondContact O-N 3Å; D264-A266 VanDerWaalsContact C-N 3.35Å; D264-A266 PolarHBondContact O-N 3.17Å
265	G	96.7	Very high	96.2	Very high	20 Å²	20	46.5 Å²	46.5	21%	0.206	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-21.2	179.3	0	0	0	0	0	115.2	T235 I263	T235-G265 PolarHBondContact OG1-N 3.44Å; I263-G265 PolarHBondContact O-N 3.04Å
266	A	97.3	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.			trans	-71.9	139.9	178.6	0	0	0	0	0	112	G234 T235 R236 I263 D264 F274	G234-A266 CarbonylContact C-O 3.5Å; G234-A266 WeakPolarHBondContact CA-O 3.33Å; T235-A266 PolarHBondContact N-O 3.06Å; R236-A266 CarbonylContact C-O 3.48Å; R236-A266 WeakPolarHBondContact CA-O 3.36Å; R236-A266 PolarHBondContact N-O 2.79Å; I263-A266 HydrophobicContact CB-CB 3.86Å; I263-A266 HydrophobicContact CG2-CB 3.69Å; I263-A266 PolarHBondContact O-N 3.06Å; D264-A266 VanDerWaalsContact C-N 3.35Å; D264-A266 PolarHBondContact O-N 3.17Å; A266-F274 HydrophobicContact CB-CD2 3.75Å; A266-F274 HydrophobicContact CB-CE2 3.47Å; A266-F274 VanDerWaalsContact CB-CE2 3.47Å; A266-F274 HydrophobicContact CB-CG 4.5Å; A266-F274 HydrophobicContact CB-CZ 3.98Å
267	G	96.4	Very high	96.3	Very high	13 Å²	13	42.7 Å²	42.7	13%	0.134	23%	0.233	C	C	.	.			trans	-86.3	-153.2	164.9	0	0	0	0	0	114	D270 C271	G267-D270 WeakPolarHBondContact CA-OD1 3.08Å; G267-D270 VanDerWaalsContact N-CG 3.28Å; G267-D270 PolarHBondContact N-OD1 2.9Å; G267-D270 PolarHBondContact N-OD2 3.44Å; G267-D270 VanDerWaalsContact N-OD2 3.14Å; G267-C271 PolarHBondContact O-SG 2.81Å; G267-C271 VanDerWaalsContact O-SG 3.37Å
268	H	94.9	Very high	96.3	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.074	23%	0.23	C	C	.	.	S	Bend	trans	-79.2	-32.3	-173.1	-162.5	64.9	0	0	0	114.2	S172 D237 V239 V240	S172-H268 WeakPolarHBondContact CB-NE2 3.22Å; S172-H268 PolarHBondContact OG-CE1 2.91Å; S172-H268 PolarHBondContact OG-NE2 2.84Å; D237-H268 VanDerWaalsContact CG-ND1 3.27Å; D237-H268 VanDerWaalsContact OD1-CB 3.28Å; D237-H268 WeakPolarHBondContact OD1-CB 3.45Å; D237-H268 IonicContact OD1-CG 3.51Å; D237-H268 IonicContact OD1-ND1 3.34Å; D237-H268 PolarHBondContact OD1-ND1 3.49Å; D237-H268 VanDerWaalsContact OD1-ND1 3.12Å; D237-H268 IonicContact OD2-CE1 2.94Å; D237-H268 IonicContact OD2-CG 3Å; D237-H268 IonicContact OD2-ND1 2.8Å; D237-H268 PolarHBondContact OD2-ND1 3.37Å; V239-H268 HydrophobicContact CB-CB 3.9Å; V239-H268 HydrophobicContact CG2-CB 3.78Å; V240-H268 VanDerWaalsContact CG2-CE1 3.43Å; V240-H268 WeakPolarHBondContact CG2-CE1 3.18Å
269	N	92.6	Very high	96.3	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.444	25%	0.253	S	S	.	.	S	Bend	trans	-122.3	10.6	-166.2	-60.3	-41.7	0	0	0	113.1
270	D	94.8	Very high	96.3	Very high	46 Å²	46	44.2 Å²	44.2	25%	0.246	24%	0.239	C	C	.	.			trans	-127.7	4.3	-173.9	65.5	-9.2	0	0	0	112.3	G267 E272 L273 F274	G267-D270 WeakPolarHBondContact CA-OD1 3.08Å; G267-D270 VanDerWaalsContact N-CG 3.28Å; G267-D270 PolarHBondContact N-OD1 2.9Å; G267-D270 PolarHBondContact N-OD2 3.44Å; G267-D270 VanDerWaalsContact N-OD2 3.14Å; D270-E272 PolarHBondContact O-N 3.07Å; D270-L273 HydrophobicContact CB-CD1 3.67Å; D270-L273 HydrophobicContact CB-CG 3.97Å; D270-L273 VanDerWaalsContact O-CB 3.23Å; D270-L273 WeakPolarHBondContact O-CB 3.2Å; D270-L273 VanDerWaalsContact O-CG 3.27Å; D270-L273 WeakPolarHBondContact O-CG 3.13Å; D270-L273 PolarHBondContact O-N 2.96Å; D270-F274 VanDerWaalsContact O-CD2 3.27Å; D270-F274 WeakPolarHBondContact O-CD2 3.28Å
271	C	94.9	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.2	-36.6	178.4	-79.4	0	0	0	0	111.2	H193 G234 I263 G267 L273 F274 Y277	H193-C271 WeakPolarHBondContact NE2-CB 3.25Å; G234-C271 PolarHBondContact N-SG 3.31Å; G234-C271 VanDerWaalsContact N-SG 3.41Å; I263-C271 HydrophobicContact CD1-CB 3.93Å; G267-C271 PolarHBondContact O-SG 2.81Å; G267-C271 VanDerWaalsContact O-SG 3.37Å; C271-L273 PolarHBondContact O-N 3.18Å; C271-F274 PolarHBondContact O-N 3.3Å; C271-Y277 HydrophobicContact CB-CD2 4.25Å; C271-Y277 VanDerWaalsContact O-CB 3.23Å; C271-Y277 WeakPolarHBondContact O-CB 3.5Å
272	E	93.7	Very high	96.3	Very high	24 Å²	24	43.2 Å²	43.2	11%	0.112	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.6	177.4	-59.5	84.1	174.1	0	0	113.4	F112 Q171 H193 D270 F274 Y277 F500	F112-E272 HydrophobicContact CD2-CG 4.18Å; F112-E272 HydrophobicContact CE2-CG 3.64Å; Q171-E272 PolarHBondContact NE2-OE1 3.4Å; H193-E272 IonicContact CE1-OE1 2.73Å; H193-E272 PolarHBondContact CE1-OE1 3.49Å; H193-E272 IonicContact CE1-OE2 2.84Å; H193-E272 IonicContact ND1-OE1 3.12Å; D270-E272 PolarHBondContact O-N 3.07Å; E272-F274 VanDerWaalsContact C-N 3.25Å; E272-F274 PolarHBondContact O-N 3.07Å; E272-Y277 HydrophobicContact CB-CD1 4.41Å; E272-Y277 HydrophobicContact CB-CE1 4.41Å; E272-Y277 HydrophobicContact CG-CD1 4.42Å; E272-Y277 HydrophobicContact CG-CE1 3.98Å; E272-Y277 HydrophobicContact CG-CE2 4.44Å; E272-F500 HydrophobicContact CB-CE1 4.5Å; E272-F500 HydrophobicContact CB-CE2 4.14Å; E272-F500 HydrophobicContact CB-CZ 3.93Å; E272-F500 VanDerWaalsContact O-CE2 3.23Å; E272-F500 WeakPolarHBondContact O-CE2 3.4Å
273	L	92.6	Very high	96.3	Very high	69 Å²	69	44.7 Å²	44.7	36%	0.361	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-73.5	-20.5	179.1	-48	-171.9	0	0	0	112.4	D270 C271 F500 S503	D270-L273 HydrophobicContact CB-CD1 3.67Å; D270-L273 HydrophobicContact CB-CG 3.97Å; D270-L273 VanDerWaalsContact O-CB 3.23Å; D270-L273 WeakPolarHBondContact O-CB 3.2Å; D270-L273 VanDerWaalsContact O-CG 3.27Å; D270-L273 WeakPolarHBondContact O-CG 3.13Å; D270-L273 PolarHBondContact O-N 2.96Å; C271-L273 PolarHBondContact O-N 3.18Å; L273-F500 HydrophobicContact CD2-CB 3.09Å; L273-F500 HydrophobicContact CD2-CD1 4.05Å; L273-F500 HydrophobicContact CD2-CD2 3.69Å; L273-F500 HydrophobicContact CD2-CG 3.39Å; L273-F500 HydrophobicContact CG-CB 4.5Å; L273-S503 WeakPolarHBondContact CD2-OG 3.34Å
274	F	96	Very high	96.3	Very high	55 Å²	55	44.5 Å²	44.5	24%	0.241	24%	0.239	C	C	.	.	S	Bend	trans	-87.3	127.4	-176.5	-75	-101.3	0	0	0	110.1	I263 A266 D270 C271 E272 Q276 Y277	I263-F274 HydrophobicContact CD1-CB 4.31Å; I263-F274 HydrophobicContact CG2-CB 3.63Å; I263-F274 HydrophobicContact CG2-CD1 3.53Å; I263-F274 HydrophobicContact CG2-CD2 3.98Å; I263-F274 HydrophobicContact CG2-CE1 4.14Å; I263-F274 HydrophobicContact CG2-CG 3.44Å; I263-F274 VanDerWaalsContact CG2-CG 3.44Å; A266-F274 HydrophobicContact CB-CD2 3.75Å; A266-F274 HydrophobicContact CB-CE2 3.47Å; A266-F274 VanDerWaalsContact CB-CE2 3.47Å; A266-F274 HydrophobicContact CB-CG 4.5Å; A266-F274 HydrophobicContact CB-CZ 3.98Å; D270-F274 VanDerWaalsContact O-CD2 3.27Å; D270-F274 WeakPolarHBondContact O-CD2 3.28Å; C271-F274 PolarHBondContact O-N 3.3Å; E272-F274 VanDerWaalsContact C-N 3.25Å; E272-F274 PolarHBondContact O-N 3.07Å; F274-Q276 PolarHBondContact O-N 2.99Å; F274-Y277 WeakPolarHBondContact O-CB 3.28Å; F274-Y277 PolarHBondContact O-N 2.79Å
275	P	95.3	Very high	96.2	Very high	87 Å²	87	39.5 Å²	39.5	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-55.3	-30.5	-178.6	-27.4	34.4	0	0	0	114.2	Y277 L278 L279	P275-Y277 PolarHBondContact O-N 3.39Å; P275-L278 PolarHBondContact O-N 3.27Å; P275-L279 WeakPolarHBondContact O-CG 3.05Å; P275-L279 PolarHBondContact O-N 2.86Å
276	Q	96.7	Very high	96.2	Very high	84 Å²	84	42.7 Å²	42.7	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-57.1	-33.2	177.4	-61	83.8	-9.1	0	0	112	L261 F274 R280	L261-Q276 HydrophobicContact CD1-CB 4.13Å; L261-Q276 HydrophobicContact CD2-CB 4.41Å; L261-Q276 WeakPolarHBondContact CD2-O 3.37Å; F274-Q276 PolarHBondContact O-N 2.99Å; Q276-R280 VanDerWaalsContact O-CB 3.3Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.11Å
277	Y	97.9	Very high	96.1	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-55.8	178.5	179.9	-90.3	0	0	0	111.4	Y169 H193 I232 I263 C271 E272 F274 P275 R280 L281	Y169-Y277 WeakPolarHBondContact CE2-OH 3.45Å; Y169-Y277 PolarHBondContact OH-OH 3.41Å; H193-Y277 AromaticContact CE1-CE2 3.65Å; H193-Y277 AromaticContact ND1-CE2 3.73Å; I232-Y277 HydrophobicContact CD1-CD2 4.2Å; I232-Y277 HydrophobicContact CD1-CE2 3.89Å; I232-Y277 HydrophobicContact CG2-CD2 3.93Å; I232-Y277 HydrophobicContact CG2-CE2 4.11Å; I263-Y277 HydrophobicContact CD1-CD2 4.25Å; C271-Y277 HydrophobicContact CB-CD2 4.25Å; C271-Y277 VanDerWaalsContact O-CB 3.23Å; C271-Y277 WeakPolarHBondContact O-CB 3.5Å; E272-Y277 HydrophobicContact CB-CD1 4.41Å; E272-Y277 HydrophobicContact CB-CE1 4.41Å; E272-Y277 HydrophobicContact CG-CD1 4.42Å; E272-Y277 HydrophobicContact CG-CE1 3.98Å; E272-Y277 HydrophobicContact CG-CE2 4.44Å; F274-Y277 WeakPolarHBondContact O-CB 3.28Å; F274-Y277 PolarHBondContact O-N 2.79Å; P275-Y277 PolarHBondContact O-N 3.39Å; Y277-R280 PolarHBondContact O-N 3.12Å; Y277-L281 HydrophobicContact CD1-CD1 4.08Å; Y277-L281 HydrophobicContact CE1-CD1 3.42Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.42Å; Y277-L281 HydrophobicContact CE2-CD1 4.4Å; Y277-L281 PolarHBondContact O-N 2.78Å
278	L	96.7	Very high	96.1	Very high	45 Å²	45	45.9 Å²	45.9	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-44.8	179.9	-176.9	63.7	0	0	0	110.9	K119 L120 P275 R280 L281 T282	K119-L278 HydrophobicContact CB-CD1 3.89Å; K119-L278 HydrophobicContact CB-CD2 4.21Å; K119-L278 HydrophobicContact CD-CD1 4.46Å; K119-L278 HydrophobicContact CD-CD2 3.91Å; K119-L278 HydrophobicContact CG-CD2 4.36Å; L120-L278 HydrophobicContact CD2-CD1 3.83Å; L120-L278 HydrophobicContact CG-CD1 4.26Å; P275-L278 PolarHBondContact O-N 3.27Å; L278-R280 VanDerWaalsContact C-N 3.25Å; L278-R280 PolarHBondContact O-N 3.41Å; L278-L281 PolarHBondContact O-N 3.49Å; L278-L281 VanDerWaalsContact O-N 3.14Å; L278-T282 PolarHBondContact O-N 3.06Å; L278-T282 PolarHBondContact O-OG1 2.77Å
