A0A3Q0KN88_SCHMA Loading...

Putative calpain 4, 6, 7, invertebrate

AlphaFold DB , UniProt , Accession A0A3Q0KN88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	35.1	Very low	235 Å²	235	156.3 Å²	156.3	100%	1.158	82%	0.817	S	S	*	*				0	74.6	0	-58.7	-171.3	-175	0	0	103.7
2	S	31.8	Very low	35.2	Very low	95 Å²	95	148.4 Å²	148.4	66%	0.664	80%	0.803	S	S	*	*				63.5	109.1	89.4	68.3	0	0	0	0	108.5
3	D	35.3	Very low	35	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	79%	0.792	S	S	*	*				-166.6	128.9	99.5	-77.7	-19.8	0	0	0	109.2
4	D	35.5	Very low	35.1	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	77%	0.772	S	S	*	*			trans	-66.4	119.1	170.7	-64.6	-62.5	0	0	0	108.7
5	E	39.8	Very low	35.4	Very low	179 Å²	179	142.9 Å²	142.9	84%	0.836	77%	0.774	S	S	*	*			trans	-107.6	83.7	162.4	-76.6	-171.4	166.5	0	0	108.6	E7	E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 PolarHBondContact O-N 3.33Å; E5-E7 VanDerWaalsContact O-N 3.13Å
6	E	35.5	Very low	35.6	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	77%	0.772	S	S	*	*			trans	-66.7	88.3	153.1	-76.2	-171.6	158.1	0	0	108.1	L8	E6-L8 PolarHBondContact O-N 2.82Å
7	E	35.5	Very low	35.6	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	77%	0.769	S	S	*	*			trans	-87.5	103.7	167.7	-117	-174	178	0	0	110.4	E5 V9	E5-E7 VanDerWaalsContact C-N 3.28Å; E5-E7 PolarHBondContact O-N 3.33Å; E5-E7 VanDerWaalsContact O-N 3.13Å; E7-V9 PolarHBondContact O-N 3.04Å
8	L	32.4	Very low	36	Very low	170 Å²	170	140.2 Å²	140.2	89%	0.89	77%	0.771	S	S	*	*			trans	-51.4	99.5	165.8	-70.4	157.8	0	0	0	109.9	E6 S10	E6-L8 PolarHBondContact O-N 2.82Å; L8-S10 PolarHBondContact O-N 3.28Å; L8-S10 VanDerWaalsContact O-N 3.1Å
9	V	38.9	Very low	36.2	Very low	99 Å²	99	140.9 Å²	140.9	60%	0.6	77%	0.774	S	S	*	*			trans	-69.3	109.9	168.7	-166.7	0	0	0	0	107.4	E7 E11	E7-V9 PolarHBondContact O-N 3.04Å; V9-E11 PolarHBondContact O-N 3.23Å
10	S	35.7	Very low	36.5	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	77%	0.771	S	S	*	*			trans	-42.4	120.4	176.7	54.8	0	0	0	0	111.8	L8 G12	L8-S10 PolarHBondContact O-N 3.28Å; L8-S10 VanDerWaalsContact O-N 3.1Å; S10-G12 VanDerWaalsContact C-N 3.28Å; S10-G12 PolarHBondContact O-N 3Å
11	E	31.2	Very low	36.6	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	77%	0.774	S	S	*	*			trans	-59.5	93.5	158.7	-67.4	-177.9	158.9	0	0	107.3	V9 S13	V9-E11 PolarHBondContact O-N 3.23Å; E11-S13 PolarHBondContact O-N 3.48Å
12	G	35.7	Very low	36.9	Very low	62 Å²	62	138.6 Å²	138.6	64%	0.639	75%	0.752	S	S	*	*			trans	-67	113	160.9	0	0	0	0	0	107.3	S10 D14	S10-G12 VanDerWaalsContact C-N 3.28Å; S10-G12 PolarHBondContact O-N 3Å; G12-D14 PolarHBondContact O-N 2.86Å; G12-D14 VanDerWaalsContact O-N 3.08Å
13	S	32.5	Very low	37.3	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	77%	0.765	S	S	*	*			trans	-53.3	102.8	-177.9	48	0	0	0	0	112.9	E11 E15	E11-S13 PolarHBondContact O-N 3.48Å; S13-E15 PolarHBondContact O-N 2.87Å
14	D	36	Very low	37.6	Very low	96 Å²	96	143.9 Å²	143.9	51%	0.513	76%	0.762	S	S	.	*			trans	-73.4	76.7	152.1	-67.1	-37.5	0	0	0	107.4	G12	G12-D14 PolarHBondContact O-N 2.86Å; G12-D14 VanDerWaalsContact O-N 3.08Å
15	E	40.9	Very low	37.8	Very low	171 Å²	171	140.3 Å²	140.3	80%	0.799	76%	0.763	S	S	*	*			trans	-86.6	133.1	164.7	-81.6	-172.6	174.6	0	0	109.4	S13 G17	S13-E15 PolarHBondContact O-N 2.87Å; E15-G17 PolarHBondContact O-N 3.03Å
16	D	37.1	Very low	38.3	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	75%	0.752	S	S	*	*			trans	-58.5	109.1	-176.1	-57.6	-66.1	0	0	0	111.4	E18	D16-E18 PolarHBondContact O-N 3.3Å
17	G	36.9	Very low	38.7	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	75%	0.753	S	S	*	*			trans	-88	94	164.8	0	0	0	0	0	109.5	E15 N19	E15-G17 PolarHBondContact O-N 3.03Å; G17-N19 PolarHBondContact O-N 2.76Å
18	E	42.5	Very low	39.6	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	75%	0.751	S	S	*	*			trans	-59.8	114.6	167.8	-70.8	-177.9	160.2	0	0	109.5	D16 L20	D16-E18 PolarHBondContact O-N 3.3Å; E18-L20 PolarHBondContact O-N 2.86Å
19	N	39	Very low	40.7	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	75%	0.747	S	S	*	*			trans	-63.8	101.4	167.6	-84.7	-19.7	0	0	0	109.4	G17	G17-N19 PolarHBondContact O-N 2.76Å
20	L	42.4	Very low	42	Very low	136 Å²	136	135.6 Å²	135.6	71%	0.712	75%	0.751	S	S	*	*			trans	-95.9	99.1	156.8	-77.7	163.4	0	0	0	107.4	E18 H22	E18-L20 PolarHBondContact O-N 2.86Å; L20-H22 VanDerWaalsContact C-N 3.31Å; L20-H22 PolarHBondContact O-N 3.05Å
21	E	38.2	Very low	43.8	Very low	181 Å²	181	134.6 Å²	134.6	85%	0.846	74%	0.74	S	S	*	*			trans	-62.9	93.3	166.4	-69.2	177.7	176.8	0	0	108.9
22	H	41.8	Very low	46.3	Very low	150 Å²	150	134 Å²	134	69%	0.694	74%	0.737	S	S	*	*			trans	-99.9	99.6	159	-81.3	-63.9	0	0	0	107.7	L20 E24	L20-H22 VanDerWaalsContact C-N 3.31Å; L20-H22 PolarHBondContact O-N 3.05Å; H22-E24 PolarHBondContact O-N 3Å
23	E	40.1	Very low	49	Very low	199 Å²	199	136 Å²	136	93%	0.93	73%	0.728	S	S	*	*			trans	-63.8	82.3	160	-73.7	-173.4	156.9	0	0	108.7
24	E	42.5	Very low	51.9	Low	156 Å²	156	137 Å²	137	73%	0.729	72%	0.717	S	S	*	*			trans	-91.2	106.8	159.4	-73.9	-164.5	166.5	0	0	107.9	H22 T26	H22-E24 PolarHBondContact O-N 3Å; E24-T26 VanDerWaalsContact C-N 3.27Å; E24-T26 PolarHBondContact O-N 2.92Å
25	G	39.8	Very low	54.8	Low	85 Å²	85	134.1 Å²	134.1	88%	0.876	71%	0.707	S	S	*	*			trans	-62.4	89.4	168.1	0	0	0	0	0	110	N27	G25-N27 PolarHBondContact O-N 3.28Å
26	T	49	Very low	57.5	Low	98 Å²	98	126.4 Å²	126.4	60%	0.601	67%	0.671	S	S	*	*			trans	-77.7	117.8	169.8	44.9	0	0	0	0	108.3	E24 E28	E24-T26 VanDerWaalsContact C-N 3.27Å; E24-T26 PolarHBondContact O-N 2.92Å; T26-E28 VanDerWaalsContact C-N 3.25Å; T26-E28 PolarHBondContact O-N 3.32Å
27	N	44.6	Very low	60.3	Low	167 Å²	167	122.3 Å²	122.3	89%	0.893	65%	0.651	S	S	*	*			trans	-65.8	88.6	168.2	-137.8	8.2	0	0	0	106.7	G25 E29	G25-N27 PolarHBondContact O-N 3.28Å; N27-E29 PolarHBondContact O-N 3.02Å; N27-E29 VanDerWaalsContact O-N 3.08Å
28	E	53.3	Low	63.2	Low	164 Å²	164	125.5 Å²	125.5	77%	0.766	65%	0.645	S	S	*	*			trans	-67.2	107.2	-179.5	-71.2	-170.4	168.2	0	0	109.5	T26	T26-E28 VanDerWaalsContact C-N 3.25Å; T26-E28 PolarHBondContact O-N 3.32Å
29	E	56.4	Low	65.8	Low	171 Å²	171	123 Å²	123	80%	0.799	63%	0.634	S	S	*	*			trans	-56.7	139.9	165.3	-71.8	-169.6	161.7	0	0	109	N27 V31	N27-E29 PolarHBondContact O-N 3.02Å; N27-E29 VanDerWaalsContact O-N 3.08Å; E29-V31 PolarHBondContact O-N 3.44Å
30	P	67	Low	68.6	Low	104 Å²	104	116.3 Å²	116.3	68%	0.675	60%	0.598	S	S	*	*			trans	-58.1	112.6	-178.1	22.7	-32.2	0	0	0	109.8	H32	P30-H32 PolarHBondContact O-N 3.22Å
31	V	72	Confident	71.2	Confident	83 Å²	83	109.9 Å²	109.9	50%	0.503	56%	0.564	S	S	.	*			trans	-63.3	115.4	-178.9	-176	0	0	0	0	109.2	E29 K33 F90	E29-V31 PolarHBondContact O-N 3.44Å; V31-K33 PolarHBondContact O-N 3.21Å; V31-F90 HydrophobicContact CB-CE2 4.49Å; V31-F90 HydrophobicContact CB-CZ 4.13Å; V31-F90 HydrophobicContact CG1-CE2 3.6Å; V31-F90 HydrophobicContact CG1-CZ 3.58Å
32	H	83.6	Confident	74	Confident	162 Å²	162	104.7 Å²	104.7	75%	0.75	55%	0.552	S	S	*	*			trans	-72.2	96.8	178.8	-70	-65.6	0	0	0	110.4	P30	P30-H32 PolarHBondContact O-N 3.22Å
33	K	92.2	Very high	76.6	Confident	102 Å²	102	105 Å²	105	44%	0.443	55%	0.554	S	S	.	*			trans	-65.5	141.1	169.7	-53.3	-174.1	-178.6	-176.5	0	109.7	V31 S68 F70 F90	V31-K33 PolarHBondContact O-N 3.21Å; K33-S68 CarbonylContact C-O 2.94Å; K33-S68 WeakPolarHBondContact CA-O 3.33Å; K33-F70 HydrophobicContact CB-CB 4.11Å; K33-F70 HydrophobicContact CB-CD1 3.63Å; K33-F70 HydrophobicContact CB-CE1 4.44Å; K33-F70 HydrophobicContact CB-CG 4.14Å; K33-F70 HydrophobicContact CD-CB 4.09Å; K33-F90 HydrophobicContact CB-CD2 4.49Å; K33-F90 HydrophobicContact CD-CB 3.86Å; K33-F90 HydrophobicContact CD-CD2 4.26Å; K33-F90 HydrophobicContact CD-CG 4Å; K33-F90 HydrophobicContact CG-CB 4.3Å; K33-F90 HydrophobicContact CG-CD2 3.78Å; K33-F90 HydrophobicContact CG-CE2 4.31Å; K33-F90 HydrophobicContact CG-CG 4.04Å
34	R	94.4	Very high	79.3	Confident	117 Å²	117	97.2 Å²	97.2	44%	0.442	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.8	176.2	63.3	178.9	176.9	173.5	-0.8	112.4	K67 S68 L69 F70	R34-K67 PolarHBondContact NE-O 3.46Å; R34-K67 PolarHBondContact NH2-O 2.76Å; R34-S68 PolarHBondContact N-O 2.92Å; R34-L69 HydrophobicContact CG-CD2 4.29Å; R34-L69 VanDerWaalsContact O-CA 3.27Å; R34-L69 WeakPolarHBondContact O-CA 3.06Å; R34-F70 VanDerWaalsContact C-CD1 3.44Å; R34-F70 VanDerWaalsContact C-CE1 3.47Å; R34-F70 VanDerWaalsContact O-CD1 3.31Å; R34-F70 WeakPolarHBondContact O-CD1 3.48Å; R34-F70 PolarHBondContact O-N 3.13Å; R34-F70 VanDerWaalsContact O-N 3.09Å
35	A	97	Very high	82	Confident	36 Å²	36	91.5 Å²	91.5	30%	0.298	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.6	171.2	0	0	0	0	0	110.4	T37 F70 D71	A35-T37 PolarHBondContact O-N 3.02Å; A35-F70 HydrophobicContact CB-CE1 4.49Å; A35-D71 HydrophobicContact CB-CB 4Å
36	L	97.4	Very high	84.6	Confident	9 Å²	9	89.4 Å²	89.4	5%	0.047	47%	0.465	C	S	.	.			trans	-69.5	125	171.8	-177.3	62.5	0	0	0	109.8	I40 I41 C64 L69 D71 I72 I74 L75	L36-I40 HydrophobicContact CD1-CB 3.99Å; L36-I40 HydrophobicContact CD1-CG2 3.63Å; L36-I41 HydrophobicContact CD1-CD1 4.49Å; L36-I41 HydrophobicContact CD1-CG1 3.82Å; L36-I41 HydrophobicContact CD2-CD1 3.78Å; L36-I41 HydrophobicContact CD2-CG1 3.8Å; L36-I41 HydrophobicContact CG-CD1 3.83Å; L36-I41 HydrophobicContact CG-CG1 3.71Å; L36-C64 HydrophobicContact CD1-CB 4.33Å; L36-L69 HydrophobicContact CB-CD1 4.44Å; L36-L69 HydrophobicContact CB-CD2 4.09Å; L36-L69 HydrophobicContact CD1-CD1 3.88Å; L36-L69 HydrophobicContact CD1-CD2 4.1Å; L36-D71 WeakPolarHBondContact CB-O 3.49Å; L36-D71 PolarHBondContact N-O 2.82Å; L36-I72 HydrophobicContact CB-CG2 4.44Å; L36-I72 HydrophobicContact CD2-CG2 4.35Å; L36-I74 HydrophobicContact CB-CG2 4.04Å; L36-I74 HydrophobicContact CD2-CG2 3.97Å; L36-I74 HydrophobicContact CG-CG2 3.94Å; L36-I74 WeakPolarHBondContact O-CG2 3.32Å; L36-L75 HydrophobicContact CD2-CD1 4.05Å; L36-L75 HydrophobicContact CD2-CD2 3.61Å; L36-L75 HydrophobicContact CD2-CG 3.71Å
37	T	97.3	Very high	86.8	Confident	51 Å²	51	88.6 Å²	88.6	31%	0.313	46%	0.456	S	S	.	.			trans	-108.9	163.9	-178.3	81.4	0	0	0	0	112.1	A35 E39 I40 I41	A35-T37 PolarHBondContact O-N 3.02Å; T37-E39 WeakPolarHBondContact CB-OE2 3.26Å; T37-E39 PolarHBondContact O-N 2.9Å; T37-E39 PolarHBondContact OG1-N 3.37Å; T37-E39 PolarHBondContact OG1-OE2 2.95Å; T37-I40 HydrophobicContact CG2-CD1 4.42Å; T37-I40 PolarHBondContact O-N 2.98Å; T37-I40 PolarHBondContact OG1-N 3.42Å; T37-I41 WeakPolarHBondContact O-CG1 3.47Å; T37-I41 PolarHBondContact O-N 3.11Å
38	K	96.8	Very high	89	Confident	137 Å²	137	85.1 Å²	85.1	60%	0.596	44%	0.443	S	S	*	.	H	α-helix	trans	-60.5	-35	176.7	-66.9	-172.9	178.4	175.6	0	112	I41 A42 I74	K38-I41 PolarHBondContact O-N 3.45Å; K38-A42 VanDerWaalsContact O-CB 3.3Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.3Å; K38-I74 HydrophobicContact CG-CD1 3.49Å; K38-I74 VanDerWaalsContact CG-CD1 3.49Å
39	E	97	Very high	90.8	Very high	122 Å²	122	82.4 Å²	82.4	57%	0.57	43%	0.426	S	S	*	.	H	α-helix	trans	-65.2	-49.1	178.7	-59.8	69.7	-148.8	0	0	110.2	T37 I41 A42 E43	T37-E39 WeakPolarHBondContact CB-OE2 3.26Å; T37-E39 PolarHBondContact O-N 2.9Å; T37-E39 PolarHBondContact OG1-N 3.37Å; T37-E39 PolarHBondContact OG1-OE2 2.95Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 3.41Å; E39-A42 PolarHBondContact O-N 3.49Å; E39-E43 WeakPolarHBondContact O-CG 3.47Å; E39-E43 PolarHBondContact O-N 3.25Å; E39-E43 VanDerWaalsContact O-N 3.14Å
40	I	97.1	Very high	92.4	Very high	13 Å²	13	80.6 Å²	80.6	7%	0.067	41%	0.412	C	S	.	.	H	α-helix	trans	-59.5	-45.9	176	-62	172.6	0	0	0	109.9	L36 T37 A42 E43 N44 L69	L36-I40 HydrophobicContact CD1-CB 3.99Å; L36-I40 HydrophobicContact CD1-CG2 3.63Å; T37-I40 HydrophobicContact CG2-CD1 4.42Å; T37-I40 PolarHBondContact O-N 2.98Å; T37-I40 PolarHBondContact OG1-N 3.42Å; I40-A42 PolarHBondContact O-N 2.86Å; I40-E43 PolarHBondContact O-N 3.22Å; I40-N44 WeakPolarHBondContact O-CB 3.32Å; I40-N44 PolarHBondContact O-N 3.41Å; I40-N44 PolarHBondContact O-ND2 3.44Å; I40-L69 HydrophobicContact CD1-CD2 4.47Å
41	I	97.4	Very high	93.1	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-48.2	178.6	-68.3	169.9	0	0	0	110.9	L36 T37 K38 E39 E43 N44 L45 L62 I74 L75 Y78	L36-I41 HydrophobicContact CD1-CD1 4.49Å; L36-I41 HydrophobicContact CD1-CG1 3.82Å; L36-I41 HydrophobicContact CD2-CD1 3.78Å; L36-I41 HydrophobicContact CD2-CG1 3.8Å; L36-I41 HydrophobicContact CG-CD1 3.83Å; L36-I41 HydrophobicContact CG-CG1 3.71Å; T37-I41 WeakPolarHBondContact O-CG1 3.47Å; T37-I41 PolarHBondContact O-N 3.11Å; K38-I41 PolarHBondContact O-N 3.45Å; E39-I41 VanDerWaalsContact C-N 3.32Å; E39-I41 PolarHBondContact O-N 3.41Å; I41-E43 PolarHBondContact O-N 3.14Å; I41-N44 CarbonylContact O-C 3.1Å; I41-N44 PolarHBondContact O-N 2.88Å; I41-L45 HydrophobicContact CG2-CD1 3.6Å; I41-L45 HydrophobicContact CG2-CD2 4.18Å; I41-L45 HydrophobicContact CG2-CG 3.68Å; I41-L45 VanDerWaalsContact O-CG 3.31Å; I41-L45 WeakPolarHBondContact O-CG 3.45Å; I41-L45 PolarHBondContact O-N 3.36Å; I41-L62 HydrophobicContact CG2-CD1 4.1Å; I41-I74 HydrophobicContact CD1-CD1 4.38Å; I41-I74 HydrophobicContact CD1-CG2 3.58Å; I41-L75 HydrophobicContact CD1-CD2 3.97Å; I41-Y78 HydrophobicContact CD1-CD2 4.3Å; I41-Y78 HydrophobicContact CD1-CE1 4.42Å; I41-Y78 HydrophobicContact CD1-CE2 3.61Å; I41-Y78 HydrophobicContact CG2-CD1 4.15Å; I41-Y78 HydrophobicContact CG2-CE1 3.47Å; I41-Y78 VanDerWaalsContact CG2-CE1 3.47Å
42	A	96.5	Very high	93.2	Very high	73 Å²	73	76.7 Å²	76.7	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-58.8	-35.5	-177.7	0	0	0	0	0	112.9	K38 E39 I40 N44	K38-A42 VanDerWaalsContact O-CB 3.3Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.3Å; E39-A42 PolarHBondContact O-N 3.49Å; I40-A42 PolarHBondContact O-N 2.86Å; A42-N44 VanDerWaalsContact C-N 3.31Å
43	E	97.1	Very high	92.7	Very high	157 Å²	157	78.9 Å²	78.9	73%	0.734	40%	0.403	S	S	*	.	H	α-helix	trans	-73.2	-21.6	176.6	-69.9	175.8	179.9	0	0	113.7	E39 I40 I41	E39-E43 WeakPolarHBondContact O-CG 3.47Å; E39-E43 PolarHBondContact O-N 3.25Å; E39-E43 VanDerWaalsContact O-N 3.14Å; I40-E43 PolarHBondContact O-N 3.22Å; I41-E43 PolarHBondContact O-N 3.14Å
44	N	97.9	Very high	91.9	Very high	34 Å²	34	76.4 Å²	76.4	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-117.7	2.8	-169.7	-69.5	-75.7	0	0	0	114	I40 I41 A42 L62 D63	I40-N44 WeakPolarHBondContact O-CB 3.32Å; I40-N44 PolarHBondContact O-N 3.41Å; I40-N44 PolarHBondContact O-ND2 3.44Å; I41-N44 CarbonylContact O-C 3.1Å; I41-N44 PolarHBondContact O-N 2.88Å; A42-N44 VanDerWaalsContact C-N 3.31Å; N44-L62 HydrophobicContact CB-CD1 4.18Å; N44-D63 WeakPolarHBondContact CB-O 3.39Å; N44-D63 VanDerWaalsContact CG-O 3.26Å; N44-D63 PolarHBondContact O-N 3.07Å; N44-D63 PolarHBondContact OD1-O 3.31Å; N44-D63 VanDerWaalsContact OD1-O 3.11Å
45	L	97.2	Very high	91.2	Very high	37 Å²	37	79 Å²	79	19%	0.194	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.2	171	-79.5	173.2	0	0	0	111.2	I41 Y59 K61 L62 Y78 L81	I41-L45 HydrophobicContact CG2-CD1 3.6Å; I41-L45 HydrophobicContact CG2-CD2 4.18Å; I41-L45 HydrophobicContact CG2-CG 3.68Å; I41-L45 VanDerWaalsContact O-CG 3.31Å; I41-L45 WeakPolarHBondContact O-CG 3.45Å; I41-L45 PolarHBondContact O-N 3.36Å; L45-Y59 HydrophobicContact CB-CD1 4.35Å; L45-Y59 HydrophobicContact CB-CD2 4.15Å; L45-Y59 HydrophobicContact CB-CG 3.87Å; L45-Y59 HydrophobicContact CD1-CD2 4.16Å; L45-Y59 HydrophobicContact CD1-CG 4.46Å; L45-K61 CarbonylContact C-O 3.6Å; L45-K61 WeakPolarHBondContact CA-O 3.38Å; L45-L62 HydrophobicContact CD2-CB 4.25Å; L45-L62 HydrophobicContact CD2-CD1 4.02Å; L45-L62 HydrophobicContact CG-CD1 4.26Å; L45-Y78 HydrophobicContact CD1-CE1 4.29Å; L45-L81 HydrophobicContact CD2-CD2 3.68Å
46	S	96.5	Very high	90.7	Very high	41 Å²	41	79.9 Å²	79.9	29%	0.287	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	173.7	179.3	61.2	0	0	0	0	112	I60 K61	S46-I60 PolarHBondContact O-N 2.87Å; S46-K61 PolarHBondContact N-O 3.19Å; S46-K61 PolarHBondContact O-N 2.87Å; S46-K61 VanDerWaalsContact O-N 3.1Å; S46-K61 WeakPolarHBondContact OG-CB 3.48Å; S46-K61 WeakPolarHBondContact OG-CD 3.35Å; S46-K61 WeakPolarHBondContact OG-CG 3.21Å
47	I	94.2	Very high	90.3	Very high	81 Å²	81	86.6 Å²	86.6	42%	0.415	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.1	83.6	-177.1	-50.4	-176.9	0	0	0	111.4	Y49 I60 K61	I47-Y49 PolarHBondContact O-N 2.8Å; I47-I60 HydrophobicContact CB-CG1 3.88Å; I47-I60 HydrophobicContact CG2-CD1 3.79Å; I47-I60 HydrophobicContact CG2-CG1 3.67Å; I47-I60 WeakPolarHBondContact O-CG1 3.25Å; I47-I60 PolarHBondContact O-N 2.79Å; I47-I60 VanDerWaalsContact O-N 3.14Å; I47-K61 HydrophobicContact CB-CB 4.19Å; I47-K61 HydrophobicContact CD1-CB 3.86Å; I47-K61 HydrophobicContact CD1-CD 3.57Å; I47-K61 HydrophobicContact CD1-CG 4.34Å; I47-K61 HydrophobicContact CG1-CB 3.96Å; I47-K61 HydrophobicContact CG1-CD 4.07Å
48	P	90.8	Very high	90.1	Very high	94 Å²	94	85 Å²	85	61%	0.61	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.8	170.3	28.7	-33.1	0	0	0	109.3	Y59	P48-Y59 HydrophobicContact CB-CD1 4.47Å; P48-Y59 HydrophobicContact CB-CE1 4.31Å
49	Y	90	Very high	90	Very high	107 Å²	107	84.5 Å²	84.5	42%	0.42	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.7	-178.7	-172.5	-95.3	0	0	0	109.8	I47 L51 Y57 A58 I60	I47-Y49 PolarHBondContact O-N 2.8Å; Y49-L51 PolarHBondContact O-N 3.17Å; Y49-Y57 VanDerWaalsContact O-CA 3.27Å; Y49-Y57 WeakPolarHBondContact O-CA 3.39Å; Y49-A58 PolarHBondContact N-O 2.95Å; Y49-A58 PolarHBondContact O-N 3.12Å; Y49-I60 VanDerWaalsContact CB-CG2 3.43Å; Y49-I60 HydrophobicContact CD1-CG2 4.37Å; Y49-I60 HydrophobicContact CD2-CD1 3.96Å; Y49-I60 HydrophobicContact CG-CD1 4.1Å; Y49-I60 HydrophobicContact CG-CG2 4.04Å
50	R	90	Very high	90	Very high	132 Å²	132	79.1 Å²	79.1	50%	0.498	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.5	175.1	-173.7	178	177.9	-178.5	0.7	109.1	G54 Y57	R50-G54 PolarHBondContact NE-O 3.29Å; R50-G54 PolarHBondContact NH2-O 2.88Å; R50-Y57 HydrophobicContact CB-CD1 4.05Å; R50-Y57 HydrophobicContact CB-CE1 3.73Å; R50-Y57 HydrophobicContact CG-CE1 4.17Å
51	L	83.4	Confident	90	Very high	29 Å²	29	81.6 Å²	81.6	15%	0.152	42%	0.424	C	S	.	.			trans	-69.6	139.9	174.1	-56.1	175.4	0	0	0	108.8	Y49 Y53 S56 A58	Y49-L51 PolarHBondContact O-N 3.17Å; L51-Y53 PolarHBondContact O-N 3.5Å; L51-S56 PolarHBondContact N-O 3.3Å; L51-A58 HydrophobicContact CD1-CB 4.16Å; L51-A58 HydrophobicContact CD2-CB 4.11Å; L51-A58 HydrophobicContact CG-CB 4.29Å
52	G	74.3	Confident	90.1	Very high	76 Å²	76	81.6 Å²	81.6	78%	0.784	42%	0.424	S	S	*	.	S	Bend	trans	-63.3	-1.8	-170.5	0	0	0	0	0	116.3
53	Y	72.1	Confident	90.2	Very high	209 Å²	209	80.8 Å²	80.8	82%	0.82	41%	0.409	S	S	*	.	S	Bend	trans	-118.1	113.1	177	-54.7	-75.2	0	0	0	109.6	L51 S56	L51-Y53 PolarHBondContact O-N 3.5Å; Y53-S56 PolarHBondContact O-OG 3.04Å; Y53-S56 VanDerWaalsContact O-OG 3.09Å
54	G	75.5	Confident	90.2	Very high	49 Å²	49	73.3 Å²	73.3	51%	0.505	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-138.4	174.6	0	0	0	0	0	115.6	R50	R50-G54 PolarHBondContact NE-O 3.29Å; R50-G54 PolarHBondContact NH2-O 2.88Å
55	F	79.5	Confident	90.2	Very high	173 Å²	173	72.8 Å²	72.8	76%	0.759	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	13.9	-178	-62.8	-76	0	0	0	112.7	Y57	F55-Y57 WeakPolarHBondContact O-CD2 3.26Å; F55-Y57 WeakPolarHBondContact O-CE2 3.43Å
56	S	86.3	Confident	90.2	Very high	54 Å²	54	76.3 Å²	76.3	38%	0.378	39%	0.392	S	S	.	.			trans	-73.8	140.6	179.9	48.4	0	0	0	0	111.4	L51 Y53	L51-S56 PolarHBondContact N-O 3.3Å; Y53-S56 PolarHBondContact O-OG 3.04Å; Y53-S56 VanDerWaalsContact O-OG 3.09Å
57	Y	90.2	Very high	90.2	Very high	149 Å²	149	77.1 Å²	77.1	58%	0.584	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.8	174.1	-66.1	-97	0	0	0	109.2	Y49 R50 F55	Y49-Y57 VanDerWaalsContact O-CA 3.27Å; Y49-Y57 WeakPolarHBondContact O-CA 3.39Å; R50-Y57 HydrophobicContact CB-CD1 4.05Å; R50-Y57 HydrophobicContact CB-CE1 3.73Å; R50-Y57 HydrophobicContact CG-CE1 4.17Å; F55-Y57 WeakPolarHBondContact O-CD2 3.26Å; F55-Y57 WeakPolarHBondContact O-CE2 3.43Å
58	A	92.6	Very high	90.3	Very high	18 Å²	18	75.2 Å²	75.2	15%	0.149	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.9	167.5	0	0	0	0	0	109.3	Y49 L51 H80	Y49-A58 PolarHBondContact N-O 2.95Å; Y49-A58 PolarHBondContact O-N 3.12Å; L51-A58 HydrophobicContact CD1-CB 4.16Å; L51-A58 HydrophobicContact CD2-CB 4.11Å; L51-A58 HydrophobicContact CG-CB 4.29Å; A58-H80 HydrophobicContact CB-CB 3.6Å
59	Y	94.7	Very high	90.7	Very high	126 Å²	126	70.8 Å²	70.8	49%	0.494	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.9	164.6	-67.1	-76.5	0	0	0	108.9	L45 P48	L45-Y59 HydrophobicContact CB-CD1 4.35Å; L45-Y59 HydrophobicContact CB-CD2 4.15Å; L45-Y59 HydrophobicContact CB-CG 3.87Å; L45-Y59 HydrophobicContact CD1-CD2 4.16Å; L45-Y59 HydrophobicContact CD1-CG 4.46Å; P48-Y59 HydrophobicContact CB-CD1 4.47Å; P48-Y59 HydrophobicContact CB-CE1 4.31Å
60	I	96.6	Very high	91	Very high	9 Å²	9	70.1 Å²	70.1	5%	0.046	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-6.3	-175.4	63.5	165.8	0	0	0	113.4	S46 I47 Y49 H80 R82 F83	S46-I60 PolarHBondContact O-N 2.87Å; I47-I60 HydrophobicContact CB-CG1 3.88Å; I47-I60 HydrophobicContact CG2-CD1 3.79Å; I47-I60 HydrophobicContact CG2-CG1 3.67Å; I47-I60 WeakPolarHBondContact O-CG1 3.25Å; I47-I60 PolarHBondContact O-N 2.79Å; I47-I60 VanDerWaalsContact O-N 3.14Å; Y49-I60 VanDerWaalsContact CB-CG2 3.43Å; Y49-I60 HydrophobicContact CD1-CG2 4.37Å; Y49-I60 HydrophobicContact CD2-CD1 3.96Å; Y49-I60 HydrophobicContact CG-CD1 4.1Å; Y49-I60 HydrophobicContact CG-CG2 4.04Å; I60-H80 WeakPolarHBondContact CG2-O 3.41Å; I60-R82 HydrophobicContact CB-CB 4.32Å; I60-R82 HydrophobicContact CB-CG 4.16Å; I60-R82 HydrophobicContact CG2-CG 4.47Å; I60-R82 PolarHBondContact O-N 3.2Å; I60-F83 HydrophobicContact CD1-CD2 4.27Å; I60-F83 HydrophobicContact CD1-CE2 4Å; I60-F83 HydrophobicContact CG1-CD2 4.46Å; I60-F83 PolarHBondContact O-N 3.19Å
61	K	98.2	Very high	91.3	Very high	65 Å²	65	66.9 Å²	66.9	28%	0.283	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.3	178.5	179.4	176.6	177.5	-172.1	0	110.4	L45 S46 I47 F83 M85	L45-K61 CarbonylContact C-O 3.6Å; L45-K61 WeakPolarHBondContact CA-O 3.38Å; S46-K61 PolarHBondContact N-O 3.19Å; S46-K61 PolarHBondContact O-N 2.87Å; S46-K61 VanDerWaalsContact O-N 3.1Å; S46-K61 WeakPolarHBondContact OG-CB 3.48Å; S46-K61 WeakPolarHBondContact OG-CD 3.35Å; S46-K61 WeakPolarHBondContact OG-CG 3.21Å; I47-K61 HydrophobicContact CB-CB 4.19Å; I47-K61 HydrophobicContact CD1-CB 3.86Å; I47-K61 HydrophobicContact CD1-CD 3.57Å; I47-K61 HydrophobicContact CD1-CG 4.34Å; I47-K61 HydrophobicContact CG1-CB 3.96Å; I47-K61 HydrophobicContact CG1-CD 4.07Å; K61-F83 CarbonylContact C-O 3.58Å; K61-F83 VanDerWaalsContact CA-O 3.27Å; K61-F83 WeakPolarHBondContact CA-O 3.35Å; K61-F83 HydrophobicContact CB-CB 4.04Å; K61-F83 HydrophobicContact CG-CB 3.93Å; K61-M85 HydrophobicContact CD-CE 4.31Å; K61-M85 HydrophobicContact CG-CE 4.24Å
62	L	98.5	Very high	92	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.9	173.5	179.7	65.4	0	0	0	109.3	I41 N44 L45 C64 L75 L81 F83 I84 M85	I41-L62 HydrophobicContact CG2-CD1 4.1Å; N44-L62 HydrophobicContact CB-CD1 4.18Å; L45-L62 HydrophobicContact CD2-CB 4.25Å; L45-L62 HydrophobicContact CD2-CD1 4.02Å; L45-L62 HydrophobicContact CG-CD1 4.26Å; L62-C64 VanDerWaalsContact CD1-SG 3.55Å; L62-L75 HydrophobicContact CD2-CD1 4.28Å; L62-L75 HydrophobicContact CD2-CD2 3.52Å; L62-L81 HydrophobicContact CB-CD1 3.96Å; L62-L81 HydrophobicContact CB-CD2 3.95Å; L62-L81 HydrophobicContact CD2-CD1 3.91Å; L62-F83 PolarHBondContact N-O 2.83Å; L62-I84 WeakPolarHBondContact O-CA 3.41Å; L62-M85 PolarHBondContact O-N 3.26Å
63	D	98.5	Very high	93.1	Very high	57 Å²	57	66 Å²	66	31%	0.305	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	96.7	173.4	-165.2	-17.2	0	0	0	111.1	N44 S65 M85	N44-D63 WeakPolarHBondContact CB-O 3.39Å; N44-D63 VanDerWaalsContact CG-O 3.26Å; N44-D63 PolarHBondContact O-N 3.07Å; N44-D63 PolarHBondContact OD1-O 3.31Å; N44-D63 VanDerWaalsContact OD1-O 3.11Å; D63-S65 WeakPolarHBondContact OD1-CB 3.46Å; D63-S65 PolarHBondContact OD1-N 3.16Å; D63-S65 PolarHBondContact OD1-OG 3.3Å; D63-M85 HydrophobicContact CB-CE 3.49Å; D63-M85 VanDerWaalsContact CB-CE 3.49Å; D63-M85 VanDerWaalsContact CG-CE 3.48Å; D63-M85 WeakPolarHBondContact OD2-CE 3.45Å
64	C	98	Very high	94.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.			trans	-117	37.9	177.7	-70.6	0	0	0	0	111.4	L36 L62 K67 L69 M85 L86 N89	L36-C64 HydrophobicContact CD1-CB 4.33Å; L62-C64 VanDerWaalsContact CD1-SG 3.55Å; C64-K67 HydrophobicContact CB-CG 4.3Å; C64-K67 WeakPolarHBondContact O-CG 3.33Å; C64-L69 HydrophobicContact CB-CD1 3.82Å; C64-M85 PolarHBondContact N-O 3.48Å; C64-L86 HydrophobicContact CB-CD2 3.82Å; C64-N89 PolarHBondContact O-ND2 3.48Å
65	S	97.8	Very high	95.3	Very high	23 Å²	23	56.2 Å²	56.2	16%	0.161	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	147.2	173.6	-44.3	0	0	0	0	111.2	D63 K67 S87	D63-S65 WeakPolarHBondContact OD1-CB 3.46Å; D63-S65 PolarHBondContact OD1-N 3.16Å; D63-S65 PolarHBondContact OD1-OG 3.3Å; S65-K67 WeakPolarHBondContact O-CG 3.33Å; S65-K67 PolarHBondContact O-N 3.27Å; S65-S87 CarbonylContact C-O 3.41Å; S65-S87 WeakPolarHBondContact CA-O 3.22Å; S65-S87 WeakPolarHBondContact CB-O 3.49Å
66	D	97.1	Very high	96.1	Very high	110 Å²	110	53 Å²	53	59%	0.588	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	40.6	174.8	-59.5	-86.7	0	0	0	114	S87 N88	D66-S87 PolarHBondContact N-O 2.78Å; D66-N88 WeakPolarHBondContact CA-O 3.25Å; D66-N88 HydrophobicContact CB-CB 4.42Å; D66-N88 WeakPolarHBondContact OD1-CB 3.46Å; D66-N88 PolarHBondContact OD1-ND2 3.34Å; D66-N88 VanDerWaalsContact OD1-ND2 3.16Å; D66-N88 PolarHBondContact OD2-ND2 2.88Å
67	K	96.6	Very high	96.5	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.252	27%	0.268	S	S	.	.	S	Bend	trans	-111.3	5.1	-176.5	-65.1	-59	179.5	-178.6	0	113.8	R34 C64 S65 L69 N89	R34-K67 PolarHBondContact NE-O 3.46Å; R34-K67 PolarHBondContact NH2-O 2.76Å; C64-K67 HydrophobicContact CB-CG 4.3Å; C64-K67 WeakPolarHBondContact O-CG 3.33Å; S65-K67 WeakPolarHBondContact O-CG 3.33Å; S65-K67 PolarHBondContact O-N 3.27Å; K67-L69 VanDerWaalsContact C-N 3.25Å; K67-L69 HydrophobicContact CB-CD1 3.88Å; K67-L69 HydrophobicContact CB-CD2 3.94Å; K67-L69 HydrophobicContact CB-CG 3.61Å; K67-L69 PolarHBondContact O-N 3.12Å; K67-N89 PolarHBondContact N-OD1 3.45Å; K67-N89 VanDerWaalsContact N-OD1 3.13Å
68	S	96.8	Very high	96.8	Very high	42 Å²	42	49.1 Å²	49.1	29%	0.294	25%	0.251	S	S	.	.			trans	56.6	38	-175.3	-57.3	0	0	0	0	112.7	K33 R34 N89	K33-S68 CarbonylContact C-O 2.94Å; K33-S68 WeakPolarHBondContact CA-O 3.33Å; R34-S68 PolarHBondContact N-O 2.92Å; S68-N89 PolarHBondContact N-OD1 3.21Å
69	L	97.5	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.4	-176.1	-57.4	172.7	0	0	0	111.3	R34 L36 I40 C64 K67 L86 N89 F90 I91	R34-L69 HydrophobicContact CG-CD2 4.29Å; R34-L69 VanDerWaalsContact O-CA 3.27Å; R34-L69 WeakPolarHBondContact O-CA 3.06Å; L36-L69 HydrophobicContact CB-CD1 4.44Å; L36-L69 HydrophobicContact CB-CD2 4.09Å; L36-L69 HydrophobicContact CD1-CD1 3.88Å; L36-L69 HydrophobicContact CD1-CD2 4.1Å; I40-L69 HydrophobicContact CD1-CD2 4.47Å; C64-L69 HydrophobicContact CB-CD1 3.82Å; K67-L69 VanDerWaalsContact C-N 3.25Å; K67-L69 HydrophobicContact CB-CD1 3.88Å; K67-L69 HydrophobicContact CB-CD2 3.94Å; K67-L69 HydrophobicContact CB-CG 3.61Å; K67-L69 PolarHBondContact O-N 3.12Å; L69-L86 HydrophobicContact CD1-CD2 4.23Å; L69-N89 HydrophobicContact CB-CB 4.15Å; L69-N89 WeakPolarHBondContact CB-OD1 3.2Å; L69-N89 WeakPolarHBondContact CG-OD1 3.46Å; L69-N89 PolarHBondContact N-OD1 2.85Å; L69-F90 CarbonylContact O-C 3.54Å; L69-F90 VanDerWaalsContact O-CA 3.29Å; L69-F90 WeakPolarHBondContact O-CA 3.48Å; L69-F90 WeakPolarHBondContact O-CB 3.47Å; L69-F90 PolarHBondContact O-N 3.03Å; L69-I91 PolarHBondContact O-N 2.95Å
70	F	96.6	Very high	96.8	Very high	94 Å²	94	50.1 Å²	50.1	41%	0.412	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-27.9	168.5	77.5	-83.4	0	0	0	113.1	K33 R34 A35 F90	K33-F70 HydrophobicContact CB-CB 4.11Å; K33-F70 HydrophobicContact CB-CD1 3.63Å; K33-F70 HydrophobicContact CB-CE1 4.44Å; K33-F70 HydrophobicContact CB-CG 4.14Å; K33-F70 HydrophobicContact CD-CB 4.09Å; R34-F70 VanDerWaalsContact C-CD1 3.44Å; R34-F70 VanDerWaalsContact C-CE1 3.47Å; R34-F70 VanDerWaalsContact O-CD1 3.31Å; R34-F70 WeakPolarHBondContact O-CD1 3.48Å; R34-F70 PolarHBondContact O-N 3.13Å; R34-F70 VanDerWaalsContact O-N 3.09Å; A35-F70 HydrophobicContact CB-CE1 4.49Å; F70-F90 HydrophobicContact CB-CB 4.23Å
71	D	97.1	Very high	96.8	Very high	64 Å²	64	49.8 Å²	49.8	34%	0.342	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	-178.1	175	13.7	0	0	0	109.7	A35 L36 E73	A35-D71 HydrophobicContact CB-CB 4Å; L36-D71 WeakPolarHBondContact CB-O 3.49Å; L36-D71 PolarHBondContact N-O 2.82Å; D71-E73 VanDerWaalsContact OD1-CB 3.3Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 3.12Å