279	L	97.6	Very high	96.1	Very high	117 Å²	117	45.5 Å²	45.5	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-56.2	-40.2	178.1	-72.1	172.6	0	0	0	112.3	P275 T282 K283	P275-L279 WeakPolarHBondContact O-CG 3.05Å; P275-L279 PolarHBondContact O-N 2.86Å; L279-T282 PolarHBondContact O-N 2.96Å; L279-K283 PolarHBondContact O-N 3.44Å
280	R	98.2	Very high	96.1	Very high	15 Å²	15	44.1 Å²	44.1	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-41.1	178.8	179.4	63.9	-169.1	92.9	-12.7	112.4	L230 D259 L261 Q276 Y277 L278 K283 L284 E288	L230-R280 HydrophobicContact CD1-CG 4.14Å; L230-R280 HydrophobicContact CD2-CG 3.95Å; D259-R280 VanDerWaalsContact O-CZ 3.3Å; D259-R280 PolarHBondContact O-NE 3.22Å; D259-R280 PolarHBondContact O-NH2 3.34Å; L261-R280 HydrophobicContact CB-CB 4.47Å; L261-R280 HydrophobicContact CB-CG 4.01Å; L261-R280 HydrophobicContact CD2-CB 3.72Å; L261-R280 HydrophobicContact CD2-CG 4.14Å; Q276-R280 VanDerWaalsContact O-CB 3.3Å; Q276-R280 WeakPolarHBondContact O-CB 3.29Å; Q276-R280 PolarHBondContact O-N 3.11Å; Y277-R280 PolarHBondContact O-N 3.12Å; L278-R280 VanDerWaalsContact C-N 3.25Å; L278-R280 PolarHBondContact O-N 3.41Å; R280-K283 PolarHBondContact O-N 3.25Å; R280-L284 PolarHBondContact O-N 3.26Å; R280-E288 IonicContact CZ-OE1 3.75Å; R280-E288 IonicContact CZ-OE2 3.98Å; R280-E288 IonicContact NH1-OE1 3.24Å; R280-E288 IonicContact NH1-OE2 3.9Å; R280-E288 PolarHBondContact NH1-OE2 3.38Å; R280-E288 IonicContact NH2-OE1 3.65Å; R280-E288 PolarHBondContact NH2-OE1 3.13Å; R280-E288 IonicContact NH2-OE2 3.56Å; R280-E288 PolarHBondContact NH2-OE2 2.69Å
281	L	98.3	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-37.3	176.2	-68.5	177.8	0	0	0	111.7	L116 L120 V191 L230 I232 Y277 L278 L284 V285	L116-L281 HydrophobicContact CD1-CD1 3.83Å; L120-L281 HydrophobicContact CD1-CB 3.89Å; L120-L281 HydrophobicContact CD1-CD1 4.39Å; L120-L281 HydrophobicContact CD2-CB 4.06Å; V191-L281 HydrophobicContact CG1-CD2 4.13Å; V191-L281 HydrophobicContact CG2-CD2 4.21Å; L230-L281 HydrophobicContact CD2-CD2 4.02Å; I232-L281 HydrophobicContact CD1-CD2 3.97Å; I232-L281 HydrophobicContact CD1-CG 4.29Å; Y277-L281 HydrophobicContact CD1-CD1 4.08Å; Y277-L281 HydrophobicContact CE1-CD1 3.42Å; Y277-L281 VanDerWaalsContact CE1-CD1 3.42Å; Y277-L281 HydrophobicContact CE2-CD1 4.4Å; Y277-L281 PolarHBondContact O-N 2.78Å; L278-L281 PolarHBondContact O-N 3.49Å; L278-L281 VanDerWaalsContact O-N 3.14Å; L281-L284 HydrophobicContact CD2-CD2 4.44Å; L281-L284 WeakPolarHBondContact O-CB 3.24Å; L281-L284 PolarHBondContact O-N 2.53Å; L281-V285 WeakPolarHBondContact O-CG2 3.18Å; L281-V285 PolarHBondContact O-N 2.77Å
282	T	97.7	Very high	95.7	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-47.7	171.3	-59	0	0	0	0	110.4	L120 L278 L279 L284 V285 T286	L120-T282 WeakPolarHBondContact CD2-OG1 3.42Å; L278-T282 PolarHBondContact O-N 3.06Å; L278-T282 PolarHBondContact O-OG1 2.77Å; L279-T282 PolarHBondContact O-N 2.96Å; T282-L284 VanDerWaalsContact C-N 3.28Å; T282-L284 PolarHBondContact O-N 3.18Å; T282-V285 PolarHBondContact O-N 2.79Å; T282-V285 VanDerWaalsContact O-N 3.14Å; T282-T286 HydrophobicContact CG2-CG2 4Å; T282-T286 PolarHBondContact O-N 2.73Å; T282-T286 PolarHBondContact O-OG1 3.12Å
283	K	98	Very high	95.2	Very high	81 Å²	81	54.8 Å²	54.8	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-55.9	-41.5	174.1	177.1	-176.4	171.7	-172.9	0	112.3	D259 L279 R280 V287 E288	D259-K283 IonicContact OD2-NZ 2.72Å; D259-K283 PolarHBondContact OD2-NZ 2.98Å; L279-K283 PolarHBondContact O-N 3.44Å; R280-K283 PolarHBondContact O-N 3.25Å; K283-V287 HydrophobicContact CG-CB 4.48Å; K283-V287 WeakPolarHBondContact O-CA 3.27Å; K283-V287 WeakPolarHBondContact O-CB 3.23Å; K283-V287 PolarHBondContact O-N 3.33Å; K283-E288 WeakPolarHBondContact CE-OE1 3.27Å; K283-E288 HydrophobicContact CG-CG 4.41Å; K283-E288 PolarHBondContact O-N 2.92Å
284	L	97.9	Very high	94.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-58.7	-52.4	175.6	171.8	64.4	0	0	0	110.9	A189 V191 L230 L258 R280 L281 T282 E288 L289	A189-L284 HydrophobicContact CB-CD1 4.03Å; V191-L284 HydrophobicContact CG2-CD2 3.59Å; L230-L284 HydrophobicContact CD2-CD2 4.15Å; L258-L284 HydrophobicContact CD1-CD1 3.59Å; R280-L284 PolarHBondContact O-N 3.26Å; L281-L284 HydrophobicContact CD2-CD2 4.44Å; L281-L284 WeakPolarHBondContact O-CB 3.24Å; L281-L284 PolarHBondContact O-N 2.53Å; T282-L284 VanDerWaalsContact C-N 3.28Å; T282-L284 PolarHBondContact O-N 3.18Å; L284-E288 WeakPolarHBondContact CA-OE2 3.23Å; L284-E288 HydrophobicContact CD1-CB 4.32Å; L284-E288 PolarHBondContact O-N 3.3Å; L284-L289 HydrophobicContact CD1-CD2 4.35Å; L284-L289 HydrophobicContact CD1-CG 4.02Å; L284-L289 HydrophobicContact CG-CD1 4.38Å; L284-L289 HydrophobicContact CG-CG 4.34Å; L284-L289 WeakPolarHBondContact O-CB 3.27Å; L284-L289 WeakPolarHBondContact O-CG 3Å; L284-L289 PolarHBondContact O-N 3.04Å
285	V	96.8	Very high	93.8	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	31%	0.31	C	S	.	.	I	π-helix	trans	-71.3	-42.4	-173.8	174.6	0	0	0	0	112.6	L94 F96 L120 V122 L281 T282 P290	L94-V285 HydrophobicContact CD2-CB 4.48Å; L94-V285 HydrophobicContact CD2-CG1 4.01Å; L94-V285 HydrophobicContact CD2-CG2 4.01Å; F96-V285 HydrophobicContact CE2-CG2 4.02Å; F96-V285 HydrophobicContact CZ-CG2 3.81Å; L120-V285 HydrophobicContact CD1-CG2 4.39Å; V122-V285 HydrophobicContact CG1-CG1 4.01Å; V122-V285 HydrophobicContact CG1-CG2 4.38Å; L281-V285 WeakPolarHBondContact O-CG2 3.18Å; L281-V285 PolarHBondContact O-N 2.77Å; T282-V285 PolarHBondContact O-N 2.79Å; T282-V285 VanDerWaalsContact O-N 3.14Å; V285-P290 WeakPolarHBondContact O-CD 3.23Å
286	T	95.4	Very high	92.8	Very high	87 Å²	87	57.1 Å²	57.1	53%	0.534	30%	0.295	S	S	.	.	I	π-helix	trans	-96.3	-19.8	-169.9	66.7	0	0	0	0	114.1	T282	T282-T286 HydrophobicContact CG2-CG2 4Å; T282-T286 PolarHBondContact O-N 2.73Å; T282-T286 PolarHBondContact O-OG1 3.12Å
287	V	95.6	Very high	91.3	Very high	53 Å²	53	57.5 Å²	57.5	32%	0.321	30%	0.3	S	S	.	.	I	π-helix	trans	-119.5	-54.5	-176.7	-175.7	0	0	0	0	112.2	K283 R291	K283-V287 HydrophobicContact CG-CB 4.48Å; K283-V287 WeakPolarHBondContact O-CA 3.27Å; K283-V287 WeakPolarHBondContact O-CB 3.23Å; K283-V287 PolarHBondContact O-N 3.33Å; V287-R291 WeakPolarHBondContact O-CD 3.47Å; V287-R291 VanDerWaalsContact O-CG 3.26Å; V287-R291 WeakPolarHBondContact O-CG 3.18Å
288	E	96	Very high	88.8	Confident	27 Å²	27	61.3 Å²	61.3	13%	0.126	33%	0.326	C	S	.	.	I	π-helix	trans	-73.9	-49.6	-170.4	-63.2	174.5	157.9	0	0	111.8	R280 K283 L284 R291 L292	R280-E288 IonicContact CZ-OE1 3.75Å; R280-E288 IonicContact CZ-OE2 3.98Å; R280-E288 IonicContact NH1-OE1 3.24Å; R280-E288 IonicContact NH1-OE2 3.9Å; R280-E288 PolarHBondContact NH1-OE2 3.38Å; R280-E288 IonicContact NH2-OE1 3.65Å; R280-E288 PolarHBondContact NH2-OE1 3.13Å; R280-E288 IonicContact NH2-OE2 3.56Å; R280-E288 PolarHBondContact NH2-OE2 2.69Å; K283-E288 WeakPolarHBondContact CE-OE1 3.27Å; K283-E288 HydrophobicContact CG-CG 4.41Å; K283-E288 PolarHBondContact O-N 2.92Å; L284-E288 WeakPolarHBondContact CA-OE2 3.23Å; L284-E288 HydrophobicContact CD1-CB 4.32Å; L284-E288 PolarHBondContact O-N 3.3Å; E288-R291 PolarHBondContact O-N 2.8Å; E288-L292 WeakPolarHBondContact O-CD1 3.5Å; E288-L292 VanDerWaalsContact O-CG 3.24Å; E288-L292 WeakPolarHBondContact O-CG 3.38Å; E288-L292 PolarHBondContact O-N 2.98Å
289	L	95	Very high	86.7	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-46.8	-178.6	-73	-179.6	0	0	0	113.7	L94 V167 A188 A189 L284 R291 L292 L293	L94-L289 HydrophobicContact CD1-CD1 3.96Å; L94-L289 HydrophobicContact CD2-CD1 3.48Å; L94-L289 VanDerWaalsContact CD2-CD1 3.48Å; L94-L289 HydrophobicContact CG-CD1 4.39Å; V167-L289 HydrophobicContact CG2-CD1 3.85Å; A188-L289 HydrophobicContact CB-CD2 3.98Å; A188-L289 VanDerWaalsContact O-CD2 3.25Å; A188-L289 WeakPolarHBondContact O-CD2 3.04Å; A189-L289 HydrophobicContact CB-CD2 3.76Å; L284-L289 HydrophobicContact CD1-CD2 4.35Å; L284-L289 HydrophobicContact CD1-CG 4.02Å; L284-L289 HydrophobicContact CG-CD1 4.38Å; L284-L289 HydrophobicContact CG-CG 4.34Å; L284-L289 WeakPolarHBondContact O-CB 3.27Å; L284-L289 WeakPolarHBondContact O-CG 3Å; L284-L289 PolarHBondContact O-N 3.04Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 2.89Å; L289-L292 HydrophobicContact CD2-CD1 4.33Å; L289-L292 PolarHBondContact O-N 3.37Å; L289-L293 WeakPolarHBondContact O-CG 3.21Å; L289-L293 PolarHBondContact O-N 3.37Å
290	P	93.4	Very high	84.2	Confident	54 Å²	54	64.1 Å²	64.1	35%	0.351	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-41.2	175.9	-27.9	37.2	0	0	0	113.1	V285 L293 L294	V285-P290 WeakPolarHBondContact O-CD 3.23Å; P290-L293 PolarHBondContact O-N 3.26Å; P290-L294 WeakPolarHBondContact O-CD1 3.28Å; P290-L294 WeakPolarHBondContact O-CG 3.47Å; P290-L294 PolarHBondContact O-N 3.29Å
291	R	92.1	Very high	81.4	Confident	166 Å²	166	69.7 Å²	69.7	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-41.6	176.9	-73.2	177.2	176.8	-179	-0.8	112.4	V287 E288 L289 L293 L294 N295	V287-R291 WeakPolarHBondContact O-CD 3.47Å; V287-R291 VanDerWaalsContact O-CG 3.26Å; V287-R291 WeakPolarHBondContact O-CG 3.18Å; E288-R291 PolarHBondContact O-N 2.8Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 2.89Å; R291-L293 VanDerWaalsContact C-N 3.31Å; R291-L293 PolarHBondContact O-N 3.2Å; R291-L294 PolarHBondContact O-N 3.25Å; R291-N295 PolarHBondContact O-N 2.95Å
292	L	88.6	Confident	78.9	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.304	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-36.1	178.4	-70.7	164.8	0	0	0	112.2	P228 E288 L289 S296	P228-L292 HydrophobicContact CB-CD1 3.94Å; P228-L292 HydrophobicContact CG-CD1 3.72Å; P228-L292 HydrophobicContact CG-CD2 4.29Å; E288-L292 WeakPolarHBondContact O-CD1 3.5Å; E288-L292 VanDerWaalsContact O-CG 3.24Å; E288-L292 WeakPolarHBondContact O-CG 3.38Å; E288-L292 PolarHBondContact O-N 2.98Å; L289-L292 HydrophobicContact CD2-CD1 4.33Å; L289-L292 PolarHBondContact O-N 3.37Å; L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 PolarHBondContact O-OG 3.22Å
293	L	83.1	Confident	76.1	Confident	69 Å²	69	77.9 Å²	77.9	36%	0.361	43%	0.43	S	S	.	.	H	α-helix	trans	-69.5	-42.9	175.5	-68.3	173.4	0	0	0	111.9	N164 L289 P290 R291 N295 S296 N297	N164-L293 HydrophobicContact CB-CD2 4.19Å; L289-L293 WeakPolarHBondContact O-CG 3.21Å; L289-L293 PolarHBondContact O-N 3.37Å; P290-L293 PolarHBondContact O-N 3.26Å; R291-L293 VanDerWaalsContact C-N 3.31Å; R291-L293 PolarHBondContact O-N 3.2Å; L293-N295 PolarHBondContact O-N 3Å; L293-S296 PolarHBondContact O-N 2.89Å; L293-N297 PolarHBondContact O-N 3.2Å; L293-N297 VanDerWaalsContact O-N 3.15Å
294	L	82.6	Confident	73	Confident	118 Å²	118	82.3 Å²	82.3	62%	0.618	45%	0.452	S	S	*	.	H	α-helix	trans	-58.5	-46.6	175.3	-79.5	156.1	0	0	0	112	P290 R291 S296 N297 C298	P290-L294 WeakPolarHBondContact O-CD1 3.28Å; P290-L294 WeakPolarHBondContact O-CG 3.47Å; P290-L294 PolarHBondContact O-N 3.29Å; R291-L294 PolarHBondContact O-N 3.25Å; L294-S296 VanDerWaalsContact C-N 3.29Å; L294-S296 PolarHBondContact O-N 3.25Å; L294-N297 PolarHBondContact O-N 3.44Å; L294-C298 PolarHBondContact O-N 3.03Å
295	N	77.7	Confident	70	Confident	108 Å²	108	89.2 Å²	89.2	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-65.8	-32.4	179.8	-70	-6.7	0	0	0	112.8	R291 L293 S299	R291-N295 PolarHBondContact O-N 2.95Å; L293-N295 PolarHBondContact O-N 3Å; N295-S299 PolarHBondContact O-N 3.43Å; N295-S299 PolarHBondContact O-OG 3.45Å
296	S	73.7	Confident	66.7	Low	35 Å²	35	91.3 Å²	91.3	25%	0.245	52%	0.519	C	S	.	.	H	α-helix	trans	-68.3	-41.2	177.1	-57.9	0	0	0	0	111.5	L292 L293 L294 S299 Q300	L292-S296 PolarHBondContact O-N 3.41Å; L292-S296 PolarHBondContact O-OG 3.22Å; L293-S296 PolarHBondContact O-N 2.89Å; L294-S296 VanDerWaalsContact C-N 3.29Å; L294-S296 PolarHBondContact O-N 3.25Å; S296-S299 PolarHBondContact O-N 2.97Å; S296-Q300 PolarHBondContact O-N 3.19Å
297	N	65.7	Low	63.7	Low	92 Å²	92	95.3 Å²	95.3	49%	0.492	54%	0.537	S	S	.	.	H	α-helix	trans	-71.2	-37.1	178.3	-67.7	-10.6	0	0	0	112.2	L293 L294 S299 Q300 N301	L293-N297 PolarHBondContact O-N 3.2Å; L293-N297 VanDerWaalsContact O-N 3.15Å; L294-N297 PolarHBondContact O-N 3.44Å; N297-S299 VanDerWaalsContact C-N 3.28Å; N297-S299 PolarHBondContact O-N 3.35Å; N297-Q300 PolarHBondContact O-N 3.35Å; N297-N301 PolarHBondContact O-N 3.42Å
298	C	45.8	Very low	60.8	Low	86 Å²	86	99.5 Å²	99.5	58%	0.581	56%	0.563	S	S	*	*	H	α-helix	trans	-65.8	-32.9	177	-157.5	0	0	0	0	112	L294 Q300	L294-C298 PolarHBondContact O-N 3.03Å; C298-Q300 VanDerWaalsContact C-N 3.33Å; C298-Q300 PolarHBondContact O-N 2.83Å
299	S	51.4	Low	57.5	Low	90 Å²	90	107.2 Å²	107.2	63%	0.629	60%	0.599	S	S	*	*	H	α-helix	trans	-73	-23.3	176.7	-55.6	0	0	0	0	113.5	N295 S296 N297	N295-S299 PolarHBondContact O-N 3.43Å; N295-S299 PolarHBondContact O-OG 3.45Å; S296-S299 PolarHBondContact O-N 2.97Å; N297-S299 VanDerWaalsContact C-N 3.28Å; N297-S299 PolarHBondContact O-N 3.35Å
300	Q	45.2	Very low	54.6	Low	132 Å²	132	113.6 Å²	113.6	62%	0.617	64%	0.638	S	S	*	*	H	α-helix	trans	-82.9	-28.4	178	-72.7	-176.6	-28.1	0	0	112.7	S296 N297 C298 V302 S303	S296-Q300 PolarHBondContact O-N 3.19Å; N297-Q300 PolarHBondContact O-N 3.35Å; C298-Q300 VanDerWaalsContact C-N 3.33Å; C298-Q300 PolarHBondContact O-N 2.83Å; Q300-V302 VanDerWaalsContact C-N 3.31Å; Q300-V302 PolarHBondContact O-N 2.85Å; Q300-S303 PolarHBondContact O-OG 3.27Å
301	N	40.2	Very low	51.4	Low	131 Å²	131	120.3 Å²	120.3	70%	0.701	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-0.5	-178.4	-71.5	-11.8	0	0	0	114.9	N297	N297-N301 PolarHBondContact O-N 3.42Å
302	V	45.3	Very low	48.8	Very low	124 Å²	124	118 Å²	118	75%	0.752	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-5.1	-179.5	-178.1	0	0	0	0	112.5	Q300	Q300-V302 VanDerWaalsContact C-N 3.31Å; Q300-V302 PolarHBondContact O-N 2.85Å
303	S	38.2	Very low	46.2	Very low	95 Å²	95	120.2 Å²	120.2	66%	0.664	69%	0.694	S	S	*	*	S	Bend	trans	-106.3	5.3	-178.4	43	0	0	0	0	115.3	Q300 V305	Q300-S303 PolarHBondContact O-OG 3.27Å; S303-V305 PolarHBondContact O-N 2.93Å
304	E	33.9	Very low	43.7	Very low	175 Å²	175	127.7 Å²	127.7	82%	0.818	72%	0.718	S	S	*	*			trans	-99.9	61	174.4	-73.6	-172.2	163.5	0	0	111.8
305	V	33.2	Very low	41.3	Very low	144 Å²	144	129.7 Å²	129.7	87%	0.873	73%	0.728	S	S	*	*	S	Bend	trans	-143.1	100	159.7	-175.8	0	0	0	0	108.4	S303	S303-V305 PolarHBondContact O-N 2.93Å
306	G	29	Very low	39.2	Very low	65 Å²	65	133 Å²	133	67%	0.67	75%	0.745	S	S	*	*			trans	90.7	99.5	166.1	0	0	0	0	0	114.7
307	D	32.7	Very low	37.3	Very low	172 Å²	172	137.7 Å²	137.7	92%	0.92	77%	0.768	S	S	*	*				-166.1	136.7	120.6	-89.1	-26.9	0	0	0	110.4
308	T	33.4	Very low	35.6	Very low	140 Å²	140	142.2 Å²	142.2	86%	0.859	78%	0.783	S	S	*	*			trans	-85.1	149.5	-169.9	-1.5	0	0	0	0	110.8
309	E	27.7	Very low	35	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	80%	0.796	S	S	*	*			trans	-50.2	133.7	178.3	-61.9	170.3	142.2	0	0	114.2
310	V	33.8	Very low	33.9	Very low	142 Å²	142	145.1 Å²	145.1	86%	0.861	81%	0.805	S	S	*	*			trans	-140.7	112.9	146.8	-177.5	0	0	0	0	109.8
311	E	27.2	Very low	33.5	Very low	194 Å²	194	145.8 Å²	145.8	91%	0.907	82%	0.818	S	S	*	*			trans	-76.8	130.1	173.3	-156.1	175.1	-165.4	0	0	110
312	S	35.4	Very low	33	Very low	118 Å²	118	147.5 Å²	147.5	83%	0.825	82%	0.819	S	S	*	*			trans	-146.4	143.7	159.1	84.1	0	0	0	0	111.7
313	S	34.9	Very low	32.5	Very low	104 Å²	104	149 Å²	149	73%	0.727	82%	0.818	S	S	*	*			trans	-89.7	149.4	-151.3	49.6	0	0	0	0	115.7
314	R	31.3	Very low	32.3	Very low	226 Å²	226	151 Å²	151	85%	0.853	82%	0.821	S	S	*	*			trans	32.9	129.1	132.9	-55.4	179	-179.8	174.4	0.8	119.1
315	L	32.3	Very low	32.3	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	82%	0.816	S	S	*	*				141.2	115.2	124	-75.4	170.3	0	0	0	111.2
316	L	33.1	Very low	32.3	Very low	178 Å²	178	149.6 Å²	149.6	93%	0.932	82%	0.816	S	S	*	*				172.3	117.6	119.9	-92.9	149.7	0	0	0	111.6
317	D	32.8	Very low	32.5	Very low	134 Å²	134	152.2 Å²	152.2	72%	0.717	82%	0.824	S	S	*	*			trans	-82.8	149.9	172.2	-113.2	-28.1	0	0	0	111.2
318	K	30.7	Very low	32.4	Very low	186 Å²	186	151.4 Å²	151.4	81%	0.809	82%	0.82	S	S	*	*			trans	52.5	114.3	145.5	-65.4	172.5	-178.5	168.8	0	120.7
319	A	34	Very low	32.5	Very low	105 Å²	105	153.3 Å²	153.3	87%	0.868	82%	0.824	S	S	*	*			trans	-151.8	130.1	137.5	0	0	0	0	0	111.4
320	T	28	Very low	32.7	Very low	133 Å²	133	148.7 Å²	148.7	82%	0.816	81%	0.813	S	S	*	*			trans	-109.8	124.4	176	-54.1	0	0	0	0	108
321	V	35.5	Very low	32.5	Very low	146 Å²	146	147.1 Å²	147.1	89%	0.885	81%	0.808	S	S	*	*			trans	-150.9	141.1	157.5	-174	0	0	0	0	110.2
322	K	30.7	Very low	32.9	Very low	167 Å²	167	142.9 Å²	142.9	73%	0.726	80%	0.8	S	S	*	*			trans	-87.8	175.7	-177.6	-68.6	172.1	160.4	-176.8	0	113.5
323	E	34.6	Very low	32.8	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	80%	0.799	S	S	*	*			trans	75	145.5	151.8	-74.6	156.6	-149.7	0	0	115.8
324	D	33.7	Very low	32.6	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	80%	0.8	S	S	*	*			cis	-169.3	162.1	-10.1	-118.4	-18	0	0	0	107.7
325	S	34.4	Very low	32.5	Very low	100 Å²	100	140 Å²	140	70%	0.699	80%	0.797	S	S	*	*			trans	54.7	117.8	148.3	62.1	0	0	0	0	124.1
326	Q	32.5	Very low	32.3	Very low	188 Å²	188	138.2 Å²	138.2	88%	0.879	80%	0.795	S	S	*	*				34.1	125.9	129.5	-75.8	173.6	-36.5	0	0	121.9
327	S	34.8	Very low	32.2	Very low	121 Å²	121	136.5 Å²	136.5	85%	0.846	79%	0.792	S	S	*	*				177.7	148.6	115.3	41.7	0	0	0	0	112.7
328	D	29.8	Very low	31.9	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	79%	0.789	S	S	*	*			trans	-65.3	153.1	-175.3	-57.6	-65.1	0	0	0	114.8
329	L	35.4	Very low	31.8	Very low	179 Å²	179	133.2 Å²	133.2	94%	0.937	79%	0.789	S	S	*	*			trans	-166.5	149.2	142.1	-102.7	146.7	0	0	0	112.4
330	S	32.5	Very low	31.5	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	79%	0.786	S	S	*	*			trans	-93.6	157.1	-156.1	49.7	0	0	0	0	116.4
331	S	29.9	Very low	31.7	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	78%	0.775	S	S	*	*			trans	60.4	115.2	141.7	65.8	0	0	0	0	121.1
332	S	34.8	Very low	31.5	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	77%	0.773	S	S	*	*			trans	-168.7	125.8	132.6	57.7	0	0	0	0	113.3
333	N	33.4	Very low	31.4	Very low	151 Å²	151	129.9 Å²	129.9	81%	0.807	77%	0.77	S	S	*	*			trans	70	103.4	138.6	-59	-13.6	0	0	0	122.3
334	S	30.6	Very low	31	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	78%	0.776	S	S	*	*			trans	0.8	129.1	136.1	56.2	0	0	0	0	120.9
335	V	28.9	Very low	30.7	Very low	128 Å²	128	136.2 Å²	136.2	78%	0.776	79%	0.785	S	S	*	*			trans	-150.3	127.4	142.4	-178.1	0	0	0	0	108.8	V337	V335-V337 HydrophobicContact CG1-CG2 4.29Å
336	P	28.9	Very low	30.2	Very low	123 Å²	123	135.6 Å²	135.6	80%	0.799	78%	0.78	S	S	*	*			trans	-100.1	140.3	163.2	34.8	-24.7	0	0	0	110.8
337	V	30.5	Very low	30.2	Very low	143 Å²	143	135.7 Å²	135.7	87%	0.867	78%	0.783	S	S	*	*			trans	-119.1	120.9	170.2	177.9	0	0	0	0	108.5	V335	V335-V337 HydrophobicContact CG1-CG2 4.29Å
338	S	26.7	Very low	29.8	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	78%	0.783	S	S	*	*			trans	-113.2	141.1	179	65.1	0	0	0	0	112.3
339	L	27.6	Very low	29.9	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	78%	0.781	S	S	*	*			trans	67.7	123.3	138.6	-75	158.7	0	0	0	121.3
340	N	28.8	Very low	29.7	Very low	151 Å²	151	132.8 Å²	132.8	81%	0.807	78%	0.777	S	S	*	*				176.2	139.8	118.5	-91.7	-11	0	0	0	108.1