72	I	97.9	Very high	96.7	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	25%	0.252	C	S	.	.			trans	-123.6	17.7	179.8	61.2	166.7	0	0	0	112.3	L36 I74 L75 L86 I91 P96 L97	L36-I72 HydrophobicContact CB-CG2 4.44Å; L36-I72 HydrophobicContact CD2-CG2 4.35Å; I72-I74 PolarHBondContact O-N 3.36Å; I72-L75 HydrophobicContact CB-CD1 3.98Å; I72-L75 HydrophobicContact CB-CG 4.24Å; I72-L75 HydrophobicContact CD1-CD1 4.32Å; I72-L75 HydrophobicContact CG2-CD1 4.45Å; I72-L75 VanDerWaalsContact O-CB 3.25Å; I72-L75 WeakPolarHBondContact O-CB 3.47Å; I72-L75 WeakPolarHBondContact O-CG 3.5Å; I72-L75 PolarHBondContact O-N 3.11Å; I72-L86 HydrophobicContact CD1-CD1 4.13Å; I72-I91 HydrophobicContact CD1-CD1 4.47Å; I72-I91 HydrophobicContact CD1-CG2 4.14Å; I72-I91 HydrophobicContact CG1-CG2 4.47Å; I72-I91 HydrophobicContact CG2-CD1 3.81Å; I72-I91 HydrophobicContact CG2-CG1 4.11Å; I72-P96 HydrophobicContact CG1-CB 4.26Å; I72-P96 HydrophobicContact CG1-CG 4.03Å; I72-P96 WeakPolarHBondContact O-CB 3.33Å; I72-L97 HydrophobicContact CD1-CD2 4.28Å; I72-L97 HydrophobicContact CD1-CG 4.23Å
73	E	97.4	Very high	96.7	Very high	83 Å²	83	51.9 Å²	51.9	39%	0.388	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-51.5	-36.1	-177.2	-177	57.5	-146.9	0	0	112.5	D71 L75 R76 P96	D71-E73 VanDerWaalsContact OD1-CB 3.3Å; D71-E73 WeakPolarHBondContact OD1-CB 3.41Å; D71-E73 PolarHBondContact OD1-N 3.12Å; E73-L75 PolarHBondContact O-N 3.28Å; E73-R76 VanDerWaalsContact O-CB 3.27Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.29Å; E73-R76 IonicContact OE1-NE 3.97Å; E73-R76 PolarHBondContact OE1-NE 3.19Å; E73-P96 WeakPolarHBondContact OE2-CG 3.32Å
74	I	97.2	Very high	96.7	Very high	53 Å²	53	49.2 Å²	49.2	27%	0.272	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-56.5	-24.8	178.6	-158.9	174	0	0	0	113.4	L36 K38 I41 I72 R76 G77 Y78	L36-I74 HydrophobicContact CB-CG2 4.04Å; L36-I74 HydrophobicContact CD2-CG2 3.97Å; L36-I74 HydrophobicContact CG-CG2 3.94Å; L36-I74 WeakPolarHBondContact O-CG2 3.32Å; K38-I74 HydrophobicContact CG-CD1 3.49Å; K38-I74 VanDerWaalsContact CG-CD1 3.49Å; I41-I74 HydrophobicContact CD1-CD1 4.38Å; I41-I74 HydrophobicContact CD1-CG2 3.58Å; I72-I74 PolarHBondContact O-N 3.36Å; I74-R76 PolarHBondContact O-N 2.91Å; I74-G77 PolarHBondContact O-N 2.96Å; I74-Y78 HydrophobicContact CG1-CE2 4.22Å; I74-Y78 VanDerWaalsContact O-CD2 3.26Å; I74-Y78 WeakPolarHBondContact O-CD2 3.32Å; I74-Y78 WeakPolarHBondContact O-CE2 3.46Å
75	L	97.2	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-65.9	-20	178.6	-68.4	-172	0	0	0	113.5	L36 I41 L62 I72 E73 G77 Y78 L81 L86 L97 M100	L36-L75 HydrophobicContact CD2-CD1 4.05Å; L36-L75 HydrophobicContact CD2-CD2 3.61Å; L36-L75 HydrophobicContact CD2-CG 3.71Å; I41-L75 HydrophobicContact CD1-CD2 3.97Å; L62-L75 HydrophobicContact CD2-CD1 4.28Å; L62-L75 HydrophobicContact CD2-CD2 3.52Å; I72-L75 HydrophobicContact CB-CD1 3.98Å; I72-L75 HydrophobicContact CB-CG 4.24Å; I72-L75 HydrophobicContact CD1-CD1 4.32Å; I72-L75 HydrophobicContact CG2-CD1 4.45Å; I72-L75 VanDerWaalsContact O-CB 3.25Å; I72-L75 WeakPolarHBondContact O-CB 3.47Å; I72-L75 WeakPolarHBondContact O-CG 3.5Å; I72-L75 PolarHBondContact O-N 3.11Å; E73-L75 PolarHBondContact O-N 3.28Å; L75-G77 PolarHBondContact O-N 3.34Å; L75-Y78 HydrophobicContact CD2-CD2 4.28Å; L75-Y78 PolarHBondContact O-N 2.84Å; L75-L81 HydrophobicContact CD2-CD1 4.36Å; L75-L86 HydrophobicContact CD1-CD1 4.11Å; L75-L97 HydrophobicContact CB-CD2 4.12Å; L75-L97 HydrophobicContact CD1-CD2 3.67Å; L75-M100 HydrophobicContact CB-CE 3.76Å; L75-M100 WeakPolarHBondContact O-CE 3.47Å
76	R	95.8	Very high	96.8	Very high	105 Å²	105	49.2 Å²	49.2	40%	0.396	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-52.8	-29.5	173.8	-172.3	-178.2	-92.4	-83.4	-0.4	112.4	E73 I74 P96 E99	E73-R76 VanDerWaalsContact O-CB 3.27Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.29Å; E73-R76 IonicContact OE1-NE 3.97Å; E73-R76 PolarHBondContact OE1-NE 3.19Å; I74-R76 PolarHBondContact O-N 2.91Å; R76-P96 WeakPolarHBondContact CA-O 3.24Å; R76-P96 PolarHBondContact N-O 3.22Å; R76-E99 HydrophobicContact CG-CG 3.95Å; R76-E99 IonicContact NH1-OE1 3.6Å; R76-E99 PolarHBondContact NH1-OE1 3.31Å
77	G	94.9	Very high	96.9	Very high	62 Å²	62	44.4 Å²	44.4	64%	0.639	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-84	-8.2	176.9	0	0	0	0	0	116.2	I74 L75 I79	I74-G77 PolarHBondContact O-N 2.96Å; L75-G77 PolarHBondContact O-N 3.34Å; G77-I79 PolarHBondContact O-N 2.87Å
78	Y	95.2	Very high	96.9	Very high	60 Å²	60	44.4 Å²	44.4	24%	0.235	23%	0.226	C	C	.	.			trans	-101.8	50.8	-173.1	-68	-99.7	0	0	0	112.1	I41 L45 I74 L75 H80 L81	I41-Y78 HydrophobicContact CD1-CD2 4.3Å; I41-Y78 HydrophobicContact CD1-CE1 4.42Å; I41-Y78 HydrophobicContact CD1-CE2 3.61Å; I41-Y78 HydrophobicContact CG2-CD1 4.15Å; I41-Y78 HydrophobicContact CG2-CE1 3.47Å; I41-Y78 VanDerWaalsContact CG2-CE1 3.47Å; L45-Y78 HydrophobicContact CD1-CE1 4.29Å; I74-Y78 HydrophobicContact CG1-CE2 4.22Å; I74-Y78 VanDerWaalsContact O-CD2 3.26Å; I74-Y78 WeakPolarHBondContact O-CD2 3.32Å; I74-Y78 WeakPolarHBondContact O-CE2 3.46Å; L75-Y78 HydrophobicContact CD2-CD2 4.28Å; L75-Y78 PolarHBondContact O-N 2.84Å; Y78-H80 PolarHBondContact O-N 3.46Å; Y78-L81 HydrophobicContact CG-CD1 4.43Å; Y78-L81 WeakPolarHBondContact O-CG 2.93Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-L81 VanDerWaalsContact O-N 3.07Å
79	I	94.1	Very high	97	Very high	82 Å²	82	42.7 Å²	42.7	42%	0.421	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14	-171.3	65.4	170.5	0	0	0	115.8	G77 E99	G77-I79 PolarHBondContact O-N 2.87Å; I79-E99 HydrophobicContact CG2-CB 4.43Å
80	H	94.4	Very high	97	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.38	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.9	-179	-63.1	-44.8	0	0	0	113.7	A58 I60 Y78	A58-H80 HydrophobicContact CB-CB 3.6Å; I60-H80 WeakPolarHBondContact CG2-O 3.41Å; Y78-H80 PolarHBondContact O-N 3.46Å
81	L	96.4	Very high	97.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.205	C	C	.	.			trans	-63.3	141.4	177.1	-69	176.3	0	0	0	111.3	L45 L62 L75 Y78 I84 M100	L45-L81 HydrophobicContact CD2-CD2 3.68Å; L62-L81 HydrophobicContact CB-CD1 3.96Å; L62-L81 HydrophobicContact CB-CD2 3.95Å; L62-L81 HydrophobicContact CD2-CD1 3.91Å; L75-L81 HydrophobicContact CD2-CD1 4.36Å; Y78-L81 HydrophobicContact CG-CD1 4.43Å; Y78-L81 WeakPolarHBondContact O-CG 2.93Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-L81 VanDerWaalsContact O-N 3.07Å; L81-I84 HydrophobicContact CB-CD1 3.9Å; L81-I84 HydrophobicContact CB-CG1 4.08Å; L81-I84 HydrophobicContact CD1-CD1 3.93Å; L81-I84 HydrophobicContact CD1-CG1 4.23Å; L81-M100 HydrophobicContact CB-CE 4.43Å; L81-M100 HydrophobicContact CB-SD 4.06Å; L81-M100 HydrophobicContact CD1-CE 4.01Å
82	R	96.5	Very high	97.1	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.177	21%	0.211	C	C	.	.			trans	-127.7	-30.6	-179.3	-60.1	-178.1	-176.4	-102.2	-1.8	112.3	I60 Q104 Y105	I60-R82 HydrophobicContact CB-CB 4.32Å; I60-R82 HydrophobicContact CB-CG 4.16Å; I60-R82 HydrophobicContact CG2-CG 4.47Å; I60-R82 PolarHBondContact O-N 3.2Å; R82-Q104 PolarHBondContact O-N 3.35Å; R82-Y105 PolarHBondContact O-N 3.05Å
83	F	98.4	Very high	97.1	Very high	63 Å²	63	44.8 Å²	44.8	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.3	179.9	-56.3	-93	0	0	0	108.9	I60 K61 L62 Y105	I60-F83 HydrophobicContact CD1-CD2 4.27Å; I60-F83 HydrophobicContact CD1-CE2 4Å; I60-F83 HydrophobicContact CG1-CD2 4.46Å; I60-F83 PolarHBondContact O-N 3.19Å; K61-F83 CarbonylContact C-O 3.58Å; K61-F83 VanDerWaalsContact CA-O 3.27Å; K61-F83 WeakPolarHBondContact CA-O 3.35Å; K61-F83 HydrophobicContact CB-CB 4.04Å; K61-F83 HydrophobicContact CG-CB 3.93Å; L62-F83 PolarHBondContact N-O 2.83Å; F83-Y105 WeakPolarHBondContact CA-O 3.39Å; F83-Y105 VanDerWaalsContact CD1-CB 3.44Å; F83-Y105 HydrophobicContact CD1-CG 4Å
84	I	98.5	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.8	-177.7	-64.3	-177.6	0	0	0	109	L62 L81 L86 L97 M100 L103 Y105 L106 K107	L62-I84 WeakPolarHBondContact O-CA 3.41Å; L81-I84 HydrophobicContact CB-CD1 3.9Å; L81-I84 HydrophobicContact CB-CG1 4.08Å; L81-I84 HydrophobicContact CD1-CD1 3.93Å; L81-I84 HydrophobicContact CD1-CG1 4.23Å; I84-L86 HydrophobicContact CG2-CD1 3.59Å; I84-L86 HydrophobicContact CG2-CG 3.63Å; I84-L97 HydrophobicContact CD1-CD2 4.09Å; I84-M100 HydrophobicContact CD1-CE 3.89Å; I84-M100 HydrophobicContact CD1-SD 3.28Å; I84-M100 WeakPolarHBondContact CD1-SD 3.48Å; I84-L103 HydrophobicContact CB-CD1 4.32Å; I84-L103 HydrophobicContact CD1-CD1 3.75Å; I84-L103 HydrophobicContact CG1-CD1 3.88Å; I84-Y105 PolarHBondContact N-O 3.22Å; I84-L106 HydrophobicContact CB-CD1 3.8Å; I84-L106 HydrophobicContact CG2-CD1 3.74Å; I84-L106 WeakPolarHBondContact O-CA 3.33Å; I84-K107 PolarHBondContact O-N 3.46Å
85	M	98.7	Very high	97.1	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.3	169.9	-58.9	158.2	-69	0	0	108.4	K61 L62 D63 C64 Y105 K107	K61-M85 HydrophobicContact CD-CE 4.31Å; K61-M85 HydrophobicContact CG-CE 4.24Å; L62-M85 PolarHBondContact O-N 3.26Å; D63-M85 HydrophobicContact CB-CE 3.49Å; D63-M85 VanDerWaalsContact CB-CE 3.49Å; D63-M85 VanDerWaalsContact CG-CE 3.48Å; D63-M85 WeakPolarHBondContact OD2-CE 3.45Å; C64-M85 PolarHBondContact N-O 3.48Å; M85-Y105 HydrophobicContact CG-CE1 4.04Å; M85-Y105 HydrophobicContact SD-CE1 4.49Å; M85-K107 HydrophobicContact CB-CB 4.31Å; M85-K107 HydrophobicContact CG-CB 4.09Å; M85-K107 HydrophobicContact CG-CD 4.2Å; M85-K107 HydrophobicContact CG-CG 4.48Å
86	L	98.6	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-132.1	27.2	-178.2	-66.7	169	0	0	0	110	C64 L69 I72 L75 I84 N89 I91 K107 V108 N111	C64-L86 HydrophobicContact CB-CD2 3.82Å; L69-L86 HydrophobicContact CD1-CD2 4.23Å; I72-L86 HydrophobicContact CD1-CD1 4.13Å; L75-L86 HydrophobicContact CD1-CD1 4.11Å; I84-L86 HydrophobicContact CG2-CD1 3.59Å; I84-L86 HydrophobicContact CG2-CG 3.63Å; L86-N89 VanDerWaalsContact C-ND2 3.35Å; L86-N89 PolarHBondContact O-ND2 3.35Å; L86-I91 HydrophobicContact CB-CD1 3.77Å; L86-I91 HydrophobicContact CD1-CD1 4.02Å; L86-I91 HydrophobicContact CD2-CD1 4.41Å; L86-I91 HydrophobicContact CG-CD1 4.29Å; L86-K107 PolarHBondContact N-O 3.13Å; L86-V108 HydrophobicContact CB-CG1 4.12Å; L86-V108 HydrophobicContact CD1-CG1 4.3Å; L86-N111 PolarHBondContact O-ND2 3.42Å
87	S	98.5	Very high	97.1	Very high	10 Å²	10	35 Å²	35	7%	0.07	19%	0.191	C	C	.	.			trans	-61.6	153.4	-176.9	-49	0	0	0	0	111.7	S65 D66 N89 D109	S65-S87 CarbonylContact C-O 3.41Å; S65-S87 WeakPolarHBondContact CA-O 3.22Å; S65-S87 WeakPolarHBondContact CB-O 3.49Å; D66-S87 PolarHBondContact N-O 2.78Å; S87-N89 PolarHBondContact O-ND2 2.89Å; S87-D109 CarbonylContact C-O 3.59Å; S87-D109 WeakPolarHBondContact CA-O 3.5Å; S87-D109 VanDerWaalsContact CB-OD1 3.32Å; S87-D109 WeakPolarHBondContact CB-OD1 3.49Å; S87-D109 PolarHBondContact OG-OD1 3.32Å
88	N	98.3	Very high	97	Very high	57 Å²	57	34.1 Å²	34.1	31%	0.305	17%	0.174	S	C	.	.	S	Bend	trans	57.3	54.5	175.4	-49.7	-54.1	0	0	0	113.1	D66 D109 N110	D66-N88 WeakPolarHBondContact CA-O 3.25Å; D66-N88 HydrophobicContact CB-CB 4.42Å; D66-N88 WeakPolarHBondContact OD1-CB 3.46Å; D66-N88 PolarHBondContact OD1-ND2 3.34Å; D66-N88 VanDerWaalsContact OD1-ND2 3.16Å; D66-N88 PolarHBondContact OD2-ND2 2.88Å; N88-D109 PolarHBondContact N-O 2.8Å; N88-N110 VanDerWaalsContact CA-O 3.31Å; N88-N110 WeakPolarHBondContact CA-O 3.4Å; N88-N110 PolarHBondContact N-O 2.94Å; N88-N110 WeakPolarHBondContact OD1-CB 3.18Å; N88-N110 PolarHBondContact OD1-ND2 3.23Å
89	N	98.2	Very high	96.7	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	18%	0.184	C	C	.	.	S	Bend	trans	-131.9	-168.6	177.7	-77.1	-61.9	0	0	0	110	C64 K67 S68 L69 L86 S87 I91 N110 N111	C64-N89 PolarHBondContact O-ND2 3.48Å; K67-N89 PolarHBondContact N-OD1 3.45Å; K67-N89 VanDerWaalsContact N-OD1 3.13Å; S68-N89 PolarHBondContact N-OD1 3.21Å; L69-N89 HydrophobicContact CB-CB 4.15Å; L69-N89 WeakPolarHBondContact CB-OD1 3.2Å; L69-N89 WeakPolarHBondContact CG-OD1 3.46Å; L69-N89 PolarHBondContact N-OD1 2.85Å; L86-N89 VanDerWaalsContact C-ND2 3.35Å; L86-N89 PolarHBondContact O-ND2 3.35Å; S87-N89 PolarHBondContact O-ND2 2.89Å; N89-I91 HydrophobicContact CB-CD1 4.13Å; N89-I91 HydrophobicContact CB-CG1 4.13Å; N89-N110 PolarHBondContact N-O 3.3Å; N89-N110 VanDerWaalsContact N-O 3.07Å; N89-N111 WeakPolarHBondContact CA-OD1 3.22Å; N89-N111 WeakPolarHBondContact CB-OD1 3.29Å; N89-N111 PolarHBondContact O-OD1 3.22Å
90	F	98	Very high	96.7	Very high	51 Å²	51	32 Å²	32	22%	0.224	16%	0.164	C	C	.	.			trans	-118.4	28.2	-178.9	-57	-74.2	0	0	0	111.8	V31 K33 L69 F70 N111	V31-F90 HydrophobicContact CB-CE2 4.49Å; V31-F90 HydrophobicContact CB-CZ 4.13Å; V31-F90 HydrophobicContact CG1-CE2 3.6Å; V31-F90 HydrophobicContact CG1-CZ 3.58Å; K33-F90 HydrophobicContact CB-CD2 4.49Å; K33-F90 HydrophobicContact CD-CB 3.86Å; K33-F90 HydrophobicContact CD-CD2 4.26Å; K33-F90 HydrophobicContact CD-CG 4Å; K33-F90 HydrophobicContact CG-CB 4.3Å; K33-F90 HydrophobicContact CG-CD2 3.78Å; K33-F90 HydrophobicContact CG-CE2 4.31Å; K33-F90 HydrophobicContact CG-CG 4.04Å; L69-F90 CarbonylContact O-C 3.54Å; L69-F90 VanDerWaalsContact O-CA 3.29Å; L69-F90 WeakPolarHBondContact O-CA 3.48Å; L69-F90 WeakPolarHBondContact O-CB 3.47Å; L69-F90 PolarHBondContact O-N 3.03Å; F70-F90 HydrophobicContact CB-CB 4.23Å; F90-N111 PolarHBondContact N-OD1 3.29Å
91	I	98.2	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-71.5	134.6	-175.6	-60.3	164.3	0	0	0	109.2	L69 I72 L86 N89 D93 L94 N111 Q112 I113	L69-I91 PolarHBondContact O-N 2.95Å; I72-I91 HydrophobicContact CD1-CD1 4.47Å; I72-I91 HydrophobicContact CD1-CG2 4.14Å; I72-I91 HydrophobicContact CG1-CG2 4.47Å; I72-I91 HydrophobicContact CG2-CD1 3.81Å; I72-I91 HydrophobicContact CG2-CG1 4.11Å; L86-I91 HydrophobicContact CB-CD1 3.77Å; L86-I91 HydrophobicContact CD1-CD1 4.02Å; L86-I91 HydrophobicContact CD2-CD1 4.41Å; L86-I91 HydrophobicContact CG-CD1 4.29Å; N89-I91 HydrophobicContact CB-CD1 4.13Å; N89-I91 HydrophobicContact CB-CG1 4.13Å; I91-D93 VanDerWaalsContact CG2-O 3.31Å; I91-D93 WeakPolarHBondContact CG2-O 3.41Å; I91-L94 HydrophobicContact CG2-CD2 4.13Å; I91-N111 HydrophobicContact CB-CB 4.47Å; I91-N111 VanDerWaalsContact CB-OD1 3.26Å; I91-N111 WeakPolarHBondContact CB-OD1 3.26Å; I91-N111 WeakPolarHBondContact CG1-OD1 3.08Å; I91-N111 PolarHBondContact N-OD1 3.38Å; I91-Q112 CarbonylContact O-C 3.19Å; I91-Q112 WeakPolarHBondContact O-CA 3.27Å; I91-Q112 PolarHBondContact O-N 2.87Å; I91-I113 PolarHBondContact O-N 3.39Å
92	T	97.7	Very high	96.3	Very high	77 Å²	77	33.9 Å²	33.9	47%	0.472	18%	0.182	S	C	.	.			trans	-113.9	-31.8	173.9	52.4	0	0	0	0	112.1	Q112	T92-Q112 HydrophobicContact CG2-CB 3.74Å
93	D	97.4	Very high	96.3	Very high	76 Å²	76	31.7 Å²	31.7	41%	0.406	17%	0.174	S	C	.	.			trans	-112.6	130.7	-175.4	-177.9	25.5	0	0	0	111.8	I91 S95	I91-D93 VanDerWaalsContact CG2-O 3.31Å; I91-D93 WeakPolarHBondContact CG2-O 3.41Å; D93-S95 VanDerWaalsContact OD1-CB 3.26Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 3.33Å; D93-S95 WeakPolarHBondContact OD2-CB 3.4Å; D93-S95 PolarHBondContact OD2-OG 2.89Å
94	L	97.4	Very high	96.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.			trans	-106.7	-0.4	177.2	-61.5	-179	0	0	0	113.2	I91 P96 L97 V108 I113 A116 S118 L119 L130	I91-L94 HydrophobicContact CG2-CD2 4.13Å; L94-P96 VanDerWaalsContact O-N 3.16Å; L94-L97 HydrophobicContact CD2-CD1 4.15Å; L94-L97 WeakPolarHBondContact O-CB 3.34Å; L94-L97 PolarHBondContact O-N 3.48Å; L94-V108 HydrophobicContact CD2-CG1 4Å; L94-I113 HydrophobicContact CD1-CD1 4Å; L94-I113 HydrophobicContact CD1-CG1 4.44Å; L94-I113 HydrophobicContact CD1-CG2 4.06Å; L94-I113 HydrophobicContact CD2-CD1 3.87Å; L94-I113 HydrophobicContact CD2-CG1 4.34Å; L94-I113 HydrophobicContact CG-CD1 4.1Å; L94-I113 HydrophobicContact CG-CG1 4.27Å; L94-I113 HydrophobicContact CG-CG2 4.4Å; L94-A116 HydrophobicContact CD1-CB 4.2Å; L94-S118 WeakPolarHBondContact CB-OG 3.36Å; L94-L119 HydrophobicContact CB-CD2 4.2Å; L94-L119 HydrophobicContact CB-CG 4.39Å; L94-L119 HydrophobicContact CD1-CD1 3.88Å; L94-L119 HydrophobicContact CD1-CG 4.13Å; L94-L130 HydrophobicContact CD1-CD2 4.34Å
95	S	96.5	Very high	96.3	Very high	33 Å²	33	33.4 Å²	33.4	23%	0.231	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-53.2	-29.4	178.5	81.8	0	0	0	0	115.4	D93 L97 T98 S118	D93-S95 VanDerWaalsContact OD1-CB 3.26Å; D93-S95 WeakPolarHBondContact OD1-CB 3.38Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 3.33Å; D93-S95 WeakPolarHBondContact OD2-CB 3.4Å; D93-S95 PolarHBondContact OD2-OG 2.89Å; S95-L97 PolarHBondContact O-N 2.99Å; S95-L97 VanDerWaalsContact O-N 3.13Å; S95-T98 WeakPolarHBondContact O-CB 3.31Å; S95-T98 PolarHBondContact O-N 2.82Å; S95-T98 VanDerWaalsContact O-N 3.16Å; S95-T98 PolarHBondContact O-OG1 3.36Å; S95-S118 PolarHBondContact N-OG 3.33Å
96	P	96.5	Very high	96.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.013	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.6	-16.1	175.4	-26.8	40.3	0	0	0	114.1	I72 E73 R76 L94	I72-P96 HydrophobicContact CG1-CB 4.26Å; I72-P96 HydrophobicContact CG1-CG 4.03Å; I72-P96 WeakPolarHBondContact O-CB 3.33Å; E73-P96 WeakPolarHBondContact OE2-CG 3.32Å; R76-P96 WeakPolarHBondContact CA-O 3.24Å; R76-P96 PolarHBondContact N-O 3.22Å; L94-P96 VanDerWaalsContact O-N 3.16Å
97	L	96.6	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-87.7	-11.3	178.8	-53.6	-176	0	0	0	113	I72 L75 I84 L94 S95 E99 M100 L106 L119	I72-L97 HydrophobicContact CD1-CD2 4.28Å; I72-L97 HydrophobicContact CD1-CG 4.23Å; L75-L97 HydrophobicContact CB-CD2 4.12Å; L75-L97 HydrophobicContact CD1-CD2 3.67Å; I84-L97 HydrophobicContact CD1-CD2 4.09Å; L94-L97 HydrophobicContact CD2-CD1 4.15Å; L94-L97 WeakPolarHBondContact O-CB 3.34Å; L94-L97 PolarHBondContact O-N 3.48Å; S95-L97 PolarHBondContact O-N 2.99Å; S95-L97 VanDerWaalsContact O-N 3.13Å; L97-E99 PolarHBondContact O-N 2.98Å; L97-M100 HydrophobicContact CD2-CE 3.88Å; L97-M100 HydrophobicContact CD2-SD 4.02Å; L97-M100 WeakPolarHBondContact O-CB 3.47Å; L97-M100 PolarHBondContact O-N 3.45Å; L97-L106 HydrophobicContact CD1-CD1 3.83Å; L97-L106 HydrophobicContact CD1-CD2 3.93Å; L97-L119 HydrophobicContact CB-CD2 3.91Å; L97-L119 HydrophobicContact CD1-CD2 4.26Å
98	T	92.9	Very high	96.3	Very high	44 Å²	44	34.4 Å²	34.4	27%	0.27	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.3	-173.7	-59.4	0	0	0	0	113.4	S95 M100 S118 S121	S95-T98 WeakPolarHBondContact O-CB 3.31Å; S95-T98 PolarHBondContact O-N 2.82Å; S95-T98 VanDerWaalsContact O-N 3.16Å; S95-T98 PolarHBondContact O-OG1 3.36Å; T98-M100 VanDerWaalsContact C-N 3.27Å; T98-M100 PolarHBondContact O-N 2.85Å; T98-S118 PolarHBondContact OG1-O 3.47Å; T98-S121 WeakPolarHBondContact CG2-OG 3.24Å; T98-S121 PolarHBondContact O-OG 2.66Å
99	E	89.9	Confident	96.3	Very high	97 Å²	97	33.2 Å²	33.2	45%	0.453	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.2	179.7	-58	-59.5	155.6	0	0	113.3	R76 I79 L97 S101	R76-E99 HydrophobicContact CG-CG 3.95Å; R76-E99 IonicContact NH1-OE1 3.6Å; R76-E99 PolarHBondContact NH1-OE1 3.31Å; I79-E99 HydrophobicContact CG2-CB 4.43Å; L97-E99 PolarHBondContact O-N 2.98Å; E99-S101 VanDerWaalsContact C-N 3.26Å; E99-S101 PolarHBondContact O-N 3.44Å
100	M	93.3	Very high	96.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.195	C	C	.	.			trans	-82.5	72	-177.7	-59	-178.5	-176.4	0	0	110.9	L75 L81 I84 L97 T98 N102 L103	L75-M100 HydrophobicContact CB-CE 3.76Å; L75-M100 WeakPolarHBondContact O-CE 3.47Å; L81-M100 HydrophobicContact CB-CE 4.43Å; L81-M100 HydrophobicContact CB-SD 4.06Å; L81-M100 HydrophobicContact CD1-CE 4.01Å; I84-M100 HydrophobicContact CD1-CE 3.89Å; I84-M100 HydrophobicContact CD1-SD 3.28Å; I84-M100 WeakPolarHBondContact CD1-SD 3.48Å; L97-M100 HydrophobicContact CD2-CE 3.88Å; L97-M100 HydrophobicContact CD2-SD 4.02Å; L97-M100 WeakPolarHBondContact O-CB 3.47Å; L97-M100 PolarHBondContact O-N 3.45Å; T98-M100 VanDerWaalsContact C-N 3.27Å; T98-M100 PolarHBondContact O-N 2.85Å; M100-N102 PolarHBondContact O-N 2.85Å; M100-L103 HydrophobicContact CB-CB 4.17Å; M100-L103 WeakPolarHBondContact O-CB 3.27Å; M100-L103 PolarHBondContact O-N 3.11Å
101	S	88.8	Confident	96.4	Very high	67 Å²	67	34.7 Å²	34.7	47%	0.469	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.8	-174.8	76.6	0	0	0	0	114.4	E99 Y124	E99-S101 VanDerWaalsContact C-N 3.26Å; E99-S101 PolarHBondContact O-N 3.44Å; S101-Y124 WeakPolarHBondContact O-CD2 3.48Å
102	N	93.3	Very high	96.3	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	15	-179.9	-69.4	-84.2	0	0	0	113	M100 Q104	M100-N102 PolarHBondContact O-N 2.85Å; N102-Q104 PolarHBondContact O-N 3.47Å
103	L	97	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.			trans	-60.2	129.2	176.5	-169.6	65.6	0	0	0	110.2	I84 M100 L106 Y124 L125	I84-L103 HydrophobicContact CB-CD1 4.32Å; I84-L103 HydrophobicContact CD1-CD1 3.75Å; I84-L103 HydrophobicContact CG1-CD1 3.88Å; M100-L103 HydrophobicContact CB-CB 4.17Å; M100-L103 WeakPolarHBondContact O-CB 3.27Å; M100-L103 PolarHBondContact O-N 3.11Å; L103-L106 HydrophobicContact CD2-CB 4.17Å; L103-L106 HydrophobicContact CD2-CD1 4.49Å; L103-L106 HydrophobicContact CD2-CD2 4.13Å; L103-Y124 CarbonylContact O-C 3.54Å; L103-L125 HydrophobicContact CD2-CD1 4.14Å; L103-L125 HydrophobicContact CG-CD1 3.92Å; L103-L125 WeakPolarHBondContact O-CA 3.47Å; L103-L125 PolarHBondContact O-N 2.87Å; L103-L125 VanDerWaalsContact O-N 3.15Å
104	Q	97.7	Very high	96.4	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.201	18%	0.184	C	C	.	.			trans	-119.2	-33.2	-175.2	-73.1	171.8	7.4	0	0	112.3	R82 N102 Q126 Y127	R82-Q104 PolarHBondContact O-N 3.35Å; N102-Q104 PolarHBondContact O-N 3.47Å; Q104-Q126 PolarHBondContact O-N 2.92Å; Q104-Y127 PolarHBondContact O-N 3.21Å
105	Y	98.6	Very high	96.3	Very high	56 Å²	56	37 Å²	37	22%	0.22	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	120.2	-176.3	-175.2	-80.6	0	0	0	109.3	R82 F83 I84 M85 K107 Y127	R82-Y105 PolarHBondContact O-N 3.05Å; F83-Y105 WeakPolarHBondContact CA-O 3.39Å; F83-Y105 VanDerWaalsContact CD1-CB 3.44Å; F83-Y105 HydrophobicContact CD1-CG 4Å; I84-Y105 PolarHBondContact N-O 3.22Å; M85-Y105 HydrophobicContact CG-CE1 4.04Å; M85-Y105 HydrophobicContact SD-CE1 4.49Å; Y105-K107 HydrophobicContact CE1-CB 4.43Å; Y105-K107 HydrophobicContact CE1-CD 3.8Å; Y105-K107 HydrophobicContact CE1-CG 3.63Å; Y105-K107 WeakPolarHBondContact OH-CD 3.31Å; Y105-K107 WeakPolarHBondContact OH-CE 3.39Å; Y105-K107 PolarHBondContact OH-NZ 3.46Å; Y105-Y127 HydrophobicContact CD1-CD1 4.47Å; Y105-Y127 AromaticContact CD2-CD1 3.61Å; Y105-Y127 HydrophobicContact CD2-CD1 3.61Å; Y105-Y127 HydrophobicContact CD2-CD2 4.41Å; Y105-Y127 HydrophobicContact CD2-CE1 4.4Å; Y105-Y127 AromaticContact CD2-CG 3.6Å; Y105-Y127 HydrophobicContact CD2-CG 3.6Å; Y105-Y127 HydrophobicContact CE1-CD1 4.23Å; Y105-Y127 HydrophobicContact CE1-CE1 4.34Å; Y105-Y127 AromaticContact CE2-CD1 3.28Å; Y105-Y127 HydrophobicContact CE2-CD1 3.28Å; Y105-Y127 AromaticContact CE2-CD2 3.95Å; Y105-Y127 HydrophobicContact CE2-CD2 3.95Å; Y105-Y127 AromaticContact CE2-CE1 3.65Å; Y105-Y127 HydrophobicContact CE2-CE1 3.65Å; Y105-Y127 HydrophobicContact CE2-CE2 4.26Å; Y105-Y127 AromaticContact CE2-CG 3.44Å; Y105-Y127 HydrophobicContact CE2-CG 3.44Å; Y105-Y127 VanDerWaalsContact CE2-CG 3.44Å; Y105-Y127 HydrophobicContact CG-CD1 4.19Å; Y105-Y127 HydrophobicContact CG-CG 4.49Å; Y105-Y127 AromaticContact CZ-CD1 3.63Å; Y105-Y127 AromaticContact CZ-CE1 3.61Å
106	L	98.6	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123	177.2	-177	61.9	0	0	0	110.5	I84 L97 L103 V108 L119 L125 Y127 L128 D129	I84-L106 HydrophobicContact CB-CD1 3.8Å; I84-L106 HydrophobicContact CG2-CD1 3.74Å; I84-L106 WeakPolarHBondContact O-CA 3.33Å; L97-L106 HydrophobicContact CD1-CD1 3.83Å; L97-L106 HydrophobicContact CD1-CD2 3.93Å; L103-L106 HydrophobicContact CD2-CB 4.17Å; L103-L106 HydrophobicContact CD2-CD1 4.49Å; L103-L106 HydrophobicContact CD2-CD2 4.13Å; L106-V108 HydrophobicContact CD1-CG1 3.76Å; L106-V108 HydrophobicContact CD2-CG1 4.34Å; L106-V108 HydrophobicContact CD2-CG2 4.5Å; L106-V108 HydrophobicContact CG-CG1 3.99Å; L106-V108 HydrophobicContact CG-CG2 4.4Å; L106-L119 HydrophobicContact CD2-CD1 3.51Å; L106-L119 HydrophobicContact CD2-CD2 4.11Å; L106-L119 HydrophobicContact CD2-CG 4.48Å; L106-L125 HydrophobicContact CB-CD1 3.96Å; L106-Y127 PolarHBondContact N-O 3.47Å; L106-L128 HydrophobicContact CB-CD1 4.01Å; L106-L128 HydrophobicContact CD2-CD1 3.87Å; L106-L128 HydrophobicContact CG-CD1 4.09Å; L106-L128 WeakPolarHBondContact O-CA 3.39Å; L106-D129 PolarHBondContact O-N 2.94Å
107	K	98.8	Very high	96.1	Very high	54 Å²	54	39.2 Å²	39.2	24%	0.235	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.5	166.3	-78.2	-173.4	155.4	174.2	0	109.8	I84 M85 L86 Y105 Y127 D129	I84-K107 PolarHBondContact O-N 3.46Å; M85-K107 HydrophobicContact CB-CB 4.31Å; M85-K107 HydrophobicContact CG-CB 4.09Å; M85-K107 HydrophobicContact CG-CD 4.2Å; M85-K107 HydrophobicContact CG-CG 4.48Å; L86-K107 PolarHBondContact N-O 3.13Å; Y105-K107 HydrophobicContact CE1-CB 4.43Å; Y105-K107 HydrophobicContact CE1-CD 3.8Å; Y105-K107 HydrophobicContact CE1-CG 3.63Å; Y105-K107 WeakPolarHBondContact OH-CD 3.31Å; Y105-K107 WeakPolarHBondContact OH-CE 3.39Å; Y105-K107 PolarHBondContact OH-NZ 3.46Å; K107-Y127 HydrophobicContact CD-CE1 4.37Å; K107-Y127 WeakPolarHBondContact CE-OH 3.32Å; K107-Y127 HydrophobicContact CG-CE1 3.83Å; K107-D129 HydrophobicContact CB-CB 4.44Å; K107-D129 HydrophobicContact CG-CB 3.86Å
108	V	98.7	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.			trans	-135.4	29.3	176.8	-71.8	0	0	0	0	109.5	L86 L94 L106 N111 I113 D129 L130 N133	L86-V108 HydrophobicContact CB-CG1 4.12Å; L86-V108 HydrophobicContact CD1-CG1 4.3Å; L94-V108 HydrophobicContact CD2-CG1 4Å; L106-V108 HydrophobicContact CD1-CG1 3.76Å; L106-V108 HydrophobicContact CD2-CG1 4.34Å; L106-V108 HydrophobicContact CD2-CG2 4.5Å; L106-V108 HydrophobicContact CG-CG1 3.99Å; L106-V108 HydrophobicContact CG-CG2 4.4Å; V108-N111 PolarHBondContact O-ND2 2.92Å; V108-I113 HydrophobicContact CB-CD1 3.73Å; V108-I113 HydrophobicContact CG2-CD1 3.75Å; V108-D129 CarbonylContact C-O 3.35Å; V108-D129 VanDerWaalsContact CG2-O 3.26Å; V108-D129 WeakPolarHBondContact CG2-O 3.32Å; V108-D129 PolarHBondContact N-O 3.36Å; V108-L130 HydrophobicContact CG2-CD2 3.48Å; V108-L130 VanDerWaalsContact CG2-CD2 3.48Å; V108-L130 HydrophobicContact CG2-CG 4.09Å; V108-N133 PolarHBondContact O-ND2 2.97Å
109	D	98.8	Very high	96	Very high	33 Å²	33	38.7 Å²	38.7	18%	0.176	21%	0.208	C	C	.	.			trans	-65.1	153.4	176.6	57.7	-70.5	0	0	0	112	S87 N88 N111 D129 S131	S87-D109 CarbonylContact C-O 3.59Å; S87-D109 WeakPolarHBondContact CA-O 3.5Å; S87-D109 VanDerWaalsContact CB-OD1 3.32Å; S87-D109 WeakPolarHBondContact CB-OD1 3.49Å; S87-D109 PolarHBondContact OG-OD1 3.32Å; N88-D109 PolarHBondContact N-O 2.8Å; D109-N111 PolarHBondContact O-ND2 3.45Å; D109-N111 VanDerWaalsContact O-ND2 3.13Å; D109-D129 PolarHBondContact N-O 3.44Å; D109-S131 CarbonylContact C-O 3.52Å; D109-S131 WeakPolarHBondContact CA-O 3.26Å; D109-S131 WeakPolarHBondContact CB-O 3.26Å
110	N	98.6	Very high	95.9	Very high	79 Å²	79	40.1 Å²	40.1	42%	0.422	21%	0.213	S	C	.	.	S	Bend	trans	54.2	61.7	-177	-166.3	33.2	0	0	0	112.4	N88 N89 S131 S132	N88-N110 VanDerWaalsContact CA-O 3.31Å; N88-N110 WeakPolarHBondContact CA-O 3.4Å; N88-N110 PolarHBondContact N-O 2.94Å; N88-N110 WeakPolarHBondContact OD1-CB 3.18Å; N88-N110 PolarHBondContact OD1-ND2 3.23Å; N89-N110 PolarHBondContact N-O 3.3Å; N89-N110 VanDerWaalsContact N-O 3.07Å; N110-S131 PolarHBondContact N-O 3.45Å; N110-S132 VanDerWaalsContact CA-O 3.24Å; N110-S132 WeakPolarHBondContact CA-O 3.47Å; N110-S132 PolarHBondContact N-O 2.9Å
111	N	98.5	Very high	95.6	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.053	23%	0.227	C	C	.	.	S	Bend	trans	-134.5	-163.3	177.3	-85.9	-79.9	0	0	0	109.8	L86 N89 F90 I91 V108 D109 I113 S132 N133	L86-N111 PolarHBondContact O-ND2 3.42Å; N89-N111 WeakPolarHBondContact CA-OD1 3.22Å; N89-N111 WeakPolarHBondContact CB-OD1 3.29Å; N89-N111 PolarHBondContact O-OD1 3.22Å; F90-N111 PolarHBondContact N-OD1 3.29Å; I91-N111 HydrophobicContact CB-CB 4.47Å; I91-N111 VanDerWaalsContact CB-OD1 3.26Å; I91-N111 WeakPolarHBondContact CB-OD1 3.26Å; I91-N111 WeakPolarHBondContact CG1-OD1 3.08Å; I91-N111 PolarHBondContact N-OD1 3.38Å; V108-N111 PolarHBondContact O-ND2 2.92Å; D109-N111 PolarHBondContact O-ND2 3.45Å; D109-N111 VanDerWaalsContact O-ND2 3.13Å; N111-I113 HydrophobicContact CB-CD1 3.96Å; N111-I113 HydrophobicContact CB-CG1 4.22Å; N111-S132 PolarHBondContact N-O 3.32Å; N111-N133 WeakPolarHBondContact CA-OD1 3.24Å; N111-N133 WeakPolarHBondContact CB-OD1 3.21Å; N111-N133 PolarHBondContact O-OD1 3.29Å
112	Q	98	Very high	95.7	Very high	54 Å²	54	39 Å²	39	25%	0.252	21%	0.205	S	C	.	.			trans	-121	30	-178.9	-56.8	-167.2	28.9	0	0	112.5	I91 T92 N133	I91-Q112 CarbonylContact O-C 3.19Å; I91-Q112 WeakPolarHBondContact O-CA 3.27Å; I91-Q112 PolarHBondContact O-N 2.87Å; T92-Q112 HydrophobicContact CG2-CB 3.74Å; Q112-N133 PolarHBondContact N-OD1 2.96Å