341	S	31.8	Very low	29.4	Very low	81 Å²	81	134.4 Å²	134.4	57%	0.566	78%	0.783	S	S	*	*			cis	179.9	163.9	22.1	52.6	0	0	0	0	113.1
342	H	32.4	Very low	29.5	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.856	79%	0.787	S	S	*	*			trans	71.1	131.9	160	-52.2	99.7	0	0	0	119.6
343	G	28.2	Very low	29.1	Very low	64 Å²	64	134.5 Å²	134.5	66%	0.66	79%	0.79	S	S	*	*			cis	170.7	144.7	-0.9	0	0	0	0	0	111.8
344	Y	26	Very low	28.9	Very low	217 Å²	217	131.3 Å²	131.3	85%	0.851	79%	0.793	S	S	*	*			trans	61.5	113.9	153.6	-66.7	-88.6	0	0	0	123.1
345	F	27.9	Very low	28.7	Very low	210 Å²	210	135.4 Å²	135.4	92%	0.921	80%	0.8	S	S	*	*				-171.5	140.2	90.3	-115.2	-88.1	0	0	0	111.7
346	S	23.8	Very low	28.8	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	80%	0.802	S	S	*	*			trans	-112.7	145.2	-177.6	169.8	0	0	0	0	110.1
347	M	31	Very low	28.7	Very low	191 Å²	191	138.4 Å²	138.4	94%	0.941	80%	0.8	S	S	*	*			trans	-146.2	124.8	142.7	-82.1	-137.9	-144.3	0	0	110.5
348	N	26.6	Very low	28.8	Very low	156 Å²	156	140 Å²	140	83%	0.834	80%	0.795	S	S	*	*			trans	-75.5	153.9	174.8	-77.3	-27.3	0	0	0	112.2
349	G	31.9	Very low	28.7	Very low	78 Å²	78	140.2 Å²	140.2	80%	0.804	80%	0.797	S	S	*	*			trans	-168.9	86.6	167.7	0	0	0	0	0	112.6
350	N	31.6	Very low	28.7	Very low	159 Å²	159	139 Å²	139	85%	0.85	80%	0.796	S	S	*	*			trans	2.6	140.7	165.8	-69.8	-14.2	0	0	0	123.6
351	T	25.9	Very low	28.7	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	80%	0.798	S	S	*	*			trans	-53.5	156	160.8	43.5	0	0	0	0	117
352	V	31.5	Very low	28.3	Very low	141 Å²	141	143.8 Å²	143.8	86%	0.855	81%	0.805	S	S	*	*			trans	150.5	111.6	137.7	173.2	0	0	0	0	105.9
353	G	27.4	Very low	28	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	81%	0.809	S	S	*	*				99.3	119.8	71.7	0	0	0	0	0	109.7
354	G	29.2	Very low	27.7	Very low	84 Å²	84	150 Å²	150	87%	0.866	81%	0.812	S	S	*	*			trans	154.6	111.1	171.1	0	0	0	0	0	115.3
355	E	26.3	Very low	27.9	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	81%	0.813	S	S	*	*			trans	-73	176.2	175.6	-69.9	168	116.9	0	0	114.8
356	E	30.6	Very low	27.7	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	81%	0.809	S	S	*	*			trans	103.2	89.1	152	-60.2	-161.1	147.9	0	0	119.5
357	D	27.8	Very low	27.9	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	82%	0.818	S	S	*	*				36.8	120.2	107.8	-148.3	14	0	0	0	119.9
358	K	32.4	Very low	27.6	Very low	175 Å²	175	143.2 Å²	143.2	76%	0.761	80%	0.804	S	S	*	*				163.1	115.9	127	-87.5	160	-172.4	165.5	0	114.4
359	S	24.7	Very low	27.6	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	81%	0.806	S	S	*	*			trans	12.6	130	141.8	65	0	0	0	0	120.7
360	T	27.5	Very low	27.2	Very low	128 Å²	128	150.4 Å²	150.4	79%	0.785	81%	0.807	S	S	*	*				-166.8	119.4	124.4	-8.1	0	0	0	0	115.8
361	K	29	Very low	27	Very low	195 Å²	195	150.6 Å²	150.6	85%	0.848	81%	0.807	S	S	*	*			trans	46.7	119.2	134.5	-66.4	177.5	-177.7	174.4	0	123.4
362	L	22.2	Very low	27	Very low	138 Å²	138	150.6 Å²	150.6	72%	0.723	81%	0.807	S	S	*	*			trans	-26.3	143.4	148.7	-73.6	145.1	0	0	0	118.1	F364	L362-F364 HydrophobicContact CD2-CD2 4.3Å; L362-F364 HydrophobicContact CD2-CE2 4.04Å
363	F	26.5	Very low	26.8	Very low	214 Å²	214	148.6 Å²	148.6	94%	0.939	80%	0.799	S	S	*	*			trans	-143.3	128.4	138.9	-107.6	-85.7	0	0	0	111
364	F	22.8	Very low	26.9	Very low	165 Å²	165	152.2 Å²	152.2	72%	0.724	80%	0.801	S	S	*	*			trans	-82.5	150.6	175.4	-91.2	-96.5	0	0	0	111.4	L362	L362-F364 HydrophobicContact CD2-CD2 4.3Å; L362-F364 HydrophobicContact CD2-CE2 4.04Å
365	S	28.4	Very low	26.7	Very low	125 Å²	125	152.9 Å²	152.9	87%	0.874	79%	0.792	S	S	*	*			trans	-155.1	116.2	145.8	-77.2	0	0	0	0	110.8
366	R	23.6	Very low	26.7	Very low	223 Å²	223	151.9 Å²	151.9	84%	0.842	79%	0.789	S	S	*	*			trans	-87	164.2	161	-85.8	-179.7	163.6	-171.1	-5.5	109.1
367	P	28.8	Very low	26.5	Very low	120 Å²	120	148.2 Å²	148.2	78%	0.779	78%	0.783	S	S	*	*				-130.5	146.4	117.3	11.1	9.7	0	0	0	114
368	S	24.4	Very low	26.4	Very low	93 Å²	93	146.2 Å²	146.2	65%	0.65	78%	0.78	S	S	*	*			trans	-80.5	145.8	174.8	43.4	0	0	0	0	112.8
369	W	26.1	Very low	26	Very low	233 Å²	233	148.5 Å²	148.5	88%	0.883	78%	0.784	S	S	*	*			trans	-130.7	108.4	152.3	-72.8	98	0	0	0	109.3
370	N	23.7	Very low	26	Very low	153 Å²	153	151 Å²	151	82%	0.818	79%	0.788	S	S	*	*			trans	-85.8	135.5	158.5	-81.1	-23.2	0	0	0	106.7
371	L	28	Very low	26	Very low	162 Å²	162	150.6 Å²	150.6	85%	0.848	79%	0.791	S	S	*	*			trans	-143.5	112.1	158	-100.4	157.6	0	0	0	109.4
372	T	27	Very low	25.7	Very low	127 Å²	127	147.3 Å²	147.3	78%	0.779	79%	0.787	S	S	*	*			trans	-73	151.7	165.2	41.3	0	0	0	0	110.2
373	S	25.4	Very low	26.1	Very low	100 Å²	100	146.5 Å²	146.5	70%	0.699	79%	0.793	S	S	*	*			trans	-47.2	135.5	169.8	51.1	0	0	0	0	112.7
374	D	29.9	Very low	26.1	Very low	153 Å²	153	143 Å²	143	82%	0.818	78%	0.784	S	S	*	*				-169.4	140.8	121.4	-90.4	-19.8	0	0	0	113
375	S	26.2	Very low	26.3	Very low	98 Å²	98	142 Å²	142	69%	0.685	79%	0.791	S	S	*	*			trans	-16.3	143.8	168.1	59.6	0	0	0	0	122.2
376	M	26.4	Very low	26.1	Very low	171 Å²	171	141.7 Å²	141.7	84%	0.842	79%	0.787	S	S	*	*				78.9	111.9	129.8	-72.5	-176.8	88.9	0	0	121.5
377	S	25.2	Very low	26.4	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	79%	0.785	S	S	*	*				81.8	119.9	128.4	86.5	0	0	0	0	120.2
378	S	25.7	Very low	26.3	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	79%	0.786	S	S	*	*			trans	87.5	117.9	130.7	74.6	0	0	0	0	120.2
379	R	24.7	Very low	26.4	Very low	223 Å²	223	145 Å²	145	84%	0.842	80%	0.795	S	S	*	*			trans	78.8	114.6	133.6	-70.9	178	-174.8	-158.1	1.9	120
380	L	24.8	Very low	26.8	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	79%	0.788	S	S	*	*				62.5	114.2	127.8	-65.3	161.7	0	0	0	118.4
381	S	26.5	Very low	27.2	Very low	120 Å²	120	137 Å²	137	84%	0.839	78%	0.782	S	S	*	*				161.5	150	94.1	54.4	0	0	0	0	112.1
382	V	24.2	Very low	27.2	Very low	127 Å²	127	136 Å²	136	77%	0.77	78%	0.777	S	S	*	*			trans	-80.8	143.9	-173.4	175.6	0	0	0	0	111.3
383	S	29.7	Very low	27.4	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	78%	0.784	S	S	*	*			trans	-154.4	130.5	145.6	47.1	0	0	0	0	112.7
384	N	25.7	Very low	27.3	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	79%	0.786	S	S	*	*			trans	-68.1	153.8	-177.7	-60.1	-44.8	0	0	0	113.6
385	V	28.6	Very low	27.2	Very low	145 Å²	145	140.2 Å²	140.2	88%	0.879	78%	0.778	S	S	*	*			trans	-149.4	119.7	135	-178.1	0	0	0	0	110
386	C	23.6	Very low	27.4	Very low	118 Å²	118	143.7 Å²	143.7	80%	0.797	78%	0.783	S	S	*	*			trans	-94.4	151.1	161.7	-87.5	0	0	0	0	109.5
387	E	29	Very low	27.5	Very low	168 Å²	168	140.9 Å²	140.9	79%	0.785	78%	0.78	S	S	*	*			trans	170.3	144.3	147.8	-100.2	170.2	-170.2	0	0	108.1
388	Q	28.5	Very low	27.9	Very low	172 Å²	172	142.5 Å²	142.5	80%	0.804	79%	0.788	S	S	*	*			cis	-172.5	144.9	-15.1	-114.2	175	20.9	0	0	104.6
389	I	25.8	Very low	27.9	Very low	165 Å²	165	146.9 Å²	146.9	85%	0.846	80%	0.798	S	S	*	*			trans	-105	144.9	173.6	-62.6	169	0	0	0	108.6
390	P	34.5	Very low	28.2	Very low	113 Å²	113	147.2 Å²	147.2	73%	0.734	80%	0.799	S	S	*	*			trans	-105.6	151.4	161.2	35.1	-25.4	0	0	0	113.3
391	P	32.3	Very low	28.5	Very low	106 Å²	106	146 Å²	146	69%	0.688	80%	0.799	S	S	*	*			trans	-107.3	174.5	-170.7	41.8	-34	0	0	0	115.4
392	D	28.6	Very low	28.6	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	80%	0.796	S	S	*	*			trans	73	119.6	153.3	-59.6	-30.6	0	0	0	121.8
393	E	29.2	Very low	29.1	Very low	199 Å²	199	145.4 Å²	145.4	93%	0.93	80%	0.797	S	S	*	*				-155.6	124.9	125.6	-120.2	177.9	-174.5	0	0	111.7
394	I	25.3	Very low	29.1	Very low	142 Å²	142	146 Å²	146	73%	0.728	80%	0.795	S	S	*	*			trans	-99.3	167.4	178.3	-57.5	176	0	0	0	108.2
395	I	26.8	Very low	29.4	Very low	127 Å²	127	145 Å²	145	65%	0.651	80%	0.796	S	S	*	*			trans	105.2	104.7	142.5	-22.2	168.2	0	0	0	117.6
396	H	31.4	Very low	29.4	Very low	171 Å²	171	142.6 Å²	142.6	79%	0.792	79%	0.786	S	S	*	*				156.3	121.8	107	-93	-63.6	0	0	0	112.8
397	S	27.1	Very low	29.7	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	79%	0.786	S	S	*	*			trans	-93.8	164	158.6	-48.4	0	0	0	0	110.3
398	P	33.4	Very low	29.5	Very low	130 Å²	130	140.9 Å²	140.9	84%	0.844	78%	0.781	S	S	*	*				-140.7	148.1	128.2	32.4	-16	0	0	0	115.4
399	Q	26.6	Very low	29.6	Very low	191 Å²	191	138.6 Å²	138.6	89%	0.893	79%	0.785	S	S	*	*			trans	-69.3	158.4	172	-66	177.7	-29.4	0	0	114
400	R	30.2	Very low	29.6	Very low	231 Å²	231	139 Å²	139	87%	0.872	78%	0.783	S	S	*	*			trans	-170	109.3	140.7	-108.2	174.8	-163.1	-128	3.6	110.4
401	T	31.9	Very low	29.3	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	79%	0.792	S	S	*	*				97.5	130.1	93.6	50.9	0	0	0	0	115.1
402	S	28	Very low	28.9	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	79%	0.792	S	S	*	*			trans	-59.3	-176.4	-179.7	53.4	0	0	0	0	115.3
403	P	34.5	Very low	28.9	Very low	121 Å²	121	146.2 Å²	146.2	79%	0.786	80%	0.797	S	S	*	*			cis	-146.5	168.4	24	39.7	-16.3	0	0	0	120.2
404	T	29.2	Very low	28.9	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	79%	0.792	S	S	*	*			trans	-69.9	159.3	165.2	39.3	0	0	0	0	113.1
405	P	33.7	Very low	28.8	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	79%	0.789	S	S	*	*				-153.8	155.2	91	36.9	-15.7	0	0	0	118.9
406	S	27.8	Very low	29	Very low	95 Å²	95	144.4 Å²	144.4	66%	0.664	80%	0.801	S	S	*	*			trans	14	142.1	147	66.3	0	0	0	0	123.5
407	L	29.7	Very low	28.9	Very low	153 Å²	153	143.2 Å²	143.2	80%	0.801	80%	0.8	S	S	*	*				179.9	126.9	101.1	-127.8	86.1	0	0	0	113.9
408	S	25.9	Very low	29	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	80%	0.798	S	S	*	*			trans	29.7	133.8	141	67.1	0	0	0	0	123.9
409	S	29.5	Very low	28.8	Very low	125 Å²	125	144 Å²	144	87%	0.874	80%	0.795	S	S	*	*				-157.3	130.7	115.5	54.5	0	0	0	0	112.4