113	I	98.2	Very high	95.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.			trans	-73.2	127.1	-174.8	-60.7	153.8	0	0	0	109.7	I91 L94 V108 N111 S115 L130 N133 K134 L135	I91-I113 PolarHBondContact O-N 3.39Å; L94-I113 HydrophobicContact CD1-CD1 4Å; L94-I113 HydrophobicContact CD1-CG1 4.44Å; L94-I113 HydrophobicContact CD1-CG2 4.06Å; L94-I113 HydrophobicContact CD2-CD1 3.87Å; L94-I113 HydrophobicContact CD2-CG1 4.34Å; L94-I113 HydrophobicContact CG-CD1 4.1Å; L94-I113 HydrophobicContact CG-CG1 4.27Å; L94-I113 HydrophobicContact CG-CG2 4.4Å; V108-I113 HydrophobicContact CB-CD1 3.73Å; V108-I113 HydrophobicContact CG2-CD1 3.75Å; N111-I113 HydrophobicContact CB-CD1 3.96Å; N111-I113 HydrophobicContact CB-CG1 4.22Å; I113-S115 VanDerWaalsContact CG2-O 3.24Å; I113-S115 WeakPolarHBondContact CG2-O 3.11Å; I113-L130 HydrophobicContact CD1-CD2 4.17Å; I113-L130 HydrophobicContact CG2-CD2 4.42Å; I113-N133 HydrophobicContact CB-CB 4.3Å; I113-N133 VanDerWaalsContact CB-OD1 3.3Å; I113-N133 WeakPolarHBondContact CB-OD1 3.12Å; I113-N133 WeakPolarHBondContact CD1-OD1 3.39Å; I113-N133 WeakPolarHBondContact CG1-OD1 3.43Å; I113-N133 PolarHBondContact N-OD1 3.08Å; I113-K134 CarbonylContact O-C 3.45Å; I113-K134 WeakPolarHBondContact O-CA 3.27Å; I113-K134 PolarHBondContact O-N 3.25Å; I113-L135 HydrophobicContact CG2-CD2 4.2Å
114	T	97.4	Very high	95.7	Very high	91 Å²	91	50 Å²	50	56%	0.558	24%	0.243	S	C	*	.	S	Bend	trans	-100.8	-23.1	176.6	54.3	0	0	0	0	112.7	K134	T114-K134 HydrophobicContact CG2-CB 3.98Å
115	S	96.4	Very high	95.7	Very high	57 Å²	57	48 Å²	48	40%	0.399	23%	0.233	S	C	.	.			trans	-147.7	141.3	176.1	177.7	0	0	0	0	110.9	I113 E117	I113-S115 VanDerWaalsContact CG2-O 3.24Å; I113-S115 WeakPolarHBondContact CG2-O 3.11Å; S115-E117 PolarHBondContact OG-N 3.22Å
116	A	95.6	Very high	95.7	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	24%	0.241	C	C	.	.			trans	-110.7	16.7	173.9	0	0	0	0	0	112.6	L94 S118 L119 L130 L141	L94-A116 HydrophobicContact CD1-CB 4.2Å; A116-S118 PolarHBondContact O-N 2.98Å; A116-L119 HydrophobicContact CB-CD1 4.34Å; A116-L119 WeakPolarHBondContact O-CB 3.41Å; A116-L119 PolarHBondContact O-N 2.92Å; A116-L119 VanDerWaalsContact O-N 3.08Å; A116-L130 HydrophobicContact CB-CD1 3.86Å; A116-L130 HydrophobicContact CB-CD2 4.13Å; A116-L141 HydrophobicContact CB-CD2 3.87Å; A116-L141 WeakPolarHBondContact O-CD2 3.38Å
117	E	93.6	Very high	95.7	Very high	78 Å²	78	51 Å²	51	36%	0.364	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.5	-30.6	-177.5	-162.8	-158.5	139.9	0	0	113	S115 L119 K120 N140	S115-E117 PolarHBondContact OG-N 3.22Å; E117-L119 PolarHBondContact O-N 3.5Å; E117-K120 HydrophobicContact CG-CD 4.46Å; E117-K120 WeakPolarHBondContact O-CB 3.35Å; E117-K120 WeakPolarHBondContact O-CG 3.09Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K120 IonicContact OE1-NZ 3.9Å; E117-K120 PolarHBondContact OE1-NZ 2.76Å; E117-N140 HydrophobicContact CG-CB 4.32Å
118	S	93.5	Very high	95.7	Very high	32 Å²	32	48.5 Å²	48.5	22%	0.224	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.2	-18.3	177.2	56.2	0	0	0	0	113.7	L94 S95 T98 A116 K120	L94-S118 WeakPolarHBondContact CB-OG 3.36Å; S95-S118 PolarHBondContact N-OG 3.33Å; T98-S118 PolarHBondContact OG1-O 3.47Å; A116-S118 PolarHBondContact O-N 2.98Å; S118-K120 VanDerWaalsContact C-N 3.32Å
119	L	93.9	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-81.3	-2.4	175.6	-60.6	-176.9	0	0	0	113.9	L94 L97 L106 A116 E117 S121 S122 L128 F143	L94-L119 HydrophobicContact CB-CD2 4.2Å; L94-L119 HydrophobicContact CB-CG 4.39Å; L94-L119 HydrophobicContact CD1-CD1 3.88Å; L94-L119 HydrophobicContact CD1-CG 4.13Å; L97-L119 HydrophobicContact CB-CD2 3.91Å; L97-L119 HydrophobicContact CD1-CD2 4.26Å; L106-L119 HydrophobicContact CD2-CD1 3.51Å; L106-L119 HydrophobicContact CD2-CD2 4.11Å; L106-L119 HydrophobicContact CD2-CG 4.48Å; A116-L119 HydrophobicContact CB-CD1 4.34Å; A116-L119 WeakPolarHBondContact O-CB 3.41Å; A116-L119 PolarHBondContact O-N 2.92Å; A116-L119 VanDerWaalsContact O-N 3.08Å; E117-L119 PolarHBondContact O-N 3.5Å; L119-S121 PolarHBondContact O-N 2.65Å; L119-S122 WeakPolarHBondContact O-CB 3.34Å; L119-S122 PolarHBondContact O-N 3.29Å; L119-S122 PolarHBondContact O-OG 2.94Å; L119-L128 HydrophobicContact CD1-CD1 4.23Å; L119-F143 HydrophobicContact CB-CE1 4.04Å; L119-F143 HydrophobicContact CB-CZ 3.84Å; L119-F143 VanDerWaalsContact O-CE1 3.29Å; L119-F143 WeakPolarHBondContact O-CE1 3.04Å
120	K	86.8	Confident	95.7	Very high	127 Å²	127	47.5 Å²	47.5	55%	0.552	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-54.8	-20.1	-176.4	67.5	-173.6	169.9	-163.8	0	115.5	E117 S118	E117-K120 HydrophobicContact CG-CD 4.46Å; E117-K120 WeakPolarHBondContact O-CB 3.35Å; E117-K120 WeakPolarHBondContact O-CG 3.09Å; E117-K120 PolarHBondContact O-N 3.13Å; E117-K120 IonicContact OE1-NZ 3.9Å; E117-K120 PolarHBondContact OE1-NZ 2.76Å; S118-K120 VanDerWaalsContact C-N 3.32Å
121	S	86	Confident	95.7	Very high	44 Å²	44	44.2 Å²	44.2	31%	0.308	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-78.4	-17.5	175.1	60.7	0	0	0	0	114.1	T98 L119 R123	T98-S121 WeakPolarHBondContact CG2-OG 3.24Å; T98-S121 PolarHBondContact O-OG 2.66Å; L119-S121 PolarHBondContact O-N 2.65Å; S121-R123 PolarHBondContact O-N 3.01Å
122	S	92.9	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.			trans	-76.4	62.6	-175.5	-56.8	0	0	0	0	112.5	L119 Y124 L125	L119-S122 WeakPolarHBondContact O-CB 3.34Å; L119-S122 PolarHBondContact O-N 3.29Å; L119-S122 PolarHBondContact O-OG 2.94Å; S122-Y124 PolarHBondContact O-N 2.84Å; S122-Y124 VanDerWaalsContact O-N 3.11Å; S122-L125 VanDerWaalsContact O-CB 3.28Å; S122-L125 WeakPolarHBondContact O-CB 3.27Å; S122-L125 PolarHBondContact O-N 3.5Å; S122-L125 VanDerWaalsContact O-N 3.11Å
123	R	93.2	Very high	95.7	Very high	172 Å²	172	43.9 Å²	43.9	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-173.3	-65.7	-175.1	-179.3	-174.7	-0.4	114.2	S121 L125 P144 Y145	S121-R123 PolarHBondContact O-N 3.01Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-P144 HydrophobicContact CB-CG 4.24Å; R123-P144 WeakPolarHBondContact O-CG 3.16Å; R123-Y145 VanDerWaalsContact O-CD2 3.23Å; R123-Y145 WeakPolarHBondContact O-CD2 3.45Å
124	Y	96.5	Very high	95.7	Very high	116 Å²	116	49 Å²	49	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	7.8	-177.1	-62.9	-82.2	0	0	0	114.4	S101 L103 S122 Q126 Y145	S101-Y124 WeakPolarHBondContact O-CD2 3.48Å; L103-Y124 CarbonylContact O-C 3.54Å; S122-Y124 PolarHBondContact O-N 2.84Å; S122-Y124 VanDerWaalsContact O-N 3.11Å; Y124-Q126 PolarHBondContact O-N 3.04Å; Y124-Y145 HydrophobicContact CD1-CD2 4.2Å; Y124-Y145 HydrophobicContact CD1-CE2 4.25Å; Y124-Y145 HydrophobicContact CE1-CE2 4.33Å
125	L	97.4	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.			trans	-64.7	125.5	178.8	-163.6	68.2	0	0	0	109.7	L103 L106 S122 R123 L128 F143 Y145 L146	L103-L125 HydrophobicContact CD2-CD1 4.14Å; L103-L125 HydrophobicContact CG-CD1 3.92Å; L103-L125 WeakPolarHBondContact O-CA 3.47Å; L103-L125 PolarHBondContact O-N 2.87Å; L103-L125 VanDerWaalsContact O-N 3.15Å; L106-L125 HydrophobicContact CB-CD1 3.96Å; S122-L125 VanDerWaalsContact O-CB 3.28Å; S122-L125 WeakPolarHBondContact O-CB 3.27Å; S122-L125 PolarHBondContact O-N 3.5Å; S122-L125 VanDerWaalsContact O-N 3.11Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-L128 HydrophobicContact CD2-CB 3.9Å; L125-L128 HydrophobicContact CD2-CD1 4.2Å; L125-L128 HydrophobicContact CD2-CD2 3.89Å; L125-L128 HydrophobicContact CD2-CG 4.22Å; L125-L128 HydrophobicContact CG-CB 4.49Å; L125-F143 HydrophobicContact CB-CD1 4.22Å; L125-F143 HydrophobicContact CD2-CD1 4.04Å; L125-F143 HydrophobicContact CD2-CE1 3.85Å; L125-F143 HydrophobicContact CD2-CG 4.46Å; L125-F143 HydrophobicContact CD2-CZ 4.13Å; L125-Y145 CarbonylContact O-C 3.57Å; L125-L146 HydrophobicContact CB-CD1 4.33Å; L125-L146 HydrophobicContact CD2-CD1 4.15Å; L125-L146 HydrophobicContact CG-CD1 3.9Å; L125-L146 WeakPolarHBondContact O-CA 3.47Å; L125-L146 PolarHBondContact O-N 3.41Å; L125-L146 VanDerWaalsContact O-N 3.1Å
126	Q	98.2	Very high	95.8	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	22%	0.223	S	C	.	.			trans	-111.1	-27.4	-178.1	-69.1	170	17	0	0	112.1	Q104 Y124 Q147 Y148	Q104-Q126 PolarHBondContact O-N 2.92Å; Y124-Q126 PolarHBondContact O-N 3.04Å; Q126-Q147 PolarHBondContact O-N 2.9Å; Q126-Y148 PolarHBondContact O-N 3.31Å
127	Y	98.7	Very high	95.9	Very high	39 Å²	39	48.6 Å²	48.6	15%	0.153	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.3	179	-176	-79.6	0	0	0	110.2	Q104 Y105 L106 K107 D129 Y148 K150	Q104-Y127 PolarHBondContact O-N 3.21Å; Y105-Y127 HydrophobicContact CD1-CD1 4.47Å; Y105-Y127 AromaticContact CD2-CD1 3.61Å; Y105-Y127 HydrophobicContact CD2-CD1 3.61Å; Y105-Y127 HydrophobicContact CD2-CD2 4.41Å; Y105-Y127 HydrophobicContact CD2-CE1 4.4Å; Y105-Y127 AromaticContact CD2-CG 3.6Å; Y105-Y127 HydrophobicContact CD2-CG 3.6Å; Y105-Y127 HydrophobicContact CE1-CD1 4.23Å; Y105-Y127 HydrophobicContact CE1-CE1 4.34Å; Y105-Y127 AromaticContact CE2-CD1 3.28Å; Y105-Y127 HydrophobicContact CE2-CD1 3.28Å; Y105-Y127 AromaticContact CE2-CD2 3.95Å; Y105-Y127 HydrophobicContact CE2-CD2 3.95Å; Y105-Y127 AromaticContact CE2-CE1 3.65Å; Y105-Y127 HydrophobicContact CE2-CE1 3.65Å; Y105-Y127 HydrophobicContact CE2-CE2 4.26Å; Y105-Y127 AromaticContact CE2-CG 3.44Å; Y105-Y127 HydrophobicContact CE2-CG 3.44Å; Y105-Y127 VanDerWaalsContact CE2-CG 3.44Å; Y105-Y127 HydrophobicContact CG-CD1 4.19Å; Y105-Y127 HydrophobicContact CG-CG 4.49Å; Y105-Y127 AromaticContact CZ-CD1 3.63Å; Y105-Y127 AromaticContact CZ-CE1 3.61Å; L106-Y127 PolarHBondContact N-O 3.47Å; K107-Y127 HydrophobicContact CD-CE1 4.37Å; K107-Y127 WeakPolarHBondContact CE-OH 3.32Å; K107-Y127 HydrophobicContact CG-CE1 3.83Å; Y127-D129 HydrophobicContact CE1-CB 3.93Å; Y127-Y148 HydrophobicContact CD2-CD2 4.3Å; Y127-Y148 HydrophobicContact CD2-CG 4.05Å; Y127-K150 VanDerWaalsContact OH-CE 3.32Å; Y127-K150 WeakPolarHBondContact OH-CE 3.23Å
128	L	98.5	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.4	177.6	180	54	0	0	0	110.2	L106 L119 L125 L130 F143 L146 Y148 L149 K150	L106-L128 HydrophobicContact CB-CD1 4.01Å; L106-L128 HydrophobicContact CD2-CD1 3.87Å; L106-L128 HydrophobicContact CG-CD1 4.09Å; L106-L128 WeakPolarHBondContact O-CA 3.39Å; L119-L128 HydrophobicContact CD1-CD1 4.23Å; L125-L128 HydrophobicContact CD2-CB 3.9Å; L125-L128 HydrophobicContact CD2-CD1 4.2Å; L125-L128 HydrophobicContact CD2-CD2 3.89Å; L125-L128 HydrophobicContact CD2-CG 4.22Å; L125-L128 HydrophobicContact CG-CB 4.49Å; L128-L130 HydrophobicContact CD1-CD1 4.05Å; L128-L130 HydrophobicContact CD1-CG 3.94Å; L128-L130 HydrophobicContact CD2-CD1 3.63Å; L128-L130 HydrophobicContact CD2-CG 4.42Å; L128-L130 HydrophobicContact CG-CD1 3.75Å; L128-L130 HydrophobicContact CG-CG 4.03Å; L128-F143 HydrophobicContact CD2-CD2 4.39Å; L128-F143 HydrophobicContact CD2-CE2 3.66Å; L128-F143 HydrophobicContact CD2-CZ 4.03Å; L128-L146 HydrophobicContact CB-CD1 3.79Å; L128-L146 HydrophobicContact CB-CD2 4.36Å; L128-Y148 PolarHBondContact N-O 3.3Å; L128-L149 HydrophobicContact CB-CD1 4.08Å; L128-L149 HydrophobicContact CD2-CD1 3.95Å; L128-L149 HydrophobicContact CG-CD1 4Å; L128-K150 PolarHBondContact O-N 2.91Å
129	D	98.8	Very high	96	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.064	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.9	171.3	-158.3	-18.5	0	0	0	110.8	L106 K107 V108 D109 Y127 S131 K150	L106-D129 PolarHBondContact O-N 2.94Å; K107-D129 HydrophobicContact CB-CB 4.44Å; K107-D129 HydrophobicContact CG-CB 3.86Å; V108-D129 CarbonylContact C-O 3.35Å; V108-D129 VanDerWaalsContact CG2-O 3.26Å; V108-D129 WeakPolarHBondContact CG2-O 3.32Å; V108-D129 PolarHBondContact N-O 3.36Å; D109-D129 PolarHBondContact N-O 3.44Å; Y127-D129 HydrophobicContact CE1-CB 3.93Å; D129-S131 WeakPolarHBondContact OD1-CB 3.38Å; D129-S131 PolarHBondContact OD1-N 3.15Å; D129-S131 PolarHBondContact OD1-OG 2.95Å; D129-K150 HydrophobicContact CB-CB 4.31Å; D129-K150 HydrophobicContact CB-CD 4.22Å; D129-K150 WeakPolarHBondContact OD1-CB 3.39Å; D129-K150 WeakPolarHBondContact OD2-CD 3.41Å
130	L	98.7	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.			trans	-119.4	18	178	-77.3	160.1	0	0	0	110.4	L94 V108 I113 A116 L128 N133 L135 L141 K150 V151 N154	L94-L130 HydrophobicContact CD1-CD2 4.34Å; V108-L130 HydrophobicContact CG2-CD2 3.48Å; V108-L130 VanDerWaalsContact CG2-CD2 3.48Å; V108-L130 HydrophobicContact CG2-CG 4.09Å; I113-L130 HydrophobicContact CD1-CD2 4.17Å; I113-L130 HydrophobicContact CG2-CD2 4.42Å; A116-L130 HydrophobicContact CB-CD1 3.86Å; A116-L130 HydrophobicContact CB-CD2 4.13Å; L128-L130 HydrophobicContact CD1-CD1 4.05Å; L128-L130 HydrophobicContact CD1-CG 3.94Å; L128-L130 HydrophobicContact CD2-CD1 3.63Å; L128-L130 HydrophobicContact CD2-CG 4.42Å; L128-L130 HydrophobicContact CG-CD1 3.75Å; L128-L130 HydrophobicContact CG-CG 4.03Å; L130-N133 WeakPolarHBondContact O-CB 3.17Å; L130-N133 PolarHBondContact O-ND2 2.72Å; L130-L135 HydrophobicContact CB-CD1 3.82Å; L130-L135 HydrophobicContact CD1-CD1 3.97Å; L130-L135 HydrophobicContact CD2-CD1 4.36Å; L130-L135 HydrophobicContact CG-CD1 4.28Å; L130-L141 HydrophobicContact CD1-CD1 4.45Å; L130-K150 PolarHBondContact N-O 3.43Å; L130-V151 HydrophobicContact CB-CG1 3.96Å; L130-V151 HydrophobicContact CD1-CG1 4.4Å; L130-N154 PolarHBondContact O-ND2 2.87Å
131	S	98.8	Very high	96.2	Very high	10 Å²	10	43.2 Å²	43.2	7%	0.07	21%	0.213	C	C	.	.			trans	-59.9	152.8	-178.6	-53.7	0	0	0	0	112	D109 N110 D129 N133 N152	D109-S131 CarbonylContact C-O 3.52Å; D109-S131 WeakPolarHBondContact CA-O 3.26Å; D109-S131 WeakPolarHBondContact CB-O 3.26Å; N110-S131 PolarHBondContact N-O 3.45Å; D129-S131 WeakPolarHBondContact OD1-CB 3.38Å; D129-S131 PolarHBondContact OD1-N 3.15Å; D129-S131 PolarHBondContact OD1-OG 2.95Å; S131-N133 PolarHBondContact O-N 3.02Å; S131-N133 PolarHBondContact O-ND2 2.94Å; S131-N133 VanDerWaalsContact O-ND2 3.14Å; S131-N152 CarbonylContact C-O 3.12Å; S131-N152 WeakPolarHBondContact CA-O 3.39Å; S131-N152 PolarHBondContact OG-N 3.29Å
132	S	98.7	Very high	96.6	Very high	45 Å²	45	43.7 Å²	43.7	32%	0.315	22%	0.216	S	C	.	.	S	Bend	trans	54.2	51.9	178.4	-52.7	0	0	0	0	112.8	N110 N111 N152 D153	N110-S132 VanDerWaalsContact CA-O 3.24Å; N110-S132 WeakPolarHBondContact CA-O 3.47Å; N110-S132 PolarHBondContact N-O 2.9Å; N111-S132 PolarHBondContact N-O 3.32Å; S132-N152 PolarHBondContact N-O 3.36Å; S132-D153 WeakPolarHBondContact CA-O 3.21Å
133	N	98.7	Very high	96.7	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-124.2	-160.9	174.5	-84.9	-76.4	0	0	0	109.5	V108 N111 Q112 I113 L130 S131 L135 N154	V108-N133 PolarHBondContact O-ND2 2.97Å; N111-N133 WeakPolarHBondContact CA-OD1 3.24Å; N111-N133 WeakPolarHBondContact CB-OD1 3.21Å; N111-N133 PolarHBondContact O-OD1 3.29Å; Q112-N133 PolarHBondContact N-OD1 2.96Å; I113-N133 HydrophobicContact CB-CB 4.3Å; I113-N133 VanDerWaalsContact CB-OD1 3.3Å; I113-N133 WeakPolarHBondContact CB-OD1 3.12Å; I113-N133 WeakPolarHBondContact CD1-OD1 3.39Å; I113-N133 WeakPolarHBondContact CG1-OD1 3.43Å; I113-N133 PolarHBondContact N-OD1 3.08Å; L130-N133 WeakPolarHBondContact O-CB 3.17Å; L130-N133 PolarHBondContact O-ND2 2.72Å; S131-N133 PolarHBondContact O-N 3.02Å; S131-N133 PolarHBondContact O-ND2 2.94Å; S131-N133 VanDerWaalsContact O-ND2 3.14Å; N133-L135 HydrophobicContact CB-CG 4.48Å; N133-N154 WeakPolarHBondContact CA-OD1 3.38Å; N133-N154 VanDerWaalsContact CB-OD1 3.32Å; N133-N154 WeakPolarHBondContact CB-OD1 3.25Å; N133-N154 PolarHBondContact O-OD1 3.16Å
134	K	98.3	Very high	96.8	Very high	108 Å²	108	37.6 Å²	37.6	47%	0.47	20%	0.199	S	C	.	.			trans	-118.9	29.1	-177.8	-59.7	179.2	-177.2	173.7	0	111.9	I113 T114 N154	I113-K134 CarbonylContact O-C 3.45Å; I113-K134 WeakPolarHBondContact O-CA 3.27Å; I113-K134 PolarHBondContact O-N 3.25Å; T114-K134 HydrophobicContact CG2-CB 3.98Å; K134-N154 PolarHBondContact N-OD1 3.22Å
135	L	98.1	Very high	96.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.199	C	C	.	.			trans	-68.1	134	179.1	-58.7	175.7	0	0	0	110.3	I113 L130 N133 V151 N154 A155 I156	I113-L135 HydrophobicContact CG2-CD2 4.2Å; L130-L135 HydrophobicContact CB-CD1 3.82Å; L130-L135 HydrophobicContact CD1-CD1 3.97Å; L130-L135 HydrophobicContact CD2-CD1 4.36Å; L130-L135 HydrophobicContact CG-CD1 4.28Å; N133-L135 HydrophobicContact CB-CG 4.48Å; L135-V151 HydrophobicContact CD1-CG1 4.03Å; L135-N154 HydrophobicContact CB-CB 4.23Å; L135-N154 VanDerWaalsContact CB-OD1 3.25Å; L135-N154 WeakPolarHBondContact CB-OD1 3.36Å; L135-N154 WeakPolarHBondContact CG-OD1 3.43Å; L135-N154 PolarHBondContact N-OD1 3.1Å; L135-A155 CarbonylContact O-C 3.22Å; L135-A155 WeakPolarHBondContact O-CA 3.43Å; L135-A155 PolarHBondContact O-N 2.98Å; L135-I156 PolarHBondContact O-N 3.05Å
136	T	97.2	Very high	96.8	Very high	92 Å²	92	37.6 Å²	37.6	56%	0.564	20%	0.199	S	C	*	.	S	Bend	trans	-102.2	-15.9	171.3	54.3	0	0	0	0	112.3	A155	T136-A155 HydrophobicContact CG2-CB 4.35Å
137	T	96.5	Very high	96.8	Very high	48 Å²	48	36.9 Å²	36.9	29%	0.294	20%	0.195	S	C	.	.			trans	-153.8	157.7	-179.6	-174.4	0	0	0	0	111.9	N139	T137-N139 PolarHBondContact OG1-N 3.16Å; T137-N139 VanDerWaalsContact OG1-N 3.09Å; T137-N139 PolarHBondContact OG1-ND2 3.33Å
138	I	96	Very high	96.8	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.207	C	C	.	.			trans	-121	4.1	168.4	58.6	169.2	0	0	0	112.6	N140 L141 L149 V151 I156 L159 L167 L178	I138-N140 PolarHBondContact O-N 3.28Å; I138-N140 VanDerWaalsContact O-N 3.16Å; I138-L141 HydrophobicContact CB-CD1 4.08Å; I138-L141 HydrophobicContact CG2-CD1 4.16Å; I138-L141 WeakPolarHBondContact O-CB 3.36Å; I138-L141 PolarHBondContact O-N 3.03Å; I138-L141 VanDerWaalsContact O-N 3.12Å; I138-L149 HydrophobicContact CD1-CD2 4.13Å; I138-V151 HydrophobicContact CG2-CG1 3.87Å; I138-V151 HydrophobicContact CG2-CG2 4.41Å; I138-I156 HydrophobicContact CG2-CD1 3.85Å; I138-L159 HydrophobicContact CD1-CD2 4.32Å; I138-L167 HydrophobicContact CD1-CD1 3.81Å; I138-L167 HydrophobicContact CG1-CD1 4.23Å; I138-L167 HydrophobicContact CG1-CD2 4.3Å; I138-L178 HydrophobicContact CD1-CD1 4.47Å
139	N	93.8	Very high	96.8	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.102	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.5	-173.5	-63.3	-50.5	0	0	0	113.4	T137 L141 L159 K160 S161 L167 Q171	T137-N139 PolarHBondContact OG1-N 3.16Å; T137-N139 VanDerWaalsContact OG1-N 3.09Å; T137-N139 PolarHBondContact OG1-ND2 3.33Å; N139-L141 VanDerWaalsContact C-N 3.29Å; N139-L159 PolarHBondContact OD1-O 3.11Å; N139-L159 VanDerWaalsContact OD1-O 3.11Å; N139-K160 PolarHBondContact ND2-O 2.96Å; N139-S161 WeakPolarHBondContact ND2-CA 3.45Å; N139-S161 PolarHBondContact ND2-N 3.47Å; N139-L167 HydrophobicContact CB-CD2 4.43Å; N139-L167 WeakPolarHBondContact OD1-CD2 3.25Å; N139-Q171 PolarHBondContact O-NE2 3.47Å
140	N	90.9	Very high	96.8	Very high	97 Å²	97	41.2 Å²	41.2	52%	0.519	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.6	-179.7	-59.9	-10.6	0	0	0	112.8	E117 I138	E117-N140 HydrophobicContact CG-CB 4.32Å; I138-N140 PolarHBondContact O-N 3.28Å; I138-N140 VanDerWaalsContact O-N 3.16Å
141	L	93.9	Very high	96.8	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	21%	0.213	C	C	.	.			trans	-94.4	141.1	-179.1	-57.6	-177.6	0	0	0	110.6	A116 L130 I138 N139 F143 Q171 F172	A116-L141 HydrophobicContact CB-CD2 3.87Å; A116-L141 WeakPolarHBondContact O-CD2 3.38Å; L130-L141 HydrophobicContact CD1-CD1 4.45Å; I138-L141 HydrophobicContact CB-CD1 4.08Å; I138-L141 HydrophobicContact CG2-CD1 4.16Å; I138-L141 WeakPolarHBondContact O-CB 3.36Å; I138-L141 PolarHBondContact O-N 3.03Å; I138-L141 VanDerWaalsContact O-N 3.12Å; N139-L141 VanDerWaalsContact C-N 3.29Å; L141-F143 HydrophobicContact CB-CD2 4.21Å; L141-F143 HydrophobicContact CB-CE2 3.73Å; L141-F143 HydrophobicContact CD1-CE2 4.15Å; L141-F143 HydrophobicContact CD2-CE2 4.12Å; L141-F143 HydrophobicContact CD2-CZ 4.3Å; L141-F143 HydrophobicContact CG-CE2 4.2Å; L141-Q171 PolarHBondContact O-NE2 3.19Å; L141-F172 HydrophobicContact CB-CE1 4.46Å; L141-F172 HydrophobicContact CB-CZ 3.86Å
142	S	94.4	Very high	96.8	Very high	55 Å²	55	41.5 Å²	41.5	39%	0.385	21%	0.213	S	C	.	.			trans	-146.7	112.4	176.7	-179.9	0	0	0	0	109
143	F	95.4	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.			trans	-136.7	98.1	-175.3	-59.9	-68.8	0	0	0	110.5	L119 L125 L128 L141 Y145 L146 Q171 F172	L119-F143 HydrophobicContact CB-CE1 4.04Å; L119-F143 HydrophobicContact CB-CZ 3.84Å; L119-F143 VanDerWaalsContact O-CE1 3.29Å; L119-F143 WeakPolarHBondContact O-CE1 3.04Å; L125-F143 HydrophobicContact CB-CD1 4.22Å; L125-F143 HydrophobicContact CD2-CD1 4.04Å; L125-F143 HydrophobicContact CD2-CE1 3.85Å; L125-F143 HydrophobicContact CD2-CG 4.46Å; L125-F143 HydrophobicContact CD2-CZ 4.13Å; L128-F143 HydrophobicContact CD2-CD2 4.39Å; L128-F143 HydrophobicContact CD2-CE2 3.66Å; L128-F143 HydrophobicContact CD2-CZ 4.03Å; L141-F143 HydrophobicContact CB-CD2 4.21Å; L141-F143 HydrophobicContact CB-CE2 3.73Å; L141-F143 HydrophobicContact CD1-CE2 4.15Å; L141-F143 HydrophobicContact CD2-CE2 4.12Å; L141-F143 HydrophobicContact CD2-CZ 4.3Å; L141-F143 HydrophobicContact CG-CE2 4.2Å; F143-Y145 PolarHBondContact O-N 3.49Å; F143-Y145 VanDerWaalsContact O-N 3.08Å; F143-L146 HydrophobicContact CB-CB 3.5Å; F143-L146 VanDerWaalsContact CB-CB 3.5Å; F143-L146 HydrophobicContact CB-CD2 4.15Å; F143-L146 HydrophobicContact CB-CG 4.3Å; F143-L146 HydrophobicContact CD2-CD2 3.86Å; F143-L146 HydrophobicContact CG-CB 4.44Å; F143-L146 HydrophobicContact CG-CD2 4.34Å; F143-L146 PolarHBondContact O-N 3.25Å; F143-L146 VanDerWaalsContact O-N 3.16Å; F143-Q171 CarbonylContact C-O 3.58Å; F143-Q171 PolarHBondContact N-O 3.25Å; F143-F172 AromaticContact CD2-CE1 3.95Å; F143-F172 HydrophobicContact CD2-CE1 3.95Å
144	P	95.1	Very high	96.8	Very high	43 Å²	43	41.9 Å²	41.9	28%	0.279	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.9	-168.3	26.2	-35	0	0	0	114.8	R123 P173	R123-P144 HydrophobicContact CB-CG 4.24Å; R123-P144 WeakPolarHBondContact O-CG 3.16Å; P144-P173 HydrophobicContact CB-CG 4.42Å; P144-P173 VanDerWaalsContact O-CG 3.27Å; P144-P173 WeakPolarHBondContact O-CG 3.43Å
145	Y	96.6	Very high	96.8	Very high	116 Å²	116	37.9 Å²	37.9	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	10.2	178.2	-62.6	-61	0	0	0	113.1	R123 Y124 L125 F143 Q147	R123-Y145 VanDerWaalsContact O-CD2 3.23Å; R123-Y145 WeakPolarHBondContact O-CD2 3.45Å; Y124-Y145 HydrophobicContact CD1-CD2 4.2Å; Y124-Y145 HydrophobicContact CD1-CE2 4.25Å; Y124-Y145 HydrophobicContact CE1-CE2 4.33Å; L125-Y145 CarbonylContact O-C 3.57Å; F143-Y145 PolarHBondContact O-N 3.49Å; F143-Y145 VanDerWaalsContact O-N 3.08Å; Y145-Q147 PolarHBondContact O-N 2.99Å
146	L	97.6	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.			trans	-72.6	124.2	-177.2	-167.3	75.9	0	0	0	110.1	L125 L128 F143 L149 F172 D174 L175	L125-L146 HydrophobicContact CB-CD1 4.33Å; L125-L146 HydrophobicContact CD2-CD1 4.15Å; L125-L146 HydrophobicContact CG-CD1 3.9Å; L125-L146 WeakPolarHBondContact O-CA 3.47Å; L125-L146 PolarHBondContact O-N 3.41Å; L125-L146 VanDerWaalsContact O-N 3.1Å; L128-L146 HydrophobicContact CB-CD1 3.79Å; L128-L146 HydrophobicContact CB-CD2 4.36Å; F143-L146 HydrophobicContact CB-CB 3.5Å; F143-L146 VanDerWaalsContact CB-CB 3.5Å; F143-L146 HydrophobicContact CB-CD2 4.15Å; F143-L146 HydrophobicContact CB-CG 4.3Å; F143-L146 HydrophobicContact CD2-CD2 3.86Å; F143-L146 HydrophobicContact CG-CB 4.44Å; F143-L146 HydrophobicContact CG-CD2 4.34Å; F143-L146 PolarHBondContact O-N 3.25Å; F143-L146 VanDerWaalsContact O-N 3.16Å; L146-L149 HydrophobicContact CD2-CB 3.87Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L146-L149 HydrophobicContact CD2-CD2 4.47Å; L146-L149 HydrophobicContact CD2-CG 4.4Å; L146-F172 HydrophobicContact CD2-CD1 4.21Å; L146-F172 HydrophobicContact CD2-CE1 4.04Å; L146-D174 CarbonylContact O-C 3.58Å; L146-L175 HydrophobicContact CB-CD1 4.4Å; L146-L175 HydrophobicContact CD2-CD1 4.01Å; L146-L175 HydrophobicContact CG-CD1 3.99Å; L146-L175 WeakPolarHBondContact O-CA 3.42Å; L146-L175 PolarHBondContact O-N 2.91Å; L146-L175 VanDerWaalsContact O-N 3.13Å
147	Q	98.2	Very high	96.8	Very high	67 Å²	67	36 Å²	36	31%	0.313	19%	0.193	S	C	.	.			trans	-104.8	-29.6	-178.8	-64.6	177.9	-3.5	0	0	112.5	Q126 Y145 D174 H176 T177	Q126-Q147 PolarHBondContact O-N 2.9Å; Y145-Q147 PolarHBondContact O-N 2.99Å; Q147-D174 WeakPolarHBondContact CA-O 3.4Å; Q147-D174 HydrophobicContact CG-CB 4.49Å; Q147-H176 PolarHBondContact O-N 3.09Å; Q147-T177 PolarHBondContact O-N 3.32Å
148	Y	98.6	Very high	96.8	Very high	99 Å²	99	36.3 Å²	36.3	39%	0.388	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	118.2	-177.3	-60.6	-92	0	0	0	110.3	Q126 Y127 L128 T177	Q126-Y148 PolarHBondContact O-N 3.31Å; Y127-Y148 HydrophobicContact CD2-CD2 4.3Å; Y127-Y148 HydrophobicContact CD2-CG 4.05Å; L128-Y148 PolarHBondContact N-O 3.3Å; Y148-T177 HydrophobicContact CD1-CG2 4.22Å; Y148-T177 WeakPolarHBondContact CE1-OG1 3.44Å
149	L	98.4	Very high	96.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.6	173.2	179.7	56.4	0	0	0	109.4	L128 I138 L146 V151 F172 L175 T177 L178 E179	L128-L149 HydrophobicContact CB-CD1 4.08Å; L128-L149 HydrophobicContact CD2-CD1 3.95Å; L128-L149 HydrophobicContact CG-CD1 4Å; I138-L149 HydrophobicContact CD1-CD2 4.13Å; L146-L149 HydrophobicContact CD2-CB 3.87Å; L146-L149 HydrophobicContact CD2-CD1 4.2Å; L146-L149 HydrophobicContact CD2-CD2 4.47Å; L146-L149 HydrophobicContact CD2-CG 4.4Å; L149-V151 HydrophobicContact CD1-CG1 4.03Å; L149-V151 HydrophobicContact CG-CG1 4.29Å; L149-F172 HydrophobicContact CD2-CE1 4.2Å; L149-F172 HydrophobicContact CD2-CZ 4.3Å; L149-L175 HydrophobicContact CB-CD1 3.79Å; L149-L175 HydrophobicContact CB-CD2 4.33Å; L149-T177 PolarHBondContact N-O 3.43Å; L149-L178 HydrophobicContact CB-CD1 4.09Å; L149-L178 HydrophobicContact CD2-CD1 3.94Å; L149-L178 HydrophobicContact CG-CD1 4.02Å; L149-L178 WeakPolarHBondContact O-CA 3.23Å; L149-E179 PolarHBondContact O-N 3.44Å
150	K	98.8	Very high	96.9	Very high	43 Å²	43	37.4 Å²	37.4	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.1	173.8	-59.2	173.7	164.3	-98.1	0	109.7	Y127 L128 D129 L130 E179	Y127-K150 VanDerWaalsContact OH-CE 3.32Å; Y127-K150 WeakPolarHBondContact OH-CE 3.23Å; L128-K150 PolarHBondContact O-N 2.91Å; D129-K150 HydrophobicContact CB-CB 4.31Å; D129-K150 HydrophobicContact CB-CD 4.22Å; D129-K150 WeakPolarHBondContact OD1-CB 3.39Å; D129-K150 WeakPolarHBondContact OD2-CD 3.41Å; L130-K150 PolarHBondContact N-O 3.43Å; K150-E179 HydrophobicContact CB-CB 4.38Å; K150-E179 VanDerWaalsContact CE-OE1 3.22Å; K150-E179 WeakPolarHBondContact CE-OE1 3.39Å; K150-E179 HydrophobicContact CG-CB 4.21Å; K150-E179 HydrophobicContact CG-CG 3.99Å; K150-E179 IonicContact NZ-OE1 3.19Å; K150-E179 PolarHBondContact NZ-OE1 3.3Å; K150-E179 IonicContact NZ-OE2 3.04Å; K150-E179 PolarHBondContact NZ-OE2 3.13Å
151	V	98.8	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.			trans	-136	36.7	176.9	-71.7	0	0	0	0	109.8	L130 L135 I138 L149 N154 I156 L178 E179 L180 N183	L130-V151 HydrophobicContact CB-CG1 3.96Å; L130-V151 HydrophobicContact CD1-CG1 4.4Å; L135-V151 HydrophobicContact CD1-CG1 4.03Å; I138-V151 HydrophobicContact CG2-CG1 3.87Å; I138-V151 HydrophobicContact CG2-CG2 4.41Å; L149-V151 HydrophobicContact CD1-CG1 4.03Å; L149-V151 HydrophobicContact CG-CG1 4.29Å; V151-N154 PolarHBondContact O-ND2 3.34Å; V151-I156 HydrophobicContact CB-CD1 3.97Å; V151-I156 HydrophobicContact CG2-CD1 3.81Å; V151-L178 HydrophobicContact CG2-CD1 4.48Å; V151-E179 CarbonylContact C-O 3.21Å; V151-E179 VanDerWaalsContact CG2-O 3.23Å; V151-E179 WeakPolarHBondContact CG2-O 3.32Å; V151-E179 PolarHBondContact N-O 3.42Å; V151-L180 HydrophobicContact CG2-CD2 3.56Å; V151-L180 HydrophobicContact CG2-CG 4.28Å; V151-N183 PolarHBondContact O-ND2 2.87Å
152	N	98.8	Very high	96.8	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.08	22%	0.222	C	C	.	.			trans	-61.4	155.9	177.4	-57.6	-48.9	0	0	0	110.4	S131 S132 N154 E179 L180 R181	S131-N152 CarbonylContact C-O 3.12Å; S131-N152 WeakPolarHBondContact CA-O 3.39Å; S131-N152 PolarHBondContact OG-N 3.29Å; S132-N152 PolarHBondContact N-O 3.36Å; N152-N154 VanDerWaalsContact C-N 3.31Å; N152-N154 PolarHBondContact O-N 2.82Å; N152-N154 PolarHBondContact O-ND2 2.96Å; N152-E179 PolarHBondContact ND2-OE2 2.86Å; N152-E179 VanDerWaalsContact OD1-C 3.26Å; N152-E179 VanDerWaalsContact OD1-CB 3.23Å; N152-E179 WeakPolarHBondContact OD1-CB 3.21Å; N152-L180 PolarHBondContact OD1-N 2.89Å; N152-R181 CarbonylContact C-O 3.45Å; N152-R181 WeakPolarHBondContact CA-O 3.37Å; N152-R181 HydrophobicContact CB-CB 4.14Å; N152-R181 VanDerWaalsContact OD1-CB 3.23Å; N152-R181 WeakPolarHBondContact OD1-CB 3.38Å; N152-R181 PolarHBondContact OD1-N 3.18Å
153	D	98.8	Very high	96.7	Very high	53 Å²	53	45 Å²	45	28%	0.283	24%	0.238	S	C	.	.	S	Bend	trans	53	47	171.1	-50.2	-64.3	0	0	0	112.8	S132 R181 G182	S132-D153 WeakPolarHBondContact CA-O 3.21Å; D153-R181 PolarHBondContact N-O 3.1Å; D153-R181 IonicContact OD1-CZ 2.75Å; D153-R181 IonicContact OD1-NH2 3Å; D153-R181 PolarHBondContact OD1-NH2 3.06Å; D153-R181 IonicContact OD2-CZ 3.08Å; D153-R181 IonicContact OD2-NE 3.97Å; D153-R181 IonicContact OD2-NH2 3.29Å; D153-R181 PolarHBondContact OD2-NH2 3.29Å; D153-G182 WeakPolarHBondContact CA-O 3.18Å