410	Q	26	Very low	28.9	Very low	173 Å²	173	139.3 Å²	139.3	81%	0.808	78%	0.783	S	S	*	*			trans	-80.3	158.3	179.3	-67.6	168.8	-45.4	0	0	112.3
411	K	28.5	Very low	28.9	Very low	214 Å²	214	134.1 Å²	134.1	93%	0.93	78%	0.777	S	S	*	*			trans	-158.7	120.6	132.2	-108.8	169.3	-172.7	-178.7	0	111.9
412	C	23.3	Very low	28.5	Very low	102 Å²	102	133 Å²	133	69%	0.689	77%	0.773	S	S	*	*			trans	-81.9	159	176.8	-57.4	0	0	0	0	113.1
413	F	28.3	Very low	28.5	Very low	194 Å²	194	135.6 Å²	135.6	85%	0.851	78%	0.778	S	S	*	*			trans	-179.4	139.1	139.7	-93.4	-73	0	0	0	106.1
414	K	29.1	Very low	28.1	Very low	187 Å²	187	136.1 Å²	136.1	81%	0.813	77%	0.773	S	S	*	*			cis	-171.5	143.9	-11.2	-128.9	-174.2	-169.1	179.8	0	104.4
415	S	24.7	Very low	28	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	77%	0.774	S	S	*	*			trans	-80	155.8	179.2	52.5	0	0	0	0	113.7
416	V	29.7	Very low	27.6	Very low	146 Å²	146	133.7 Å²	133.7	89%	0.885	77%	0.772	S	S	*	*			trans	-149	126	140.4	-178.2	0	0	0	0	108.6
417	D	29.8	Very low	27.7	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	78%	0.782	S	S	*	*			trans	-79.4	147.2	175.1	-63.6	-65.9	0	0	0	112.9
418	D	28.8	Very low	27.6	Very low	140 Å²	140	139 Å²	139	75%	0.749	79%	0.786	S	S	*	*			trans	-162	121.4	142.2	-166.9	4.5	0	0	0	110.8
419	P	29.1	Very low	27.7	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	79%	0.789	S	S	*	*			trans	-111.2	107	169.6	34.4	-20	0	0	0	111
420	S	30.4	Very low	27.9	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	79%	0.791	S	S	*	*			trans	-158.3	117.4	159.7	56.9	0	0	0	0	112.6
421	T	28.4	Very low	28.1	Very low	123 Å²	123	143.5 Å²	143.5	76%	0.755	79%	0.786	S	S	*	*				156.4	108.1	117.6	-58.5	0	0	0	0	109.9
422	C	24	Very low	28.3	Very low	105 Å²	105	140.6 Å²	140.6	71%	0.709	78%	0.78	S	S	*	*			trans	-74.6	130	166.7	-162.1	0	0	0	0	108.8
423	L	28.4	Very low	28.7	Very low	167 Å²	167	140 Å²	140	87%	0.874	78%	0.778	S	S	*	*			trans	-136.7	91.6	159.8	-90	171.1	0	0	0	109.8
424	I	25.6	Very low	28.7	Very low	132 Å²	132	137.9 Å²	137.9	68%	0.677	78%	0.775	S	S	*	*			trans	-77.8	115.8	159.6	-68.2	169.1	0	0	0	107	V426	I424-V426 HydrophobicContact CG2-CB 4.48Å; I424-V426 HydrophobicContact CG2-CG2 3.65Å; I424-V426 PolarHBondContact O-N 3.12Å
425	G	27.4	Very low	28.7	Very low	83 Å²	83	134.7 Å²	134.7	86%	0.856	77%	0.771	S	S	*	*			trans	-91.7	88.2	167.5	0	0	0	0	0	110.7
426	V	24.8	Very low	29	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.715	78%	0.777	S	S	*	*			trans	-101.1	114.2	161.4	173.7	0	0	0	0	106.7	I424	I424-V426 HydrophobicContact CG2-CB 4.48Å; I424-V426 HydrophobicContact CG2-CG2 3.65Å; I424-V426 PolarHBondContact O-N 3.12Å
427	S	29.4	Very low	28.7	Very low	127 Å²	127	138.4 Å²	138.4	89%	0.888	78%	0.778	S	S	*	*			trans	-92	132.5	169.3	-158.7	0	0	0	0	110
428	R	28.5	Very low	28.6	Very low	233 Å²	233	135.3 Å²	135.3	88%	0.879	78%	0.78	S	S	*	*			trans	-80.8	152.7	-166.1	-78.2	174.7	169.8	170.3	-3.6	113.7
429	H	28	Very low	28.4	Very low	162 Å²	162	134.2 Å²	134.2	75%	0.75	78%	0.783	S	S	*	*			trans	-23.5	140.9	157.6	-79.2	-82.5	0	0	0	117.7
430	H	34.4	Very low	28.3	Very low	195 Å²	195	138 Å²	138	90%	0.903	79%	0.791	S	S	*	*				-140.2	126.6	128.8	-106	-60.1	0	0	0	110.3
431	N	28.8	Very low	28	Very low	132 Å²	132	141 Å²	141	71%	0.706	80%	0.798	S	S	*	*			trans	-74.6	141.9	167.7	-79	-17	0	0	0	110
432	D	33.7	Very low	27.8	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	80%	0.803	S	S	*	*			trans	-171.3	111.1	132.3	-95.1	-35.2	0	0	0	107.5
433	S	31	Very low	27.7	Very low	90 Å²	90	141 Å²	141	63%	0.629	81%	0.805	S	S	*	*				88.9	114.7	86.3	-58.7	0	0	0	0	112.9
434	D	28.6	Very low	27.6	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	81%	0.807	S	S	*	*			trans	77.5	114.6	149.6	-57.4	-33.2	0	0	0	121.7
435	V	30.1	Very low	27.5	Very low	120 Å²	120	144.6 Å²	144.6	73%	0.727	81%	0.812	S	S	*	*				160	118.8	100.5	170.9	0	0	0	0	112.3
436	Q	29.7	Very low	27.4	Very low	171 Å²	171	147 Å²	147	80%	0.799	81%	0.814	S	S	*	*			trans	38.6	115.7	145	-63.9	173.7	-34.1	0	0	121
437	V	24.6	Very low	27.4	Very low	150 Å²	150	148.7 Å²	148.7	91%	0.909	82%	0.816	S	S	*	*				58.4	114.5	78	-174.5	0	0	0	0	114.9
438	G	27.9	Very low	27.3	Very low	80 Å²	80	148.6 Å²	148.6	83%	0.825	81%	0.806	S	S	*	*			trans	173.9	81.2	166.8	0	0	0	0	0	114.3
439	S	23	Very low	27.4	Very low	117 Å²	117	144.6 Å²	144.6	82%	0.818	80%	0.797	S	S	*	*			trans	-74.4	131.6	169	45.4	0	0	0	0	111.9
440	Q	28.4	Very low	27.3	Very low	199 Å²	199	143.9 Å²	143.9	93%	0.93	80%	0.799	S	S	*	*			trans	-149	133	151.4	-110.2	179.8	12.6	0	0	112
441	I	22.7	Very low	27	Very low	155 Å²	155	143.9 Å²	143.9	80%	0.795	80%	0.799	S	S	*	*			trans	-83.4	136.8	-177	-68.4	164.2	0	0	0	109	V443	I441-V443 HydrophobicContact CG2-CG2 3.76Å
442	A	25.6	Very low	27	Very low	105 Å²	105	142 Å²	142	87%	0.868	80%	0.802	S	S	*	*			trans	-131.7	113.7	153.4	0	0	0	0	0	108.3
443	V	21.9	Very low	26.5	Very low	122 Å²	122	141.1 Å²	141.1	74%	0.739	80%	0.801	S	S	*	*			trans	-95.4	124.2	174	169.9	0	0	0	0	107.2	I441	I441-V443 HydrophobicContact CG2-CG2 3.76Å
444	E	26	Very low	26.3	Very low	198 Å²	198	143.1 Å²	143.1	93%	0.925	81%	0.81	S	S	*	*			trans	-146.5	135.2	148.5	-129.7	172.5	-168.5	0	0	111
445	K	22.4	Very low	26.1	Very low	177 Å²	177	139.8 Å²	139.8	77%	0.77	80%	0.798	S	S	*	*			trans	-76.8	141.1	-168	-77.9	168.6	166.1	176.5	0	112.6
446	C	25.4	Very low	25.9	Very low	135 Å²	135	142.6 Å²	142.6	91%	0.912	80%	0.803	S	S	*	*			trans	-147	134.2	131.1	-99.6	0	0	0	0	109.6
447	M	24.3	Very low	25.6	Very low	152 Å²	152	144.1 Å²	144.1	75%	0.749	81%	0.808	S	S	*	*			trans	-91.3	160.6	-170.5	-70.1	171.7	68.8	0	0	112.2
448	D	29.1	Very low	25.6	Very low	125 Å²	125	142.6 Å²	142.6	67%	0.668	80%	0.804	S	S	*	*			trans	81.1	130.7	162	-59.4	-32.1	0	0	0	118.5
449	Q	29.4	Very low	25.6	Very low	149 Å²	149	145.2 Å²	145.2	70%	0.696	80%	0.804	S	S	*	*			cis	-171.6	138.3	-9.7	-118.1	173.1	49.5	0	0	106.9
450	N	26.8	Very low	25.7	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	80%	0.801	S	S	*	*			trans	53.8	125.2	160.2	-56.8	-26.8	0	0	0	118.2
451	E	28.7	Very low	25.5	Very low	195 Å²	195	141.8 Å²	141.8	91%	0.911	79%	0.791	S	S	*	*			cis	-165.5	160.4	42.8	-132.8	179.1	-168.9	0	0	110.6
452	A	27.4	Very low	25.7	Very low	92 Å²	92	141.2 Å²	141.2	76%	0.76	80%	0.795	S	S	*	*			trans	-75.3	138.2	-156.6	0	0	0	0	0	117
453	V	23.4	Very low	25.8	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	79%	0.789	S	S	*	*			trans	-71.5	123.7	157.3	174.7	0	0	0	0	109.1
454	V	27.5	Very low	25.9	Very low	132 Å²	132	142.6 Å²	142.6	80%	0.8	79%	0.791	S	S	*	*			trans	-128.7	102.2	154.8	-179	0	0	0	0	109.1
455	S	24.7	Very low	26	Very low	81 Å²	81	140.8 Å²	140.8	57%	0.566	79%	0.787	S	S	*	*			trans	-73.6	147.5	165.9	49.9	0	0	0	0	112
456	Q	24.2	Very low	26.1	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	79%	0.789	S	S	*	*			trans	59.9	102.1	152.7	-66.9	-179.1	-10.5	0	0	118.1
457	F	25.2	Very low	26.2	Very low	203 Å²	203	136.7 Å²	136.7	89%	0.89	78%	0.782	S	S	*	*			trans	-144.2	125	139.9	-89	-75.9	0	0	0	111.4
458	S	23.5	Very low	26.4	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	78%	0.781	S	S	*	*			trans	-68.8	127.8	174.1	-46.1	0	0	0	0	110.1
459	V	27.3	Very low	26.4	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	78%	0.778	S	S	*	*			trans	-102.9	115.2	169.9	177.5	0	0	0	0	109.1
460	V	25.1	Very low	26.4	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	79%	0.787	S	S	*	*			trans	-62.8	127.7	167.9	174.1	0	0	0	0	108.9
461	T	25	Very low	26.7	Very low	116 Å²	116	135 Å²	135	71%	0.712	79%	0.785	S	S	*	*			trans	-76.5	124.4	174.3	48.2	0	0	0	0	110.5
462	T	27.9	Very low	26.9	Very low	143 Å²	143	132.4 Å²	132.4	88%	0.877	78%	0.778	S	S	*	*			trans	-99.7	88.4	160.2	31.7	0	0	0	0	109.4
463	D	25.9	Very low	27.1	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	78%	0.783	S	S	*	*			trans	-75.4	152.6	153.1	-79.2	-40.5	0	0	0	109.1
464	C	25	Very low	27.5	Very low	116 Å²	116	138.4 Å²	138.4	78%	0.784	79%	0.785	S	S	*	*			trans	96.8	70.1	179.2	-55.7	0	0	0	0	116.4
465	L	27.2	Very low	27.6	Very low	160 Å²	160	137.2 Å²	137.2	84%	0.838	78%	0.783	S	S	*	*			trans	-138	72.4	147.4	-75.4	178.8	0	0	0	109.6	I468	L465-I468 HydrophobicContact CD2-CD1 4.12Å
466	S	25.9	Very low	27.9	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	80%	0.799	S	S	*	*	S	Bend	trans	-131.9	60.6	165.3	64.6	0	0	0	0	109.5
467	S	27.1	Very low	28.3	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	79%	0.794	S	S	*	*			trans	171.5	74	161.6	53.1	0	0	0	0	111.6
468	I	28.1	Very low	28.4	Very low	142 Å²	142	134 Å²	134	73%	0.728	79%	0.789	S	S	*	*			trans	-139.2	120.9	161.6	-60.3	-177.7	0	0	0	108.4	L465	L465-I468 HydrophobicContact CD2-CD1 4.12Å
469	S	29.8	Very low	28.8	Very low	86 Å²	86	135.4 Å²	135.4	60%	0.601	79%	0.787	S	S	*	*			trans	-76	153.1	175.5	61.1	0	0	0	0	111.3	D471	S469-D471 PolarHBondContact O-N 3.17Å
470	L	29.3	Very low	28.9	Very low	170 Å²	170	136.3 Å²	136.3	89%	0.89	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	21.6	-164.6	-108.5	149.9	0	0	0	116.4
471	D	33.1	Very low	28.8	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-0.1	-166.8	-70.5	-36.9	0	0	0	116.5	S469	S469-D471 PolarHBondContact O-N 3.17Å
472	D	33.3	Very low	28.9	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	79%	0.79	S	S	*	*			trans	-117.3	22.7	-173.9	-73.9	-41.9	0	0	0	116	H474	D472-H474 VanDerWaalsContact C-N 3.3Å; D472-H474 PolarHBondContact O-N 3.1Å
473	L	31	Very low	28.8	Very low	166 Å²	166	138.7 Å²	138.7	87%	0.869	79%	0.791	S	S	*	*			trans	-90.4	51.4	176.8	-105.6	121.8	0	0	0	113.2
474	H	30.5	Very low	28.8	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.856	79%	0.793	S	S	*	*	S	Bend	trans	-136.2	67.4	168.4	-85.7	-70.6	0	0	0	110.3	D472	D472-H474 VanDerWaalsContact C-N 3.3Å; D472-H474 PolarHBondContact O-N 3.1Å
475	S	31.4	Very low	28.8	Very low	107 Å²	107	140 Å²	140	75%	0.748	79%	0.794	S	S	*	*			trans	171.5	64.9	158.9	45.7	0	0	0	0	113
476	L	31	Very low	28.9	Very low	171 Å²	171	137.8 Å²	137.8	90%	0.895	79%	0.789	S	S	*	*			trans	-138.3	141	162.8	-78.9	173.1	0	0	0	112.4
477	P	31	Very low	29	Very low	112 Å²	112	137.7 Å²	137.7	73%	0.727	79%	0.786	S	S	*	*			trans	-84.9	158.1	-158.3	-6.4	27.2	0	0	0	114	D479	P477-D479 VanDerWaalsContact C-N 3.34Å; P477-D479 PolarHBondContact O-N 2.89Å
478	S	28	Very low	29	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	78%	0.784	S	S	*	*	S	Bend	trans	-73.2	23.1	-161.1	40.5	0	0	0	0	119
479	D	31.2	Very low	29.1	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	79%	0.785	S	S	*	*			trans	-119.5	19.7	-169.2	-66.6	-34.2	0	0	0	116.5	P477	P477-D479 VanDerWaalsContact C-N 3.34Å; P477-D479 PolarHBondContact O-N 2.89Å
480	I	29.4	Very low	29	Very low	156 Å²	156	137.6 Å²	137.6	80%	0.8	79%	0.79	S	S	*	*			trans	-125.7	59.9	175.3	-48.1	179.5	0	0	0	110.7
481	C	24.6	Very low	29	Very low	111 Å²	111	134.6 Å²	134.6	75%	0.75	78%	0.781	S	S	*	*			trans	-132.4	78.5	171.2	-77.9	0	0	0	0	108.6
482	N	26	Very low	29	Very low	154 Å²	154	132 Å²	132	82%	0.824	77%	0.771	S	S	*	*			trans	-170.2	38.3	164	-92.1	-23.8	0	0	0	114.1	T484	N482-T484 PolarHBondContact O-N 2.87Å
483	L	25.2	Very low	28.7	Very low	171 Å²	171	131.3 Å²	131.3	90%	0.895	77%	0.772	S	S	*	*			trans	-92	82	163.2	-79.7	165.7	0	0	0	108.7	L485	L483-L485 PolarHBondContact O-N 3.45Å
484	T	26.4	Very low	28.6	Very low	130 Å²	130	131.4 Å²	131.4	80%	0.798	77%	0.774	S	S	*	*			trans	-65.3	111.9	169.7	30.3	0	0	0	0	109.3	N482	N482-T484 PolarHBondContact O-N 2.87Å
485	L	26.2	Very low	28.6	Very low	154 Å²	154	125 Å²	125	81%	0.806	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-52.5	139.3	162.9	-69.6	165.7	0	0	0	108.8	L483	L483-L485 PolarHBondContact O-N 3.45Å
486	P	27.8	Very low	28.6	Very low	112 Å²	112	125 Å²	125	73%	0.727	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-56.4	140.1	170.7	24.9	-32	0	0	0	108.7
487	P	28.2	Very low	28.5	Very low	114 Å²	114	121.3 Å²	121.3	74%	0.74	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58.7	149.6	176.9	26.2	-33	0	0	0	109.6
488	P	28	Very low	28.7	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-55.1	148.2	171.5	25	-33	0	0	0	109.8
489	P	30.2	Very low	29.1	Very low	115 Å²	115	121.9 Å²	121.9	75%	0.747	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-53.2	143.2	173.1	23	-32.1	0	0	0	109.5
490	P	28.1	Very low	29.6	Very low	110 Å²	110	116.9 Å²	116.9	71%	0.714	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-57.1	145.4	-178.2	24.2	-32.6	0	0	0	110
491	P	29.1	Very low	29.7	Very low	107 Å²	107	114.8 Å²	114.8	70%	0.695	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-57.4	141.4	171.9	25.9	-32.2	0	0	0	108.4	T493	P491-T493 PolarHBondContact O-N 3.43Å; P491-T493 VanDerWaalsContact O-N 3.08Å
492	P	32.2	Very low	30.3	Very low	84 Å²	84	110.7 Å²	110.7	55%	0.545	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-55.9	121.7	179.4	20.6	-29.8	0	0	0	110	N494 D496	P492-N494 PolarHBondContact O-N 2.73Å; P492-D496 HydrophobicContact CB-CB 3.99Å; P492-D496 WeakPolarHBondContact CB-OD2 3.21Å; P492-D496 HydrophobicContact CG-CB 3.77Å; P492-D496 VanDerWaalsContact CG-OD2 3.23Å; P492-D496 WeakPolarHBondContact CG-OD2 3.21Å
493	T	28.2	Very low	30.8	Very low	127 Å²	127	104.7 Å²	104.7	78%	0.779	62%	0.62	S	S	*	*			trans	-73.4	115.8	179.4	46.1	0	0	0	0	109.4	P491	P491-T493 PolarHBondContact O-N 3.43Å; P491-T493 VanDerWaalsContact O-N 3.08Å
494	N	27.8	Very low	31.3	Very low	169 Å²	169	103.4 Å²	103.4	90%	0.904	61%	0.61	S	S	*	*	S	Bend	trans	54.5	90.8	167.5	-63.3	-19.4	0	0	0	115.9	P492	P492-N494 PolarHBondContact O-N 2.73Å
495	G	31.2	Very low	31.8	Very low	50 Å²	50	101.1 Å²	101.1	52%	0.515	59%	0.592	S	S	.	*			trans	149.4	-19.9	162	0	0	0	0	0	116.9	S497	G495-S497 VanDerWaalsContact C-N 3.28Å; G495-S497 PolarHBondContact O-N 2.83Å
496	D	30.2	Very low	32.5	Very low	108 Å²	108	96.5 Å²	96.5	58%	0.578	57%	0.568	S	S	*	*			trans	-86.3	50.6	-159.6	-71.9	8.6	0	0	0	115.4	P492	P492-D496 HydrophobicContact CB-CB 3.99Å; P492-D496 WeakPolarHBondContact CB-OD2 3.21Å; P492-D496 HydrophobicContact CG-CB 3.77Å; P492-D496 VanDerWaalsContact CG-OD2 3.23Å; P492-D496 WeakPolarHBondContact CG-OD2 3.21Å
497	S	30.6	Very low	33	Very low	92 Å²	92	97.3 Å²	97.3	64%	0.643	56%	0.557	S	S	*	*			trans	-82.2	5.8	160.2	55.4	0	0	0	0	113.2	G495 F499	G495-S497 VanDerWaalsContact C-N 3.28Å; G495-S497 PolarHBondContact O-N 2.83Å; S497-F499 VanDerWaalsContact C-N 3.28Å; S497-F499 PolarHBondContact O-N 3.23Å
498	D	34	Very low	33.2	Very low	101 Å²	101	94.4 Å²	94.4	54%	0.54	54%	0.539	S	S	.	.			trans	-88.4	12.2	-170.1	-74.5	-8.2	0	0	0	114.2	F500 Q501	D498-F500 PolarHBondContact O-N 3.35Å; D498-Q501 PolarHBondContact O-N 3.06Å; D498-Q501 PolarHBondContact OD1-NE2 3.47Å; D498-Q501 PolarHBondContact OD1-OE1 3.05Å
499	F	36.9	Very low	33.7	Very low	137 Å²	137	91.8 Å²	91.8	60%	0.601	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.7	-165.1	-141.7	-100.8	0	0	0	115	S497	S497-F499 VanDerWaalsContact C-N 3.28Å; S497-F499 PolarHBondContact O-N 3.23Å
500	F	41.8	Very low	34	Very low	41 Å²	41	89 Å²	89	18%	0.18	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-169.9	43.6	159.7	-95.1	-75.3	0	0	0	112.1	E272 L273 D498 S502 S503	E272-F500 HydrophobicContact CB-CE1 4.5Å; E272-F500 HydrophobicContact CB-CE2 4.14Å; E272-F500 HydrophobicContact CB-CZ 3.93Å; E272-F500 VanDerWaalsContact O-CE2 3.23Å; E272-F500 WeakPolarHBondContact O-CE2 3.4Å; L273-F500 HydrophobicContact CD2-CB 3.09Å; L273-F500 HydrophobicContact CD2-CD1 4.05Å; L273-F500 HydrophobicContact CD2-CD2 3.69Å; L273-F500 HydrophobicContact CD2-CG 3.39Å; L273-F500 HydrophobicContact CG-CB 4.5Å; D498-F500 PolarHBondContact O-N 3.35Å; F500-S502 PolarHBondContact O-N 3.09Å; F500-S502 VanDerWaalsContact O-N 3.07Å; F500-S503 PolarHBondContact O-N 3.34Å; F500-S503 PolarHBondContact O-OG 3.02Å
501	Q	31.1	Very low	34.1	Very low	111 Å²	111	86.6 Å²	86.6	52%	0.519	48%	0.479	S	S	.	.	H	α-helix	trans	-59.7	-20.3	174.8	-82.9	-172.2	13.6	0	0	112.8	D498 S503 E504 L505	D498-Q501 PolarHBondContact O-N 3.06Å; D498-Q501 PolarHBondContact OD1-NE2 3.47Å; D498-Q501 PolarHBondContact OD1-OE1 3.05Å; Q501-S503 VanDerWaalsContact C-N 3.29Å; Q501-S503 PolarHBondContact O-N 3.44Å; Q501-E504 WeakPolarHBondContact O-CB 3.39Å; Q501-E504 PolarHBondContact O-N 2.95Å; Q501-L505 PolarHBondContact O-N 3.5Å; Q501-L505 VanDerWaalsContact O-N 3.1Å
502	S	38.1	Very low	34.3	Very low	25 Å²	25	88.8 Å²	88.8	18%	0.175	48%	0.48	C	S	.	.	H	α-helix	trans	-70.3	-19.2	175.8	61	0	0	0	0	113.9	H111 F500 L505 L506	H111-S502 PolarHBondContact CD2-OG 2.89Å; H111-S502 VanDerWaalsContact CD2-OG 3.26Å; H111-S502 PolarHBondContact NE2-OG 3.07Å; F500-S502 PolarHBondContact O-N 3.09Å; F500-S502 VanDerWaalsContact O-N 3.07Å; S502-L505 CarbonylContact O-C 3.56Å; S502-L505 PolarHBondContact O-N 3.41Å; S502-L506 VanDerWaalsContact O-CB 3.28Å; S502-L506 WeakPolarHBondContact O-CB 3.23Å; S502-L506 WeakPolarHBondContact O-CG 2.85Å; S502-L506 PolarHBondContact O-N 3.14Å
503	S	36.5	Very low	34.4	Very low	28 Å²	28	90.8 Å²	90.8	20%	0.196	48%	0.48	C	S	.	.	H	α-helix	trans	-74.3	-40.5	174	65.9	0	0	0	0	111.8	L273 F500 Q501 L505 L506 W507	L273-S503 WeakPolarHBondContact CD2-OG 3.34Å; F500-S503 PolarHBondContact O-N 3.34Å; F500-S503 PolarHBondContact O-OG 3.02Å; Q501-S503 VanDerWaalsContact C-N 3.29Å; Q501-S503 PolarHBondContact O-N 3.44Å; S503-L505 VanDerWaalsContact C-N 3.27Å; S503-L505 PolarHBondContact O-N 2.86Å; S503-L506 PolarHBondContact O-N 2.64Å; S503-W507 VanDerWaalsContact O-CB 3.26Å; S503-W507 WeakPolarHBondContact O-CB 3.46Å; S503-W507 PolarHBondContact O-N 3.49Å
504	E	34.3	Very low	34.6	Very low	145 Å²	145	88.2 Å²	88.2	68%	0.678	46%	0.461	S	S	*	.	H	α-helix	trans	-59	-39	165	-84.6	-85	144.7	0	0	110.7	Q501 W507 S508	Q501-E504 WeakPolarHBondContact O-CB 3.39Å; Q501-E504 PolarHBondContact O-N 2.95Å; E504-W507 PolarHBondContact O-N 3.41Å; E504-S508 WeakPolarHBondContact O-CA 3.31Å; E504-S508 WeakPolarHBondContact O-CB 3.19Å; E504-S508 PolarHBondContact O-N 2.76Å
505	L	37.8	Very low	34.5	Very low	82 Å²	82	83.7 Å²	83.7	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-73.3	-39.6	178.5	-140.2	140.4	0	0	0	112.6	Q501 S502 S503 W507 S508 L509	Q501-L505 PolarHBondContact O-N 3.5Å; Q501-L505 VanDerWaalsContact O-N 3.1Å; S502-L505 CarbonylContact O-C 3.56Å; S502-L505 PolarHBondContact O-N 3.41Å; S503-L505 VanDerWaalsContact C-N 3.27Å; S503-L505 PolarHBondContact O-N 2.86Å; L505-W507 VanDerWaalsContact C-N 3.31Å; L505-S508 PolarHBondContact O-N 3.07Å; L505-L509 HydrophobicContact CD2-CD1 3.71Å; L505-L509 HydrophobicContact CD2-CG 4.18Å; L505-L509 VanDerWaalsContact O-CB 3.25Å; L505-L509 WeakPolarHBondContact O-CB 3.38Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.43Å
506	L	41.1	Very low	34.3	Very low	56 Å²	56	89.3 Å²	89.3	29%	0.293	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-41.2	171.2	-80.6	166.5	0	0	0	110.5	F60 L108 S502 S503 H510	F60-L506 HydrophobicContact CE2-CD2 4.32Å; F60-L506 HydrophobicContact CZ-CD1 4.2Å; F60-L506 HydrophobicContact CZ-CD2 3.85Å; F60-L506 HydrophobicContact CZ-CG 4.05Å; L108-L506 HydrophobicContact CD2-CD2 3.67Å; S502-L506 VanDerWaalsContact O-CB 3.28Å; S502-L506 WeakPolarHBondContact O-CB 3.23Å; S502-L506 WeakPolarHBondContact O-CG 2.85Å; S502-L506 PolarHBondContact O-N 3.14Å; S503-L506 PolarHBondContact O-N 2.64Å; L506-H510 WeakPolarHBondContact O-CB 3.36Å; L506-H510 PolarHBondContact O-N 2.79Å