154	N	98.7	Very high	96.4	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.07	27%	0.266	C	S	.	.	S	Bend	trans	-115.7	-167.7	174.3	-84.8	-86.1	0	0	0	109.6	L130 N133 K134 L135 V151 N152 I156 N183	L130-N154 PolarHBondContact O-ND2 2.87Å; N133-N154 WeakPolarHBondContact CA-OD1 3.38Å; N133-N154 VanDerWaalsContact CB-OD1 3.32Å; N133-N154 WeakPolarHBondContact CB-OD1 3.25Å; N133-N154 PolarHBondContact O-OD1 3.16Å; K134-N154 PolarHBondContact N-OD1 3.22Å; L135-N154 HydrophobicContact CB-CB 4.23Å; L135-N154 VanDerWaalsContact CB-OD1 3.25Å; L135-N154 WeakPolarHBondContact CB-OD1 3.36Å; L135-N154 WeakPolarHBondContact CG-OD1 3.43Å; L135-N154 PolarHBondContact N-OD1 3.1Å; V151-N154 PolarHBondContact O-ND2 3.34Å; N152-N154 VanDerWaalsContact C-N 3.31Å; N152-N154 PolarHBondContact O-N 2.82Å; N152-N154 PolarHBondContact O-ND2 2.96Å; N154-I156 HydrophobicContact CB-CD1 4.43Å; N154-I156 HydrophobicContact CB-CG1 4.27Å; N154-N183 WeakPolarHBondContact CA-OD1 3.32Å; N154-N183 VanDerWaalsContact CB-OD1 3.27Å; N154-N183 WeakPolarHBondContact CB-OD1 3.43Å; N154-N183 PolarHBondContact O-OD1 2.83Å
155	A	98.1	Very high	96.3	Very high	24 Å²	24	51.9 Å²	51.9	20%	0.198	28%	0.275	C	S	.	.			trans	-111.5	28.3	180	0	0	0	0	0	112.7	L135 T136 A157	L135-A155 CarbonylContact O-C 3.22Å; L135-A155 WeakPolarHBondContact O-CA 3.43Å; L135-A155 PolarHBondContact O-N 2.98Å; T136-A155 HydrophobicContact CG2-CB 4.35Å; A155-A157 PolarHBondContact O-N 3.09Å
156	I	98.2	Very high	96.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.			trans	-71.5	118.9	-176.9	-56	168.6	0	0	0	109.5	L135 I138 V151 N154 S158 L159 L180 N183 R184 L185	L135-I156 PolarHBondContact O-N 3.05Å; I138-I156 HydrophobicContact CG2-CD1 3.85Å; V151-I156 HydrophobicContact CB-CD1 3.97Å; V151-I156 HydrophobicContact CG2-CD1 3.81Å; N154-I156 HydrophobicContact CB-CD1 4.43Å; N154-I156 HydrophobicContact CB-CG1 4.27Å; I156-S158 WeakPolarHBondContact CG2-O 3.42Å; I156-L159 HydrophobicContact CG2-CD2 4.21Å; I156-L180 HydrophobicContact CD1-CD2 4.19Å; I156-N183 HydrophobicContact CB-CB 4.33Å; I156-N183 VanDerWaalsContact CB-OD1 3.29Å; I156-N183 WeakPolarHBondContact CB-OD1 3.5Å; I156-N183 WeakPolarHBondContact CG1-OD1 3.46Å; I156-N183 PolarHBondContact N-OD1 2.83Å; I156-R184 CarbonylContact O-C 3.58Å; I156-R184 WeakPolarHBondContact O-CA 3.32Å; I156-R184 PolarHBondContact O-N 3.05Å; I156-L185 HydrophobicContact CG2-CD2 4.07Å; I156-L185 PolarHBondContact O-N 3.27Å
157	A	97.4	Very high	96	Very high	55 Å²	55	48.3 Å²	48.3	46%	0.455	26%	0.264	S	S	.	.			trans	-103.8	-22.5	179.9	0	0	0	0	0	113.4	A155 R184	A155-A157 PolarHBondContact O-N 3.09Å; A157-R184 HydrophobicContact CB-CB 4.27Å
158	S	96.8	Very high	95.5	Very high	54 Å²	54	46.5 Å²	46.5	38%	0.378	26%	0.259	S	S	.	.			trans	-142	147.4	179.9	-177.2	0	0	0	0	111.3	I156 K160	I156-S158 WeakPolarHBondContact CG2-O 3.42Å; S158-K160 PolarHBondContact OG-N 3.41Å; S158-K160 VanDerWaalsContact OG-N 3.08Å; S158-K160 PolarHBondContact OG-O 3.36Å
159	L	97	Very high	95	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-101.3	5.3	171.2	-59.2	174.5	0	0	0	112.1	I138 N139 I156 L167 L180 L185 L188 I191	I138-L159 HydrophobicContact CD1-CD2 4.32Å; N139-L159 PolarHBondContact OD1-O 3.11Å; N139-L159 VanDerWaalsContact OD1-O 3.11Å; I156-L159 HydrophobicContact CG2-CD2 4.21Å; L159-L167 HydrophobicContact CB-CD1 4.43Å; L159-L167 HydrophobicContact CD2-CD1 4.41Å; L159-L180 HydrophobicContact CD1-CD1 3.91Å; L159-L180 HydrophobicContact CD2-CD1 4.17Å; L159-L180 HydrophobicContact CD2-CD2 3.98Å; L159-L185 HydrophobicContact CD1-CD1 4.19Å; L159-L185 HydrophobicContact CD1-CD2 4.39Å; L159-L185 HydrophobicContact CD2-CD2 4.16Å; L159-L185 HydrophobicContact CG-CD1 4.41Å; L159-L185 HydrophobicContact CG-CD2 3.83Å; L159-L188 HydrophobicContact CD1-CD2 4.39Å; L159-I191 HydrophobicContact CB-CG2 4.32Å; L159-I191 HydrophobicContact CD1-CG2 3.41Å; L159-I191 VanDerWaalsContact CD1-CG2 3.41Å; L159-I191 HydrophobicContact CG-CG2 4.41Å
160	K	95.4	Very high	94.6	Very high	43 Å²	43	52.1 Å²	52.1	19%	0.187	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-98.5	151.3	166.6	-66.5	-166.7	178.4	-171	0	110.5	N139 S158 D164 T165 N166 S189	N139-K160 PolarHBondContact ND2-O 2.96Å; S158-K160 PolarHBondContact OG-N 3.41Å; S158-K160 VanDerWaalsContact OG-N 3.08Å; S158-K160 PolarHBondContact OG-O 3.36Å; K160-D164 WeakPolarHBondContact CD-OD1 3.31Å; K160-D164 WeakPolarHBondContact CE-OD1 3.23Å; K160-D164 IonicContact NZ-OD1 2.85Å; K160-D164 PolarHBondContact NZ-OD1 3.12Å; K160-D164 IonicContact NZ-OD2 2.74Å; K160-D164 PolarHBondContact NZ-OD2 3.15Å; K160-T165 CarbonylContact C-O 3.49Å; K160-T165 VanDerWaalsContact CA-O 3.32Å; K160-T165 WeakPolarHBondContact CA-O 3.35Å; K160-N166 WeakPolarHBondContact CE-OD1 3.46Å; K160-S189 WeakPolarHBondContact CE-OG 3.37Å
161	S	92.3	Very high	94.3	Very high	24 Å²	24	51.6 Å²	51.6	17%	0.168	29%	0.292	C	S	.	.			trans	-67.8	170.6	172.9	73.2	0	0	0	0	111.9	N139 T163 D164 T165	N139-S161 WeakPolarHBondContact ND2-CA 3.45Å; N139-S161 PolarHBondContact ND2-N 3.47Å; S161-T163 PolarHBondContact O-N 3.24Å; S161-T163 VanDerWaalsContact O-N 3.16Å; S161-T163 PolarHBondContact OG-N 2.76Å; S161-T163 VanDerWaalsContact OG-N 3.17Å; S161-T163 PolarHBondContact OG-OG1 3.09Å; S161-D164 PolarHBondContact O-N 3.14Å; S161-T165 WeakPolarHBondContact CB-OG1 3.48Å; S161-T165 PolarHBondContact N-O 3.48Å; S161-T165 PolarHBondContact OG-N 3.45Å; S161-T165 PolarHBondContact OG-OG1 3.2Å
162	E	90.1	Very high	94.1	Very high	179 Å²	179	52 Å²	52	84%	0.836	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	171.1	-60.7	-173.6	151.9	0	0	112.5	K361	E162-K361 IonicContact OE1-NZ 2.9Å; E162-K361 PolarHBondContact OE1-NZ 2.93Å
163	T	91.9	Very high	94	Very high	116 Å²	116	53 Å²	53	71%	0.712	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	23.6	174.7	63.4	0	0	0	0	112.9	S161 T165	S161-T163 PolarHBondContact O-N 3.24Å; S161-T163 VanDerWaalsContact O-N 3.16Å; S161-T163 PolarHBondContact OG-N 2.76Å; S161-T163 VanDerWaalsContact OG-N 3.17Å; S161-T163 PolarHBondContact OG-OG1 3.09Å; T163-T165 PolarHBondContact O-N 2.92Å; T163-T165 VanDerWaalsContact O-N 3.15Å
164	D	89.3	Confident	93.8	Very high	108 Å²	108	53.3 Å²	53.3	58%	0.578	30%	0.303	S	S	*	.	S	Bend	trans	56.9	25.5	179.6	-159.5	51.7	0	0	0	115	K160 S161	K160-D164 WeakPolarHBondContact CD-OD1 3.31Å; K160-D164 WeakPolarHBondContact CE-OD1 3.23Å; K160-D164 IonicContact NZ-OD1 2.85Å; K160-D164 PolarHBondContact NZ-OD1 3.12Å; K160-D164 IonicContact NZ-OD2 2.74Å; K160-D164 PolarHBondContact NZ-OD2 3.15Å; S161-D164 PolarHBondContact O-N 3.14Å
165	T	92.7	Very high	93.8	Very high	78 Å²	78	52.8 Å²	52.8	48%	0.479	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-90.7	137.3	176.3	66.1	0	0	0	0	111.1	K160 S161 T163	K160-T165 CarbonylContact C-O 3.49Å; K160-T165 VanDerWaalsContact CA-O 3.32Å; K160-T165 WeakPolarHBondContact CA-O 3.35Å; S161-T165 WeakPolarHBondContact CB-OG1 3.48Å; S161-T165 PolarHBondContact N-O 3.48Å; S161-T165 PolarHBondContact OG-N 3.45Å; S161-T165 PolarHBondContact OG-OG1 3.2Å; T163-T165 PolarHBondContact O-N 2.92Å; T163-T165 VanDerWaalsContact O-N 3.15Å
166	N	94.6	Very high	93.8	Very high	41 Å²	41	53.8 Å²	53.8	22%	0.219	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-67.8	160.1	174.9	-65.1	-10.7	0	0	0	112	K160 S168 G190	K160-N166 WeakPolarHBondContact CE-OD1 3.46Å; N166-S168 PolarHBondContact O-N 3.32Å; N166-G190 CarbonylContact C-O 3.52Å; N166-G190 WeakPolarHBondContact CB-O 3.39Å; N166-G190 WeakPolarHBondContact OD1-CA 3.46Å
167	L	93.8	Very high	93.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-61.2	118.8	159.4	-62	177	0	0	0	108.6	I138 N139 L159 F172 G190 I191 M194	I138-L167 HydrophobicContact CD1-CD1 3.81Å; I138-L167 HydrophobicContact CG1-CD1 4.23Å; I138-L167 HydrophobicContact CG1-CD2 4.3Å; N139-L167 HydrophobicContact CB-CD2 4.43Å; N139-L167 WeakPolarHBondContact OD1-CD2 3.25Å; L159-L167 HydrophobicContact CB-CD1 4.43Å; L159-L167 HydrophobicContact CD2-CD1 4.41Å; L167-F172 HydrophobicContact CD2-CE2 4.22Å; L167-G190 WeakPolarHBondContact CB-O 3.47Å; L167-G190 PolarHBondContact N-O 3.47Å; L167-I191 HydrophobicContact CD1-CG2 4.44Å; L167-M194 HydrophobicContact CB-SD 4.29Å; L167-M194 HydrophobicContact CD1-SD 4.15Å
168	S	86.8	Confident	93.9	Very high	30 Å²	30	51.9 Å²	51.9	21%	0.21	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-90	154.4	-174.6	83.5	0	0	0	0	112.5	N166 E170 Q171 F172	N166-S168 PolarHBondContact O-N 3.32Å; S168-E170 PolarHBondContact O-N 3.03Å; S168-E170 WeakPolarHBondContact OG-CB 3.25Å; S168-E170 PolarHBondContact OG-N 3.12Å; S168-E170 VanDerWaalsContact OG-N 3.15Å; S168-Q171 PolarHBondContact O-N 2.85Å; S168-Q171 VanDerWaalsContact O-N 3.12Å; S168-Q171 PolarHBondContact OG-N 2.88Å; S168-F172 PolarHBondContact O-N 2.83Å
169	S	87.4	Confident	94	Very high	51 Å²	51	50.6 Å²	50.6	36%	0.357	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.3	166.9	54.4	0	0	0	0	113	P173 D193	S169-P173 WeakPolarHBondContact O-CA 3.31Å; S169-P173 VanDerWaalsContact O-CB 3.24Å; S169-P173 WeakPolarHBondContact O-CB 3.5Å; S169-P173 VanDerWaalsContact O-CD 3.31Å; S169-P173 WeakPolarHBondContact O-CD 3.31Å; S169-P173 VanDerWaalsContact O-N 3.09Å; S169-D193 WeakPolarHBondContact CB-O 3.45Å
170	E	90.7	Very high	94	Very high	167 Å²	167	50.6 Å²	50.6	78%	0.78	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-33.8	172.5	-54.5	-175	164.8	0	0	111.7	S168	S168-E170 PolarHBondContact O-N 3.03Å; S168-E170 WeakPolarHBondContact OG-CB 3.25Å; S168-E170 PolarHBondContact OG-N 3.12Å; S168-E170 VanDerWaalsContact OG-N 3.15Å
171	Q	93.3	Very high	94.2	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.145	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-39.1	176.5	-67.7	175.5	-90.7	0	0	111.9	N139 L141 F143 S168	N139-Q171 PolarHBondContact O-NE2 3.47Å; L141-Q171 PolarHBondContact O-NE2 3.19Å; F143-Q171 CarbonylContact C-O 3.58Å; F143-Q171 PolarHBondContact N-O 3.25Å; S168-Q171 PolarHBondContact O-N 2.85Å; S168-Q171 VanDerWaalsContact O-N 3.12Å; S168-Q171 PolarHBondContact OG-N 2.88Å
172	F	95	Very high	94.5	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.035	28%	0.279	C	S	.	.			trans	-138.5	57.8	-170.4	-59.9	-72.9	0	0	0	112.7	L141 F143 L146 L149 L167 S168 D174 L175	L141-F172 HydrophobicContact CB-CE1 4.46Å; L141-F172 HydrophobicContact CB-CZ 3.86Å; F143-F172 AromaticContact CD2-CE1 3.95Å; F143-F172 HydrophobicContact CD2-CE1 3.95Å; L146-F172 HydrophobicContact CD2-CD1 4.21Å; L146-F172 HydrophobicContact CD2-CE1 4.04Å; L149-F172 HydrophobicContact CD2-CE1 4.2Å; L149-F172 HydrophobicContact CD2-CZ 4.3Å; L167-F172 HydrophobicContact CD2-CE2 4.22Å; S168-F172 PolarHBondContact O-N 2.83Å; F172-D174 VanDerWaalsContact C-N 3.25Å; F172-D174 PolarHBondContact O-N 2.86Å; F172-L175 HydrophobicContact CB-CB 3.79Å; F172-L175 HydrophobicContact CB-CD2 4.36Å; F172-L175 HydrophobicContact CG-CD2 4.46Å; F172-L175 PolarHBondContact O-N 3.37Å
173	P	95.2	Very high	94.9	Very high	38 Å²	38	44.1 Å²	44.1	25%	0.247	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.6	-173.7	24.8	-34	0	0	0	112.4	P144 S169 N196	P144-P173 HydrophobicContact CB-CG 4.42Å; P144-P173 VanDerWaalsContact O-CG 3.27Å; P144-P173 WeakPolarHBondContact O-CG 3.43Å; S169-P173 WeakPolarHBondContact O-CA 3.31Å; S169-P173 VanDerWaalsContact O-CB 3.24Å; S169-P173 WeakPolarHBondContact O-CB 3.5Å; S169-P173 VanDerWaalsContact O-CD 3.31Å; S169-P173 WeakPolarHBondContact O-CD 3.31Å; S169-P173 VanDerWaalsContact O-N 3.09Å; P173-N196 PolarHBondContact O-ND2 2.91Å
174	D	96.2	Very high	95.2	Very high	58 Å²	58	46.1 Å²	46.1	31%	0.31	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.7	-176.4	-74.8	-10.1	0	0	0	113.6	L146 Q147 F172 H176	L146-D174 CarbonylContact O-C 3.58Å; Q147-D174 WeakPolarHBondContact CA-O 3.4Å; Q147-D174 HydrophobicContact CG-CB 4.49Å; F172-D174 VanDerWaalsContact C-N 3.25Å; F172-D174 PolarHBondContact O-N 2.86Å; D174-H176 PolarHBondContact O-CE1 2.76Å; D174-H176 PolarHBondContact O-N 3.38Å; D174-H176 PolarHBondContact O-ND1 3.25Å
175	L	97.7	Very high	95.6	Very high	3 Å²	3	41 Å²	41	2%	0.016	21%	0.209	C	C	.	.			trans	-76.7	117.7	-174.3	-166.2	80	0	0	0	111.7	L146 L149 F172 L178 M194 N196 L197	L146-L175 HydrophobicContact CB-CD1 4.4Å; L146-L175 HydrophobicContact CD2-CD1 4.01Å; L146-L175 HydrophobicContact CG-CD1 3.99Å; L146-L175 WeakPolarHBondContact O-CA 3.42Å; L146-L175 PolarHBondContact O-N 2.91Å; L146-L175 VanDerWaalsContact O-N 3.13Å; L149-L175 HydrophobicContact CB-CD1 3.79Å; L149-L175 HydrophobicContact CB-CD2 4.33Å; F172-L175 HydrophobicContact CB-CB 3.79Å; F172-L175 HydrophobicContact CB-CD2 4.36Å; F172-L175 HydrophobicContact CG-CD2 4.46Å; F172-L175 PolarHBondContact O-N 3.37Å; L175-L178 HydrophobicContact CD2-CB 4.21Å; L175-M194 HydrophobicContact CD2-CE 3.37Å; L175-M194 HydrophobicContact CG-CE 4.49Å; L175-N196 CarbonylContact O-C 3.41Å; L175-L197 HydrophobicContact CD2-CD1 4.43Å; L175-L197 PolarHBondContact O-N 3.09Å
176	H	97.8	Very high	95.8	Very high	44 Å²	44	40.1 Å²	40.1	20%	0.204	21%	0.206	C	C	.	.			trans	-105	-29.9	-176.9	-64.7	98.1	0	0	0	112.6	Q147 D174 K198 T199	Q147-H176 PolarHBondContact O-N 3.09Å; D174-H176 PolarHBondContact O-CE1 2.76Å; D174-H176 PolarHBondContact O-N 3.38Å; D174-H176 PolarHBondContact O-ND1 3.25Å; H176-K198 PolarHBondContact CD2-NZ 3.34Å; H176-K198 PolarHBondContact O-N 3.36Å; H176-T199 PolarHBondContact O-N 3.15Å
177	T	98.7	Very high	95.9	Very high	15 Å²	15	39 Å²	39	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.8	-178.9	-55.7	0	0	0	0	110.4	Q147 Y148 L149 E179 T199 Y201	Q147-T177 PolarHBondContact O-N 3.32Å; Y148-T177 HydrophobicContact CD1-CG2 4.22Å; Y148-T177 WeakPolarHBondContact CE1-OG1 3.44Å; L149-T177 PolarHBondContact N-O 3.43Å; T177-E179 HydrophobicContact CG2-CG 4.18Å; T177-T199 WeakPolarHBondContact CA-O 3.34Å; T177-T199 HydrophobicContact CG2-CG2 4.37Å; T177-Y201 HydrophobicContact CG2-CD2 4.34Å; T177-Y201 HydrophobicContact CG2-CE2 4.09Å
178	L	98.6	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.5	173.1	178.2	58.7	0	0	0	109.2	I138 L149 V151 L175 L180 M194 L197 T199 L200 Y201	I138-L178 HydrophobicContact CD1-CD1 4.47Å; L149-L178 HydrophobicContact CB-CD1 4.09Å; L149-L178 HydrophobicContact CD2-CD1 3.94Å; L149-L178 HydrophobicContact CG-CD1 4.02Å; L149-L178 WeakPolarHBondContact O-CA 3.23Å; V151-L178 HydrophobicContact CG2-CD1 4.48Å; L175-L178 HydrophobicContact CD2-CB 4.21Å; L178-L180 HydrophobicContact CD1-CG 4.21Å; L178-L180 HydrophobicContact CD2-CD1 3.64Å; L178-L180 HydrophobicContact CD2-CG 4.25Å; L178-L180 HydrophobicContact CG-CD1 3.82Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L178-M194 HydrophobicContact CD2-CE 4.11Å; L178-M194 HydrophobicContact CD2-SD 4.28Å; L178-L197 HydrophobicContact CB-CD1 3.76Å; L178-T199 PolarHBondContact N-O 2.79Å; L178-T199 VanDerWaalsContact N-O 3.13Å; L178-L200 HydrophobicContact CB-CD1 4.08Å; L178-L200 HydrophobicContact CD2-CD1 4.18Å; L178-L200 HydrophobicContact CG-CD1 4.16Å; L178-Y201 PolarHBondContact O-N 3Å
179	E	98.8	Very high	96.5	Very high	28 Å²	28	38.5 Å²	38.5	13%	0.131	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.5	175.2	-48.5	-172.7	-169.5	0	0	111	L149 K150 V151 N152 T177 Y201	L149-E179 PolarHBondContact O-N 3.44Å; K150-E179 HydrophobicContact CB-CB 4.38Å; K150-E179 VanDerWaalsContact CE-OE1 3.22Å; K150-E179 WeakPolarHBondContact CE-OE1 3.39Å; K150-E179 HydrophobicContact CG-CB 4.21Å; K150-E179 HydrophobicContact CG-CG 3.99Å; K150-E179 IonicContact NZ-OE1 3.19Å; K150-E179 PolarHBondContact NZ-OE1 3.3Å; K150-E179 IonicContact NZ-OE2 3.04Å; K150-E179 PolarHBondContact NZ-OE2 3.13Å; V151-E179 CarbonylContact C-O 3.21Å; V151-E179 VanDerWaalsContact CG2-O 3.23Å; V151-E179 WeakPolarHBondContact CG2-O 3.32Å; V151-E179 PolarHBondContact N-O 3.42Å; N152-E179 PolarHBondContact ND2-OE2 2.86Å; N152-E179 VanDerWaalsContact OD1-C 3.26Å; N152-E179 VanDerWaalsContact OD1-CB 3.23Å; N152-E179 WeakPolarHBondContact OD1-CB 3.21Å; T177-E179 HydrophobicContact CG2-CG 4.18Å; E179-Y201 HydrophobicContact CB-CD2 4.49Å; E179-Y201 HydrophobicContact CG-CD2 3.65Å; E179-Y201 HydrophobicContact CG-CE2 4.27Å; E179-Y201 HydrophobicContact CG-CG 4.25Å
180	L	98.7	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.			trans	-127.3	18.4	-174.6	-72.6	160.4	0	0	0	111.7	V151 N152 I156 L159 L178 N183 L185 L200 Y201 N205	V151-L180 HydrophobicContact CG2-CD2 3.56Å; V151-L180 HydrophobicContact CG2-CG 4.28Å; N152-L180 PolarHBondContact OD1-N 2.89Å; I156-L180 HydrophobicContact CD1-CD2 4.19Å; L159-L180 HydrophobicContact CD1-CD1 3.91Å; L159-L180 HydrophobicContact CD2-CD1 4.17Å; L159-L180 HydrophobicContact CD2-CD2 3.98Å; L178-L180 HydrophobicContact CD1-CG 4.21Å; L178-L180 HydrophobicContact CD2-CD1 3.64Å; L178-L180 HydrophobicContact CD2-CG 4.25Å; L178-L180 HydrophobicContact CG-CD1 3.82Å; L178-L180 HydrophobicContact CG-CG 3.94Å; L180-N183 PolarHBondContact O-ND2 3.46Å; L180-L185 HydrophobicContact CB-CD1 4.09Å; L180-L185 HydrophobicContact CD1-CD1 3.91Å; L180-L185 HydrophobicContact CD2-CD1 4.25Å; L180-L185 HydrophobicContact CG-CD1 4.33Å; L180-L200 HydrophobicContact CD1-CD1 4.12Å; L180-Y201 CarbonylContact C-O 3.4Å; L180-Y201 WeakPolarHBondContact CA-O 3.37Å; L180-Y201 WeakPolarHBondContact CB-O 3.44Å; L180-Y201 PolarHBondContact N-O 3.17Å; L180-N205 PolarHBondContact O-ND2 3.31Å
181	R	98.7	Very high	97.2	Very high	81 Å²	81	28.1 Å²	28.1	31%	0.306	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	144.7	-178.7	-174.7	-171.8	78.7	90.7	5.9	110.8	N152 D153 N183 A203 E204	N152-R181 CarbonylContact C-O 3.45Å; N152-R181 WeakPolarHBondContact CA-O 3.37Å; N152-R181 HydrophobicContact CB-CB 4.14Å; N152-R181 VanDerWaalsContact OD1-CB 3.23Å; N152-R181 WeakPolarHBondContact OD1-CB 3.38Å; N152-R181 PolarHBondContact OD1-N 3.18Å; D153-R181 PolarHBondContact N-O 3.1Å; D153-R181 IonicContact OD1-CZ 2.75Å; D153-R181 IonicContact OD1-NH2 3Å; D153-R181 PolarHBondContact OD1-NH2 3.06Å; D153-R181 IonicContact OD2-CZ 3.08Å; D153-R181 IonicContact OD2-NE 3.97Å; D153-R181 IonicContact OD2-NH2 3.29Å; D153-R181 PolarHBondContact OD2-NH2 3.29Å; R181-N183 VanDerWaalsContact C-N 3.33Å; R181-N183 PolarHBondContact O-N 3.49Å; R181-N183 PolarHBondContact O-ND2 3.27Å; R181-A203 CarbonylContact C-O 3.37Å; R181-A203 WeakPolarHBondContact CA-O 3.29Å; R181-A203 HydrophobicContact CG-CB 4.05Å; R181-A203 WeakPolarHBondContact CG-O 3.31Å; R181-E204 HydrophobicContact CG-CB 4.32Å; R181-E204 IonicContact CZ-OE1 2.78Å; R181-E204 IonicContact NH1-OE1 2.76Å; R181-E204 PolarHBondContact NH1-OE1 3.15Å; R181-E204 IonicContact NH1-OE2 3.43Å; R181-E204 PolarHBondContact NH1-OE2 2.83Å
182	G	98.6	Very high	97.3	Very high	20 Å²	20	28.7 Å²	28.7	21%	0.206	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	30.8	170.9	0	0	0	0	0	113.9	D153 A203 E204	D153-G182 WeakPolarHBondContact CA-O 3.18Å; G182-A203 PolarHBondContact N-O 3.2Å; G182-E204 WeakPolarHBondContact CA-O 3.36Å; G182-E204 PolarHBondContact N-O 3.41Å
183	N	98.8	Very high	97.3	Very high	9 Å²	9	32 Å²	32	5%	0.048	17%	0.165	C	C	.	.	S	Bend	trans	-105.7	-167.3	173.8	-81.7	-79	0	0	0	110.4	V151 N154 I156 L180 R181 L185 N205	V151-N183 PolarHBondContact O-ND2 2.87Å; N154-N183 WeakPolarHBondContact CA-OD1 3.32Å; N154-N183 VanDerWaalsContact CB-OD1 3.27Å; N154-N183 WeakPolarHBondContact CB-OD1 3.43Å; N154-N183 PolarHBondContact O-OD1 2.83Å; I156-N183 HydrophobicContact CB-CB 4.33Å; I156-N183 VanDerWaalsContact CB-OD1 3.29Å; I156-N183 WeakPolarHBondContact CB-OD1 3.5Å; I156-N183 WeakPolarHBondContact CG1-OD1 3.46Å; I156-N183 PolarHBondContact N-OD1 2.83Å; L180-N183 PolarHBondContact O-ND2 3.46Å; R181-N183 VanDerWaalsContact C-N 3.33Å; R181-N183 PolarHBondContact O-N 3.49Å; R181-N183 PolarHBondContact O-ND2 3.27Å; N183-L185 HydrophobicContact CB-CG 4.41Å; N183-N205 WeakPolarHBondContact CA-OD1 3.16Å; N183-N205 VanDerWaalsContact CB-OD1 3.23Å; N183-N205 WeakPolarHBondContact CB-OD1 3.43Å; N183-N205 PolarHBondContact O-OD1 3.06Å
184	R	98.1	Very high	97.3	Very high	158 Å²	158	30.7 Å²	30.7	60%	0.596	16%	0.156	S	C	*	.			trans	-114.3	23.4	-175.4	-56.6	179	-174.5	-176.7	1	112.5	I156 A157 S186 N205 L206	I156-R184 CarbonylContact O-C 3.58Å; I156-R184 WeakPolarHBondContact O-CA 3.32Å; I156-R184 PolarHBondContact O-N 3.05Å; A157-R184 HydrophobicContact CB-CB 4.27Å; R184-S186 PolarHBondContact O-N 2.86Å; R184-N205 PolarHBondContact N-OD1 3.29Å; R184-L206 HydrophobicContact CB-CD1 4.5Å
185	L	98.3	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.			trans	-66.9	129.5	-175.4	-62	172.3	0	0	0	111.2	I156 L159 L180 N183 L188 N205 L206 L207	I156-L185 HydrophobicContact CG2-CD2 4.07Å; I156-L185 PolarHBondContact O-N 3.27Å; L159-L185 HydrophobicContact CD1-CD1 4.19Å; L159-L185 HydrophobicContact CD1-CD2 4.39Å; L159-L185 HydrophobicContact CD2-CD2 4.16Å; L159-L185 HydrophobicContact CG-CD1 4.41Å; L159-L185 HydrophobicContact CG-CD2 3.83Å; L180-L185 HydrophobicContact CB-CD1 4.09Å; L180-L185 HydrophobicContact CD1-CD1 3.91Å; L180-L185 HydrophobicContact CD2-CD1 4.25Å; L180-L185 HydrophobicContact CG-CD1 4.33Å; N183-L185 HydrophobicContact CB-CG 4.41Å; L185-L188 HydrophobicContact CD1-CD2 4.3Å; L185-N205 HydrophobicContact CB-CB 4.37Å; L185-N205 VanDerWaalsContact CB-OD1 3.31Å; L185-N205 WeakPolarHBondContact CB-OD1 2.94Å; L185-N205 WeakPolarHBondContact CG-OD1 3.32Å; L185-N205 PolarHBondContact N-OD1 3.08Å; L185-L206 CarbonylContact O-C 3.3Å; L185-L206 VanDerWaalsContact O-CA 3.25Å; L185-L206 WeakPolarHBondContact O-CA 3.5Å; L185-L206 WeakPolarHBondContact O-CB 3.34Å; L185-L206 PolarHBondContact O-N 3.42Å; L185-L207 HydrophobicContact CB-CD2 3.88Å; L185-L207 PolarHBondContact O-N 3.38Å; L185-L207 VanDerWaalsContact O-N 3.13Å
186	S	96.6	Very high	97.1	Very high	61 Å²	61	35.2 Å²	35.2	43%	0.427	18%	0.179	S	C	.	.	S	Bend	trans	-99.4	-19.2	173.2	64.6	0	0	0	0	113.3	R184 R208	R184-S186 PolarHBondContact O-N 2.86Å; S186-R208 PolarHBondContact O-N 3.21Å
187	T	96.8	Very high	97.1	Very high	16 Å²	16	33.2 Å²	33.2	10%	0.098	17%	0.17	C	C	.	.			trans	-145.2	165.3	176.2	-174.2	0	0	0	0	109.8	S189	T187-S189 PolarHBondContact OG1-N 2.99Å
188	L	97.4	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.			trans	-101	4	170.7	-63.9	177.2	0	0	0	112.6	L159 L185 G190 I191 L200 C202 L207 L210 E211 I213	L159-L188 HydrophobicContact CD1-CD2 4.39Å; L185-L188 HydrophobicContact CD1-CD2 4.3Å; L188-G190 PolarHBondContact O-N 3.44Å; L188-I191 HydrophobicContact CB-CD1 4Å; L188-I191 WeakPolarHBondContact O-CG1 3.46Å; L188-I191 PolarHBondContact O-N 2.86Å; L188-L200 HydrophobicContact CD1-CD2 3.99Å; L188-C202 HydrophobicContact CD2-CB 4.34Å; L188-L207 HydrophobicContact CD1-CD1 4.41Å; L188-L207 HydrophobicContact CD2-CD1 4.1Å; L188-L207 HydrophobicContact CD2-CD2 3.98Å; L188-L207 HydrophobicContact CG-CD1 4.19Å; L188-L207 HydrophobicContact CG-CD2 4Å; L188-L210 HydrophobicContact CD1-CB 4.44Å; L188-L210 HydrophobicContact CD1-CD2 3.83Å; L188-L210 HydrophobicContact CG-CD2 4.46Å; L188-E211 CarbonylContact C-O 3.54Å; L188-E211 WeakPolarHBondContact CA-O 3.29Å; L188-E211 VanDerWaalsContact CB-O 3.28Å; L188-E211 WeakPolarHBondContact CB-O 3.27Å; L188-E211 PolarHBondContact N-O 3.08Å; L188-I213 HydrophobicContact CB-CG2 4.22Å; L188-I213 HydrophobicContact CD1-CG2 3.45Å; L188-I213 VanDerWaalsContact CD1-CG2 3.45Å; L188-I213 HydrophobicContact CG-CG2 4.49Å
189	S	96.1	Very high	97.1	Very high	21 Å²	21	37.7 Å²	37.7	15%	0.147	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.6	176.8	-174.2	0	0	0	0	109.8	K160 T187 E211	K160-S189 WeakPolarHBondContact CE-OG 3.37Å; T187-S189 PolarHBondContact OG1-N 2.99Å; S189-E211 PolarHBondContact N-O 3.07Å
190	G	96	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.1	-17.9	-170	0	0	0	0	0	113.6	N166 L167 L188 D192	N166-G190 CarbonylContact C-O 3.52Å; N166-G190 WeakPolarHBondContact CB-O 3.39Å; N166-G190 WeakPolarHBondContact OD1-CA 3.46Å; L167-G190 WeakPolarHBondContact CB-O 3.47Å; L167-G190 PolarHBondContact N-O 3.47Å; L188-G190 PolarHBondContact O-N 3.44Å; G190-D192 PolarHBondContact N-OD2 2.8Å
191	I	96.8	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-100.3	5	176.4	72	-176	0	0	0	113.8	L159 L167 L188 D193 M194 L200 I213 L216	L159-I191 HydrophobicContact CB-CG2 4.32Å; L159-I191 HydrophobicContact CD1-CG2 3.41Å; L159-I191 VanDerWaalsContact CD1-CG2 3.41Å; L159-I191 HydrophobicContact CG-CG2 4.41Å; L167-I191 HydrophobicContact CD1-CG2 4.44Å; L188-I191 HydrophobicContact CB-CD1 4Å; L188-I191 WeakPolarHBondContact O-CG1 3.46Å; L188-I191 PolarHBondContact O-N 2.86Å; I191-D193 PolarHBondContact O-N 2.95Å; I191-M194 HydrophobicContact CB-CG 4.09Å; I191-M194 HydrophobicContact CB-SD 3.57Å; I191-M194 VanDerWaalsContact CB-SD 3.57Å; I191-M194 HydrophobicContact CG2-SD 3.62Å; I191-M194 VanDerWaalsContact O-CB 3.29Å; I191-M194 WeakPolarHBondContact O-CB 3.42Å; I191-M194 WeakPolarHBondContact O-CG 3.5Å; I191-M194 PolarHBondContact O-N 2.99Å; I191-L200 HydrophobicContact CD1-CD2 3.65Å; I191-I213 HydrophobicContact CD1-CG2 4.32Å; I191-L216 HydrophobicContact CD1-CD1 3.79Å; I191-L216 HydrophobicContact CG1-CD1 4.1Å; I191-L216 WeakPolarHBondContact O-CD2 3.43Å
192	D	95.2	Very high	97	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.1	-170.7	-56.2	-118.8	0	0	0	113.3	G190 G212 S215	G190-D192 PolarHBondContact N-OD2 2.8Å; D192-G212 WeakPolarHBondContact OD1-CA 3.48Å; D192-S215 WeakPolarHBondContact CA-OG 2.88Å; D192-S215 WeakPolarHBondContact O-CB 3.41Å; D192-S215 PolarHBondContact O-OG 2.92Å
193	D	94.2	Very high	97	Very high	79 Å²	79	35.6 Å²	35.6	42%	0.422	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.9	-176.6	-62.5	-46.6	0	0	0	113.9	S169 I191 I195	S169-D193 WeakPolarHBondContact CB-O 3.45Å; I191-D193 PolarHBondContact O-N 2.95Å; D193-I195 PolarHBondContact O-N 3.04Å
194	M	95	Very high	97	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.049	19%	0.188	C	C	.	.			trans	-79	55.1	-177.6	-59.3	-175.1	74.1	0	0	112.5	L167 L175 L178 I191 N196 L197 L216	L167-M194 HydrophobicContact CB-SD 4.29Å; L167-M194 HydrophobicContact CD1-SD 4.15Å; L175-M194 HydrophobicContact CD2-CE 3.37Å; L175-M194 HydrophobicContact CG-CE 4.49Å; L178-M194 HydrophobicContact CD2-CE 4.11Å; L178-M194 HydrophobicContact CD2-SD 4.28Å; I191-M194 HydrophobicContact CB-CG 4.09Å; I191-M194 HydrophobicContact CB-SD 3.57Å; I191-M194 VanDerWaalsContact CB-SD 3.57Å; I191-M194 HydrophobicContact CG2-SD 3.62Å; I191-M194 VanDerWaalsContact O-CB 3.29Å; I191-M194 WeakPolarHBondContact O-CB 3.42Å; I191-M194 WeakPolarHBondContact O-CG 3.5Å; I191-M194 PolarHBondContact O-N 2.99Å; M194-N196 PolarHBondContact O-N 3.28Å; M194-L197 HydrophobicContact CB-CB 4.24Å; M194-L197 HydrophobicContact CE-CD1 4.33Å; M194-L197 WeakPolarHBondContact O-CB 3.16Å; M194-L197 PolarHBondContact O-N 3.05Å; M194-L216 HydrophobicContact CB-CD2 4.21Å; M194-L216 WeakPolarHBondContact O-CD2 3.32Å
195	I	93.2	Very high	97.1	Very high	90 Å²	90	31 Å²	31	46%	0.462	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.1	-169.2	61	169.4	0	0	0	115.4	D193 S218	D193-I195 PolarHBondContact O-N 3.04Å; I195-S218 WeakPolarHBondContact O-CB 3.37Å; I195-S218 PolarHBondContact O-OG 2.76Å
196	N	96	Very high	97.1	Very high	66 Å²	66	34 Å²	34	35%	0.353	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-4	178.9	-69.4	-39.7	0	0	0	113.4	P173 L175 M194 K198	P173-N196 PolarHBondContact O-ND2 2.91Å; L175-N196 CarbonylContact O-C 3.41Å; M194-N196 PolarHBondContact O-N 3.28Å; N196-K198 PolarHBondContact O-N 3.04Å
197	L	97.6	Very high	97.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.157	C	C	.	.			trans	-65	123.8	179.8	-164.3	70.8	0	0	0	110.4	L175 L178 M194 L200 L216 S218 L219	L175-L197 HydrophobicContact CD2-CD1 4.43Å; L175-L197 PolarHBondContact O-N 3.09Å; L178-L197 HydrophobicContact CB-CD1 3.76Å; M194-L197 HydrophobicContact CB-CB 4.24Å; M194-L197 HydrophobicContact CE-CD1 4.33Å; M194-L197 WeakPolarHBondContact O-CB 3.16Å; M194-L197 PolarHBondContact O-N 3.05Å; L197-L200 HydrophobicContact CD2-CB 4.12Å; L197-L200 HydrophobicContact CD2-CD1 4.19Å; L197-L200 HydrophobicContact CD2-CD2 4.44Å; L197-L200 HydrophobicContact CD2-CG 4.49Å; L197-L216 HydrophobicContact CD2-CD1 4.26Å; L197-S218 CarbonylContact O-C 3.3Å; L197-L219 HydrophobicContact CD2-CD1 4.39Å; L197-L219 HydrophobicContact CG-CD1 4.37Å; L197-L219 VanDerWaalsContact O-CA 3.31Å; L197-L219 WeakPolarHBondContact O-CA 3.16Å; L197-L219 PolarHBondContact O-N 3.3Å; L197-L219 VanDerWaalsContact O-N 3.16Å
198	K	98.5	Very high	97.2	Very high	97 Å²	97	38.4 Å²	38.4	42%	0.422	18%	0.183	S	C	.	.			trans	-106.6	-32	-179	-69.2	175.9	-178.1	160.8	0	112.3	H176 N196 V220 R221	H176-K198 PolarHBondContact CD2-NZ 3.34Å; H176-K198 PolarHBondContact O-N 3.36Å; N196-K198 PolarHBondContact O-N 3.04Å; K198-V220 WeakPolarHBondContact O-CA 3.28Å; K198-V220 PolarHBondContact O-N 3.23Å; K198-R221 PolarHBondContact O-N 2.67Å; K198-R221 VanDerWaalsContact O-N 3.11Å
199	T	98.8	Very high	97.1	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.6	-177.3	-54.7	0	0	0	0	110.1	H176 T177 L178 Y201 R221	H176-T199 PolarHBondContact O-N 3.15Å; T177-T199 WeakPolarHBondContact CA-O 3.34Å; T177-T199 HydrophobicContact CG2-CG2 4.37Å; L178-T199 PolarHBondContact N-O 2.79Å; L178-T199 VanDerWaalsContact N-O 3.13Å; T199-Y201 HydrophobicContact CG2-CD2 3.74Å; T199-Y201 HydrophobicContact CG2-CE2 3.14Å; T199-R221 WeakPolarHBondContact CA-O 3.41Å; T199-R221 HydrophobicContact CG2-CB 4.06Å
200	L	98.7	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.6	178	-179.3	58.7	0	0	0	110.2	L178 L180 L188 I191 L197 C202 L219 R221 L222 H223	L178-L200 HydrophobicContact CB-CD1 4.08Å; L178-L200 HydrophobicContact CD2-CD1 4.18Å; L178-L200 HydrophobicContact CG-CD1 4.16Å; L180-L200 HydrophobicContact CD1-CD1 4.12Å; L188-L200 HydrophobicContact CD1-CD2 3.99Å; I191-L200 HydrophobicContact CD1-CD2 3.65Å; L197-L200 HydrophobicContact CD2-CB 4.12Å; L197-L200 HydrophobicContact CD2-CD1 4.19Å; L197-L200 HydrophobicContact CD2-CD2 4.44Å; L197-L200 HydrophobicContact CD2-CG 4.49Å; L200-C202 WeakPolarHBondContact CD1-SG 3.37Å; L200-C202 WeakPolarHBondContact CG-SG 3.45Å; L200-L219 HydrophobicContact CB-CD1 3.86Å; L200-R221 PolarHBondContact N-O 2.9Å; L200-L222 HydrophobicContact CB-CD1 4Å; L200-L222 HydrophobicContact CD2-CD1 3.88Å; L200-L222 HydrophobicContact CG-CD1 4.05Å; L200-H223 PolarHBondContact O-N 2.87Å
201	Y	98.8	Very high	97.1	Very high	75 Å²	75	46.3 Å²	46.3	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.5	173.8	-61.5	-96.4	0	0	0	110.3	T177 L178 E179 L180 T199 H223	T177-Y201 HydrophobicContact CG2-CD2 4.34Å; T177-Y201 HydrophobicContact CG2-CE2 4.09Å; L178-Y201 PolarHBondContact O-N 3Å; E179-Y201 HydrophobicContact CB-CD2 4.49Å; E179-Y201 HydrophobicContact CG-CD2 3.65Å; E179-Y201 HydrophobicContact CG-CE2 4.27Å; E179-Y201 HydrophobicContact CG-CG 4.25Å; L180-Y201 CarbonylContact C-O 3.4Å; L180-Y201 WeakPolarHBondContact CA-O 3.37Å; L180-Y201 WeakPolarHBondContact CB-O 3.44Å; L180-Y201 PolarHBondContact N-O 3.17Å; T199-Y201 HydrophobicContact CG2-CD2 3.74Å; T199-Y201 HydrophobicContact CG2-CE2 3.14Å; Y201-H223 HydrophobicContact CD1-CB 3.74Å; Y201-H223 AromaticContact CD1-CD2 3.52Å; Y201-H223 AromaticContact CD1-CG 3.51Å; Y201-H223 HydrophobicContact CE1-CB 4.39Å; Y201-H223 AromaticContact CE1-CD2 3.34Å; Y201-H223 WeakPolarHBondContact CE1-CD2 3.23Å; Y201-H223 AromaticContact CE1-CE1 3.74Å; Y201-H223 AromaticContact CE1-CG 3.67Å; Y201-H223 AromaticContact CE1-ND1 3.89Å; Y201-H223 AromaticContact CE1-NE2 3.43Å; Y201-H223 WeakPolarHBondContact CE1-NE2 3.35Å; Y201-H223 HydrophobicContact CG-CB 4.38Å; Y201-H223 AromaticContact CZ-NE2 3.99Å
202	C	98.3	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.			trans	-131.6	31.8	178.9	-59.4	0	0	0	0	111.3	L188 L200 N205 L207 H223 L224 N227	L188-C202 HydrophobicContact CD2-CB 4.34Å; L200-C202 WeakPolarHBondContact CD1-SG 3.37Å; L200-C202 WeakPolarHBondContact CG-SG 3.45Å; C202-N205 PolarHBondContact O-ND2 2.67Å; C202-L207 HydrophobicContact CB-CD1 3.9Å; C202-H223 CarbonylContact C-O 3.44Å; C202-H223 PolarHBondContact N-O 3.16Å; C202-L224 HydrophobicContact CB-CD2 4.34Å; C202-N227 PolarHBondContact O-ND2 3.09Å
203	A	98.7	Very high	97.1	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	20%	0.204	C	C	.	.			trans	-64	157.7	176.5	0	0	0	0	0	111.6	R181 G182 N205 H223 R225	R181-A203 CarbonylContact C-O 3.37Å; R181-A203 WeakPolarHBondContact CA-O 3.29Å; R181-A203 HydrophobicContact CG-CB 4.05Å; R181-A203 WeakPolarHBondContact CG-O 3.31Å; G182-A203 PolarHBondContact N-O 3.2Å; A203-N205 PolarHBondContact O-N 2.78Å; A203-N205 PolarHBondContact O-ND2 3.29Å; A203-H223 PolarHBondContact N-O 3.43Å; A203-R225 CarbonylContact C-O 3.45Å; A203-R225 WeakPolarHBondContact CA-O 3.46Å; A203-R225 HydrophobicContact CB-CB 3.84Å; A203-R225 WeakPolarHBondContact CB-O 3.24Å
204	E	98.7	Very high	97.1	Very high	63 Å²	63	43 Å²	43	29%	0.294	20%	0.2	S	C	.	.	S	Bend	trans	54.6	49.8	176.3	-62.6	164.5	-120.6	0	0	112.1	R181 G182 R225 D226	R181-E204 HydrophobicContact CG-CB 4.32Å; R181-E204 IonicContact CZ-OE1 2.78Å; R181-E204 IonicContact NH1-OE1 2.76Å; R181-E204 PolarHBondContact NH1-OE1 3.15Å; R181-E204 IonicContact NH1-OE2 3.43Å; R181-E204 PolarHBondContact NH1-OE2 2.83Å; G182-E204 WeakPolarHBondContact CA-O 3.36Å; G182-E204 PolarHBondContact N-O 3.41Å; E204-R225 PolarHBondContact N-O 3.32Å; E204-R225 IonicContact OE1-CZ 2.79Å; E204-R225 IonicContact OE1-NH2 2.96Å; E204-R225 PolarHBondContact OE1-NH2 3Å; E204-D226 VanDerWaalsContact CA-O 3.25Å; E204-D226 WeakPolarHBondContact CA-O 3.43Å; E204-D226 HydrophobicContact CG-CB 3.93Å; E204-D226 PolarHBondContact N-O 2.88Å
205	N	98.8	Very high	97.1	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.032	21%	0.21	C	C	.	.	S	Bend	trans	-121.1	-169.8	173.8	-86.8	-91.3	0	0	0	109.6	L180 N183 R184 L185 C202 A203 L207 D226 N227	L180-N205 PolarHBondContact O-ND2 3.31Å; N183-N205 WeakPolarHBondContact CA-OD1 3.16Å; N183-N205 VanDerWaalsContact CB-OD1 3.23Å; N183-N205 WeakPolarHBondContact CB-OD1 3.43Å; N183-N205 PolarHBondContact O-OD1 3.06Å; R184-N205 PolarHBondContact N-OD1 3.29Å; L185-N205 HydrophobicContact CB-CB 4.37Å; L185-N205 VanDerWaalsContact CB-OD1 3.31Å; L185-N205 WeakPolarHBondContact CB-OD1 2.94Å; L185-N205 WeakPolarHBondContact CG-OD1 3.32Å; L185-N205 PolarHBondContact N-OD1 3.08Å; C202-N205 PolarHBondContact O-ND2 2.67Å; A203-N205 PolarHBondContact O-N 2.78Å; A203-N205 PolarHBondContact O-ND2 3.29Å; N205-L207 HydrophobicContact CB-CG 4.1Å; N205-D226 PolarHBondContact N-O 3.49Å; N205-N227 WeakPolarHBondContact CA-OD1 3.46Å; N205-N227 WeakPolarHBondContact CB-OD1 3.34Å; N205-N227 PolarHBondContact N-OD1 3.27Å; N205-N227 PolarHBondContact O-OD1 2.87Å
206	L	98.4	Very high	97.3	Very high	65 Å²	65	40.1 Å²	40.1	34%	0.34	19%	0.188	S	C	.	.			trans	-108.9	21.9	-179	-51.1	179.5	0	0	0	112.1	R184 L185 R208	R184-L206 HydrophobicContact CB-CD1 4.5Å; L185-L206 CarbonylContact O-C 3.3Å; L185-L206 VanDerWaalsContact O-CA 3.25Å; L185-L206 WeakPolarHBondContact O-CA 3.5Å; L185-L206 WeakPolarHBondContact O-CB 3.34Å; L185-L206 PolarHBondContact O-N 3.42Å; L206-R208 PolarHBondContact O-N 3.47Å
207	L	98.5	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.			trans	-62.4	121.6	-169.8	-61.3	172	0	0	0	111.2	L185 L188 C202 N205 L210 L224 N227 R228 L229	L185-L207 HydrophobicContact CB-CD2 3.88Å; L185-L207 PolarHBondContact O-N 3.38Å; L185-L207 VanDerWaalsContact O-N 3.13Å; L188-L207 HydrophobicContact CD1-CD1 4.41Å; L188-L207 HydrophobicContact CD2-CD1 4.1Å; L188-L207 HydrophobicContact CD2-CD2 3.98Å; L188-L207 HydrophobicContact CG-CD1 4.19Å; L188-L207 HydrophobicContact CG-CD2 4Å; C202-L207 HydrophobicContact CB-CD1 3.9Å; N205-L207 HydrophobicContact CB-CG 4.1Å; L207-L210 HydrophobicContact CD1-CD2 4.02Å; L207-L224 HydrophobicContact CD1-CD2 3.75Å; L207-N227 HydrophobicContact CB-CB 4.19Å; L207-N227 WeakPolarHBondContact CB-OD1 3.32Å; L207-N227 VanDerWaalsContact CG-OD1 3.24Å; L207-N227 WeakPolarHBondContact CG-OD1 3.42Å; L207-N227 PolarHBondContact N-OD1 3.47Å; L207-R228 CarbonylContact O-C 3.37Å; L207-R228 VanDerWaalsContact O-CA 3.27Å; L207-R228 WeakPolarHBondContact O-CA 3.39Å; L207-R228 WeakPolarHBondContact O-CB 3.11Å; L207-R228 PolarHBondContact O-N 3.01Å; L207-L229 HydrophobicContact CB-CD2 4.32Å; L207-L229 PolarHBondContact O-N 2.87Å
208	R	97	Very high	97.3	Very high	169 Å²	169	44.5 Å²	44.5	64%	0.638	21%	0.209	S	C	*	.	S	Bend	trans	-104	-20.7	170.3	-69.6	179.4	175.2	165.5	-1.1	112.6	S186 L206 R228	S186-R208 PolarHBondContact O-N 3.21Å; L206-R208 PolarHBondContact O-N 3.47Å; R208-R228 HydrophobicContact CG-CB 3.98Å
209	R	95.5	Very high	97.3	Very high	115 Å²	115	39.9 Å²	39.9	43%	0.434	19%	0.189	S	C	.	.			trans	-141.8	158	179.5	61.7	-171.7	-178.5	168.4	-3.5	109.2	E211	R209-E211 VanDerWaalsContact CD-CD 3.47Å; R209-E211 WeakPolarHBondContact CD-OE1 3.46Å; R209-E211 HydrophobicContact CG-CG 4.28Å; R209-E211 IonicContact CZ-OE1 2.96Å; R209-E211 IonicContact CZ-OE2 3Å; R209-E211 IonicContact NE-OE1 2.91Å; R209-E211 IonicContact NE-OE2 2.65Å; R209-E211 PolarHBondContact NE-OE2 3.04Å; R209-E211 IonicContact NH1-OE1 2.76Å; R209-E211 PolarHBondContact NH1-OE1 3.12Å; R209-E211 IonicContact NH1-OE2 2.95Å; R209-E211 PolarHBondContact NH1-OE2 2.95Å; R209-E211 IonicContact NH2-OE2 2.76Å
210	L	97.1	Very high	97.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	19%	0.194	C	C	.	.			trans	-117.6	31.3	179.1	-52.1	172.6	0	0	0	111.2	L188 L207 G212 I213 L224 L229 D234 F235	L188-L210 HydrophobicContact CD1-CB 4.44Å; L188-L210 HydrophobicContact CD1-CD2 3.83Å; L188-L210 HydrophobicContact CG-CD2 4.46Å; L207-L210 HydrophobicContact CD1-CD2 4.02Å; L210-G212 PolarHBondContact O-N 2.92Å; L210-I213 HydrophobicContact CB-CD1 3.76Å; L210-I213 HydrophobicContact CB-CG1 4.18Å; L210-I213 HydrophobicContact CB-CG2 4.31Å; L210-I213 HydrophobicContact CD1-CD1 3.96Å; L210-I213 VanDerWaalsContact O-CG1 3.31Å; L210-I213 WeakPolarHBondContact O-CG1 3.44Å; L210-I213 WeakPolarHBondContact O-CG2 3.43Å; L210-I213 PolarHBondContact O-N 2.96Å; L210-L224 HydrophobicContact CD1-CD1 3.61Å; L210-L224 HydrophobicContact CD2-CD1 4.05Å; L210-L224 HydrophobicContact CD2-CD2 3.57Å; L210-L224 HydrophobicContact CD2-CG 4.46Å; L210-L224 HydrophobicContact CG-CD1 4.49Å; L210-L229 HydrophobicContact CD1-CD1 4.16Å; L210-L229 HydrophobicContact CD1-CD2 4.49Å; L210-L229 HydrophobicContact CD2-CD1 4.02Å; L210-L229 HydrophobicContact CD2-CD2 3.88Å; L210-L229 HydrophobicContact CG-CD1 4.27Å; L210-L229 HydrophobicContact CG-CD2 3.86Å; L210-D234 WeakPolarHBondContact CA-OD2 3.39Å; L210-D234 HydrophobicContact CB-CB 3.84Å; L210-D234 PolarHBondContact N-OD2 3.01Å; L210-F235 HydrophobicContact CD1-CD2 4.49Å; L210-F235 HydrophobicContact CD1-CE2 3.58Å; L210-F235 HydrophobicContact CD1-CZ 3.61Å
211	E	95.6	Very high	97.3	Very high	70 Å²	70	44.7 Å²	44.7	33%	0.327	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	143.2	171.5	-68.1	173.9	-177.7	0	0	110.2	L188 S189 R209	L188-E211 CarbonylContact C-O 3.54Å; L188-E211 WeakPolarHBondContact CA-O 3.29Å; L188-E211 VanDerWaalsContact CB-O 3.28Å; L188-E211 WeakPolarHBondContact CB-O 3.27Å; L188-E211 PolarHBondContact N-O 3.08Å; S189-E211 PolarHBondContact N-O 3.07Å; R209-E211 VanDerWaalsContact CD-CD 3.47Å; R209-E211 WeakPolarHBondContact CD-OE1 3.46Å; R209-E211 HydrophobicContact CG-CG 4.28Å; R209-E211 IonicContact CZ-OE1 2.96Å; R209-E211 IonicContact CZ-OE2 3Å; R209-E211 IonicContact NE-OE1 2.91Å; R209-E211 IonicContact NE-OE2 2.65Å; R209-E211 PolarHBondContact NE-OE2 3.04Å; R209-E211 IonicContact NH1-OE1 2.76Å; R209-E211 PolarHBondContact NH1-OE1 3.12Å; R209-E211 IonicContact NH1-OE2 2.95Å; R209-E211 PolarHBondContact NH1-OE2 2.95Å; R209-E211 IonicContact NH2-OE2 2.76Å
212	G	94.6	Very high	97.3	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	-20.3	-175.6	0	0	0	0	0	115.4	D192 L210	D192-G212 WeakPolarHBondContact OD1-CA 3.48Å; L210-G212 PolarHBondContact O-N 2.92Å
213	I	97.1	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-79.9	-21.7	179.5	75.5	174	0	0	0	113.7	L188 I191 L210 S215 L216 L222 D234 F235 L239	L188-I213 HydrophobicContact CB-CG2 4.22Å; L188-I213 HydrophobicContact CD1-CG2 3.45Å; L188-I213 VanDerWaalsContact CD1-CG2 3.45Å; L188-I213 HydrophobicContact CG-CG2 4.49Å; I191-I213 HydrophobicContact CD1-CG2 4.32Å; L210-I213 HydrophobicContact CB-CD1 3.76Å; L210-I213 HydrophobicContact CB-CG1 4.18Å; L210-I213 HydrophobicContact CB-CG2 4.31Å; L210-I213 HydrophobicContact CD1-CD1 3.96Å; L210-I213 VanDerWaalsContact O-CG1 3.31Å; L210-I213 WeakPolarHBondContact O-CG1 3.44Å; L210-I213 WeakPolarHBondContact O-CG2 3.43Å; L210-I213 PolarHBondContact O-N 2.96Å; I213-S215 PolarHBondContact O-N 3.23Å; I213-L216 HydrophobicContact CB-CD1 4.32Å; I213-L216 HydrophobicContact CG2-CD1 4.48Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 WeakPolarHBondContact O-CG 3.48Å; I213-L216 PolarHBondContact O-N 3.44Å; I213-L222 HydrophobicContact CD1-CD2 4.07Å; I213-D234 HydrophobicContact CG1-CB 4.45Å; I213-F235 HydrophobicContact CD1-CD1 4.29Å; I213-F235 HydrophobicContact CD1-CE1 4.12Å; I213-F235 HydrophobicContact CD1-CZ 4.5Å; I213-L239 HydrophobicContact CD1-CD1 4.1Å; I213-L239 HydrophobicContact CG1-CD1 4.32Å; I213-L239 VanDerWaalsContact O-CD2 3.29Å; I213-L239 WeakPolarHBondContact O-CD2 3.38Å
214	S	94.9	Very high	97.3	Very high	48 Å²	48	42 Å²	42	34%	0.336	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63.4	-20.9	-167.1	52.6	0	0	0	0	114.6	N238	S214-N238 WeakPolarHBondContact O-CB 3.48Å
215	S	94.1	Very high	97.3	Very high	39 Å²	39	42.3 Å²	42.3	27%	0.273	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-90.2	-10.9	178.1	49	0	0	0	0	113.6	D192 I213 K217	D192-S215 WeakPolarHBondContact CA-OG 2.88Å; D192-S215 WeakPolarHBondContact O-CB 3.41Å; D192-S215 PolarHBondContact O-OG 2.92Å; I213-S215 PolarHBondContact O-N 3.23Å; S215-K217 VanDerWaalsContact C-N 3.29Å; S215-K217 PolarHBondContact O-N 3.24Å
216	L	96.7	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.			trans	-79.9	67.8	-171.1	-54.7	-175.5	0	0	0	112.7	I191 M194 L197 I213 S218 L219 L239	I191-L216 HydrophobicContact CD1-CD1 3.79Å; I191-L216 HydrophobicContact CG1-CD1 4.1Å; I191-L216 WeakPolarHBondContact O-CD2 3.43Å; M194-L216 HydrophobicContact CB-CD2 4.21Å; M194-L216 WeakPolarHBondContact O-CD2 3.32Å; L197-L216 HydrophobicContact CD2-CD1 4.26Å; I213-L216 HydrophobicContact CB-CD1 4.32Å; I213-L216 HydrophobicContact CG2-CD1 4.48Å; I213-L216 WeakPolarHBondContact O-CB 3.43Å; I213-L216 WeakPolarHBondContact O-CG 3.48Å; I213-L216 PolarHBondContact O-N 3.44Å; L216-S218 PolarHBondContact O-N 3.16Å; L216-S218 VanDerWaalsContact O-N 3.11Å; L216-L219 HydrophobicContact CB-CB 3.95Å; L216-L219 HydrophobicContact CD1-CD2 4.32Å; L216-L219 VanDerWaalsContact O-CB 3.24Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 3.29Å; L216-L239 HydrophobicContact CB-CD2 4.37Å
217	K	96.9	Very high	97.3	Very high	122 Å²	122	42.5 Å²	42.5	53%	0.53	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.2	-175.3	-59.6	-174.8	180	176.3	0	114	S215 S241	S215-K217 VanDerWaalsContact C-N 3.29Å; S215-K217 PolarHBondContact O-N 3.24Å; K217-S241 WeakPolarHBondContact O-CB 3.34Å; K217-S241 PolarHBondContact O-OG 2.91Å
218	S	97.6	Very high	97.3	Very high	38 Å²	38	47.5 Å²	47.5	27%	0.266	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	179.5	-56.4	0	0	0	0	113.8	I195 L197 L216 V220	I195-S218 WeakPolarHBondContact O-CB 3.37Å; I195-S218 PolarHBondContact O-OG 2.76Å; L197-S218 CarbonylContact O-C 3.3Å; L216-S218 PolarHBondContact O-N 3.16Å; L216-S218 VanDerWaalsContact O-N 3.11Å; S218-V220 WeakPolarHBondContact O-CG2 3.11Å; S218-V220 PolarHBondContact O-N 2.75Å
219	L	98.5	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.			trans	-66.8	123.1	-175.9	-167.2	70.5	0	0	0	110.2	L197 L200 L216 L222 L239 S241 L242	L197-L219 HydrophobicContact CD2-CD1 4.39Å; L197-L219 HydrophobicContact CG-CD1 4.37Å; L197-L219 VanDerWaalsContact O-CA 3.31Å; L197-L219 WeakPolarHBondContact O-CA 3.16Å; L197-L219 PolarHBondContact O-N 3.3Å; L197-L219 VanDerWaalsContact O-N 3.16Å; L200-L219 HydrophobicContact CB-CD1 3.86Å; L216-L219 HydrophobicContact CB-CB 3.95Å; L216-L219 HydrophobicContact CD1-CD2 4.32Å; L216-L219 VanDerWaalsContact O-CB 3.24Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 3.29Å; L219-L222 HydrophobicContact CD2-CB 4.27Å; L219-L222 HydrophobicContact CD2-CD1 4.43Å; L219-L222 HydrophobicContact CD2-CD2 4.33Å; L219-L239 HydrophobicContact CB-CD2 4.46Å; L219-L239 HydrophobicContact CD2-CD2 4.38Å; L219-S241 CarbonylContact O-C 3.38Å; L219-L242 HydrophobicContact CD2-CD1 4.17Å; L219-L242 HydrophobicContact CG-CD1 4.12Å; L219-L242 WeakPolarHBondContact O-CA 3.41Å; L219-L242 PolarHBondContact O-N 3.26Å
220	V	98.8	Very high	97.5	Very high	32 Å²	32	36.5 Å²	36.5	19%	0.194	18%	0.183	C	C	.	.			trans	-107	-38.9	-177.8	-178.5	0	0	0	0	111.6	K198 S218 S241 E243 Y244	K198-V220 WeakPolarHBondContact O-CA 3.28Å; K198-V220 PolarHBondContact O-N 3.23Å; S218-V220 WeakPolarHBondContact O-CG2 3.11Å; S218-V220 PolarHBondContact O-N 2.75Å; V220-S241 WeakPolarHBondContact CA-O 3.39Å; V220-E243 HydrophobicContact CG1-CB 4.32Å; V220-E243 HydrophobicContact CG1-CG 4.14Å; V220-E243 PolarHBondContact O-N 3.24Å; V220-Y244 PolarHBondContact O-N 3.42Å; V220-Y244 VanDerWaalsContact O-N 3.13Å
221	R	98.8	Very high	97.4	Very high	82 Å²	82	41.9 Å²	41.9	31%	0.309	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128	-176	-59.4	-172.8	179.7	80.2	1.8	111	K198 T199 L200 Y244	K198-R221 PolarHBondContact O-N 2.67Å; K198-R221 VanDerWaalsContact O-N 3.11Å; T199-R221 WeakPolarHBondContact CA-O 3.41Å; T199-R221 HydrophobicContact CG2-CB 4.06Å; L200-R221 PolarHBondContact N-O 2.9Å; R221-Y244 HydrophobicContact CB-CD1 4.5Å
222	L	98.8	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.4	179.2	-178.9	55.7	0	0	0	110.5	L200 I213 L219 L224 F235 L242 Y244 I245 N246	L200-L222 HydrophobicContact CB-CD1 4Å; L200-L222 HydrophobicContact CD2-CD1 3.88Å; L200-L222 HydrophobicContact CG-CD1 4.05Å; I213-L222 HydrophobicContact CD1-CD2 4.07Å; L219-L222 HydrophobicContact CD2-CB 4.27Å; L219-L222 HydrophobicContact CD2-CD1 4.43Å; L219-L222 HydrophobicContact CD2-CD2 4.33Å; L222-L224 HydrophobicContact CD1-CD1 4.36Å; L222-L224 HydrophobicContact CD1-CD2 4.07Å; L222-L224 HydrophobicContact CD1-CG 4.05Å; L222-L224 HydrophobicContact CD2-CD1 3.76Å; L222-L224 HydrophobicContact CD2-CG 4.35Å; L222-L224 HydrophobicContact CG-CD1 3.76Å; L222-L224 HydrophobicContact CG-CD2 4.37Å; L222-L224 HydrophobicContact CG-CG 3.84Å; L222-F235 HydrophobicContact CD2-CE1 3.94Å; L222-F235 HydrophobicContact CD2-CZ 4.15Å; L222-L242 HydrophobicContact CB-CD1 3.92Å; L222-Y244 PolarHBondContact N-O 3.04Å; L222-I245 WeakPolarHBondContact O-CA 3.45Å; L222-N246 PolarHBondContact O-N 2.81Å
223	H	98.8	Very high	97.5	Very high	28 Å²	28	41.7 Å²	41.7	13%	0.13	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.6	178.2	-66.5	-107.6	0	0	0	110.5	L200 Y201 C202 A203 Y244	L200-H223 PolarHBondContact O-N 2.87Å; Y201-H223 HydrophobicContact CD1-CB 3.74Å; Y201-H223 AromaticContact CD1-CD2 3.52Å; Y201-H223 AromaticContact CD1-CG 3.51Å; Y201-H223 HydrophobicContact CE1-CB 4.39Å; Y201-H223 AromaticContact CE1-CD2 3.34Å; Y201-H223 WeakPolarHBondContact CE1-CD2 3.23Å; Y201-H223 AromaticContact CE1-CE1 3.74Å; Y201-H223 AromaticContact CE1-CG 3.67Å; Y201-H223 AromaticContact CE1-ND1 3.89Å; Y201-H223 AromaticContact CE1-NE2 3.43Å; Y201-H223 WeakPolarHBondContact CE1-NE2 3.35Å; Y201-H223 HydrophobicContact CG-CB 4.38Å; Y201-H223 AromaticContact CZ-NE2 3.99Å; C202-H223 CarbonylContact C-O 3.44Å; C202-H223 PolarHBondContact N-O 3.16Å; A203-H223 PolarHBondContact N-O 3.43Å; H223-Y244 AromaticContact CE1-CE1 3.46Å; H223-Y244 VanDerWaalsContact CE1-CE1 3.46Å; H223-Y244 WeakPolarHBondContact CE1-CE1 3.14Å; H223-Y244 AromaticContact ND1-CE1 3.9Å; H223-Y244 AromaticContact NE2-CE1 3.67Å
224	L	98.8	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.			trans	-126.7	22.9	-174.2	-64.5	165.8	0	0	0	111.9	C202 L207 L210 L222 N227 L229 F235 N246 L247 N250	C202-L224 HydrophobicContact CB-CD2 4.34Å; L207-L224 HydrophobicContact CD1-CD2 3.75Å; L210-L224 HydrophobicContact CD1-CD1 3.61Å; L210-L224 HydrophobicContact CD2-CD1 4.05Å; L210-L224 HydrophobicContact CD2-CD2 3.57Å; L210-L224 HydrophobicContact CD2-CG 4.46Å; L210-L224 HydrophobicContact CG-CD1 4.49Å; L222-L224 HydrophobicContact CD1-CD1 4.36Å; L222-L224 HydrophobicContact CD1-CD2 4.07Å; L222-L224 HydrophobicContact CD1-CG 4.05Å; L222-L224 HydrophobicContact CD2-CD1 3.76Å; L222-L224 HydrophobicContact CD2-CG 4.35Å; L222-L224 HydrophobicContact CG-CD1 3.76Å; L222-L224 HydrophobicContact CG-CD2 4.37Å; L222-L224 HydrophobicContact CG-CG 3.84Å; L224-N227 PolarHBondContact O-ND2 3Å; L224-N227 VanDerWaalsContact O-ND2 3.08Å; L224-L229 HydrophobicContact CB-CD1 4.2Å; L224-L229 HydrophobicContact CD1-CD1 3.94Å; L224-L229 HydrophobicContact CG-CD1 4.46Å; L224-F235 HydrophobicContact CD1-CZ 4.31Å; L224-N246 CarbonylContact C-O 3.51Å; L224-N246 VanDerWaalsContact CA-O 3.32Å; L224-N246 WeakPolarHBondContact CA-O 3.23Å; L224-N246 WeakPolarHBondContact CB-O 3.34Å; L224-N246 PolarHBondContact N-O 3.44Å; L224-L247 HydrophobicContact CB-CD2 4.12Å; L224-L247 HydrophobicContact CD1-CD2 3.69Å; L224-N250 PolarHBondContact O-ND2 2.79Å
225	R	98.6	Very high	97.6	Very high	70 Å²	70	41.3 Å²	41.3	26%	0.264	20%	0.203	S	C	.	.			trans	-55.3	142.1	-177.9	-169	-169.7	69.9	-179.3	-8.8	110.8	A203 E204 N227 N246 R248	A203-R225 CarbonylContact C-O 3.45Å; A203-R225 WeakPolarHBondContact CA-O 3.46Å; A203-R225 HydrophobicContact CB-CB 3.84Å; A203-R225 WeakPolarHBondContact CB-O 3.24Å; E204-R225 PolarHBondContact N-O 3.32Å; E204-R225 IonicContact OE1-CZ 2.79Å; E204-R225 IonicContact OE1-NH2 2.96Å; E204-R225 PolarHBondContact OE1-NH2 3Å; R225-N227 PolarHBondContact O-ND2 3.13Å; R225-N246 PolarHBondContact N-O 3.08Å; R225-R248 CarbonylContact C-O 3.55Å; R225-R248 WeakPolarHBondContact CA-O 3.43Å; R225-R248 HydrophobicContact CG-CB 3.97Å; R225-R248 HydrophobicContact CG-CG 4.02Å
226	D	98.7	Very high	97.7	Very high	64 Å²	64	41.4 Å²	41.4	34%	0.342	20%	0.202	S	C	.	.	S	Bend	trans	56.4	61	172.4	-52.1	-38.8	0	0	0	112.3	E204 N205 R248 G249	E204-D226 VanDerWaalsContact CA-O 3.25Å; E204-D226 WeakPolarHBondContact CA-O 3.43Å; E204-D226 HydrophobicContact CG-CB 3.93Å; E204-D226 PolarHBondContact N-O 2.88Å; N205-D226 PolarHBondContact N-O 3.49Å; D226-R248 PolarHBondContact N-O 3.47Å; D226-G249 WeakPolarHBondContact CA-O 3.5Å; D226-G249 PolarHBondContact N-O 2.82Å
227	N	98.8	Very high	97.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.053	23%	0.234	C	C	.	.			trans	-126.3	-165.5	174.8	-86.8	-78.9	0	0	0	109.8	C202 N205 L207 L224 R225 L229 G249 N250	C202-N227 PolarHBondContact O-ND2 3.09Å; N205-N227 WeakPolarHBondContact CA-OD1 3.46Å; N205-N227 WeakPolarHBondContact CB-OD1 3.34Å; N205-N227 PolarHBondContact N-OD1 3.27Å; N205-N227 PolarHBondContact O-OD1 2.87Å; L207-N227 HydrophobicContact CB-CB 4.19Å; L207-N227 WeakPolarHBondContact CB-OD1 3.32Å; L207-N227 VanDerWaalsContact CG-OD1 3.24Å; L207-N227 WeakPolarHBondContact CG-OD1 3.42Å; L207-N227 PolarHBondContact N-OD1 3.47Å; L224-N227 PolarHBondContact O-ND2 3Å; L224-N227 VanDerWaalsContact O-ND2 3.08Å; R225-N227 PolarHBondContact O-ND2 3.13Å; N227-L229 HydrophobicContact CB-CG 4.46Å; N227-G249 PolarHBondContact N-O 3.34Å; N227-N250 WeakPolarHBondContact CA-OD1 3.12Å; N227-N250 WeakPolarHBondContact CB-OD1 3.43Å; N227-N250 PolarHBondContact O-OD1 3.26Å
228	R	98.1	Very high	97.7	Very high	105 Å²	105	45.9 Å²	45.9	40%	0.396	23%	0.227	S	C	.	.			trans	-119.8	27.2	-176	-58.4	178.3	176.8	-179.9	-5.2	112.3	L207 R208 S230 N250	L207-R228 CarbonylContact O-C 3.37Å; L207-R228 VanDerWaalsContact O-CA 3.27Å; L207-R228 WeakPolarHBondContact O-CA 3.39Å; L207-R228 WeakPolarHBondContact O-CB 3.11Å; L207-R228 PolarHBondContact O-N 3.01Å; R208-R228 HydrophobicContact CG-CB 3.98Å; R228-S230 PolarHBondContact O-N 3.33Å; R228-N250 PolarHBondContact N-OD1 2.97Å
229	L	98.3	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.			trans	-73.2	121.8	-177.4	-59.4	167.2	0	0	0	110.3	L207 L210 L224 N227 L247 N250 Q251 I252	L207-L229 HydrophobicContact CB-CD2 4.32Å; L207-L229 PolarHBondContact O-N 2.87Å; L210-L229 HydrophobicContact CD1-CD1 4.16Å; L210-L229 HydrophobicContact CD1-CD2 4.49Å; L210-L229 HydrophobicContact CD2-CD1 4.02Å; L210-L229 HydrophobicContact CD2-CD2 3.88Å; L210-L229 HydrophobicContact CG-CD1 4.27Å; L210-L229 HydrophobicContact CG-CD2 3.86Å; L224-L229 HydrophobicContact CB-CD1 4.2Å; L224-L229 HydrophobicContact CD1-CD1 3.94Å; L224-L229 HydrophobicContact CG-CD1 4.46Å; N227-L229 HydrophobicContact CB-CG 4.46Å; L229-L247 HydrophobicContact CD1-CD2 3.56Å; L229-N250 HydrophobicContact CB-CB 4.27Å; L229-N250 VanDerWaalsContact CB-OD1 3.27Å; L229-N250 WeakPolarHBondContact CB-OD1 3.34Å; L229-N250 WeakPolarHBondContact CG-OD1 3.31Å; L229-N250 PolarHBondContact N-OD1 3.13Å; L229-Q251 CarbonylContact O-C 3.47Å; L229-Q251 VanDerWaalsContact O-C 3.3Å; L229-Q251 WeakPolarHBondContact O-CA 3.42Å; L229-Q251 PolarHBondContact O-N 2.94Å; L229-I252 PolarHBondContact O-N 2.87Å
230	S	97	Very high	97.7	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	23%	0.233	S	C	.	.			trans	-114.1	-19.3	169.2	59.6	0	0	0	0	112.8	R228	R228-S230 PolarHBondContact O-N 3.33Å
231	K	96.3	Very high	97.6	Very high	115 Å²	115	47.8 Å²	47.8	50%	0.5	24%	0.239	S	C	.	.			trans	-116.4	146.7	176.6	-63	-175.6	178.8	-175.6	0	110.5	T233 E257	K231-T233 HydrophobicContact CB-CG2 4.4Å; K231-E257 WeakPolarHBondContact CA-OE2 3.41Å
232	L	97	Very high	97.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.225	C	C	.	.			trans	-117.9	35.8	-180	-59.1	-179.4	0	0	0	111.3	F235 L247 I252 E257 R260 L261	L232-F235 HydrophobicContact CB-CD2 3.93Å; L232-F235 HydrophobicContact CB-CE2 4.3Å; L232-F235 HydrophobicContact CD2-CD2 4.33Å; L232-F235 HydrophobicContact CD2-CE2 3.83Å; L232-L247 HydrophobicContact CD1-CD1 4.31Å; L232-L247 HydrophobicContact CD2-CD1 3.97Å; L232-L247 HydrophobicContact CD2-CD2 4.11Å; L232-I252 HydrophobicContact CD1-CD1 4.14Å; L232-I252 HydrophobicContact CD2-CD1 3.89Å; L232-I252 HydrophobicContact CD2-CG1 4.29Å; L232-I252 HydrophobicContact CG-CD1 4.36Å; L232-E257 HydrophobicContact CG-CB 4.42Å; L232-E257 PolarHBondContact N-OE2 3.29Å; L232-R260 WeakPolarHBondContact O-CD 3.17Å; L232-L261 HydrophobicContact CD1-CD1 4.04Å; L232-L261 HydrophobicContact CD1-CD2 4.19Å; L232-L261 HydrophobicContact CD1-CG 4.02Å
233	T	94.6	Very high	97.6	Very high	69 Å²	69	46.8 Å²	46.8	42%	0.423	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.4	-172.2	43.4	0	0	0	0	114.4	K231 F235	K231-T233 HydrophobicContact CB-CG2 4.4Å; T233-F235 VanDerWaalsContact C-N 3.28Å; T233-F235 PolarHBondContact O-N 3.37Å
234	D	96.2	Very high	97.6	Very high	30 Å²	30	48.4 Å²	48.4	16%	0.16	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.9	-175.5	-56	-59.5	0	0	0	113.5	L210 I213 T236	L210-D234 WeakPolarHBondContact CA-OD2 3.39Å; L210-D234 HydrophobicContact CB-CB 3.84Å; L210-D234 PolarHBondContact N-OD2 3.01Å; I213-D234 HydrophobicContact CG1-CB 4.45Å; D234-T236 PolarHBondContact O-N 2.87Å
235	F	97.8	Very high	97.6	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.039	24%	0.244	C	C	.	.			trans	-74.6	115.2	171.2	-68.2	-78.2	0	0	0	109.6	L210 I213 L222 L224 L232 T233 L239 L242 I245 L261 L264	L210-F235 HydrophobicContact CD1-CD2 4.49Å; L210-F235 HydrophobicContact CD1-CE2 3.58Å; L210-F235 HydrophobicContact CD1-CZ 3.61Å; I213-F235 HydrophobicContact CD1-CD1 4.29Å; I213-F235 HydrophobicContact CD1-CE1 4.12Å; I213-F235 HydrophobicContact CD1-CZ 4.5Å; L222-F235 HydrophobicContact CD2-CE1 3.94Å; L222-F235 HydrophobicContact CD2-CZ 4.15Å; L224-F235 HydrophobicContact CD1-CZ 4.31Å; L232-F235 HydrophobicContact CB-CD2 3.93Å; L232-F235 HydrophobicContact CB-CE2 4.3Å; L232-F235 HydrophobicContact CD2-CD2 4.33Å; L232-F235 HydrophobicContact CD2-CE2 3.83Å; T233-F235 VanDerWaalsContact C-N 3.28Å; T233-F235 PolarHBondContact O-N 3.37Å; F235-L239 HydrophobicContact CD1-CD1 3.9Å; F235-L242 HydrophobicContact CD1-CD2 4.17Å; F235-L242 HydrophobicContact CE1-CD2 3.98Å; F235-I245 HydrophobicContact CD1-CD1 4.11Å; F235-I245 HydrophobicContact CE1-CD1 3.58Å; F235-I245 HydrophobicContact CE1-CG1 4.35Å; F235-I245 HydrophobicContact CZ-CD1 4.15Å; F235-I245 HydrophobicContact CZ-CG2 4.38Å; F235-L261 HydrophobicContact CB-CD2 3.98Å; F235-L261 HydrophobicContact CD1-CD2 4Å; F235-L261 HydrophobicContact CD2-CD2 3.48Å; F235-L261 VanDerWaalsContact CD2-CD2 3.48Å; F235-L261 HydrophobicContact CE1-CD2 4.36Å; F235-L261 HydrophobicContact CE2-CD2 3.9Å; F235-L261 HydrophobicContact CG-CD2 3.52Å; F235-L261 HydrophobicContact CZ-CD2 4.31Å; F235-L264 HydrophobicContact CB-CD1 4.43Å; F235-L264 HydrophobicContact CB-CD2 4.43Å; F235-L264 HydrophobicContact CD1-CD1 3.86Å; F235-L264 HydrophobicContact CD1-CD2 4.44Å; F235-L264 HydrophobicContact CG-CD1 4.4Å
236	T	96.6	Very high	97.6	Very high	41 Å²	41	45.6 Å²	45.6	25%	0.252	23%	0.233	S	C	.	.			trans	-121.9	164.1	-179.8	68.1	0	0	0	0	110.9	D234 N238 L239 L264	D234-T236 PolarHBondContact O-N 2.87Å; T236-N238 PolarHBondContact O-N 3.31Å; T236-N238 VanDerWaalsContact O-N 3.09Å; T236-L239 PolarHBondContact O-N 3.22Å; T236-L264 WeakPolarHBondContact O-CD2 3.1Å
237	E	97	Very high	97.6	Very high	144 Å²	144	42.5 Å²	42.5	67%	0.673	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.5	176.2	61.6	-173.5	-149.1	0	0	114.3	L239	E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.33Å
238	N	96.5	Very high	97.6	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22	177.2	-70.6	-29.5	0	0	0	113.6	S214 T236 T240	S214-N238 WeakPolarHBondContact O-CB 3.48Å; T236-N238 PolarHBondContact O-N 3.31Å; T236-N238 VanDerWaalsContact O-N 3.09Å; N238-T240 PolarHBondContact O-N 2.88Å