507	W	38.2	Very low	34.1	Very low	129 Å²	129	89.9 Å²	89.9	49%	0.489	47%	0.467	S	S	.	.	H	α-helix	trans	-74.8	-38.5	177.9	-167.9	-117.5	0	0	0	112.7	S503 E504 L505 H510 T511	S503-W507 VanDerWaalsContact O-CB 3.26Å; S503-W507 WeakPolarHBondContact O-CB 3.46Å; S503-W507 PolarHBondContact O-N 3.49Å; E504-W507 PolarHBondContact O-N 3.41Å; L505-W507 VanDerWaalsContact C-N 3.31Å; W507-H510 PolarHBondContact O-N 3.32Å; W507-T511 HydrophobicContact CD2-CG2 4.19Å; W507-T511 HydrophobicContact CG-CG2 4.44Å; W507-T511 HydrophobicContact CZ2-CG2 4.1Å; W507-T511 WeakPolarHBondContact O-CB 3.06Å; W507-T511 WeakPolarHBondContact O-CG2 3.46Å; W507-T511 PolarHBondContact O-N 3.37Å; W507-T511 PolarHBondContact O-OG1 3.26Å
508	S	32	Very low	34	Very low	54 Å²	54	92.5 Å²	92.5	38%	0.378	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-49.2	173.1	178.3	0	0	0	0	110.4	E504 L505 H510 T511 Q512	E504-S508 WeakPolarHBondContact O-CA 3.31Å; E504-S508 WeakPolarHBondContact O-CB 3.19Å; E504-S508 PolarHBondContact O-N 2.76Å; L505-S508 PolarHBondContact O-N 3.07Å; S508-H510 VanDerWaalsContact C-N 3.29Å; S508-H510 PolarHBondContact O-N 3.08Å; S508-T511 WeakPolarHBondContact CA-OG1 3.26Å; S508-T511 PolarHBondContact O-N 3.47Å; S508-T511 PolarHBondContact O-OG1 2.88Å; S508-Q512 WeakPolarHBondContact O-CB 3.2Å; S508-Q512 PolarHBondContact O-N 3.37Å
509	L	37.5	Very low	33.8	Very low	56 Å²	56	92.2 Å²	92.2	29%	0.293	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-35.5	175	-72.5	171.8	0	0	0	112.2	L56 L505 K513	L56-L509 HydrophobicContact CD2-CD1 4.34Å; L505-L509 HydrophobicContact CD2-CD1 3.71Å; L505-L509 HydrophobicContact CD2-CG 4.18Å; L505-L509 VanDerWaalsContact O-CB 3.25Å; L505-L509 WeakPolarHBondContact O-CB 3.38Å; L505-L509 WeakPolarHBondContact O-CG 3.48Å; L505-L509 PolarHBondContact O-N 3.43Å; L509-K513 WeakPolarHBondContact O-CB 3.25Å; L509-K513 PolarHBondContact O-N 3.1Å; L509-K513 VanDerWaalsContact O-N 3.16Å
510	H	36.2	Very low	33.3	Very low	56 Å²	56	91.2 Å²	91.2	26%	0.259	48%	0.476	S	S	.	.	H	α-helix	trans	-72.7	-42.6	178.1	-159.8	75.3	0	0	0	112.5	L506 W507 S508 N514	L506-H510 WeakPolarHBondContact O-CB 3.36Å; L506-H510 PolarHBondContact O-N 2.79Å; W507-H510 PolarHBondContact O-N 3.32Å; S508-H510 VanDerWaalsContact C-N 3.29Å; S508-H510 PolarHBondContact O-N 3.08Å; H510-N514 PolarHBondContact CE1-ND2 2.62Å; H510-N514 VanDerWaalsContact O-CB 3.31Å; H510-N514 WeakPolarHBondContact O-CB 3.42Å; H510-N514 PolarHBondContact O-N 2.87Å
511	T	31.7	Very low	32.5	Very low	60 Å²	60	93.5 Å²	93.5	37%	0.368	50%	0.495	S	S	.	.	H	α-helix	trans	-73.4	-35.5	178.1	49.3	0	0	0	0	112.5	W507 S508 G515	W507-T511 HydrophobicContact CD2-CG2 4.19Å; W507-T511 HydrophobicContact CG-CG2 4.44Å; W507-T511 HydrophobicContact CZ2-CG2 4.1Å; W507-T511 WeakPolarHBondContact O-CB 3.06Å; W507-T511 WeakPolarHBondContact O-CG2 3.46Å; W507-T511 PolarHBondContact O-N 3.37Å; W507-T511 PolarHBondContact O-OG1 3.26Å; S508-T511 WeakPolarHBondContact CA-OG1 3.26Å; S508-T511 PolarHBondContact O-N 3.47Å; S508-T511 PolarHBondContact O-OG1 2.88Å; T511-G515 PolarHBondContact O-N 3.05Å
512	Q	32.2	Very low	32.2	Very low	154 Å²	154	98.4 Å²	98.4	72%	0.72	51%	0.509	S	S	*	.	H	α-helix	trans	-74.5	-30.4	179.6	-159.7	176.2	39.2	0	0	112.2	S508	S508-Q512 WeakPolarHBondContact O-CB 3.2Å; S508-Q512 PolarHBondContact O-N 3.37Å
513	K	34.6	Very low	31.8	Very low	126 Å²	126	106 Å²	106	55%	0.548	54%	0.539	S	S	.	.	H	α-helix	trans	-89.2	-25.8	176.6	-156.1	173.9	-175.4	177.4	0	113.6	L509	L509-K513 WeakPolarHBondContact O-CB 3.25Å; L509-K513 PolarHBondContact O-N 3.1Å; L509-K513 VanDerWaalsContact O-N 3.16Å
514	N	32.8	Very low	31.6	Very low	72 Å²	72	109.1 Å²	109.1	39%	0.385	55%	0.553	S	S	.	*			trans	-117	52.7	179.9	-65.1	-37.3	0	0	0	112.7	H510 K516	H510-N514 PolarHBondContact CE1-ND2 2.62Å; H510-N514 VanDerWaalsContact O-CB 3.31Å; H510-N514 WeakPolarHBondContact O-CB 3.42Å; H510-N514 PolarHBondContact O-N 2.87Å; N514-K516 CarbonylContact O-C 3.42Å; N514-K516 PolarHBondContact O-N 2.91Å
515	G	26.5	Very low	31.6	Very low	75 Å²	75	105.6 Å²	105.6	77%	0.773	54%	0.541	S	S	*	.			trans	-56.3	19.8	173.7	0	0	0	0	0	116.8	T511	T511-G515 PolarHBondContact O-N 3.05Å
516	K	25.4	Very low	31.3	Very low	167 Å²	167	105.9 Å²	105.9	73%	0.726	55%	0.55	S	S	*	.			trans	-132.3	83.7	166.9	-66.1	-179.1	-179.3	174.8	0	109	N514 N518	N514-K516 CarbonylContact O-C 3.42Å; N514-K516 PolarHBondContact O-N 2.91Å; K516-N518 PolarHBondContact O-N 3.16Å
517	I	27.5	Very low	30.9	Very low	120 Å²	120	111.4 Å²	111.4	62%	0.615	57%	0.572	S	S	*	*			trans	-68	91.9	155.7	-59.3	175.9	0	0	0	105.8	T519	I517-T519 HydrophobicContact CG2-CG2 3.72Å; I517-T519 PolarHBondContact O-N 3.36Å
518	N	27.4	Very low	30.7	Very low	148 Å²	148	111.7 Å²	111.7	79%	0.791	58%	0.582	S	S	*	*			trans	-74.2	62.6	165.6	-72.7	-31.9	0	0	0	108.7	K516	K516-N518 PolarHBondContact O-N 3.16Å
519	T	29.2	Very low	30.9	Very low	95 Å²	95	114.6 Å²	114.6	58%	0.583	59%	0.593	S	S	*	*			trans	-62.3	139	147	40.5	0	0	0	0	105.8	I517	I517-T519 HydrophobicContact CG2-CG2 3.72Å; I517-T519 PolarHBondContact O-N 3.36Å
520	L	26.5	Very low	30.4	Very low	115 Å²	115	115 Å²	115	60%	0.602	61%	0.61	S	S	*	*	S	Bend	trans	-31.9	130.9	176.4	-88.8	148.8	0	0	0	110.8	R522	L520-R522 PolarHBondContact O-N 2.8Å; L520-R522 VanDerWaalsContact O-N 3.1Å
521	P	24.8	Very low	30.2	Very low	89 Å²	89	118.9 Å²	118.9	58%	0.578	64%	0.638	S	S	*	*			trans	-44.8	123.7	-171	-26.3	30.3	0	0	0	110.6	K523 L524	P521-K523 PolarHBondContact O-N 3.33Å; P521-L524 PolarHBondContact O-N 3.31Å
522	R	26.4	Very low	30.1	Very low	215 Å²	215	125.3 Å²	125.3	81%	0.811	66%	0.664	S	S	*	*	H	α-helix	trans	-51.2	-12.2	-178.9	-85.2	-178.8	174.1	172	-2.1	114.7	L520 L524 T525	L520-R522 PolarHBondContact O-N 2.8Å; L520-R522 VanDerWaalsContact O-N 3.1Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-T525 WeakPolarHBondContact CA-OG1 3.44Å; R522-T525 PolarHBondContact O-OG1 2.99Å
523	K	29.4	Very low	30.1	Very low	185 Å²	185	125.1 Å²	125.1	80%	0.804	67%	0.667	S	S	*	*	H	α-helix	trans	-74.3	-14	170.7	-72.2	-175.2	176	180	0	114.7	P521	P521-K523 PolarHBondContact O-N 3.33Å
524	L	32.3	Very low	29.8	Very low	92 Å²	92	126.8 Å²	126.8	48%	0.482	68%	0.681	S	S	.	*	H	α-helix	trans	-94.4	-27.4	174.5	-117.1	86.4	0	0	0	113	P521 R522	P521-L524 PolarHBondContact O-N 3.31Å; R522-L524 VanDerWaalsContact C-N 3.34Å
525	T	34.1	Very low	29.6	Very low	71 Å²	71	131.6 Å²	131.6	44%	0.436	70%	0.702	S	S	.	*	H	α-helix	trans	-83.5	-25.4	-175.9	25.8	0	0	0	0	113.9	R522 L529	R522-T525 WeakPolarHBondContact CA-OG1 3.44Å; R522-T525 PolarHBondContact O-OG1 2.99Å; T525-L529 VanDerWaalsContact O-CD1 3.28Å; T525-L529 WeakPolarHBondContact O-CD1 3.28Å
526	S	31	Very low	29.8	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	70%	0.697	S	S	*	*	S	Bend	trans	-80.6	-13.6	179.5	66.5	0	0	0	0	115.1
527	K	32.4	Very low	29.9	Very low	172 Å²	172	132.1 Å²	132.1	75%	0.748	70%	0.704	S	S	*	*	S	Bend	trans	-95.4	-10.7	-179.3	-80.5	-177.8	174.5	179.3	0	114.8
528	L	34.5	Very low	30	Very low	135 Å²	135	133.5 Å²	133.5	71%	0.707	71%	0.712	S	S	*	*	S	Bend	trans	-99.2	0.7	178.3	-82.7	157	0	0	0	113.4
529	L	36.1	Very low	29.9	Very low	115 Å²	115	135.5 Å²	135.5	60%	0.602	72%	0.716	S	S	*	*			trans	-111	24.1	-170.4	-76.7	169.5	0	0	0	114	T525	T525-L529 VanDerWaalsContact O-CD1 3.28Å; T525-L529 WeakPolarHBondContact O-CD1 3.28Å
530	G	27.6	Very low	30	Very low	64 Å²	64	137 Å²	137	66%	0.66	72%	0.72	S	S	*	*			trans	-104.7	93.1	168.4	0	0	0	0	0	110.3
531	T	32.3	Very low	30.1	Very low	139 Å²	139	137 Å²	137	85%	0.853	73%	0.727	S	S	*	*	S	Bend	trans	177.2	138.5	152.5	23.7	0	0	0	0	109.2
532	E	28.9	Very low	30.1	Very low	194 Å²	194	142.3 Å²	142.3	91%	0.907	74%	0.74	S	S	*	*			trans	-59.2	144	-164.9	-68	165.8	146.1	0	0	114.4	D534	E532-D534 PolarHBondContact O-N 3.41Å
533	I	32.1	Very low	30.1	Very low	151 Å²	151	139.1 Å²	139.1	77%	0.774	73%	0.732	S	S	*	*			trans	-83.5	104.7	176.5	-61.6	172.1	0	0	0	107.8	Q535	I533-Q535 HydrophobicContact CG2-CG 3.96Å
534	D	28.6	Very low	29.9	Very low	160 Å²	160	135.4 Å²	135.4	86%	0.856	73%	0.725	S	S	*	*			trans	-85.9	109.8	165	-161.4	6.1	0	0	0	109	E532 G536	E532-D534 PolarHBondContact O-N 3.41Å; D534-G536 PolarHBondContact O-N 3.15Å; D534-G536 VanDerWaalsContact O-N 3.09Å
535	Q	29.2	Very low	29.7	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.813	74%	0.736	S	S	*	*			trans	-81	78.7	-179.9	-69.6	-172	-3.7	0	0	110.3	I533 H537	I533-Q535 HydrophobicContact CG2-CG 3.96Å; Q535-H537 PolarHBondContact O-N 2.7Å
536	G	29.9	Very low	29.4	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	74%	0.741	S	S	*	*			trans	-73.9	118	171.3	0	0	0	0	0	112.6	D534 L538	D534-G536 PolarHBondContact O-N 3.15Å; D534-G536 VanDerWaalsContact O-N 3.09Å; G536-L538 PolarHBondContact O-N 2.71Å
537	H	29.1	Very low	29.1	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.866	75%	0.747	S	S	*	*			trans	-42.5	114.7	176.5	-75.4	-34.3	0	0	0	115.3	Q535	Q535-H537 PolarHBondContact O-N 2.7Å
538	L	28.9	Very low	28.8	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	74%	0.744	S	S	*	*			trans	-100.7	106.3	154.9	-134	91.5	0	0	0	107.6	G536 I540	G536-L538 PolarHBondContact O-N 2.71Å; L538-I540 PolarHBondContact O-N 3.46Å
539	Q	25.7	Very low	28.4	Very low	190 Å²	190	145.2 Å²	145.2	89%	0.888	75%	0.753	S	S	*	*			trans	-69.9	96.9	170.6	-73.2	-166.2	2.3	0	0	109.2
540	I	31.1	Very low	27.9	Very low	127 Å²	127	147.7 Å²	147.7	65%	0.651	76%	0.762	S	S	*	*			trans	-83.2	130.4	167.5	-58.4	170.8	0	0	0	106.6	L538 K542	L538-I540 PolarHBondContact O-N 3.46Å; I540-K542 PolarHBondContact O-N 2.82Å
541	P	28.2	Very low	28	Very low	115 Å²	115	153.8 Å²	153.8	75%	0.747	77%	0.77	S	S	*	*			trans	-58.2	115.2	175.2	22	-29.9	0	0	0	109	K543	P541-K543 PolarHBondContact O-N 3.44Å
542	K	25.4	Very low	27.7	Very low	199 Å²	199	150 Å²	150	87%	0.865	75%	0.75	S	S	*	*			trans	-66.6	70.6	173.8	-70.3	-179.6	177.9	177.7	0	110	I540	I540-K542 PolarHBondContact O-N 2.82Å