239	L	97.8	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.			trans	-75.4	59.1	177	-70.8	167.6	0	0	0	110.5	I213 L216 L219 F235 T236 E237 S241 L242 L264	I213-L239 HydrophobicContact CD1-CD1 4.1Å; I213-L239 HydrophobicContact CG1-CD1 4.32Å; I213-L239 VanDerWaalsContact O-CD2 3.29Å; I213-L239 WeakPolarHBondContact O-CD2 3.38Å; L216-L239 HydrophobicContact CB-CD2 4.37Å; L219-L239 HydrophobicContact CB-CD2 4.46Å; L219-L239 HydrophobicContact CD2-CD2 4.38Å; F235-L239 HydrophobicContact CD1-CD1 3.9Å; T236-L239 PolarHBondContact O-N 3.22Å; E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.33Å; L239-S241 VanDerWaalsContact C-N 3.26Å; L239-S241 PolarHBondContact O-N 3.29Å; L239-L242 HydrophobicContact CB-CB 4.05Å; L239-L242 HydrophobicContact CB-CD2 4.26Å; L239-L242 HydrophobicContact CD1-CD2 3.95Å; L239-L242 PolarHBondContact O-N 2.96Å; L239-L264 HydrophobicContact CB-CD2 3.68Å; L239-L264 HydrophobicContact CD1-CD2 4.05Å; L239-L264 HydrophobicContact CG-CD2 4.49Å
240	T	97.7	Very high	97.7	Very high	64 Å²	64	41.8 Å²	41.8	39%	0.393	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.9	-167.6	50.1	0	0	0	0	113.7	N238 S266	N238-T240 PolarHBondContact O-N 2.88Å; T240-S266 VanDerWaalsContact O-CB 3.31Å; T240-S266 WeakPolarHBondContact O-CB 3.21Å; T240-S266 PolarHBondContact O-OG 3.09Å
241	S	98.4	Very high	97.7	Very high	47 Å²	47	44.2 Å²	44.2	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.2	-179	-64.7	0	0	0	0	113.7	K217 L219 V220 L239 E243	K217-S241 WeakPolarHBondContact O-CB 3.34Å; K217-S241 PolarHBondContact O-OG 2.91Å; L219-S241 CarbonylContact O-C 3.38Å; V220-S241 WeakPolarHBondContact CA-O 3.39Å; L239-S241 VanDerWaalsContact C-N 3.26Å; L239-S241 PolarHBondContact O-N 3.29Å; S241-E243 WeakPolarHBondContact O-CG 3.29Å; S241-E243 PolarHBondContact O-N 2.91Å; S241-E243 VanDerWaalsContact O-N 3.14Å
242	L	98.7	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.			trans	-72.6	110.8	-172.8	-172.6	62	0	0	0	110.8	L219 L222 F235 L239 I245 L264 S266 L267	L219-L242 HydrophobicContact CD2-CD1 4.17Å; L219-L242 HydrophobicContact CG-CD1 4.12Å; L219-L242 WeakPolarHBondContact O-CA 3.41Å; L219-L242 PolarHBondContact O-N 3.26Å; L222-L242 HydrophobicContact CB-CD1 3.92Å; F235-L242 HydrophobicContact CD1-CD2 4.17Å; F235-L242 HydrophobicContact CE1-CD2 3.98Å; L239-L242 HydrophobicContact CB-CB 4.05Å; L239-L242 HydrophobicContact CB-CD2 4.26Å; L239-L242 HydrophobicContact CD1-CD2 3.95Å; L239-L242 PolarHBondContact O-N 2.96Å; L242-I245 HydrophobicContact CD1-CG1 4.41Å; L242-I245 HydrophobicContact CD2-CD1 3.76Å; L242-I245 HydrophobicContact CD2-CG1 3.89Å; L242-I245 HydrophobicContact CG-CD1 4.28Å; L242-I245 HydrophobicContact CG-CG1 4.05Å; L242-L264 HydrophobicContact CD2-CD1 4.26Å; L242-S266 CarbonylContact O-C 3.14Å; L242-S266 VanDerWaalsContact O-C 3.3Å; L242-L267 WeakPolarHBondContact O-CA 3.33Å; L242-L267 PolarHBondContact O-N 3.41Å
243	E	98.8	Very high	97.8	Very high	61 Å²	61	41 Å²	41	29%	0.285	22%	0.217	S	C	.	.			trans	-106.5	-29	-174.9	-57.8	-160	165.7	0	0	113.7	V220 S241 S266 K268 F269	V220-E243 HydrophobicContact CG1-CB 4.32Å; V220-E243 HydrophobicContact CG1-CG 4.14Å; V220-E243 PolarHBondContact O-N 3.24Å; S241-E243 WeakPolarHBondContact O-CG 3.29Å; S241-E243 PolarHBondContact O-N 2.91Å; S241-E243 VanDerWaalsContact O-N 3.14Å; E243-S266 WeakPolarHBondContact CA-O 3.2Å; E243-K268 PolarHBondContact O-N 2.8Å; E243-K268 IonicContact OE1-NZ 2.87Å; E243-K268 PolarHBondContact OE1-NZ 3Å; E243-K268 IonicContact OE2-NZ 3.92Å; E243-K268 PolarHBondContact OE2-NZ 3.25Å; E243-F269 PolarHBondContact O-N 3.24Å
244	Y	98.8	Very high	97.9	Very high	62 Å²	62	39.6 Å²	39.6	24%	0.243	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.5	-173.1	179.3	-79.2	0	0	0	110.9	V220 R221 L222 H223 N246 F269	V220-Y244 PolarHBondContact O-N 3.42Å; V220-Y244 VanDerWaalsContact O-N 3.13Å; R221-Y244 HydrophobicContact CB-CD1 4.5Å; L222-Y244 PolarHBondContact N-O 3.04Å; H223-Y244 AromaticContact CE1-CE1 3.46Å; H223-Y244 VanDerWaalsContact CE1-CE1 3.46Å; H223-Y244 WeakPolarHBondContact CE1-CE1 3.14Å; H223-Y244 AromaticContact ND1-CE1 3.9Å; H223-Y244 AromaticContact NE2-CE1 3.67Å; Y244-N246 HydrophobicContact CE1-CB 3.66Å; Y244-F269 WeakPolarHBondContact CA-O 3.32Å; Y244-F269 HydrophobicContact CD2-CB 3.51Å; Y244-F269 HydrophobicContact CD2-CD2 4.27Å; Y244-F269 HydrophobicContact CD2-CG 4.1Å; Y244-F269 HydrophobicContact CE2-CB 4.2Å; Y244-F269 HydrophobicContact CG-CB 4.23Å
245	I	98.8	Very high	98	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.9	174.2	-61.1	172.7	0	0	0	109.2	L222 F235 L242 L247 L261 L264 L267 F269 L270 S271	L222-I245 WeakPolarHBondContact O-CA 3.45Å; F235-I245 HydrophobicContact CD1-CD1 4.11Å; F235-I245 HydrophobicContact CE1-CD1 3.58Å; F235-I245 HydrophobicContact CE1-CG1 4.35Å; F235-I245 HydrophobicContact CZ-CD1 4.15Å; F235-I245 HydrophobicContact CZ-CG2 4.38Å; L242-I245 HydrophobicContact CD1-CG1 4.41Å; L242-I245 HydrophobicContact CD2-CD1 3.76Å; L242-I245 HydrophobicContact CD2-CG1 3.89Å; L242-I245 HydrophobicContact CG-CD1 4.28Å; L242-I245 HydrophobicContact CG-CG1 4.05Å; I245-L247 HydrophobicContact CG2-CD1 3.66Å; I245-L247 HydrophobicContact CG2-CD2 4.48Å; I245-L247 HydrophobicContact CG2-CG 3.61Å; I245-L261 HydrophobicContact CD1-CD2 4.32Å; I245-L264 HydrophobicContact CD1-CD1 3.6Å; I245-L267 HydrophobicContact CB-CD1 4.28Å; I245-L267 HydrophobicContact CD1-CD1 3.63Å; I245-L267 HydrophobicContact CD1-CD2 4.21Å; I245-L267 HydrophobicContact CG1-CD1 3.76Å; I245-F269 PolarHBondContact N-O 3.02Å; I245-L270 HydrophobicContact CB-CD1 4.14Å; I245-L270 HydrophobicContact CG2-CD1 4.14Å; I245-L270 WeakPolarHBondContact O-CA 3.38Å; I245-S271 PolarHBondContact O-N 2.74Å
246	N	98.8	Very high	97.9	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.5	169.6	-174.6	-0.6	0	0	0	110.6	L222 L224 R225 Y244 R248	L222-N246 PolarHBondContact O-N 2.81Å; L224-N246 CarbonylContact C-O 3.51Å; L224-N246 VanDerWaalsContact CA-O 3.32Å; L224-N246 WeakPolarHBondContact CA-O 3.23Å; L224-N246 WeakPolarHBondContact CB-O 3.34Å; L224-N246 PolarHBondContact N-O 3.44Å; R225-N246 PolarHBondContact N-O 3.08Å; Y244-N246 HydrophobicContact CE1-CB 3.66Å; N246-R248 VanDerWaalsContact OD1-CB 3.25Å; N246-R248 WeakPolarHBondContact OD1-CB 3.25Å; N246-R248 PolarHBondContact OD1-N 3.45Å
247	L	98.8	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.			trans	-104.4	17.3	177.7	-74	159.4	0	0	0	112.1	L224 L229 L232 I245 N250 I252 L261 L270 S271 L272 N275	L224-L247 HydrophobicContact CB-CD2 4.12Å; L224-L247 HydrophobicContact CD1-CD2 3.69Å; L229-L247 HydrophobicContact CD1-CD2 3.56Å; L232-L247 HydrophobicContact CD1-CD1 4.31Å; L232-L247 HydrophobicContact CD2-CD1 3.97Å; L232-L247 HydrophobicContact CD2-CD2 4.11Å; I245-L247 HydrophobicContact CG2-CD1 3.66Å; I245-L247 HydrophobicContact CG2-CD2 4.48Å; I245-L247 HydrophobicContact CG2-CG 3.61Å; L247-N250 WeakPolarHBondContact O-CB 3.31Å; L247-N250 PolarHBondContact O-ND2 3Å; L247-I252 HydrophobicContact CB-CD1 3.96Å; L247-I252 HydrophobicContact CD1-CD1 3.86Å; L247-I252 HydrophobicContact CD2-CD1 4.19Å; L247-I252 HydrophobicContact CG-CD1 4.22Å; L247-L261 HydrophobicContact CD1-CD1 4.44Å; L247-L270 HydrophobicContact CD1-CD1 4.08Å; L247-S271 CarbonylContact C-O 3.42Å; L247-S271 WeakPolarHBondContact CA-O 3.24Å; L247-S271 WeakPolarHBondContact CB-O 3.38Å; L247-S271 PolarHBondContact N-O 3.14Å; L247-L272 HydrophobicContact CB-CD2 4.08Å; L247-L272 HydrophobicContact CD1-CD2 4.1Å; L247-N275 PolarHBondContact O-ND2 3.34Å
248	R	98.7	Very high	98	Very high	73 Å²	73	30.9 Å²	30.9	28%	0.275	16%	0.163	S	C	.	.			trans	-55	143.4	-178	168.2	175.8	-172	143.8	3.4	111.7	R225 D226 N246 N250 V273 D274	R225-R248 CarbonylContact C-O 3.55Å; R225-R248 WeakPolarHBondContact CA-O 3.43Å; R225-R248 HydrophobicContact CG-CB 3.97Å; R225-R248 HydrophobicContact CG-CG 4.02Å; D226-R248 PolarHBondContact N-O 3.47Å; N246-R248 VanDerWaalsContact OD1-CB 3.25Å; N246-R248 WeakPolarHBondContact OD1-CB 3.25Å; N246-R248 PolarHBondContact OD1-N 3.45Å; R248-N250 PolarHBondContact O-ND2 2.94Å; R248-V273 CarbonylContact C-O 3.59Å; R248-V273 WeakPolarHBondContact CA-O 3.37Å; R248-V273 HydrophobicContact CB-CB 4.39Å; R248-V273 HydrophobicContact CG-CB 4.11Å; R248-V273 HydrophobicContact CG-CG1 4.47Å; R248-V273 WeakPolarHBondContact CG-O 3.39Å; R248-D274 HydrophobicContact CG-CB 4.33Å; R248-D274 IonicContact CZ-OD2 3.29Å; R248-D274 IonicContact NE-OD2 2.67Å; R248-D274 PolarHBondContact NE-OD2 2.76Å; R248-D274 IonicContact NH2-OD1 3.95Å; R248-D274 IonicContact NH2-OD2 2.92Å; R248-D274 PolarHBondContact NH2-OD2 3.16Å
249	G	98.5	Very high	98	Very high	18 Å²	18	32.7 Å²	32.7	19%	0.186	17%	0.167	C	C	.	.	S	Bend	trans	66.8	42.9	175.9	0	0	0	0	0	113.2	D226 N227 V273 D274	D226-G249 WeakPolarHBondContact CA-O 3.5Å; D226-G249 PolarHBondContact N-O 2.82Å; N227-G249 PolarHBondContact N-O 3.34Å; G249-V273 PolarHBondContact N-O 2.75Å; G249-D274 VanDerWaalsContact CA-O 3.29Å; G249-D274 WeakPolarHBondContact CA-O 3.23Å; G249-D274 PolarHBondContact N-O 3.31Å
250	N	98.8	Very high	98	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-118.2	-170.4	174	-82.9	-85.7	0	0	0	110	L224 N227 R228 L229 L247 R248 I252 N275	L224-N250 PolarHBondContact O-ND2 2.79Å; N227-N250 WeakPolarHBondContact CA-OD1 3.12Å; N227-N250 WeakPolarHBondContact CB-OD1 3.43Å; N227-N250 PolarHBondContact O-OD1 3.26Å; R228-N250 PolarHBondContact N-OD1 2.97Å; L229-N250 HydrophobicContact CB-CB 4.27Å; L229-N250 VanDerWaalsContact CB-OD1 3.27Å; L229-N250 WeakPolarHBondContact CB-OD1 3.34Å; L229-N250 WeakPolarHBondContact CG-OD1 3.31Å; L229-N250 PolarHBondContact N-OD1 3.13Å; L247-N250 WeakPolarHBondContact O-CB 3.31Å; L247-N250 PolarHBondContact O-ND2 3Å; R248-N250 PolarHBondContact O-ND2 2.94Å; N250-I252 HydrophobicContact CB-CD1 4.46Å; N250-I252 HydrophobicContact CB-CG1 4.47Å; N250-N275 VanDerWaalsContact CA-OD1 3.26Å; N250-N275 WeakPolarHBondContact CA-OD1 3.36Å; N250-N275 WeakPolarHBondContact CB-OD1 3.21Å; N250-N275 PolarHBondContact N-ND2 3.45Å; N250-N275 PolarHBondContact N-OD1 2.95Å; N250-N275 PolarHBondContact O-OD1 3.01Å; N250-N275 VanDerWaalsContact O-OD1 3.13Å
251	Q	98.3	Very high	98	Very high	104 Å²	104	34.8 Å²	34.8	49%	0.486	17%	0.168	S	C	.	.			trans	-111.5	26.7	-174.8	-60	177.8	30.5	0	0	112.4	L229 S253 N275	L229-Q251 CarbonylContact O-C 3.47Å; L229-Q251 VanDerWaalsContact O-C 3.3Å; L229-Q251 WeakPolarHBondContact O-CA 3.42Å; L229-Q251 PolarHBondContact O-N 2.94Å; Q251-S253 PolarHBondContact O-N 3.23Å; Q251-N275 PolarHBondContact N-OD1 3.21Å
252	I	98.3	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.			trans	-72.1	117.3	-179.6	-57.2	160.5	0	0	0	108.6	L229 L232 L247 N250 V258 L272 N275 P276 I277	L229-I252 PolarHBondContact O-N 2.87Å; L232-I252 HydrophobicContact CD1-CD1 4.14Å; L232-I252 HydrophobicContact CD2-CD1 3.89Å; L232-I252 HydrophobicContact CD2-CG1 4.29Å; L232-I252 HydrophobicContact CG-CD1 4.36Å; L247-I252 HydrophobicContact CB-CD1 3.96Å; L247-I252 HydrophobicContact CD1-CD1 3.86Å; L247-I252 HydrophobicContact CD2-CD1 4.19Å; L247-I252 HydrophobicContact CG-CD1 4.22Å; N250-I252 HydrophobicContact CB-CD1 4.46Å; N250-I252 HydrophobicContact CB-CG1 4.47Å; I252-V258 HydrophobicContact CG2-CG2 3.98Å; I252-L272 HydrophobicContact CD1-CD2 3.51Å; I252-N275 HydrophobicContact CB-CB 4.26Å; I252-N275 WeakPolarHBondContact CB-OD1 3.47Å; I252-N275 WeakPolarHBondContact CG1-OD1 3.17Å; I252-N275 PolarHBondContact N-OD1 3.46Å; I252-P276 WeakPolarHBondContact O-CD 3.3Å; I252-I277 HydrophobicContact CG2-CD1 4.47Å; I252-I277 HydrophobicContact CG2-CG2 4.3Å; I252-I277 VanDerWaalsContact O-CB 3.31Å; I252-I277 WeakPolarHBondContact O-CB 3.47Å; I252-I277 PolarHBondContact O-N 3.41Å
253	S	97.2	Very high	97.8	Very high	48 Å²	48	38 Å²	38	34%	0.336	19%	0.185	S	C	.	.			trans	-119.8	-12.3	-175.7	62.8	0	0	0	0	114.2	Q251 K280	Q251-S253 PolarHBondContact O-N 3.23Å; S253-K280 WeakPolarHBondContact O-CE 3.36Å; S253-K280 PolarHBondContact O-NZ 2.9Å
254	K	96.7	Very high	97.8	Very high	41 Å²	41	35.2 Å²	35.2	18%	0.178	17%	0.172	C	C	.	.			trans	-118.6	138.8	-171.2	-68	-172.4	174.4	-166.4	0	112.8	S256 E257 V258 I277 E324	K254-S256 VanDerWaalsContact C-N 3.3Å; K254-S256 WeakPolarHBondContact CB-OG 3.46Å; K254-E257 HydrophobicContact CB-CG 4.29Å; K254-E257 PolarHBondContact O-N 2.77Å; K254-V258 PolarHBondContact O-N 3.15Å; K254-I277 WeakPolarHBondContact O-CD1 3.33Å; K254-E324 WeakPolarHBondContact CA-OE1 3.3Å; K254-E324 HydrophobicContact CB-CG 4.49Å; K254-E324 WeakPolarHBondContact CB-OE2 3.34Å; K254-E324 HydrophobicContact CD-CB 4.29Å; K254-E324 HydrophobicContact CG-CG 4.32Å; K254-E324 PolarHBondContact NZ-O 2.85Å
255	F	97.9	Very high	97.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-67.4	-31.1	173.5	-71.8	-59.5	0	0	0	112.6	E257 V258 K259 I277 K280 Y283 M286 V287 L290 I320 L321 E324	F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 3.08Å; F255-V258 PolarHBondContact O-N 3.02Å; F255-K259 WeakPolarHBondContact O-CB 3.46Å; F255-K259 PolarHBondContact O-N 2.98Å; F255-I277 HydrophobicContact CD1-CD1 3.65Å; F255-I277 HydrophobicContact CD1-CG1 4.14Å; F255-I277 HydrophobicContact CE1-CD1 3.92Å; F255-I277 HydrophobicContact CE1-CG1 3.96Å; F255-I277 HydrophobicContact CG-CD1 4.29Å; F255-I277 HydrophobicContact CZ-CG1 4.45Å; F255-K280 HydrophobicContact CD2-CD 4.21Å; F255-K280 HydrophobicContact CE2-CB 4.17Å; F255-K280 HydrophobicContact CE2-CD 3.67Å; F255-K280 HydrophobicContact CZ-CB 3.96Å; F255-K280 HydrophobicContact CZ-CD 4.1Å; F255-Y283 HydrophobicContact CE1-CD2 4.34Å; F255-M286 HydrophobicContact CD1-CB 3.65Å; F255-M286 HydrophobicContact CD1-CG 4.47Å; F255-M286 HydrophobicContact CD2-CB 4.49Å; F255-M286 HydrophobicContact CD2-CG 4.5Å; F255-M286 HydrophobicContact CD2-SD 4.41Å; F255-M286 HydrophobicContact CE1-CB 3.29Å; F255-M286 HydrophobicContact CE1-CG 4.03Å; F255-M286 HydrophobicContact CE2-CB 4.17Å; F255-M286 HydrophobicContact CE2-CG 4.02Å; F255-M286 HydrophobicContact CE2-SD 4.37Å; F255-M286 HydrophobicContact CG-CB 4.26Å; F255-M286 HydrophobicContact CZ-CB 3.58Å; F255-M286 HydrophobicContact CZ-CG 3.78Å; F255-V287 HydrophobicContact CD1-CG2 4.37Å; F255-V287 HydrophobicContact CE1-CG2 4.17Å; F255-L290 HydrophobicContact CB-CD1 3.83Å; F255-L290 HydrophobicContact CD1-CD1 4.16Å; F255-L290 HydrophobicContact CG-CD1 4.33Å; F255-I320 HydrophobicContact CD2-CG2 3.8Å; F255-I320 HydrophobicContact CE2-CG2 4.32Å; F255-L321 HydrophobicContact CB-CD2 3.76Å; F255-E324 VanDerWaalsContact N-CD 3.3Å; F255-E324 PolarHBondContact N-OE1 3.13Å; F255-E324 PolarHBondContact N-OE2 3.1Å
256	S	96	Very high	97.7	Very high	16 Å²	16	37 Å²	37	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-36.2	172.5	44.5	0	0	0	0	112.8	K254 K259 E324	K254-S256 VanDerWaalsContact C-N 3.3Å; K254-S256 WeakPolarHBondContact CB-OG 3.46Å; S256-K259 WeakPolarHBondContact O-CB 3.39Å; S256-E324 WeakPolarHBondContact CB-OE2 3.42Å; S256-E324 PolarHBondContact N-OE2 3.08Å; S256-E324 PolarHBondContact OG-OE2 3.15Å
257	E	96.9	Very high	97.7	Very high	21 Å²	21	36.6 Å²	36.6	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-72	-43.9	174.1	-67.2	-56.6	125	0	0	111.5	K231 L232 K254 F255 K259 R260	K231-E257 WeakPolarHBondContact CA-OE2 3.41Å; L232-E257 HydrophobicContact CG-CB 4.42Å; L232-E257 PolarHBondContact N-OE2 3.29Å; K254-E257 HydrophobicContact CB-CG 4.29Å; K254-E257 PolarHBondContact O-N 2.77Å; F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 3.08Å; E257-K259 VanDerWaalsContact C-N 3.27Å; E257-K259 PolarHBondContact O-N 3.06Å; E257-R260 VanDerWaalsContact CD-NE 3.33Å; E257-R260 VanDerWaalsContact O-CB 3.26Å; E257-R260 WeakPolarHBondContact O-CB 3.46Å; E257-R260 WeakPolarHBondContact O-CG 3.26Å; E257-R260 PolarHBondContact O-N 2.89Å; E257-R260 VanDerWaalsContact O-N 3.1Å; E257-R260 IonicContact OE1-CZ 3.6Å; E257-R260 IonicContact OE1-NE 2.72Å; E257-R260 PolarHBondContact OE1-NE 3.11Å; E257-R260 VanDerWaalsContact OE1-NE 3.08Å; E257-R260 IonicContact OE1-NH2 3.69Å; E257-R260 PolarHBondContact OE1-NH2 2.78Å; E257-R260 WeakPolarHBondContact OE2-CD 3.46Å; E257-R260 IonicContact OE2-CZ 2.94Å; E257-R260 IonicContact OE2-NE 3.78Å; E257-R260 PolarHBondContact OE2-NE 2.84Å
258	V	98.1	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-34.2	175.5	177	0	0	0	0	112.3	I252 K254 F255 R260 L261 L272 I277 V287 V291	I252-V258 HydrophobicContact CG2-CG2 3.98Å; K254-V258 PolarHBondContact O-N 3.15Å; F255-V258 PolarHBondContact O-N 3.02Å; V258-R260 PolarHBondContact O-N 3.06Å; V258-R260 VanDerWaalsContact O-N 3.16Å; V258-L261 WeakPolarHBondContact O-CB 3.48Å; V258-L261 PolarHBondContact O-N 3.27Å; V258-L272 HydrophobicContact CG1-CD1 4.34Å; V258-L272 HydrophobicContact CG2-CD1 3.98Å; V258-I277 HydrophobicContact CB-CD1 4.36Å; V258-I277 HydrophobicContact CG2-CD1 3.44Å; V258-I277 VanDerWaalsContact CG2-CD1 3.44Å; V258-V287 HydrophobicContact CG1-CB 4.47Å; V258-V287 HydrophobicContact CG1-CG1 3.95Å; V258-V287 HydrophobicContact CG1-CG2 4.12Å; V258-V291 HydrophobicContact CG1-CG2 3.97Å
259	K	97.1	Very high	97.7	Very high	109 Å²	109	38.8 Å²	38.8	47%	0.474	20%	0.201	S	C	.	.	H	α-helix	trans	-56.9	-28.5	175.6	-175.7	179.5	176.9	-177.9	0	112.6	F255 S256 E257 L261 N262 L290 L321	F255-K259 WeakPolarHBondContact O-CB 3.46Å; F255-K259 PolarHBondContact O-N 2.98Å; S256-K259 WeakPolarHBondContact O-CB 3.39Å; E257-K259 VanDerWaalsContact C-N 3.27Å; E257-K259 PolarHBondContact O-N 3.06Å; K259-L261 PolarHBondContact O-N 3.17Å; K259-N262 VanDerWaalsContact O-CB 3.26Å; K259-N262 WeakPolarHBondContact O-CB 3.29Å; K259-N262 PolarHBondContact O-N 2.65Å; K259-N262 VanDerWaalsContact O-N 3.11Å; K259-L290 HydrophobicContact CB-CD2 4.16Å; K259-L290 HydrophobicContact CD-CD2 4.17Å; K259-L290 HydrophobicContact CG-CD2 4.08Å; K259-L321 HydrophobicContact CD-CD1 3.9Å
260	R	96.6	Very high	97.7	Very high	108 Å²	108	38.2 Å²	38.2	41%	0.408	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-32.4	177.4	-59	-175.7	-173.9	-76.6	-4.8	112.2	L232 E257 V258 N262 C263	L232-R260 WeakPolarHBondContact O-CD 3.17Å; E257-R260 VanDerWaalsContact CD-NE 3.33Å; E257-R260 VanDerWaalsContact O-CB 3.26Å; E257-R260 WeakPolarHBondContact O-CB 3.46Å; E257-R260 WeakPolarHBondContact O-CG 3.26Å; E257-R260 PolarHBondContact O-N 2.89Å; E257-R260 VanDerWaalsContact O-N 3.1Å; E257-R260 IonicContact OE1-CZ 3.6Å; E257-R260 IonicContact OE1-NE 2.72Å; E257-R260 PolarHBondContact OE1-NE 3.11Å; E257-R260 VanDerWaalsContact OE1-NE 3.08Å; E257-R260 IonicContact OE1-NH2 3.69Å; E257-R260 PolarHBondContact OE1-NH2 2.78Å; E257-R260 WeakPolarHBondContact OE2-CD 3.46Å; E257-R260 IonicContact OE2-CZ 2.94Å; E257-R260 IonicContact OE2-NE 3.78Å; E257-R260 PolarHBondContact OE2-NE 2.84Å; V258-R260 PolarHBondContact O-N 3.06Å; V258-R260 VanDerWaalsContact O-N 3.16Å; R260-N262 PolarHBondContact O-N 3Å; R260-N262 VanDerWaalsContact O-N 3.1Å; R260-C263 PolarHBondContact O-N 3.34Å; R260-C263 PolarHBondContact O-SG 2.58Å
261	L	98.1	Very high	97.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.6	-14	178.7	-57.4	-178.6	0	0	0	113.7	L232 F235 I245 L247 V258 K259 C263 L264 L267 L270 V291	L232-L261 HydrophobicContact CD1-CD1 4.04Å; L232-L261 HydrophobicContact CD1-CD2 4.19Å; L232-L261 HydrophobicContact CD1-CG 4.02Å; F235-L261 HydrophobicContact CB-CD2 3.98Å; F235-L261 HydrophobicContact CD1-CD2 4Å; F235-L261 HydrophobicContact CD2-CD2 3.48Å; F235-L261 VanDerWaalsContact CD2-CD2 3.48Å; F235-L261 HydrophobicContact CE1-CD2 4.36Å; F235-L261 HydrophobicContact CE2-CD2 3.9Å; F235-L261 HydrophobicContact CG-CD2 3.52Å; F235-L261 HydrophobicContact CZ-CD2 4.31Å; I245-L261 HydrophobicContact CD1-CD2 4.32Å; L247-L261 HydrophobicContact CD1-CD1 4.44Å; V258-L261 WeakPolarHBondContact O-CB 3.48Å; V258-L261 PolarHBondContact O-N 3.27Å; K259-L261 PolarHBondContact O-N 3.17Å; L261-C263 PolarHBondContact O-N 3.33Å; L261-L264 HydrophobicContact CB-CD1 4.35Å; L261-L264 HydrophobicContact CD2-CD1 4.02Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 WeakPolarHBondContact O-CG 3.43Å; L261-L264 PolarHBondContact O-N 2.87Å; L261-L264 VanDerWaalsContact O-N 3.13Å; L261-L267 HydrophobicContact CB-CD2 4.1Å; L261-L270 HydrophobicContact CD1-CD1 3.9Å; L261-L270 HydrophobicContact CD1-CD2 3.89Å; L261-V291 HydrophobicContact CB-CG2 4.11Å
262	N	96.8	Very high	97.7	Very high	70 Å²	70	33.4 Å²	33.4	37%	0.374	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-66.7	-14.4	177.5	-171.5	55.1	0	0	0	113.2	K259 R260 L264 L290	K259-N262 VanDerWaalsContact O-CB 3.26Å; K259-N262 WeakPolarHBondContact O-CB 3.29Å; K259-N262 PolarHBondContact O-N 2.65Å; K259-N262 VanDerWaalsContact O-N 3.11Å; R260-N262 PolarHBondContact O-N 3Å; R260-N262 VanDerWaalsContact O-N 3.1Å; N262-L264 PolarHBondContact O-N 2.92Å; N262-L290 WeakPolarHBondContact CB-O 3.31Å; N262-L290 PolarHBondContact OD1-O 2.89Å
263	C	96.9	Very high	97.7	Very high	46 Å²	46	35.3 Å²	35.3	31%	0.311	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-71.2	-15.3	172.9	71.9	0	0	0	0	113.3	R260 L261 P265	R260-C263 PolarHBondContact O-N 3.34Å; R260-C263 PolarHBondContact O-SG 2.58Å; L261-C263 PolarHBondContact O-N 3.33Å; C263-P265 VanDerWaalsContact O-CD 3.31Å; C263-P265 WeakPolarHBondContact O-CD 3.22Å
264	L	98.1	Very high	97.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.189	C	C	.	.			trans	-83.1	109.6	-174.6	-58.2	174.4	0	0	0	110.4	F235 T236 L239 L242 I245 L261 N262 S266 L267	F235-L264 HydrophobicContact CB-CD1 4.43Å; F235-L264 HydrophobicContact CB-CD2 4.43Å; F235-L264 HydrophobicContact CD1-CD1 3.86Å; F235-L264 HydrophobicContact CD1-CD2 4.44Å; F235-L264 HydrophobicContact CG-CD1 4.4Å; T236-L264 WeakPolarHBondContact O-CD2 3.1Å; L239-L264 HydrophobicContact CB-CD2 3.68Å; L239-L264 HydrophobicContact CD1-CD2 4.05Å; L239-L264 HydrophobicContact CG-CD2 4.49Å; L242-L264 HydrophobicContact CD2-CD1 4.26Å; I245-L264 HydrophobicContact CD1-CD1 3.6Å; L261-L264 HydrophobicContact CB-CD1 4.35Å; L261-L264 HydrophobicContact CD2-CD1 4.02Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 WeakPolarHBondContact O-CG 3.43Å; L261-L264 PolarHBondContact O-N 2.87Å; L261-L264 VanDerWaalsContact O-N 3.13Å; N262-L264 PolarHBondContact O-N 2.92Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.06Å; L264-L267 HydrophobicContact CB-CB 3.85Å; L264-L267 HydrophobicContact CD1-CD2 4.01Å
265	P	96.8	Very high	97.8	Very high	60 Å²	60	35.2 Å²	35.2	39%	0.39	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.8	-168.1	27.4	-35	0	0	0	113.8	C263	C263-P265 VanDerWaalsContact O-CD 3.31Å; C263-P265 WeakPolarHBondContact O-CD 3.22Å
266	S	98	Very high	97.9	Very high	39 Å²	39	38.3 Å²	38.3	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	2.8	-172.7	-59.8	0	0	0	0	114	T240 L242 E243 L264 K268	T240-S266 VanDerWaalsContact O-CB 3.31Å; T240-S266 WeakPolarHBondContact O-CB 3.21Å; T240-S266 PolarHBondContact O-OG 3.09Å; L242-S266 CarbonylContact O-C 3.14Å; L242-S266 VanDerWaalsContact O-C 3.3Å; E243-S266 WeakPolarHBondContact CA-O 3.2Å; L264-S266 VanDerWaalsContact C-N 3.31Å; L264-S266 PolarHBondContact O-N 3.06Å; S266-K268 WeakPolarHBondContact O-CG 3.22Å; S266-K268 PolarHBondContact O-N 3.11Å
267	L	98.5	Very high	98	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.197	C	C	.	.			trans	-65	118.1	-175.4	-177	64.7	0	0	0	111.4	L242 I245 L261 L264 V291 L294	L242-L267 WeakPolarHBondContact O-CA 3.33Å; L242-L267 PolarHBondContact O-N 3.41Å; I245-L267 HydrophobicContact CB-CD1 4.28Å; I245-L267 HydrophobicContact CD1-CD1 3.63Å; I245-L267 HydrophobicContact CD1-CD2 4.21Å; I245-L267 HydrophobicContact CG1-CD1 3.76Å; L261-L267 HydrophobicContact CB-CD2 4.1Å; L264-L267 HydrophobicContact CB-CB 3.85Å; L264-L267 HydrophobicContact CD1-CD2 4.01Å; L267-V291 HydrophobicContact CD2-CG1 3.88Å; L267-L294 HydrophobicContact CD2-CD2 4.17Å; L267-L294 HydrophobicContact CG-CD2 3.94Å
268	K	98.4	Very high	98	Very high	61 Å²	61	38.1 Å²	38.1	27%	0.265	20%	0.201	S	C	.	.			trans	-115.6	-34.4	-178	-68.6	168.7	-161.6	164.5	0	112.7	E243 S266 Q295 R296	E243-K268 PolarHBondContact O-N 2.8Å; E243-K268 IonicContact OE1-NZ 2.87Å; E243-K268 PolarHBondContact OE1-NZ 3Å; E243-K268 IonicContact OE2-NZ 3.92Å; E243-K268 PolarHBondContact OE2-NZ 3.25Å; S266-K268 WeakPolarHBondContact O-CG 3.22Å; S266-K268 PolarHBondContact O-N 3.11Å; K268-Q295 HydrophobicContact CB-CB 4.41Å; K268-Q295 HydrophobicContact CB-CG 4.13Å; K268-Q295 HydrophobicContact CG-CG 4.21Å; K268-Q295 PolarHBondContact O-N 2.85Å; K268-R296 PolarHBondContact O-N 3.15Å; K268-R296 VanDerWaalsContact O-N 3.15Å
269	F	98.7	Very high	98	Very high	59 Å²	59	45.9 Å²	45.9	26%	0.259	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.9	-172.1	-52.5	-76.3	0	0	0	110.5	E243 Y244 I245 Q295 R296	E243-F269 PolarHBondContact O-N 3.24Å; Y244-F269 WeakPolarHBondContact CA-O 3.32Å; Y244-F269 HydrophobicContact CD2-CB 3.51Å; Y244-F269 HydrophobicContact CD2-CD2 4.27Å; Y244-F269 HydrophobicContact CD2-CG 4.1Å; Y244-F269 HydrophobicContact CE2-CB 4.2Å; Y244-F269 HydrophobicContact CG-CB 4.23Å; I245-F269 PolarHBondContact N-O 3.02Å; F269-Q295 HydrophobicContact CE1-CB 4.42Å; F269-R296 HydrophobicContact CD1-CB 3.88Å; F269-R296 HydrophobicContact CD1-CG 3.81Å; F269-R296 HydrophobicContact CE1-CB 4.39Å; F269-R296 HydrophobicContact CE1-CG 3.8Å
270	L	98.8	Very high	98	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.5	177.5	179.5	61.6	0	0	0	109.8	I245 L247 L261 L272 V287 L294 R296 L297 D298	I245-L270 HydrophobicContact CB-CD1 4.14Å; I245-L270 HydrophobicContact CG2-CD1 4.14Å; I245-L270 WeakPolarHBondContact O-CA 3.38Å; L247-L270 HydrophobicContact CD1-CD1 4.08Å; L261-L270 HydrophobicContact CD1-CD1 3.9Å; L261-L270 HydrophobicContact CD1-CD2 3.89Å; L270-L272 HydrophobicContact CD1-CG 4.24Å; L270-L272 HydrophobicContact CD2-CD1 3.83Å; L270-L272 HydrophobicContact CD2-CG 4.19Å; L270-L272 HydrophobicContact CG-CD1 4.23Å; L270-L272 HydrophobicContact CG-CG 4.06Å; L270-V287 HydrophobicContact CD2-CG1 4.11Å; L270-L294 HydrophobicContact CB-CD1 4.04Å; L270-L294 HydrophobicContact CB-CD2 3.66Å; L270-L294 HydrophobicContact CD2-CD1 4Å; L270-R296 PolarHBondContact N-O 3.12Å; L270-L297 HydrophobicContact CB-CD1 4.29Å; L270-L297 HydrophobicContact CD2-CD1 4.23Å; L270-L297 HydrophobicContact CG-CD1 4.19Å; L270-L297 WeakPolarHBondContact O-CA 3.49Å; L270-D298 PolarHBondContact O-N 3.25Å
271	S	98.7	Very high	98	Very high	12 Å²	12	46 Å²	46	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.8	168.2	-179.3	0	0	0	0	109.2	I245 L247 D298	I245-S271 PolarHBondContact O-N 2.74Å; L247-S271 CarbonylContact C-O 3.42Å; L247-S271 WeakPolarHBondContact CA-O 3.24Å; L247-S271 WeakPolarHBondContact CB-O 3.38Å; L247-S271 PolarHBondContact N-O 3.14Å; S271-D298 WeakPolarHBondContact CA-OD1 3.32Å
272	L	98.7	Very high	97.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.			trans	-123.3	5.6	177.4	-76.7	168.1	0	0	0	111.4	L247 I252 V258 L270 N275 T278 Y283 V287 L297 D298	L247-L272 HydrophobicContact CB-CD2 4.08Å; L247-L272 HydrophobicContact CD1-CD2 4.1Å; I252-L272 HydrophobicContact CD1-CD2 3.51Å; V258-L272 HydrophobicContact CG1-CD1 4.34Å; V258-L272 HydrophobicContact CG2-CD1 3.98Å; L270-L272 HydrophobicContact CD1-CG 4.24Å; L270-L272 HydrophobicContact CD2-CD1 3.83Å; L270-L272 HydrophobicContact CD2-CG 4.19Å; L270-L272 HydrophobicContact CG-CD1 4.23Å; L270-L272 HydrophobicContact CG-CG 4.06Å; L272-N275 VanDerWaalsContact O-CB 3.27Å; L272-N275 WeakPolarHBondContact O-CB 3.49Å; L272-N275 PolarHBondContact O-N 2.66Å; L272-N275 PolarHBondContact O-ND2 3.03Å; L272-T278 HydrophobicContact CB-CG2 4.46Å; L272-T278 WeakPolarHBondContact O-CG2 3.03Å; L272-Y283 VanDerWaalsContact CB-OH 3.23Å; L272-Y283 WeakPolarHBondContact CB-OH 3.47Å; L272-Y283 HydrophobicContact CD1-CE2 4.16Å; L272-V287 HydrophobicContact CD1-CG1 4.18Å; L272-V287 HydrophobicContact CD1-CG2 4.2Å; L272-L297 HydrophobicContact CD1-CD1 4.49Å; L272-D298 PolarHBondContact N-OD1 3.16Å
273	V	98.5	Very high	97.9	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.236	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.5	144	174.8	-176.2	0	0	0	0	111.3	R248 G249 N275 D298	R248-V273 CarbonylContact C-O 3.59Å; R248-V273 WeakPolarHBondContact CA-O 3.37Å; R248-V273 HydrophobicContact CB-CB 4.39Å; R248-V273 HydrophobicContact CG-CB 4.11Å; R248-V273 HydrophobicContact CG-CG1 4.47Å; R248-V273 WeakPolarHBondContact CG-O 3.39Å; G249-V273 PolarHBondContact N-O 2.75Å; V273-N275 VanDerWaalsContact C-N 3.27Å; V273-N275 PolarHBondContact O-N 2.94Å; V273-N275 PolarHBondContact O-ND2 3.14Å; V273-D298 HydrophobicContact CG2-CB 3.68Å; V273-D298 WeakPolarHBondContact CG2-OD1 2.95Å; V273-D298 PolarHBondContact N-OD1 2.98Å
274	D	98.3	Very high	97.9	Very high	85 Å²	85	48 Å²	48	46%	0.455	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	37.1	-178.3	-49.8	-23	0	0	0	113.9	R248 G249	R248-D274 HydrophobicContact CG-CB 4.33Å; R248-D274 IonicContact CZ-OD2 3.29Å; R248-D274 IonicContact NE-OD2 2.67Å; R248-D274 PolarHBondContact NE-OD2 2.76Å; R248-D274 IonicContact NH2-OD1 3.95Å; R248-D274 IonicContact NH2-OD2 2.92Å; R248-D274 PolarHBondContact NH2-OD2 3.16Å; G249-D274 VanDerWaalsContact CA-O 3.29Å; G249-D274 WeakPolarHBondContact CA-O 3.23Å; G249-D274 PolarHBondContact N-O 3.31Å