543	K	25.4	Very low	27.7	Very low	149 Å²	149	145.3 Å²	145.3	65%	0.648	74%	0.738	S	S	*	*			trans	-96.5	91.4	145.2	-85.7	-169.8	176.2	-178.4	0	105.7	P541 W545	P541-K543 PolarHBondContact O-N 3.44Å; K543-W545 VanDerWaalsContact C-N 3.33Å; K543-W545 HydrophobicContact CB-CD2 4.5Å; K543-W545 HydrophobicContact CB-CZ2 4.12Å; K543-W545 HydrophobicContact CD-CH2 4.05Å; K543-W545 HydrophobicContact CD-CZ2 3.52Å; K543-W545 HydrophobicContact CG-CZ2 4.43Å; K543-W545 PolarHBondContact O-N 3.1Å; K543-W545 PolarHBondContact O-NE1 3.47Å
544	V	25.3	Very low	27.6	Very low	107 Å²	107	145 Å²	145	65%	0.648	73%	0.733	S	S	*	*			trans	-68	97.5	169.6	176.4	0	0	0	0	105.6	T546	V544-T546 HydrophobicContact CG1-CG2 3.8Å; V544-T546 PolarHBondContact O-N 3.33Å
545	W	29.1	Very low	27.6	Very low	190 Å²	190	145 Å²	145	72%	0.72	73%	0.726	S	S	*	*			trans	-80.7	66.4	174	-58.7	99.6	0	0	0	108.7	K543	K543-W545 VanDerWaalsContact C-N 3.33Å; K543-W545 HydrophobicContact CB-CD2 4.5Å; K543-W545 HydrophobicContact CB-CZ2 4.12Å; K543-W545 HydrophobicContact CD-CH2 4.05Å; K543-W545 HydrophobicContact CD-CZ2 3.52Å; K543-W545 HydrophobicContact CG-CZ2 4.43Å; K543-W545 PolarHBondContact O-N 3.1Å; K543-W545 PolarHBondContact O-NE1 3.47Å
546	T	26.9	Very low	27.7	Very low	87 Å²	87	141.3 Å²	141.3	53%	0.534	71%	0.711	S	S	.	*			trans	-92.1	134.3	159.5	44.8	0	0	0	0	106.8	V544	V544-T546 HydrophobicContact CG1-CG2 3.8Å; V544-T546 PolarHBondContact O-N 3.33Å
547	L	25.6	Very low	27.7	Very low	143 Å²	143	142.1 Å²	142.1	75%	0.749	70%	0.703	S	S	*	*			trans	-44	141	161.1	-79.7	161.3	0	0	0	109	R549	L547-R549 PolarHBondContact O-N 2.87Å; L547-R549 VanDerWaalsContact O-N 3.17Å
548	P	25.1	Very low	27.8	Very low	104 Å²	104	140.4 Å²	140.4	68%	0.675	70%	0.695	S	S	*	*			trans	-48.7	126.8	-179.1	-23.3	31.1	0	0	0	110	E550	P548-E550 PolarHBondContact O-N 3.01Å
549	R	25.3	Very low	27.9	Very low	239 Å²	239	139 Å²	139	90%	0.902	69%	0.693	S	S	*	*	S	Bend	trans	-70	70.1	170.4	-73.8	-174.1	-178	-159.3	-0.3	108.9	L547	L547-R549 PolarHBondContact O-N 2.87Å; L547-R549 VanDerWaalsContact O-N 3.17Å
550	E	27.2	Very low	28.3	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	69%	0.686	S	S	*	*			trans	-131.3	49.5	170.3	-69.2	-171	-168.4	0	0	109.9	P548	P548-E550 PolarHBondContact O-N 3.01Å
551	F	28.5	Very low	28.5	Very low	191 Å²	191	136.4 Å²	136.4	84%	0.838	69%	0.686	S	S	*	*			trans	-136.1	78.1	154	-92.4	-86.7	0	0	0	106.1	S553	F551-S553 PolarHBondContact O-N 2.88Å
552	S	26.2	Very low	28.6	Very low	61 Å²	61	137.1 Å²	137.1	43%	0.427	68%	0.683	S	S	.	*			trans	-67.8	129.9	168.2	66	0	0	0	0	108	E554 K555	S552-E554 PolarHBondContact O-N 2.79Å; S552-K555 PolarHBondContact O-N 3.44Å
553	S	29.1	Very low	28.9	Very low	94 Å²	94	137.2 Å²	137.2	66%	0.657	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-1.1	174	46.8	0	0	0	0	114	F551 T557	F551-S553 PolarHBondContact O-N 2.88Å; S553-T557 PolarHBondContact O-OG1 3.31Å
554	E	28.9	Very low	29.3	Very low	144 Å²	144	135.9 Å²	135.9	67%	0.673	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-21.9	-178.2	-73.7	160.8	163.7	0	0	113.4	S552	S552-E554 PolarHBondContact O-N 2.79Å
555	K	29.4	Very low	29.4	Very low	160 Å²	160	139.6 Å²	139.6	70%	0.696	71%	0.705	S	S	*	*	S	Bend	trans	-84.6	-17.2	176	-90	-177.6	176.4	179.1	0	114.4	S552 T559	S552-K555 PolarHBondContact O-N 3.44Å; K555-T559 PolarHBondContact O-OG1 2.76Å
556	I	31.2	Very low	29.5	Very low	98 Å²	98	138.5 Å²	138.5	50%	0.503	71%	0.708	S	S	.	*	H	α-helix	trans	-82.3	-25.8	174.4	-65.4	173.9	0	0	0	110.8	L560	I556-L560 HydrophobicContact CG2-CD1 4.14Å; I556-L560 WeakPolarHBondContact O-CD1 3Å
557	T	31.1	Very low	29.6	Very low	83 Å²	83	141.9 Å²	141.9	51%	0.509	72%	0.723	S	S	.	*	H	α-helix	trans	-82.3	-16	-179	-44.3	0	0	0	0	113.5	S553 N561	S553-T557 PolarHBondContact O-OG1 3.31Å; T557-N561 PolarHBondContact O-ND2 3.43Å
558	Q	31.1	Very low	29.8	Very low	150 Å²	150	144.3 Å²	144.3	70%	0.701	73%	0.733	S	S	*	*	H	α-helix	trans	-93.2	-18.6	177	-83.3	-179.8	-11.8	0	0	114.3
559	T	30.9	Very low	30.1	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	74%	0.741	S	S	*	*	H	α-helix	trans	-89	-17.6	177.8	-44.4	0	0	0	0	112.7	K555	K555-T559 PolarHBondContact O-OG1 2.76Å
560	L	33	Very low	30.3	Very low	142 Å²	142	142 Å²	142	74%	0.743	74%	0.738	S	S	*	*	S	Bend	trans	-92.1	-5.6	-179.7	-72.1	166.8	0	0	0	114.6	I556	I556-L560 HydrophobicContact CG2-CD1 4.14Å; I556-L560 WeakPolarHBondContact O-CD1 3Å
561	N	35.1	Very low	30.4	Very low	121 Å²	121	143.4 Å²	143.4	65%	0.647	74%	0.741	S	S	*	*	S	Bend	trans	-100.7	10.4	-174.5	-85.3	-41	0	0	0	115.1	T557	T557-N561 PolarHBondContact O-ND2 3.43Å
562	N	31.1	Very low	30.4	Very low	131 Å²	131	144.6 Å²	144.6	70%	0.701	75%	0.746	S	S	*	*			trans	-130.6	84.5	-177.2	-78.5	-32.7	0	0	0	112.1
563	K	32.6	Very low	30.5	Very low	200 Å²	200	150.5 Å²	150.5	87%	0.87	77%	0.767	S	S	*	*	S	Bend	trans	166.4	150	135.1	-90.3	167	-177.1	-175	0	111.9
564	P	32	Very low	30.5	Very low	121 Å²	121	151.2 Å²	151.2	79%	0.786	77%	0.772	S	S	*	*			trans	-81	137.3	-152.7	-4.2	22.3	0	0	0	113.3	E566	P564-E566 PolarHBondContact O-N 2.81Å
565	L	28.6	Very low	30.5	Very low	185 Å²	185	151 Å²	151	97%	0.969	78%	0.781	S	S	*	*			trans	-87.5	77.3	174.2	-132.1	103.4	0	0	0	109.5
566	E	29.9	Very low	30.7	Very low	168 Å²	168	148.7 Å²	148.7	79%	0.785	79%	0.785	S	S	*	*			trans	-134	133.1	165.6	-82.7	-174.6	160.2	0	0	108.4	P564	P564-E566 PolarHBondContact O-N 2.81Å
567	N	30.8	Very low	30.9	Very low	157 Å²	157	152 Å²	152	84%	0.84	80%	0.803	S	S	*	*	S	Bend	trans	89.1	73.9	-179.7	-48.8	-38.6	0	0	0	116.6
568	M	30	Very low	31.2	Very low	194 Å²	194	152.7 Å²	152.7	96%	0.956	81%	0.812	S	S	*	*			trans	-166	35	144.6	-108.9	174.1	103.1	0	0	115
569	V	29.6	Very low	31.4	Very low	138 Å²	138	152.4 Å²	152.4	84%	0.836	82%	0.815	S	S	*	*	S	Bend	trans	-99.8	-6.1	176.7	173.4	0	0	0	0	114.2
570	N	29.9	Very low	31.6	Very low	158 Å²	158	151.6 Å²	151.6	85%	0.845	81%	0.814	S	S	*	*			trans	-116.9	59.7	-171.4	-69.3	-13.9	0	0	0	114.9
571	K	29.8	Very low	31.7	Very low	197 Å²	197	149.5 Å²	149.5	86%	0.857	81%	0.812	S	S	*	*	S	Bend	trans	-146.4	25.5	172.9	-133.2	176	-175.1	179.9	0	117.4
572	F	29.3	Very low	31.8	Very low	215 Å²	215	151 Å²	151	94%	0.943	82%	0.82	S	S	*	*	S	Bend	trans	-128.2	45.2	168	-98.7	-83	0	0	0	111.2
573	E	27.2	Very low	32.2	Very low	185 Å²	185	150 Å²	150	86%	0.864	82%	0.82	S	S	*	*			trans	-142.5	98.5	166.8	-75	-171.5	162	0	0	107.9
574	S	28.7	Very low	32.3	Very low	110 Å²	110	146.4 Å²	146.4	77%	0.769	82%	0.815	S	S	*	*			trans	164.1	149.7	152.9	45.1	0	0	0	0	109.3
575	T	28.9	Very low	32.3	Very low	140 Å²	140	147.7 Å²	147.7	86%	0.859	81%	0.814	S	S	*	*			trans	89.3	67.5	175.9	73.3	0	0	0	0	117.3
576	S	34.3	Very low	32.4	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	80%	0.8	S	S	*	*			trans	-148.8	98.3	134	64.6	0	0	0	0	111.3
577	N	35.3	Very low	32.6	Very low	167 Å²	167	143.7 Å²	143.7	89%	0.893	80%	0.798	S	S	*	*			trans	54	123.7	141.7	-62.2	-17.5	0	0	0	121.7
578	S	36.4	Very low	32.7	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	79%	0.794	S	S	*	*			trans	-76.5	155.4	171	49.1	0	0	0	0	113.9
579	D	35.3	Very low	32.4	Very low	143 Å²	143	141 Å²	141	77%	0.765	79%	0.791	S	S	*	*			trans	87	96.8	145.4	-62.2	-21.1	0	0	0	122
580	S	35.5	Very low	32.6	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	79%	0.793	S	S	*	*				83.2	123	113.8	70.6	0	0	0	0	121.9
581	S	36.4	Very low	32.7	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	79%	0.788	S	S	*	*			trans	57.6	129.3	143.8	51.1	0	0	0	0	118.1
582	D	36.2	Very low	33	Very low	153 Å²	153	138 Å²	138	82%	0.818	79%	0.785	S	S	*	*			cis	-160.6	164.9	27.7	-102.2	-33.1	0	0	0	110.2
583	P	39.1	Very low	33.3	Very low	108 Å²	108	133.9 Å²	133.9	70%	0.701	77%	0.773	S	S	*	*			trans	-98.3	164	-175.5	38.5	-31.4	0	0	0	112.6
584	V	35	Very low	33.7	Very low	125 Å²	125	130 Å²	130	76%	0.758	77%	0.766	S	S	*	*			trans	177	122.3	144.8	140.8	0	0	0	0	112.5
585	L	33.2	Very low	33.9	Very low	148 Å²	148	132.9 Å²	132.9	78%	0.775	77%	0.767	S	S	*	*			trans	60	146.3	142.7	-61.8	175.3	0	0	0	120.8
586	T	29.8	Very low	34.1	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	77%	0.765	S	S	*	*			cis	176.8	163.2	-31.6	20.1	0	0	0	0	104.6
587	E	33.2	Very low	34.4	Very low	159 Å²	159	139.2 Å²	139.2	74%	0.743	80%	0.796	S	S	*	*			trans	83.8	134.1	161.8	-54.6	-157.6	131.1	0	0	117.2
588	Q	32.8	Very low	34.4	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	79%	0.791	S	S	*	*			cis	-165.6	138	0.3	-110.4	172.4	20.2	0	0	107.2
589	C	25.2	Very low	34.3	Very low	132 Å²	132	139.8 Å²	139.8	89%	0.892	80%	0.796	S	S	*	*			trans	-84.2	143.8	161.9	-89	0	0	0	0	109.7
590	S	34.1	Very low	34.2	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	80%	0.798	S	S	*	*			trans	-141.1	128.7	150.5	98.5	0	0	0	0	111.4
591	V	30.6	Very low	34.1	Very low	121 Å²	121	141.9 Å²	141.9	73%	0.733	80%	0.803	S	S	*	*			trans	-75.3	149.2	175.2	171.6	0	0	0	0	109.9
592	K	35.8	Very low	34	Very low	186 Å²	186	144.6 Å²	144.6	81%	0.809	81%	0.809	S	S	*	*			trans	-176.9	114.1	134	-100.8	172	-178.6	-174.3	0	114.2
593	D	36	Very low	33.8	Very low	128 Å²	128	144 Å²	144	68%	0.684	81%	0.809	S	S	*	*				65	125.3	125.4	-60.5	-18	0	0	0	123.7
594	S	35.6	Very low	33.5	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	82%	0.817	S	S	*	*				98.2	106.8	126	66.6	0	0	0	0	121
595	H	33.9	Very low	33.3	Very low	171 Å²	171	148.2 Å²	148.2	79%	0.792	82%	0.821	S	S	*	*				57.9	128.5	126.9	-79	-78.4	0	0	0	123.9
596	E	32.4	Very low	33.4	Very low	173 Å²	173	148.3 Å²	148.3	81%	0.808	83%	0.825	S	S	*	*			trans	86.1	108.2	138.4	-74.2	179.3	177.4	0	0	121.9
597	C	40.9	Very low	33.7	Very low	210 Å²	210	151.7 Å²	151.7	100%	1.419	84%	0.839	S	S	*	*				-154.5	0	110	-93	0	0	0	0	110.6

Retrieved 597 of 597 residues in 148.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).