275	N	98.8	Very high	97.9	Very high	3 Å²	3	51 Å²	51	2%	0.016	26%	0.264	C	S	.	.	S	Bend	trans	-115.8	148.6	164.7	-78.5	-102.9	0	0	0	109.2	L247 N250 Q251 I252 L272 V273 I277 T278	L247-N275 PolarHBondContact O-ND2 3.34Å; N250-N275 VanDerWaalsContact CA-OD1 3.26Å; N250-N275 WeakPolarHBondContact CA-OD1 3.36Å; N250-N275 WeakPolarHBondContact CB-OD1 3.21Å; N250-N275 PolarHBondContact N-ND2 3.45Å; N250-N275 PolarHBondContact N-OD1 2.95Å; N250-N275 PolarHBondContact O-OD1 3.01Å; N250-N275 VanDerWaalsContact O-OD1 3.13Å; Q251-N275 PolarHBondContact N-OD1 3.21Å; I252-N275 HydrophobicContact CB-CB 4.26Å; I252-N275 WeakPolarHBondContact CB-OD1 3.47Å; I252-N275 WeakPolarHBondContact CG1-OD1 3.17Å; I252-N275 PolarHBondContact N-OD1 3.46Å; L272-N275 VanDerWaalsContact O-CB 3.27Å; L272-N275 WeakPolarHBondContact O-CB 3.49Å; L272-N275 PolarHBondContact O-N 2.66Å; L272-N275 PolarHBondContact O-ND2 3.03Å; V273-N275 VanDerWaalsContact C-N 3.27Å; V273-N275 PolarHBondContact O-N 2.94Å; V273-N275 PolarHBondContact O-ND2 3.14Å; N275-I277 HydrophobicContact CB-CG2 3.97Å; N275-I277 PolarHBondContact O-N 2.88Å; N275-T278 PolarHBondContact O-N 3.01Å; N275-T278 PolarHBondContact O-OG1 3.33Å
276	P	98.4	Very high	97.9	Very high	69 Å²	69	48.2 Å²	48.2	45%	0.448	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52.1	-29.2	178.3	-28.2	34.3	0	0	0	114.9	I252 T278 E279	I252-P276 WeakPolarHBondContact O-CD 3.3Å; P276-T278 PolarHBondContact O-N 3.13Å; P276-E279 PolarHBondContact O-N 2.82Å
277	I	98	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.3	-25.9	177	-160.4	177.8	0	0	0	113.6	I252 K254 F255 V258 N275 E279 K280 Y283	I252-I277 HydrophobicContact CG2-CD1 4.47Å; I252-I277 HydrophobicContact CG2-CG2 4.3Å; I252-I277 VanDerWaalsContact O-CB 3.31Å; I252-I277 WeakPolarHBondContact O-CB 3.47Å; I252-I277 PolarHBondContact O-N 3.41Å; K254-I277 WeakPolarHBondContact O-CD1 3.33Å; F255-I277 HydrophobicContact CD1-CD1 3.65Å; F255-I277 HydrophobicContact CD1-CG1 4.14Å; F255-I277 HydrophobicContact CE1-CD1 3.92Å; F255-I277 HydrophobicContact CE1-CG1 3.96Å; F255-I277 HydrophobicContact CG-CD1 4.29Å; F255-I277 HydrophobicContact CZ-CG1 4.45Å; V258-I277 HydrophobicContact CB-CD1 4.36Å; V258-I277 HydrophobicContact CG2-CD1 3.44Å; V258-I277 VanDerWaalsContact CG2-CD1 3.44Å; N275-I277 HydrophobicContact CB-CG2 3.97Å; N275-I277 PolarHBondContact O-N 2.88Å; I277-E279 PolarHBondContact O-N 2.93Å; I277-K280 HydrophobicContact CG1-CD 4.43Å; I277-K280 WeakPolarHBondContact O-CB 3.26Å; I277-K280 PolarHBondContact O-N 3.11Å; I277-Y283 HydrophobicContact CG1-CD2 4.19Å; I277-Y283 HydrophobicContact CG1-CE2 4.46Å; I277-Y283 HydrophobicContact CG2-CD2 4.36Å; I277-Y283 HydrophobicContact CG2-CE2 3.94Å; I277-Y283 VanDerWaalsContact O-CD2 3.22Å; I277-Y283 WeakPolarHBondContact O-CD2 3.15Å
278	T	98.1	Very high	97.9	Very high	32 Å²	32	46.3 Å²	46.3	20%	0.196	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-69.7	-20.8	-178.1	60.9	0	0	0	0	113	L272 N275 P276 K280 Y283	L272-T278 HydrophobicContact CB-CG2 4.46Å; L272-T278 WeakPolarHBondContact O-CG2 3.03Å; N275-T278 PolarHBondContact O-N 3.01Å; N275-T278 PolarHBondContact O-OG1 3.33Å; P276-T278 PolarHBondContact O-N 3.13Å; T278-K280 VanDerWaalsContact C-N 3.33Å; T278-Y283 HydrophobicContact CG2-CE1 4.09Å; T278-Y283 HydrophobicContact CG2-CE2 4.09Å
279	E	97.7	Very high	97.9	Very high	163 Å²	163	43.8 Å²	43.8	76%	0.762	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-83.7	-7.7	176.9	-58.7	-53.5	128.3	0	0	113.1	P276 I277	P276-E279 PolarHBondContact O-N 2.82Å; I277-E279 PolarHBondContact O-N 2.93Å
280	K	97	Very high	97.9	Very high	75 Å²	75	41.4 Å²	41.4	33%	0.326	21%	0.214	S	C	.	.	S	Bend	trans	-73.4	144.6	179.3	-69.6	-165.5	173.2	-174.1	0	112	S253 F255 I277 T278 Y283 E324	S253-K280 WeakPolarHBondContact O-CE 3.36Å; S253-K280 PolarHBondContact O-NZ 2.9Å; F255-K280 HydrophobicContact CD2-CD 4.21Å; F255-K280 HydrophobicContact CE2-CB 4.17Å; F255-K280 HydrophobicContact CE2-CD 3.67Å; F255-K280 HydrophobicContact CZ-CB 3.96Å; F255-K280 HydrophobicContact CZ-CD 4.1Å; I277-K280 HydrophobicContact CG1-CD 4.43Å; I277-K280 WeakPolarHBondContact O-CB 3.26Å; I277-K280 PolarHBondContact O-N 3.11Å; T278-K280 VanDerWaalsContact C-N 3.33Å; K280-Y283 WeakPolarHBondContact O-CB 3.39Å; K280-Y283 PolarHBondContact O-N 2.9Å; K280-E324 IonicContact NZ-OE1 3.54Å; K280-E324 PolarHBondContact NZ-OE1 3.16Å
281	D	95.6	Very high	97.8	Very high	144 Å²	144	41.3 Å²	41.3	77%	0.77	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	140.9	171.1	-72.3	-35.7	0	0	0	111.3	Y283	D281-Y283 PolarHBondContact O-N 2.78Å
282	N	95	Very high	97.6	Very high	79 Å²	79	42.8 Å²	42.8	42%	0.422	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	20.2	-179.9	-51.8	-64.4	0	0	0	114.5	R284 Q285 M286 F313	N282-R284 VanDerWaalsContact C-N 3.33Å; N282-R284 PolarHBondContact O-N 2.76Å; N282-Q285 HydrophobicContact CB-CB 4.4Å; N282-Q285 PolarHBondContact O-N 2.88Å; N282-Q285 PolarHBondContact O-OE1 3.48Å; N282-M286 HydrophobicContact CB-CG 4.34Å; N282-M286 WeakPolarHBondContact O-CG 3.31Å; N282-M286 PolarHBondContact O-N 2.9Å; N282-F313 HydrophobicContact CB-CE1 3.91Å; N282-F313 HydrophobicContact CB-CZ 3.75Å
283	Y	97.8	Very high	97.4	Very high	25 Å²	25	49.6 Å²	49.6	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-42.9	-54.7	-179	159.6	-106.9	0	0	0	113	F255 L272 I277 T278 K280 D281 Q285 M286 V287 L297 D298	F255-Y283 HydrophobicContact CE1-CD2 4.34Å; L272-Y283 VanDerWaalsContact CB-OH 3.23Å; L272-Y283 WeakPolarHBondContact CB-OH 3.47Å; L272-Y283 HydrophobicContact CD1-CE2 4.16Å; I277-Y283 HydrophobicContact CG1-CD2 4.19Å; I277-Y283 HydrophobicContact CG1-CE2 4.46Å; I277-Y283 HydrophobicContact CG2-CD2 4.36Å; I277-Y283 HydrophobicContact CG2-CE2 3.94Å; I277-Y283 VanDerWaalsContact O-CD2 3.22Å; I277-Y283 WeakPolarHBondContact O-CD2 3.15Å; T278-Y283 HydrophobicContact CG2-CE1 4.09Å; T278-Y283 HydrophobicContact CG2-CE2 4.09Å; K280-Y283 WeakPolarHBondContact O-CB 3.39Å; K280-Y283 PolarHBondContact O-N 2.9Å; D281-Y283 PolarHBondContact O-N 2.78Å; Y283-Q285 PolarHBondContact O-N 3.37Å; Y283-M286 PolarHBondContact O-N 3.07Å; Y283-V287 HydrophobicContact CD2-CG2 3.75Å; Y283-V287 HydrophobicContact CE2-CB 4.47Å; Y283-V287 HydrophobicContact CE2-CG2 3.43Å; Y283-V287 VanDerWaalsContact CE2-CG2 3.43Å; Y283-V287 WeakPolarHBondContact O-CG2 3.26Å; Y283-V287 PolarHBondContact O-N 3Å; Y283-L297 HydrophobicContact CE1-CD2 4.5Å; Y283-D298 VanDerWaalsContact CE1-OD2 3.24Å; Y283-D298 WeakPolarHBondContact CE1-OD2 3.41Å; Y283-D298 PolarHBondContact OH-OD2 3.31Å
284	R	97.8	Very high	97.4	Very high	55 Å²	55	47.8 Å²	47.8	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-43.8	-177.8	-176.3	175.2	-175.1	76.1	-0.4	112.2	N282 V288 L297 K300 R301 F306	N282-R284 VanDerWaalsContact C-N 3.33Å; N282-R284 PolarHBondContact O-N 2.76Å; R284-V288 HydrophobicContact CG-CG2 4.48Å; R284-V288 VanDerWaalsContact O-CB 3.32Å; R284-V288 WeakPolarHBondContact O-CB 3.4Å; R284-V288 VanDerWaalsContact O-CG2 3.27Å; R284-V288 WeakPolarHBondContact O-CG2 3.24Å; R284-V288 PolarHBondContact O-N 2.63Å; R284-V288 VanDerWaalsContact O-N 3.09Å; R284-L297 HydrophobicContact CG-CD2 4.21Å; R284-L297 PolarHBondContact NH1-O 3.34Å; R284-L297 VanDerWaalsContact NH1-O 3.14Å; R284-K300 PolarHBondContact NH2-O 2.97Å; R284-K300 VanDerWaalsContact NH2-O 3.12Å; R284-R301 PolarHBondContact NH2-O 3.13Å; R284-F306 HydrophobicContact CG-CE1 3.96Å; R284-F306 HydrophobicContact CG-CZ 3.96Å
285	Q	97.4	Very high	97.4	Very high	64 Å²	64	48.2 Å²	48.2	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-65.2	-44.4	179.7	-70.5	74.3	0.9	0	0	110.4	N282 Y283 G289 F306 A310 F313	N282-Q285 HydrophobicContact CB-CB 4.4Å; N282-Q285 PolarHBondContact O-N 2.88Å; N282-Q285 PolarHBondContact O-OE1 3.48Å; Y283-Q285 PolarHBondContact O-N 3.37Å; Q285-G289 PolarHBondContact O-N 3.07Å; Q285-F306 HydrophobicContact CB-CZ 4.46Å; Q285-F306 HydrophobicContact CG-CE2 4.02Å; Q285-F306 HydrophobicContact CG-CZ 3.76Å; Q285-A310 WeakPolarHBondContact O-CB 3.44Å; Q285-F313 HydrophobicContact CB-CD1 4.32Å; Q285-F313 HydrophobicContact CB-CG 4.5Å
286	M	98	Very high	97.4	Very high	2 Å²	2	53 Å²	53	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-51.8	179.1	-72	-93.2	53.2	0	0	111.7	F255 N282 Y283 V288 G289 L290 F313 V314 I320	F255-M286 HydrophobicContact CD1-CB 3.65Å; F255-M286 HydrophobicContact CD1-CG 4.47Å; F255-M286 HydrophobicContact CD2-CB 4.49Å; F255-M286 HydrophobicContact CD2-CG 4.5Å; F255-M286 HydrophobicContact CD2-SD 4.41Å; F255-M286 HydrophobicContact CE1-CB 3.29Å; F255-M286 HydrophobicContact CE1-CG 4.03Å; F255-M286 HydrophobicContact CE2-CB 4.17Å; F255-M286 HydrophobicContact CE2-CG 4.02Å; F255-M286 HydrophobicContact CE2-SD 4.37Å; F255-M286 HydrophobicContact CG-CB 4.26Å; F255-M286 HydrophobicContact CZ-CB 3.58Å; F255-M286 HydrophobicContact CZ-CG 3.78Å; N282-M286 HydrophobicContact CB-CG 4.34Å; N282-M286 WeakPolarHBondContact O-CG 3.31Å; N282-M286 PolarHBondContact O-N 2.9Å; Y283-M286 PolarHBondContact O-N 3.07Å; M286-V288 PolarHBondContact O-N 3.35Å; M286-G289 PolarHBondContact O-N 2.89Å; M286-L290 WeakPolarHBondContact O-CB 3.33Å; M286-L290 WeakPolarHBondContact O-CD1 3.27Å; M286-L290 WeakPolarHBondContact O-CG 3.31Å; M286-L290 PolarHBondContact O-N 2.79Å; M286-F313 HydrophobicContact CE-CD1 4.09Å; M286-F313 HydrophobicContact CE-CE1 4.3Å; M286-F313 HydrophobicContact CG-CD1 4.37Å; M286-F313 HydrophobicContact CG-CE1 3.94Å; M286-F313 HydrophobicContact SD-CD1 4.36Å; M286-F313 HydrophobicContact SD-CE1 3.97Å; M286-V314 HydrophobicContact CE-CB 3.86Å; M286-V314 HydrophobicContact CE-CG1 4.19Å; M286-V314 HydrophobicContact CE-CG2 3.29Å; M286-I320 HydrophobicContact SD-CD1 3.82Å
287	V	98.4	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-46.4	-179.4	173.5	0	0	0	0	111.9	F255 V258 L270 L272 Y283 G289 L290 V291 L294 L297	F255-V287 HydrophobicContact CD1-CG2 4.37Å; F255-V287 HydrophobicContact CE1-CG2 4.17Å; V258-V287 HydrophobicContact CG1-CB 4.47Å; V258-V287 HydrophobicContact CG1-CG1 3.95Å; V258-V287 HydrophobicContact CG1-CG2 4.12Å; L270-V287 HydrophobicContact CD2-CG1 4.11Å; L272-V287 HydrophobicContact CD1-CG1 4.18Å; L272-V287 HydrophobicContact CD1-CG2 4.2Å; Y283-V287 HydrophobicContact CD2-CG2 3.75Å; Y283-V287 HydrophobicContact CE2-CB 4.47Å; Y283-V287 HydrophobicContact CE2-CG2 3.43Å; Y283-V287 VanDerWaalsContact CE2-CG2 3.43Å; Y283-V287 WeakPolarHBondContact O-CG2 3.26Å; Y283-V287 PolarHBondContact O-N 3Å; V287-G289 VanDerWaalsContact C-N 3.3Å; V287-G289 PolarHBondContact O-N 3.45Å; V287-L290 PolarHBondContact O-N 2.74Å; V287-V291 PolarHBondContact O-N 2.72Å; V287-L294 HydrophobicContact CG1-CD1 4.23Å; V287-L297 HydrophobicContact CB-CD2 3.81Å; V287-L297 HydrophobicContact CG1-CD1 3.78Å; V287-L297 HydrophobicContact CG1-CD2 3.68Å; V287-L297 HydrophobicContact CG1-CG 4.38Å
288	V	98.3	Very high	97.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-36.2	178.2	169.4	0	0	0	0	111.6	R284 M286 V291 N292 L297 V302 F306 R307 A310	R284-V288 HydrophobicContact CG-CG2 4.48Å; R284-V288 VanDerWaalsContact O-CB 3.32Å; R284-V288 WeakPolarHBondContact O-CB 3.4Å; R284-V288 VanDerWaalsContact O-CG2 3.27Å; R284-V288 WeakPolarHBondContact O-CG2 3.24Å; R284-V288 PolarHBondContact O-N 2.63Å; R284-V288 VanDerWaalsContact O-N 3.09Å; M286-V288 PolarHBondContact O-N 3.35Å; V288-V291 CarbonylContact O-C 3.15Å; V288-N292 WeakPolarHBondContact O-CA 3.47Å; V288-N292 PolarHBondContact O-N 2.91Å; V288-L297 HydrophobicContact CG2-CB 4.48Å; V288-L297 HydrophobicContact CG2-CD2 3.92Å; V288-V302 HydrophobicContact CG1-CG1 3.55Å; V288-V302 HydrophobicContact CG2-CG1 4.13Å; V288-V302 HydrophobicContact CG2-CG2 3.79Å; V288-F306 HydrophobicContact CB-CD1 4.48Å; V288-F306 HydrophobicContact CB-CE1 4.04Å; V288-F306 HydrophobicContact CG1-CD1 4.05Å; V288-F306 HydrophobicContact CG1-CE1 4.1Å; V288-F306 HydrophobicContact CG2-CD1 4.48Å; V288-F306 HydrophobicContact CG2-CE1 3.99Å; V288-R307 HydrophobicContact CG1-CB 4.46Å; V288-A310 HydrophobicContact CB-CB 4.13Å; V288-A310 HydrophobicContact CG1-CB 3.86Å
289	G	98	Very high	97.3	Very high	7 Å²	7	56 Å²	56	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-71	-36.8	177.6	0	0	0	0	0	112.7	Q285 M286 V287	Q285-G289 PolarHBondContact O-N 3.07Å; M286-G289 PolarHBondContact O-N 2.89Å; V287-G289 VanDerWaalsContact C-N 3.3Å; V287-G289 PolarHBondContact O-N 3.45Å
290	L	97.8	Very high	97.4	Very high	10 Å²	10	55 Å²	55	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-73.4	-40.8	179.4	-68.8	167.2	0	0	0	112.3	F255 K259 N262 M286 V287 V314 L321	F255-L290 HydrophobicContact CB-CD1 3.83Å; F255-L290 HydrophobicContact CD1-CD1 4.16Å; F255-L290 HydrophobicContact CG-CD1 4.33Å; K259-L290 HydrophobicContact CB-CD2 4.16Å; K259-L290 HydrophobicContact CD-CD2 4.17Å; K259-L290 HydrophobicContact CG-CD2 4.08Å; N262-L290 WeakPolarHBondContact CB-O 3.31Å; N262-L290 PolarHBondContact OD1-O 2.89Å; M286-L290 WeakPolarHBondContact O-CB 3.33Å; M286-L290 WeakPolarHBondContact O-CD1 3.27Å; M286-L290 WeakPolarHBondContact O-CG 3.31Å; M286-L290 PolarHBondContact O-N 2.79Å; V287-L290 PolarHBondContact O-N 2.74Å; L290-V314 HydrophobicContact CD2-CG1 3.77Å; L290-V314 HydrophobicContact CD2-CG2 4.36Å; L290-V314 HydrophobicContact CG-CG1 4.44Å; L290-V314 HydrophobicContact CG-CG2 4.15Å; L290-L321 HydrophobicContact CD1-CD2 4.48Å; L290-L321 HydrophobicContact CD2-CD1 3.93Å; L290-L321 HydrophobicContact CD2-CD2 4.41Å
291	V	97.4	Very high	97.4	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	27%	0.27	C	S	.	.	S	Bend	trans	-113.8	69.9	179	-166.6	0	0	0	0	108.5	V258 L261 L267 V287 V288 R293 L294	V258-V291 HydrophobicContact CG1-CG2 3.97Å; L261-V291 HydrophobicContact CB-CG2 4.11Å; L267-V291 HydrophobicContact CD2-CG1 3.88Å; V287-V291 PolarHBondContact O-N 2.72Å; V288-V291 CarbonylContact O-C 3.15Å; V291-R293 PolarHBondContact O-N 3.25Å; V291-L294 HydrophobicContact CB-CD1 3.92Å; V291-L294 HydrophobicContact CB-CG 4.1Å; V291-L294 HydrophobicContact CG1-CD1 4.09Å; V291-L294 HydrophobicContact CG1-CD2 4.19Å; V291-L294 HydrophobicContact CG1-CG 3.8Å; V291-L294 WeakPolarHBondContact O-CG 3.45Å; V291-L294 PolarHBondContact O-N 3.16Å
292	N	95	Very high	97.5	Very high	42 Å²	42	54.2 Å²	54.2	23%	0.225	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.5	-166.3	64.2	33	0	0	0	115.3	V288 R307 M311	V288-N292 WeakPolarHBondContact O-CA 3.47Å; V288-N292 PolarHBondContact O-N 2.91Å; N292-R307 HydrophobicContact CB-CG 4.26Å; N292-R307 WeakPolarHBondContact O-CD 3.24Å; N292-R307 WeakPolarHBondContact O-CG 3.31Å; N292-R307 PolarHBondContact O-NE 3.27Å; N292-M311 HydrophobicContact CB-CG 3.9Å; N292-M311 HydrophobicContact CB-SD 3.7Å
293	R	95.2	Very high	97.6	Very high	144 Å²	144	53.7 Å²	53.7	54%	0.543	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.6	178.5	-60.2	177.3	-170.9	-93.5	-3	113.8	V291 Q295	V291-R293 PolarHBondContact O-N 3.25Å; R293-Q295 PolarHBondContact O-N 2.95Å
294	L	97.8	Very high	97.4	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	26%	0.259	C	S	.	.			trans	-59.4	136.2	-176.8	-68.2	175.4	0	0	0	112.5	L267 L270 V287 V291 L297 R307	L267-L294 HydrophobicContact CD2-CD2 4.17Å; L267-L294 HydrophobicContact CG-CD2 3.94Å; L270-L294 HydrophobicContact CB-CD1 4.04Å; L270-L294 HydrophobicContact CB-CD2 3.66Å; L270-L294 HydrophobicContact CD2-CD1 4Å; V287-L294 HydrophobicContact CG1-CD1 4.23Å; V291-L294 HydrophobicContact CB-CD1 3.92Å; V291-L294 HydrophobicContact CB-CG 4.1Å; V291-L294 HydrophobicContact CG1-CD1 4.09Å; V291-L294 HydrophobicContact CG1-CD2 4.19Å; V291-L294 HydrophobicContact CG1-CG 3.8Å; V291-L294 WeakPolarHBondContact O-CG 3.45Å; V291-L294 PolarHBondContact O-N 3.16Å; L294-L297 HydrophobicContact CD1-CD1 4.49Å; L294-R307 PolarHBondContact O-NH2 2.79Å
295	Q	98	Very high	97.2	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	28%	0.284	S	S	.	.	S	Bend	trans	-97.4	-35.3	171.1	-62.5	-173.2	-1.3	0	0	111.6	K268 F269 R293 R301 V302	K268-Q295 HydrophobicContact CB-CB 4.41Å; K268-Q295 HydrophobicContact CB-CG 4.13Å; K268-Q295 HydrophobicContact CG-CG 4.21Å; K268-Q295 PolarHBondContact O-N 2.85Å; F269-Q295 HydrophobicContact CE1-CB 4.42Å; R293-Q295 PolarHBondContact O-N 2.95Å; Q295-R301 CarbonylContact O-C 3.49Å; Q295-R301 WeakPolarHBondContact O-CA 3.44Å; Q295-V302 PolarHBondContact O-N 3.18Å
296	R	98.5	Very high	97.2	Very high	105 Å²	105	61.7 Å²	61.7	40%	0.396	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.4	170.3	-49.1	172.7	88.5	162.6	1.8	110.2	K268 F269 L270 K299 K300	K268-R296 PolarHBondContact O-N 3.15Å; K268-R296 VanDerWaalsContact O-N 3.15Å; F269-R296 HydrophobicContact CD1-CB 3.88Å; F269-R296 HydrophobicContact CD1-CG 3.81Å; F269-R296 HydrophobicContact CE1-CB 4.39Å; F269-R296 HydrophobicContact CE1-CG 3.8Å; L270-R296 PolarHBondContact N-O 3.12Å; R296-K299 PolarHBondContact NE-O 3.01Å; R296-K299 PolarHBondContact NH2-O 2.7Å; R296-K299 VanDerWaalsContact NH2-O 3.12Å; R296-K300 WeakPolarHBondContact CA-O 3.15Å
297	L	98.6	Very high	97.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.7	169.4	173.7	63.7	0	0	0	107.4	L270 L272 Y283 R284 V287 V288 L294 K300 V302	L270-L297 HydrophobicContact CB-CD1 4.29Å; L270-L297 HydrophobicContact CD2-CD1 4.23Å; L270-L297 HydrophobicContact CG-CD1 4.19Å; L270-L297 WeakPolarHBondContact O-CA 3.49Å; L272-L297 HydrophobicContact CD1-CD1 4.49Å; Y283-L297 HydrophobicContact CE1-CD2 4.5Å; R284-L297 HydrophobicContact CG-CD2 4.21Å; R284-L297 PolarHBondContact NH1-O 3.34Å; R284-L297 VanDerWaalsContact NH1-O 3.14Å; V287-L297 HydrophobicContact CB-CD2 3.81Å; V287-L297 HydrophobicContact CG1-CD1 3.78Å; V287-L297 HydrophobicContact CG1-CD2 3.68Å; V287-L297 HydrophobicContact CG1-CG 4.38Å; V288-L297 HydrophobicContact CG2-CB 4.48Å; V288-L297 HydrophobicContact CG2-CD2 3.92Å; L294-L297 HydrophobicContact CD1-CD1 4.49Å; L297-K300 PolarHBondContact N-O 3.2Å; L297-K300 WeakPolarHBondContact O-CB 3.42Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-K300 VanDerWaalsContact O-N 3.09Å; L297-V302 HydrophobicContact CB-CG2 4.3Å
298	D	98.3	Very high	97	Very high	24 Å²	24	67.3 Å²	67.3	13%	0.128	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	54.3	-179.8	-54.9	-41.4	0	0	0	112.1	L270 S271 L272 V273 Y283 K300	L270-D298 PolarHBondContact O-N 3.25Å; S271-D298 WeakPolarHBondContact CA-OD1 3.32Å; L272-D298 PolarHBondContact N-OD1 3.16Å; V273-D298 HydrophobicContact CG2-CB 3.68Å; V273-D298 WeakPolarHBondContact CG2-OD1 2.95Å; V273-D298 PolarHBondContact N-OD1 2.98Å; Y283-D298 VanDerWaalsContact CE1-OD2 3.24Å; Y283-D298 WeakPolarHBondContact CE1-OD2 3.41Å; Y283-D298 PolarHBondContact OH-OD2 3.31Å; D298-K300 PolarHBondContact O-N 3.12Å
299	K	96.6	Very high	96.9	Very high	138 Å²	138	71 Å²	71	60%	0.6	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-11.4	-174.6	-56.2	-178.1	178.1	-177.3	0	115.2	R296	R296-K299 PolarHBondContact NE-O 3.01Å; R296-K299 PolarHBondContact NH2-O 2.7Å; R296-K299 VanDerWaalsContact NH2-O 3.12Å
300	K	97.9	Very high	96.9	Very high	142 Å²	142	70.7 Å²	70.7	62%	0.617	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.3	-178.6	-64.2	174.3	-175.7	173.4	0	112.3	R284 R296 L297 D298	R284-K300 PolarHBondContact NH2-O 2.97Å; R284-K300 VanDerWaalsContact NH2-O 3.12Å; R296-K300 WeakPolarHBondContact CA-O 3.15Å; L297-K300 PolarHBondContact N-O 3.2Å; L297-K300 WeakPolarHBondContact O-CB 3.42Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-K300 VanDerWaalsContact O-N 3.09Å; D298-K300 PolarHBondContact O-N 3.12Å
301	R	98.1	Very high	96.9	Very high	200 Å²	200	73.8 Å²	73.8	76%	0.755	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	143	176.4	-173.4	177.8	179	-175.4	1.3	112.3	R284 Q295 P303	R284-R301 PolarHBondContact NH2-O 3.13Å; Q295-R301 CarbonylContact O-C 3.49Å; Q295-R301 WeakPolarHBondContact O-CA 3.44Å; R301-P303 WeakPolarHBondContact O-CD 3.33Å
302	V	97.9	Very high	96.9	Very high	4 Å²	4	79 Å²	79	2%	0.024	37%	0.37	C	S	.	.			trans	-105.4	103.4	173.4	179.4	0	0	0	0	108.8	V288 Q295 L297 F306 R307	V288-V302 HydrophobicContact CG1-CG1 3.55Å; V288-V302 HydrophobicContact CG2-CG1 4.13Å; V288-V302 HydrophobicContact CG2-CG2 3.79Å; Q295-V302 PolarHBondContact O-N 3.18Å; L297-V302 HydrophobicContact CB-CG2 4.3Å; V302-F306 HydrophobicContact CG1-CD1 4.32Å; V302-R307 HydrophobicContact CG1-CB 4.45Å
303	P	96.6	Very high	96.9	Very high	68 Å²	68	79 Å²	79	44%	0.442	37%	0.368	S	S	.	.			trans	-69.6	150	174.4	-18.3	32.4	0	0	0	112	R301 M305 F306 R307	R301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-M305 VanDerWaalsContact C-N 3.31Å; P303-M305 PolarHBondContact O-N 3.24Å; P303-F306 WeakPolarHBondContact O-CB 3.46Å; P303-F306 PolarHBondContact O-N 3.36Å; P303-R307 PolarHBondContact O-N 3.22Å; P303-R307 VanDerWaalsContact O-N 3.12Å
304	D	94.3	Very high	97	Very high	111 Å²	111	73.1 Å²	73.1	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-58.5	-40.4	-178.5	-59.3	-27.5	0	0	0	113	F306 R307 S308	D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.85Å; D304-R307 WeakPolarHBondContact O-CB 3.48Å; D304-R307 PolarHBondContact O-N 2.98Å; D304-R307 VanDerWaalsContact O-N 3.15Å; D304-R307 IonicContact OD1-CZ 3.47Å; D304-R307 IonicContact OD1-NH1 3.67Å; D304-R307 PolarHBondContact OD1-NH1 2.98Å; D304-R307 IonicContact OD1-NH2 3.45Å; D304-S308 PolarHBondContact O-N 3.45Å; D304-S308 PolarHBondContact O-OG 3.31Å
305	M	94.2	Very high	96.9	Very high	152 Å²	152	78 Å²	78	75%	0.749	38%	0.379	S	S	*	.	H	α-helix	trans	-60.3	-35.9	176.7	-70.1	-59	-60.6	0	0	112.7	P303 T309	P303-M305 VanDerWaalsContact C-N 3.31Å; P303-M305 PolarHBondContact O-N 3.24Å; M305-T309 PolarHBondContact O-N 2.92Å; M305-T309 PolarHBondContact O-OG1 2.91Å
306	F	96.9	Very high	96.8	Very high	48 Å²	48	80.4 Å²	80.4	21%	0.211	39%	0.387	C	S	.	.	H	α-helix	trans	-74.7	-33.6	177.8	-177.8	-100.6	0	0	0	111.6	R284 Q285 V288 V302 P303 D304 T309 A310	R284-F306 HydrophobicContact CG-CE1 3.96Å; R284-F306 HydrophobicContact CG-CZ 3.96Å; Q285-F306 HydrophobicContact CB-CZ 4.46Å; Q285-F306 HydrophobicContact CG-CE2 4.02Å; Q285-F306 HydrophobicContact CG-CZ 3.76Å; V288-F306 HydrophobicContact CB-CD1 4.48Å; V288-F306 HydrophobicContact CB-CE1 4.04Å; V288-F306 HydrophobicContact CG1-CD1 4.05Å; V288-F306 HydrophobicContact CG1-CE1 4.1Å; V288-F306 HydrophobicContact CG2-CD1 4.48Å; V288-F306 HydrophobicContact CG2-CE1 3.99Å; V302-F306 HydrophobicContact CG1-CD1 4.32Å; P303-F306 WeakPolarHBondContact O-CB 3.46Å; P303-F306 PolarHBondContact O-N 3.36Å; D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.85Å; F306-T309 PolarHBondContact O-N 3.08Å; F306-T309 PolarHBondContact O-OG1 3.07Å; F306-A310 WeakPolarHBondContact O-CB 3.13Å; F306-A310 PolarHBondContact O-N 2.99Å
307	R	96.2	Very high	96.5	Very high	54 Å²	54	78.1 Å²	78.1	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-46.9	175.6	-176.9	-169.9	-65.4	117.7	9.6	111.4	V288 N292 L294 V302 P303 D304 T309 A310 M311	V288-R307 HydrophobicContact CG1-CB 4.46Å; N292-R307 HydrophobicContact CB-CG 4.26Å; N292-R307 WeakPolarHBondContact O-CD 3.24Å; N292-R307 WeakPolarHBondContact O-CG 3.31Å; N292-R307 PolarHBondContact O-NE 3.27Å; L294-R307 PolarHBondContact O-NH2 2.79Å; V302-R307 HydrophobicContact CG1-CB 4.45Å; P303-R307 PolarHBondContact O-N 3.22Å; P303-R307 VanDerWaalsContact O-N 3.12Å; D304-R307 WeakPolarHBondContact O-CB 3.48Å; D304-R307 PolarHBondContact O-N 2.98Å; D304-R307 VanDerWaalsContact O-N 3.15Å; D304-R307 IonicContact OD1-CZ 3.47Å; D304-R307 IonicContact OD1-NH1 3.67Å; D304-R307 PolarHBondContact OD1-NH1 2.98Å; D304-R307 IonicContact OD1-NH2 3.45Å; R307-T309 PolarHBondContact O-N 2.82Å; R307-A310 PolarHBondContact O-N 3.07Å; R307-M311 HydrophobicContact CG-SD 4.27Å; R307-M311 WeakPolarHBondContact O-CG 3.32Å; R307-M311 PolarHBondContact O-N 3.09Å
308	S	95.7	Very high	96.3	Very high	67 Å²	67	81.1 Å²	81.1	47%	0.469	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-45.7	179.5	-57.7	0	0	0	0	112	D304 A310 M311 E312	D304-S308 PolarHBondContact O-N 3.45Å; D304-S308 PolarHBondContact O-OG 3.31Å; S308-A310 VanDerWaalsContact C-N 3.35Å; S308-A310 PolarHBondContact O-N 2.9Å; S308-M311 PolarHBondContact O-N 2.83Å; S308-E312 PolarHBondContact O-N 3.03Å; S308-E312 VanDerWaalsContact O-N 3.13Å
309	T	96.8	Very high	96	Very high	77 Å²	77	83.7 Å²	83.7	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-33.9	178.5	58.1	0	0	0	0	112.5	M305 F306 R307 E312 F313	M305-T309 PolarHBondContact O-N 2.92Å; M305-T309 PolarHBondContact O-OG1 2.91Å; F306-T309 PolarHBondContact O-N 3.08Å; F306-T309 PolarHBondContact O-OG1 3.07Å; R307-T309 PolarHBondContact O-N 2.82Å; T309-E312 PolarHBondContact O-N 3.43Å; T309-F313 WeakPolarHBondContact O-CB 3.34Å; T309-F313 PolarHBondContact O-N 3.18Å
310	A	97.8	Very high	95.8	Very high	1 Å²	1	79.3 Å²	79.3	1%	0.008	39%	0.393	C	S	.	.	H	α-helix	trans	-65.5	-41.1	174.1	0	0	0	0	0	112.6	Q285 V288 F306 R307 S308 F313 V314	Q285-A310 WeakPolarHBondContact O-CB 3.44Å; V288-A310 HydrophobicContact CB-CB 4.13Å; V288-A310 HydrophobicContact CG1-CB 3.86Å; F306-A310 WeakPolarHBondContact O-CB 3.13Å; F306-A310 PolarHBondContact O-N 2.99Å; R307-A310 PolarHBondContact O-N 3.07Å; S308-A310 VanDerWaalsContact C-N 3.35Å; S308-A310 PolarHBondContact O-N 2.9Å; A310-F313 WeakPolarHBondContact O-CB 3.49Å; A310-F313 PolarHBondContact O-N 2.81Å; A310-V314 WeakPolarHBondContact O-CG2 3.49Å; A310-V314 PolarHBondContact O-N 2.56Å
311	M	96.7	Very high	95.5	Very high	76 Å²	76	73.2 Å²	73.2	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-42.4	175.1	-71	174.8	64.3	0	0	112.1	N292 R307 S308 F313 V314 T315	N292-M311 HydrophobicContact CB-CG 3.9Å; N292-M311 HydrophobicContact CB-SD 3.7Å; R307-M311 HydrophobicContact CG-SD 4.27Å; R307-M311 WeakPolarHBondContact O-CG 3.32Å; R307-M311 PolarHBondContact O-N 3.09Å; S308-M311 PolarHBondContact O-N 2.83Å; M311-F313 VanDerWaalsContact C-N 3.29Å; M311-F313 PolarHBondContact O-N 3.13Å; M311-V314 PolarHBondContact O-N 2.77Å; M311-T315 PolarHBondContact O-N 3.19Å; M311-T315 VanDerWaalsContact O-N 3.11Å; M311-T315 PolarHBondContact O-OG1 3.02Å
312	E	96.9	Very high	95.2	Very high	112 Å²	112	68.9 Å²	68.9	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-38.3	172.5	-72.2	-179.7	-164.2	0	0	111.8	S308 T309 T315 K316	S308-E312 PolarHBondContact O-N 3.03Å; S308-E312 VanDerWaalsContact O-N 3.13Å; T309-E312 PolarHBondContact O-N 3.43Å; E312-T315 PolarHBondContact O-N 3.1Å; E312-K316 WeakPolarHBondContact O-CG 3.29Å; E312-K316 PolarHBondContact O-N 3.42Å; E312-K316 VanDerWaalsContact O-N 3.12Å
313	F	96.9	Very high	94.9	Very high	42 Å²	42	74.1 Å²	74.1	18%	0.184	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-49	176.8	-174.5	-85.5	0	0	0	111.5	N282 Q285 M286 T309 A310 M311 T315 K316 H317	N282-F313 HydrophobicContact CB-CE1 3.91Å; N282-F313 HydrophobicContact CB-CZ 3.75Å; Q285-F313 HydrophobicContact CB-CD1 4.32Å; Q285-F313 HydrophobicContact CB-CG 4.5Å; M286-F313 HydrophobicContact CE-CD1 4.09Å; M286-F313 HydrophobicContact CE-CE1 4.3Å; M286-F313 HydrophobicContact CG-CD1 4.37Å; M286-F313 HydrophobicContact CG-CE1 3.94Å; M286-F313 HydrophobicContact SD-CD1 4.36Å; M286-F313 HydrophobicContact SD-CE1 3.97Å; T309-F313 WeakPolarHBondContact O-CB 3.34Å; T309-F313 PolarHBondContact O-N 3.18Å; A310-F313 WeakPolarHBondContact O-CB 3.49Å; A310-F313 PolarHBondContact O-N 2.81Å; M311-F313 VanDerWaalsContact C-N 3.29Å; M311-F313 PolarHBondContact O-N 3.13Å; F313-T315 VanDerWaalsContact C-N 3.28Å; F313-T315 PolarHBondContact O-N 2.9Å; F313-K316 PolarHBondContact O-N 2.96Å; F313-K316 VanDerWaalsContact O-N 3.11Å; F313-H317 AromaticContact CD1-ND1 3.75Å; F313-H317 AromaticContact CD2-CE1 3.59Å; F313-H317 AromaticContact CD2-ND1 3.79Å; F313-H317 HydrophobicContact CE1-CB 4.39Å; F313-H317 AromaticContact CE1-CE1 4Å; F313-H317 AromaticContact CE1-CG 3.95Å; F313-H317 AromaticContact CE1-ND1 3.63Å; F313-H317 AromaticContact CE2-CE1 3.25Å; F313-H317 WeakPolarHBondContact CE2-CE1 3.32Å; F313-H317 AromaticContact CE2-ND1 3.69Å; F313-H317 AromaticContact CE2-NE2 3.85Å; F313-H317 AromaticContact CG-ND1 3.82Å; F313-H317 AromaticContact CZ-CE1 3.46Å; F313-H317 VanDerWaalsContact CZ-CE1 3.46Å; F313-H317 WeakPolarHBondContact CZ-CE1 3.16Å; F313-H317 AromaticContact CZ-ND1 3.59Å; F313-H317 AromaticContact CZ-NE2 3.8Å; F313-H317 PolarHBondContact O-N 3.33Å; F313-H317 VanDerWaalsContact O-N 3.12Å; F313-H317 PolarHBondContact O-ND1 2.93Å
314	V	97	Very high	94.7	Very high	20 Å²	20	71.1 Å²	71.1	12%	0.121	36%	0.36	C	S	.	.	H	α-helix	trans	-56.9	-43.5	175.2	174.7	0	0	0	0	111.5	M286 L290 A310 M311 K316 H317 T318	M286-V314 HydrophobicContact CE-CB 3.86Å; M286-V314 HydrophobicContact CE-CG1 4.19Å; M286-V314 HydrophobicContact CE-CG2 3.29Å; L290-V314 HydrophobicContact CD2-CG1 3.77Å; L290-V314 HydrophobicContact CD2-CG2 4.36Å; L290-V314 HydrophobicContact CG-CG1 4.44Å; L290-V314 HydrophobicContact CG-CG2 4.15Å; A310-V314 WeakPolarHBondContact O-CG2 3.49Å; A310-V314 PolarHBondContact O-N 2.56Å; M311-V314 PolarHBondContact O-N 2.77Å; V314-K316 PolarHBondContact O-N 2.86Å; V314-H317 CarbonylContact O-C 3.39Å; V314-H317 PolarHBondContact O-N 3.37Å; V314-H317 VanDerWaalsContact O-N 3.13Å; V314-T318 PolarHBondContact O-N 3.3Å
315	T	95.3	Very high	94.1	Very high	105 Å²	105	70.3 Å²	70.3	64%	0.644	36%	0.355	S	S	*	.	H	α-helix	trans	-63.2	-29.9	-179.4	-53.2	0	0	0	0	112.1	M311 E312 F313	M311-T315 PolarHBondContact O-N 3.19Å; M311-T315 VanDerWaalsContact O-N 3.11Å; M311-T315 PolarHBondContact O-OG1 3.02Å; E312-T315 PolarHBondContact O-N 3.1Å; F313-T315 VanDerWaalsContact C-N 3.28Å; F313-T315 PolarHBondContact O-N 2.9Å
316	K	95	Very high	93.7	Very high	143 Å²	143	67.5 Å²	67.5	62%	0.622	34%	0.343	S	S	*	.	H	α-helix	trans	-85.7	-15.4	177.4	-71.7	172.9	-177.4	166.7	0	114.2	E312 F313 V314	E312-K316 WeakPolarHBondContact O-CG 3.29Å; E312-K316 PolarHBondContact O-N 3.42Å; E312-K316 VanDerWaalsContact O-N 3.12Å; F313-K316 PolarHBondContact O-N 2.96Å; F313-K316 VanDerWaalsContact O-N 3.11Å; V314-K316 PolarHBondContact O-N 2.86Å
317	H	94.1	Very high	92.9	Very high	57 Å²	57	70.2 Å²	70.2	26%	0.264	36%	0.356	S	S	.	.			trans	-124.2	40	-174.9	-59.8	84.6	0	0	0	111.4	F313 V314 E319 I320	F313-H317 AromaticContact CD1-ND1 3.75Å; F313-H317 AromaticContact CD2-CE1 3.59Å; F313-H317 AromaticContact CD2-ND1 3.79Å; F313-H317 HydrophobicContact CE1-CB 4.39Å; F313-H317 AromaticContact CE1-CE1 4Å; F313-H317 AromaticContact CE1-CG 3.95Å; F313-H317 AromaticContact CE1-ND1 3.63Å; F313-H317 AromaticContact CE2-CE1 3.25Å; F313-H317 WeakPolarHBondContact CE2-CE1 3.32Å; F313-H317 AromaticContact CE2-ND1 3.69Å; F313-H317 AromaticContact CE2-NE2 3.85Å; F313-H317 AromaticContact CG-ND1 3.82Å; F313-H317 AromaticContact CZ-CE1 3.46Å; F313-H317 VanDerWaalsContact CZ-CE1 3.46Å; F313-H317 WeakPolarHBondContact CZ-CE1 3.16Å; F313-H317 AromaticContact CZ-ND1 3.59Å; F313-H317 AromaticContact CZ-NE2 3.8Å; F313-H317 PolarHBondContact O-N 3.33Å; F313-H317 VanDerWaalsContact O-N 3.12Å; F313-H317 PolarHBondContact O-ND1 2.93Å; V314-H317 CarbonylContact O-C 3.39Å; V314-H317 PolarHBondContact O-N 3.37Å; V314-H317 VanDerWaalsContact O-N 3.13Å; H317-E319 WeakPolarHBondContact CA-OE1 3.18Å; H317-E319 WeakPolarHBondContact CA-OE2 3.44Å; H317-E319 IonicContact CD2-OE1 3.52Å; H317-E319 PolarHBondContact O-N 2.85Å; H317-I320 HydrophobicContact CB-CD1 3.88Å; H317-I320 HydrophobicContact CB-CG1 4.33Å; H317-I320 PolarHBondContact O-N 2.82Å
318	T	92.6	Very high	92	Very high	62 Å²	62	69.1 Å²	69.1	38%	0.38	36%	0.359	S	S	.	.	H	α-helix	trans	-64.6	-25	178.8	52.1	0	0	0	0	111.7	V314 I320 L321 E322	V314-T318 PolarHBondContact O-N 3.3Å; T318-I320 PolarHBondContact O-N 3.24Å; T318-I320 VanDerWaalsContact O-N 3.16Å; T318-L321 PolarHBondContact O-N 2.71Å; T318-E322 PolarHBondContact O-N 3.28Å
319	E	93.4	Very high	90.6	Very high	79 Å²	79	70.2 Å²	70.2	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-56.7	-29.2	176.7	65.5	-82.3	-178.3	0	0	113.3	H317 L321 E322 Q323	H317-E319 WeakPolarHBondContact CA-OE1 3.18Å; H317-E319 WeakPolarHBondContact CA-OE2 3.44Å; H317-E319 IonicContact CD2-OE1 3.52Å; H317-E319 PolarHBondContact O-N 2.85Å; E319-L321 PolarHBondContact O-N 3.05Å; E319-E322 PolarHBondContact O-N 2.99Å; E319-Q323 WeakPolarHBondContact O-CB 3.47Å; E319-Q323 WeakPolarHBondContact O-CG 3.36Å; E319-Q323 PolarHBondContact O-N 3.43Å
320	I	92.4	Very high	89.2	Confident	45 Å²	45	71 Å²	71	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-43.2	177.6	-62.2	175.9	0	0	0	110.4	F255 M286 H317 T318 E324	F255-I320 HydrophobicContact CD2-CG2 3.8Å; F255-I320 HydrophobicContact CE2-CG2 4.32Å; M286-I320 HydrophobicContact SD-CD1 3.82Å; H317-I320 HydrophobicContact CB-CD1 3.88Å; H317-I320 HydrophobicContact CB-CG1 4.33Å; H317-I320 PolarHBondContact O-N 2.82Å; T318-I320 PolarHBondContact O-N 3.24Å; T318-I320 VanDerWaalsContact O-N 3.16Å; I320-E324 WeakPolarHBondContact O-CG 3.37Å; I320-E324 PolarHBondContact O-N 2.76Å; I320-E324 VanDerWaalsContact O-N 3.14Å
321	L	91.3	Very high	87.6	Confident	14 Å²	14	76.2 Å²	76.2	7%	0.073	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-38.6	178.2	-64.4	175.6	0	0	0	111.5	F255 K259 L290 T318 E319 E324 L325	F255-L321 HydrophobicContact CB-CD2 3.76Å; K259-L321 HydrophobicContact CD-CD1 3.9Å; L290-L321 HydrophobicContact CD1-CD2 4.48Å; L290-L321 HydrophobicContact CD2-CD1 3.93Å; L290-L321 HydrophobicContact CD2-CD2 4.41Å; T318-L321 PolarHBondContact O-N 2.71Å; E319-L321 PolarHBondContact O-N 3.05Å; L321-E324 PolarHBondContact O-N 3.35Å; L321-L325 VanDerWaalsContact O-CG 3.32Å; L321-L325 WeakPolarHBondContact O-CG 3.5Å; L321-L325 PolarHBondContact O-N 2.74Å; L321-L325 VanDerWaalsContact O-N 3.12Å
322	E	91.4	Very high	85.8	Confident	110 Å²	110	78.3 Å²	78.3	51%	0.514	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-40.8	177.4	-67.8	172.4	-173.3	0	0	111.4	T318 E319 L325 N326	T318-E322 PolarHBondContact O-N 3.28Å; E319-E322 PolarHBondContact O-N 2.99Å; E322-L325 PolarHBondContact O-N 2.66Å; E322-N326 PolarHBondContact O-N 2.97Å; E322-N326 PolarHBondContact O-ND2 3.18Å
323	Q	91.4	Very high	83.9	Confident	113 Å²	113	80.6 Å²	80.6	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-47.1	173.6	-74.9	170.6	3.2	0	0	111.9	E319 L325 N326 E327	E319-Q323 WeakPolarHBondContact O-CB 3.47Å; E319-Q323 WeakPolarHBondContact O-CG 3.36Å; E319-Q323 PolarHBondContact O-N 3.43Å; Q323-L325 VanDerWaalsContact C-N 3.25Å; Q323-L325 PolarHBondContact O-N 3.39Å; Q323-N326 PolarHBondContact O-N 2.98Å; Q323-E327 WeakPolarHBondContact O-CG 3.25Å; Q323-E327 PolarHBondContact O-N 3.18Å
324	E	91.8	Very high	81.9	Confident	6 Å²	6	85.1 Å²	85.1	3%	0.028	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-31.1	179.5	-76.4	-176.4	167.3	0	0	113.7	K254 F255 S256 K280 I320 L321 A328	K254-E324 WeakPolarHBondContact CA-OE1 3.3Å; K254-E324 HydrophobicContact CB-CG 4.49Å; K254-E324 WeakPolarHBondContact CB-OE2 3.34Å; K254-E324 HydrophobicContact CD-CB 4.29Å; K254-E324 HydrophobicContact CG-CG 4.32Å; K254-E324 PolarHBondContact NZ-O 2.85Å; F255-E324 VanDerWaalsContact N-CD 3.3Å; F255-E324 PolarHBondContact N-OE1 3.13Å; F255-E324 PolarHBondContact N-OE2 3.1Å; S256-E324 WeakPolarHBondContact CB-OE2 3.42Å; S256-E324 PolarHBondContact N-OE2 3.08Å; S256-E324 PolarHBondContact OG-OE2 3.15Å; K280-E324 IonicContact NZ-OE1 3.54Å; K280-E324 PolarHBondContact NZ-OE1 3.16Å; I320-E324 WeakPolarHBondContact O-CG 3.37Å; I320-E324 PolarHBondContact O-N 2.76Å; I320-E324 VanDerWaalsContact O-N 3.14Å; L321-E324 PolarHBondContact O-N 3.35Å; E324-A328 PolarHBondContact O-N 2.85Å
325	L	83.1	Confident	79.7	Confident	93 Å²	93	86.8 Å²	86.8	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-72.3	-49.9	173.8	-73.1	167	0	0	0	110.9	L321 E322 Q323 E327 A328 D329	L321-L325 VanDerWaalsContact O-CG 3.32Å; L321-L325 WeakPolarHBondContact O-CG 3.5Å; L321-L325 PolarHBondContact O-N 2.74Å; L321-L325 VanDerWaalsContact O-N 3.12Å; E322-L325 PolarHBondContact O-N 2.66Å; Q323-L325 VanDerWaalsContact C-N 3.25Å; Q323-L325 PolarHBondContact O-N 3.39Å; L325-E327 VanDerWaalsContact C-N 3.27Å; L325-E327 PolarHBondContact O-N 2.87Å; L325-A328 WeakPolarHBondContact O-CA 3.43Å; L325-A328 WeakPolarHBondContact O-CB 3.44Å; L325-A328 PolarHBondContact O-N 2.87Å; L325-D329 PolarHBondContact O-N 3.04Å; L325-D329 VanDerWaalsContact O-N 3.11Å
326	N	84.6	Confident	77.6	Confident	94 Å²	94	84.8 Å²	84.8	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-37.3	178.1	-66.8	-23.2	0	0	0	112.1	E322 Q323 A328 D329 I330	E322-N326 PolarHBondContact O-N 2.97Å; E322-N326 PolarHBondContact O-ND2 3.18Å; Q323-N326 PolarHBondContact O-N 2.98Å; N326-A328 VanDerWaalsContact C-N 3.28Å; N326-A328 PolarHBondContact O-N 2.88Å; N326-D329 PolarHBondContact O-N 2.87Å; N326-I330 VanDerWaalsContact O-CG1 3.26Å; N326-I330 WeakPolarHBondContact O-CG1 3.46Å; N326-I330 PolarHBondContact O-N 2.88Å
327	E	81.8	Confident	75.9	Confident	104 Å²	104	85.5 Å²	85.5	49%	0.486	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-33.4	173.8	-76.4	177.1	-177	0	0	112.6	Q323 L325 I331	Q323-E327 WeakPolarHBondContact O-CG 3.25Å; Q323-E327 PolarHBondContact O-N 3.18Å; L325-E327 VanDerWaalsContact C-N 3.27Å; L325-E327 PolarHBondContact O-N 2.87Å; E327-I331 WeakPolarHBondContact O-CD1 3.34Å; E327-I331 VanDerWaalsContact O-CG1 3.25Å; E327-I331 WeakPolarHBondContact O-CG1 3.41Å; E327-I331 PolarHBondContact O-N 2.82Å
328	A	75.4	Confident	74	Confident	32 Å²	32	85.9 Å²	85.9	26%	0.264	44%	0.439	S	S	.	.	H	α-helix	trans	-69	-43.5	176	0	0	0	0	0	111.1	E324 L325 N326 I330 I331 E332	E324-A328 PolarHBondContact O-N 2.85Å; L325-A328 WeakPolarHBondContact O-CA 3.43Å; L325-A328 WeakPolarHBondContact O-CB 3.44Å; L325-A328 PolarHBondContact O-N 2.87Å; N326-A328 VanDerWaalsContact C-N 3.28Å; N326-A328 PolarHBondContact O-N 2.88Å; A328-I330 VanDerWaalsContact C-N 3.34Å; A328-I330 PolarHBondContact O-N 3.13Å; A328-I331 PolarHBondContact O-N 2.94Å; A328-E332 PolarHBondContact O-N 2.77Å
329	D	68.1	Low	72.3	Confident	89 Å²	89	88 Å²	88	48%	0.476	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.8	-63.8	-22.4	0	0	0	111.3	L325 N326 I331 E332 E333	L325-D329 PolarHBondContact O-N 3.04Å; L325-D329 VanDerWaalsContact O-N 3.11Å; N326-D329 PolarHBondContact O-N 2.87Å; D329-I331 VanDerWaalsContact C-N 3.34Å; D329-I331 PolarHBondContact O-N 3.36Å; D329-E332 PolarHBondContact O-N 3.44Å; D329-E333 WeakPolarHBondContact O-CB 3.16Å; D329-E333 WeakPolarHBondContact O-CG 3.14Å; D329-E333 PolarHBondContact O-N 2.74Å
330	I	66.5	Low	70.7	Confident	94 Å²	94	89.2 Å²	89.2	48%	0.482	45%	0.45	S	S	.	.	H	α-helix	trans	-62	-42.4	176.3	-67.8	164.9	0	0	0	111	N326 A328 E333 H334	N326-I330 VanDerWaalsContact O-CG1 3.26Å; N326-I330 WeakPolarHBondContact O-CG1 3.46Å; N326-I330 PolarHBondContact O-N 2.88Å; A328-I330 VanDerWaalsContact C-N 3.34Å; A328-I330 PolarHBondContact O-N 3.13Å; I330-E333 PolarHBondContact O-N 3.44Å; I330-H334 VanDerWaalsContact O-CB 3.32Å; I330-H334 WeakPolarHBondContact O-CB 3.47Å; I330-H334 PolarHBondContact O-N 3.11Å; I330-H334 PolarHBondContact O-ND1 2.91Å
331	I	64.5	Low	69.1	Low	111 Å²	111	92.9 Å²	92.9	57%	0.569	47%	0.466	S	S	*	.	H	α-helix	trans	-64.8	-44	178.8	-68.3	165.6	0	0	0	110.4	E327 A328 D329 H334 I335	E327-I331 WeakPolarHBondContact O-CD1 3.34Å; E327-I331 VanDerWaalsContact O-CG1 3.25Å; E327-I331 WeakPolarHBondContact O-CG1 3.41Å; E327-I331 PolarHBondContact O-N 2.82Å; A328-I331 PolarHBondContact O-N 2.94Å; D329-I331 VanDerWaalsContact C-N 3.34Å; D329-I331 PolarHBondContact O-N 3.36Å; I331-H334 PolarHBondContact O-N 3.21Å; I331-I335 VanDerWaalsContact O-CG1 3.26Å; I331-I335 WeakPolarHBondContact O-CG1 3.5Å; I331-I335 PolarHBondContact O-N 3.04Å
332	E	58.9	Low	67.5	Low	119 Å²	119	96.5 Å²	96.5	56%	0.556	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-35.8	178.8	-73.5	-171	-178.5	0	0	112.9	A328 D329	A328-E332 PolarHBondContact O-N 2.77Å; D329-E332 PolarHBondContact O-N 3.44Å
333	E	57.1	Low	65.8	Low	161 Å²	161	95.8 Å²	95.8	75%	0.752	49%	0.485	S	S	*	.	H	α-helix	trans	-70.8	-29	173.8	-75.1	-170.3	167.4	0	0	113.1	D329 I330	D329-E333 WeakPolarHBondContact O-CB 3.16Å; D329-E333 WeakPolarHBondContact O-CG 3.14Å; D329-E333 PolarHBondContact O-N 2.74Å; I330-E333 PolarHBondContact O-N 3.44Å
334	H	54.7	Low	64.6	Low	137 Å²	137	95 Å²	95	63%	0.634	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	7.5	-177.1	-73.7	72.6	0	0	0	114.6	I330 I331 P336	I330-H334 VanDerWaalsContact O-CB 3.32Å; I330-H334 WeakPolarHBondContact O-CB 3.47Å; I330-H334 PolarHBondContact O-N 3.11Å; I330-H334 PolarHBondContact O-ND1 2.91Å; I331-H334 PolarHBondContact O-N 3.21Å; H334-P336 WeakPolarHBondContact O-CD 3.27Å; H334-P336 VanDerWaalsContact O-N 3.14Å
335	I	49.5	Very low	63.4	Low	55 Å²	55	99.6 Å²	99.6	28%	0.282	51%	0.505	S	S	.	.	S	Bend	trans	-68.2	107.8	167.4	-50.6	-178.7	0	0	0	107.1	I331 M339 K340	I331-I335 VanDerWaalsContact O-CG1 3.26Å; I331-I335 WeakPolarHBondContact O-CG1 3.5Å; I331-I335 PolarHBondContact O-N 3.04Å; I335-M339 HydrophobicContact CG2-CB 3.82Å; I335-K340 HydrophobicContact CB-CG 4.34Å; I335-K340 HydrophobicContact CG2-CD 4.5Å; I335-K340 HydrophobicContact CG2-CG 3.62Å
336	P	53.2	Low	62.3	Low	63 Å²	63	101.5 Å²	101.5	41%	0.409	51%	0.512	S	S	.	.			trans	-58	144.2	178.4	-18.4	32.8	0	0	0	108.9	H334 S338 M339 K340	H334-P336 WeakPolarHBondContact O-CD 3.27Å; H334-P336 VanDerWaalsContact O-N 3.14Å; P336-S338 PolarHBondContact O-N 3.16Å; P336-M339 HydrophobicContact CG-CG 4.46Å; P336-M339 PolarHBondContact O-N 3.03Å; P336-K340 PolarHBondContact O-N 3.13Å
337	E	59.2	Low	61.4	Low	158 Å²	158	103.4 Å²	103.4	74%	0.738	52%	0.516	S	S	*	.	H	α-helix	trans	-50.4	-34.5	175.6	-85.6	-173	158.7	0	0	111.7	M339 K340 E341	E337-M339 VanDerWaalsContact C-N 3.32Å; E337-M339 PolarHBondContact O-N 2.8Å; E337-K340 WeakPolarHBondContact O-CB 3.28Å; E337-K340 PolarHBondContact O-N 3.17Å; E337-E341 PolarHBondContact O-N 3.42Å
338	S	53.4	Low	60.8	Low	65 Å²	65	104 Å²	104	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-34.6	174.7	68.1	0	0	0	0	114	P336 D342	P336-S338 PolarHBondContact O-N 3.16Å; S338-D342 PolarHBondContact O-N 3.37Å
339	M	57.4	Low	60.5	Low	106 Å²	106	108.1 Å²	108.1	52%	0.522	53%	0.53	S	S	.	.	H	α-helix	trans	-78.8	-24.8	174.7	-77.1	-169.2	176.7	0	0	112.6	I335 P336 E337 L343	I335-M339 HydrophobicContact CG2-CB 3.82Å; P336-M339 HydrophobicContact CG-CG 4.46Å; P336-M339 PolarHBondContact O-N 3.03Å; E337-M339 VanDerWaalsContact C-N 3.32Å; E337-M339 PolarHBondContact O-N 2.8Å; M339-L343 WeakPolarHBondContact O-CB 3.34Å; M339-L343 WeakPolarHBondContact O-CD1 3.23Å; M339-L343 WeakPolarHBondContact O-CG 3.44Å; M339-L343 PolarHBondContact O-N 3.19Å
340	K	59.2	Low	60.5	Low	105 Å²	105	107.6 Å²	107.6	46%	0.457	53%	0.53	S	S	.	.	H	α-helix	trans	-72.1	-36.9	170.9	-63.4	-175.4	-176.3	176.3	0	110.4	I335 P336 E337 N344	I335-K340 HydrophobicContact CB-CG 4.34Å; I335-K340 HydrophobicContact CG2-CD 4.5Å; I335-K340 HydrophobicContact CG2-CG 3.62Å; P336-K340 PolarHBondContact O-N 3.13Å; E337-K340 WeakPolarHBondContact O-CB 3.28Å; E337-K340 PolarHBondContact O-N 3.17Å; K340-N344 WeakPolarHBondContact O-CB 3.39Å; K340-N344 PolarHBondContact O-N 3.42Å
341	E	58.3	Low	60.7	Low	122 Å²	122	108.9 Å²	108.9	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-64	-48.8	169.6	-72.5	177.7	166.9	0	0	110.4	E337 L343 N344 E345	E337-E341 PolarHBondContact O-N 3.42Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.83Å; E341-N344 CarbonylContact O-C 3.54Å; E341-N344 PolarHBondContact O-N 3.11Å; E341-E345 WeakPolarHBondContact O-CG 3.26Å; E341-E345 PolarHBondContact O-N 3.11Å
342	D	58.7	Low	61	Low	90 Å²	90	109.4 Å²	109.4	48%	0.481	53%	0.534	S	S	.	.	H	α-helix	trans	-58.2	-40.5	176.6	-66.1	-29.6	0	0	0	112.4	S338 N344 E345 E346	S338-D342 PolarHBondContact O-N 3.37Å; D342-N344 VanDerWaalsContact C-N 3.35Å; D342-E345 PolarHBondContact O-N 3.15Å; D342-E346 WeakPolarHBondContact O-CB 3.42Å; D342-E346 PolarHBondContact O-N 2.89Å
343	L	55.1	Low	61.5	Low	95 Å²	95	110.5 Å²	110.5	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-69.5	-29.8	176.3	-81.9	161.9	0	0	0	113.1	M339 E341 K347	M339-L343 WeakPolarHBondContact O-CB 3.34Å; M339-L343 WeakPolarHBondContact O-CD1 3.23Å; M339-L343 WeakPolarHBondContact O-CG 3.44Å; M339-L343 PolarHBondContact O-N 3.19Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.83Å; L343-K347 WeakPolarHBondContact O-CG 3.27Å; L343-K347 PolarHBondContact O-N 3.3Å
344	N	66.7	Low	62.1	Low	96 Å²	96	108.6 Å²	108.6	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-77.9	-39.7	172.9	-94.3	10.4	0	0	0	111	K340 E341 D342 E346 K347 E348	K340-N344 WeakPolarHBondContact O-CB 3.39Å; K340-N344 PolarHBondContact O-N 3.42Å; E341-N344 CarbonylContact O-C 3.54Å; E341-N344 PolarHBondContact O-N 3.11Å; D342-N344 VanDerWaalsContact C-N 3.35Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.03Å; N344-K347 WeakPolarHBondContact O-CB 3.38Å; N344-K347 PolarHBondContact O-N 3.34Å; N344-K347 VanDerWaalsContact O-N 3.17Å; N344-E348 WeakPolarHBondContact O-CB 3.35Å; N344-E348 WeakPolarHBondContact O-CG 3.28Å; N344-E348 PolarHBondContact O-N 2.81Å
345	E	66.4	Low	62.9	Low	102 Å²	102	107.9 Å²	107.9	48%	0.477	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-37.2	174.1	-74.1	-171.3	-174	0	0	111.7	E341 D342 K349	E341-E345 WeakPolarHBondContact O-CG 3.26Å; E341-E345 PolarHBondContact O-N 3.11Å; D342-E345 PolarHBondContact O-N 3.15Å; E345-K349 WeakPolarHBondContact O-CB 3.41Å; E345-K349 WeakPolarHBondContact O-CG 3.36Å; E345-K349 PolarHBondContact O-N 3.39Å
346	E	60.8	Low	63.8	Low	133 Å²	133	110.9 Å²	110.9	62%	0.621	54%	0.54	S	S	*	.	H	α-helix	trans	-66.2	-37.2	172.1	-85.5	-167.2	164.4	0	0	112	D342 N344 V350	D342-E346 WeakPolarHBondContact O-CB 3.42Å; D342-E346 PolarHBondContact O-N 2.89Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.03Å; E346-V350 VanDerWaalsContact O-CG2 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.27Å; E346-V350 PolarHBondContact O-N 3.02Å
347	K	65.7	Low	64.4	Low	134 Å²	134	109.7 Å²	109.7	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-68.2	-45.6	174.2	-80.2	-179.7	175.6	-175.3	0	112	L343 N344 K349 V350 E351	L343-K347 WeakPolarHBondContact O-CG 3.27Å; L343-K347 PolarHBondContact O-N 3.3Å; N344-K347 WeakPolarHBondContact O-CB 3.38Å; N344-K347 PolarHBondContact O-N 3.34Å; N344-K347 VanDerWaalsContact O-N 3.17Å; K347-K349 VanDerWaalsContact C-N 3.31Å; K347-K349 PolarHBondContact O-N 3.03Å; K347-V350 PolarHBondContact O-N 3.28Å; K347-E351 WeakPolarHBondContact O-CG 3.08Å; K347-E351 PolarHBondContact O-N 2.88Å
348	E	69.1	Low	64.8	Low	116 Å²	116	108.1 Å²	108.1	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-38.4	176.5	-75.6	-177.4	176.1	0	0	110.9	N344 E351 E352	N344-E348 WeakPolarHBondContact O-CB 3.35Å; N344-E348 WeakPolarHBondContact O-CG 3.28Å; N344-E348 PolarHBondContact O-N 2.81Å; E348-E351 PolarHBondContact O-N 3.03Å; E348-E352 WeakPolarHBondContact O-CB 3.38Å; E348-E352 WeakPolarHBondContact O-CG 3.45Å; E348-E352 PolarHBondContact O-N 2.95Å
349	K	67.7	Low	65.2	Low	120 Å²	120	110.5 Å²	110.5	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-39.4	173.2	-81.2	176	-178.1	164.3	0	113.4	E345 K347 E351 E352 E353	E345-K349 WeakPolarHBondContact O-CB 3.41Å; E345-K349 WeakPolarHBondContact O-CG 3.36Å; E345-K349 PolarHBondContact O-N 3.39Å; K347-K349 VanDerWaalsContact C-N 3.31Å; K347-K349 PolarHBondContact O-N 3.03Å; K349-E351 VanDerWaalsContact C-N 3.33Å; K349-E352 PolarHBondContact O-N 2.86Å; K349-E353 WeakPolarHBondContact O-CB 3.3Å; K349-E353 VanDerWaalsContact O-CG 3.31Å; K349-E353 WeakPolarHBondContact O-CG 3.31Å; K349-E353 PolarHBondContact O-N 2.86Å
350	V	67.6	Low	65.3	Low	78 Å²	78	111.6 Å²	111.6	47%	0.473	54%	0.539	S	S	.	.	H	α-helix	trans	-67.4	-38.5	175.9	171.4	0	0	0	0	110.3	E346 K347 E354	E346-V350 VanDerWaalsContact O-CG2 3.24Å; E346-V350 WeakPolarHBondContact O-CG2 3.27Å; E346-V350 PolarHBondContact O-N 3.02Å; K347-V350 PolarHBondContact O-N 3.28Å; V350-E354 WeakPolarHBondContact O-CB 3.44Å; V350-E354 WeakPolarHBondContact O-CG 3.41Å; V350-E354 PolarHBondContact O-N 3.45Å
351	E	71.4	Confident	65.4	Low	120 Å²	120	112.6 Å²	112.6	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-67.2	-42.3	174.4	-72	176.5	-174.3	0	0	111.7	K347 E348 K349 E354 E355	K347-E351 WeakPolarHBondContact O-CG 3.08Å; K347-E351 PolarHBondContact O-N 2.88Å; E348-E351 PolarHBondContact O-N 3.03Å; K349-E351 VanDerWaalsContact C-N 3.33Å; E351-E354 PolarHBondContact O-N 2.99Å; E351-E355 WeakPolarHBondContact O-CG 3.2Å; E351-E355 PolarHBondContact O-N 3.47Å
352	E	70.5	Confident	65.3	Low	122 Å²	122	113.3 Å²	113.3	57%	0.57	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-42	174.4	-78.6	-175.4	165.6	0	0	112	E348 K349 E354 E355 E356	E348-E352 WeakPolarHBondContact O-CB 3.38Å; E348-E352 WeakPolarHBondContact O-CG 3.45Å; E348-E352 PolarHBondContact O-N 2.95Å; K349-E352 PolarHBondContact O-N 2.86Å; E352-E354 VanDerWaalsContact C-N 3.32Å; E352-E354 PolarHBondContact O-N 2.83Å; E352-E355 PolarHBondContact O-N 3.29Å; E352-E356 WeakPolarHBondContact O-CB 3.41Å; E352-E356 WeakPolarHBondContact O-CG 3.46Å; E352-E356 PolarHBondContact O-N 3.32Å
353	E	70.4	Confident	65.3	Low	142 Å²	142	114 Å²	114	66%	0.664	55%	0.551	S	S	*	*	H	α-helix	trans	-65.9	-34.3	175.2	-76.7	-178.1	-178.3	0	0	111.9	K349 G357	K349-E353 WeakPolarHBondContact O-CB 3.3Å; K349-E353 VanDerWaalsContact O-CG 3.31Å; K349-E353 WeakPolarHBondContact O-CG 3.31Å; K349-E353 PolarHBondContact O-N 2.86Å; E353-G357 PolarHBondContact O-N 3.3Å
354	E	68.4	Low	65.4	Low	121 Å²	121	114.1 Å²	114.1	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-69.2	-37.7	172.5	-78.5	-176.7	179.6	0	0	112.1	V350 E351 E352 Q358	V350-E354 WeakPolarHBondContact O-CB 3.44Å; V350-E354 WeakPolarHBondContact O-CG 3.41Å; V350-E354 PolarHBondContact O-N 3.45Å; E351-E354 PolarHBondContact O-N 2.99Å; E352-E354 VanDerWaalsContact C-N 3.32Å; E352-E354 PolarHBondContact O-N 2.83Å; E354-Q358 VanDerWaalsContact O-CG 3.31Å; E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.99Å; E354-Q358 VanDerWaalsContact O-N 3.16Å
355	E	71.8	Confident	64.7	Low	122 Å²	122	115.1 Å²	115.1	57%	0.57	56%	0.561	S	S	*	*	H	α-helix	trans	-70.7	-43.3	175.3	-75.7	-168.6	174.1	0	0	112.5	E351 E352 G357 Q358 Q359	E351-E355 WeakPolarHBondContact O-CG 3.2Å; E351-E355 PolarHBondContact O-N 3.47Å; E352-E355 PolarHBondContact O-N 3.29Å; E355-G357 VanDerWaalsContact C-N 3.3Å; E355-G357 PolarHBondContact O-N 3.25Å; E355-Q358 PolarHBondContact O-N 3.24Å; E355-Q358 VanDerWaalsContact O-N 3.15Å; E355-Q359 PolarHBondContact O-N 2.94Å
356	E	69.8	Low	64.1	Low	119 Å²	119	114.2 Å²	114.2	56%	0.556	56%	0.559	S	S	*	*	H	α-helix	trans	-63.4	-37.9	174.9	-75.8	-168.7	169.8	0	0	111.3	E352 Q358 Q359 Q360	E352-E356 WeakPolarHBondContact O-CB 3.41Å; E352-E356 WeakPolarHBondContact O-CG 3.46Å; E352-E356 PolarHBondContact O-N 3.32Å; E356-Q358 VanDerWaalsContact C-N 3.29Å; E356-Q358 PolarHBondContact O-N 2.98Å; E356-Q359 PolarHBondContact O-N 3.41Å; E356-Q360 WeakPolarHBondContact O-CG 3.45Å; E356-Q360 PolarHBondContact O-N 3.37Å
357	G	66	Low	63.6	Low	37 Å²	37	115.2 Å²	115.2	38%	0.381	56%	0.564	S	S	.	*	H	α-helix	trans	-64.1	-32.1	173.9	0	0	0	0	0	113.4	E353 E355 K361	E353-G357 PolarHBondContact O-N 3.3Å; E355-G357 VanDerWaalsContact C-N 3.3Å; E355-G357 PolarHBondContact O-N 3.25Å; G357-K361 PolarHBondContact O-N 3.01Å
358	Q	66.2	Low	62.9	Low	126 Å²	126	113.4 Å²	113.4	59%	0.589	57%	0.568	S	S	*	*	H	α-helix	trans	-76.8	-38	174.9	-73.1	175.5	40.4	0	0	112.4	E354 E355 E356 K361 Q362	E354-Q358 VanDerWaalsContact O-CG 3.31Å; E354-Q358 WeakPolarHBondContact O-CG 3.43Å; E354-Q358 PolarHBondContact O-N 2.99Å; E354-Q358 VanDerWaalsContact O-N 3.16Å; E355-Q358 PolarHBondContact O-N 3.24Å; E355-Q358 VanDerWaalsContact O-N 3.15Å; E356-Q358 VanDerWaalsContact C-N 3.29Å; E356-Q358 PolarHBondContact O-N 2.98Å; Q358-K361 PolarHBondContact O-N 3.14Å; Q358-Q362 PolarHBondContact O-N 3.41Å; Q358-Q362 VanDerWaalsContact O-N 3.09Å
359	Q	63.2	Low	62	Low	114 Å²	114	111 Å²	111	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-67.9	-39.8	175.4	-79.4	169.3	13.2	0	0	112	E355 E356 K361 Q362 D363	E355-Q359 PolarHBondContact O-N 2.94Å; E356-Q359 PolarHBondContact O-N 3.41Å; Q359-K361 VanDerWaalsContact C-N 3.3Å; Q359-K361 PolarHBondContact O-N 2.92Å; Q359-Q362 PolarHBondContact O-N 3.07Å; Q359-Q362 VanDerWaalsContact O-N 3.09Å; Q359-D363 PolarHBondContact O-N 2.81Å
360	Q	59.3	Low	61	Low	129 Å²	129	114.1 Å²	114.1	60%	0.603	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-32.9	174.2	-73.9	-179.8	24.8	0	0	112.7	E356 V364	E356-Q360 WeakPolarHBondContact O-CG 3.45Å; E356-Q360 PolarHBondContact O-N 3.37Å; Q360-V364 VanDerWaalsContact O-CG2 3.23Å; Q360-V364 WeakPolarHBondContact O-CG2 3.27Å; Q360-V364 PolarHBondContact O-N 3.39Å; Q360-V364 VanDerWaalsContact O-N 3.15Å
361	K	59.5	Low	59.9	Low	127 Å²	127	118.7 Å²	118.7	55%	0.552	60%	0.599	S	S	*	*	H	α-helix	trans	-65.9	-40	171	-88	-176.9	173.3	-175.6	0	111.7	E162 G357 Q358 Q359 D365	E162-K361 IonicContact OE1-NZ 2.9Å; E162-K361 PolarHBondContact OE1-NZ 2.93Å; G357-K361 PolarHBondContact O-N 3.01Å; Q358-K361 PolarHBondContact O-N 3.14Å; Q359-K361 VanDerWaalsContact C-N 3.3Å; Q359-K361 PolarHBondContact O-N 2.92Å; K361-D365 PolarHBondContact O-N 2.99Å
362	Q	57.7	Low	58.5	Low	137 Å²	137	122.2 Å²	122.2	64%	0.64	62%	0.615	S	S	*	*	H	α-helix	trans	-68.7	-38.8	176.6	-78.6	-177.6	-7.6	0	0	112.9	Q358 Q359 D365 D366	Q358-Q362 PolarHBondContact O-N 3.41Å; Q358-Q362 VanDerWaalsContact O-N 3.09Å; Q359-Q362 PolarHBondContact O-N 3.07Å; Q359-Q362 VanDerWaalsContact O-N 3.09Å; Q362-D365 PolarHBondContact O-N 2.93Å; Q362-D366 WeakPolarHBondContact O-CB 3.2Å; Q362-D366 PolarHBondContact O-N 3.39Å
363	D	57.7	Low	57.1	Low	104 Å²	104	122.6 Å²	122.6	56%	0.556	63%	0.625	S	S	*	*	H	α-helix	trans	-70.1	-33	179.3	-73.6	-25	0	0	0	112.3	Q359 D365 D366 E367	Q359-D363 PolarHBondContact O-N 2.81Å; D363-D365 VanDerWaalsContact C-N 3.35Å; D363-D366 PolarHBondContact O-N 3.1Å; D363-E367 WeakPolarHBondContact O-CB 3.12Å; D363-E367 PolarHBondContact O-N 3.14Å
364	V	56.8	Low	55.6	Low	97 Å²	97	122.7 Å²	122.7	59%	0.588	63%	0.631	S	S	*	*	H	α-helix	trans	-69.4	-34.6	173.7	174.1	0	0	0	0	111.4	Q360 S368	Q360-V364 VanDerWaalsContact O-CG2 3.23Å; Q360-V364 WeakPolarHBondContact O-CG2 3.27Å; Q360-V364 PolarHBondContact O-N 3.39Å; Q360-V364 VanDerWaalsContact O-N 3.15Å; V364-S368 PolarHBondContact O-N 2.89Å; V364-S368 PolarHBondContact O-OG 2.88Å
365	D	53.6	Low	54.2	Low	117 Å²	117	125.4 Å²	125.4	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-72.9	-32.9	174.2	-75.4	-20.9	0	0	0	112	K361 Q362 D363 S368	K361-D365 PolarHBondContact O-N 2.99Å; Q362-D365 PolarHBondContact O-N 2.93Å; D363-D365 VanDerWaalsContact C-N 3.35Å; D365-S368 PolarHBondContact O-OG 2.82Å
366	D	52.7	Low	52.7	Low	83 Å²	83	127.3 Å²	127.3	44%	0.444	65%	0.652	S	S	.	*	H	α-helix	trans	-82	-26.9	179.3	-129.9	39.3	0	0	0	113.2	Q362 D363 R370	Q362-D366 WeakPolarHBondContact O-CB 3.2Å; Q362-D366 PolarHBondContact O-N 3.39Å; D363-D366 PolarHBondContact O-N 3.1Å; D366-R370 IonicContact OD1-NH2 3.58Å; D366-R370 IonicContact OD2-CZ 3.04Å; D366-R370 VanDerWaalsContact OD2-CZ 3.29Å; D366-R370 IonicContact OD2-NH1 2.79Å; D366-R370 PolarHBondContact OD2-NH1 2.88Å; D366-R370 IonicContact OD2-NH2 2.67Å; D366-R370 PolarHBondContact OD2-NH2 3.17Å
367	E	50.6	Low	51.3	Low	154 Å²	154	127.6 Å²	127.6	72%	0.72	66%	0.657	S	S	*	*	H	α-helix	trans	-76.9	-33	171.7	-81.1	-168.5	159.1	0	0	112.7	D363 G369 R370	D363-E367 WeakPolarHBondContact O-CB 3.12Å; D363-E367 PolarHBondContact O-N 3.14Å; E367-G369 PolarHBondContact O-N 3.36Å; E367-R370 PolarHBondContact O-N 3.09Å
368	S	50.7	Low	50	Low	97 Å²	97	132.1 Å²	132.1	68%	0.678	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-13	174.4	71.3	0	0	0	0	113.7	V364 D365	V364-S368 PolarHBondContact O-N 2.89Å; V364-S368 PolarHBondContact O-OG 2.88Å; D365-S368 PolarHBondContact O-OG 2.82Å
369	G	49.7	Very low	48.8	Very low	64 Å²	64	132.5 Å²	132.5	66%	0.66	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-2.2	178	0	0	0	0	0	116.4	E367	E367-G369 PolarHBondContact O-N 3.36Å
370	R	48.3	Very low	47.8	Very low	186 Å²	186	135.9 Å²	135.9	70%	0.702	69%	0.688	S	S	*	*	S	Bend	trans	-119.9	3.1	-171.8	-75	-170.9	-176.4	121.7	15.9	117	D366 E367	D366-R370 IonicContact OD1-NH2 3.58Å; D366-R370 IonicContact OD2-CZ 3.04Å; D366-R370 VanDerWaalsContact OD2-CZ 3.29Å; D366-R370 IonicContact OD2-NH1 2.79Å; D366-R370 PolarHBondContact OD2-NH1 2.88Å; D366-R370 IonicContact OD2-NH2 2.67Å; D366-R370 PolarHBondContact OD2-NH2 3.17Å; E367-R370 PolarHBondContact O-N 3.09Å
371	E	43.4	Very low	46.9	Very low	174 Å²	174	136.9 Å²	136.9	81%	0.813	69%	0.693	S	S	*	*			trans	-112.2	81.2	174.9	-69.4	-169.8	162.4	0	0	112.1
372	Q	41.6	Very low	46.1	Very low	194 Å²	194	137.3 Å²	137.3	91%	0.907	70%	0.697	S	S	*	*			trans	-176	76.4	152.9	-105.9	168.6	52	0	0	110.9
373	V	41	Very low	45.4	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	70%	0.704	S	S	*	*			trans	-145.6	135.3	158.1	-168.5	0	0	0	0	107.2
374	D	39.1	Very low	44.8	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	72%	0.716	S	S	*	*			trans	114	130.1	165.5	-60.4	-32.3	0	0	0	117.1
375	E	40	Very low	44.1	Very low	177 Å²	177	138 Å²	138	83%	0.827	72%	0.721	S	S	*	*			trans	83.7	131.7	167	-54.2	-174.6	-175.4	0	0	118.2
376	E	39.4	Very low	43.7	Very low	162 Å²	162	141.2 Å²	141.2	76%	0.757	73%	0.733	S	S	*	*			cis	-178.9	147.7	-22.5	-117.7	174.8	-169.7	0	0	105.2
377	D	39.9	Very low	43.6	Very low	125 Å²	125	144.1 Å²	144.1	67%	0.668	75%	0.748	S	S	*	*			trans	70	116.8	146.5	-70	-9.4	0	0	0	125.8
378	N	39.2	Very low	43.4	Very low	132 Å²	132	144.9 Å²	144.9	71%	0.706	75%	0.752	S	S	*	*				65.2	119	124.9	-63.4	-35.8	0	0	0	122.6
379	D	41.5	Very low	43.3	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	75%	0.75	S	S	*	*				179.1	123.2	102.6	-104.6	0	0	0	0	114.8
380	Y	42.4	Very low	43.3	Very low	186 Å²	186	149.7 Å²	149.7	73%	0.729	76%	0.755	S	S	*	*			trans	41.8	132.2	140.6	-65.8	-69	0	0	0	127.7
381	Q	40.4	Very low	43.3	Very low	149 Å²	149	147.4 Å²	147.4	70%	0.696	76%	0.756	S	S	*	*			trans	75	141.1	132.6	-72	178.6	-48	0	0	119.1
382	E	41.9	Very low	43.7	Very low	136 Å²	136	146 Å²	146	64%	0.636	75%	0.753	S	S	*	*			cis	-171.8	160.1	18.4	-123.6	164.6	-165.7	0	0	112.1
383	E	43.7	Very low	44.1	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	75%	0.746	S	S	*	*			trans	68.2	139.8	150.5	-67	179.9	176.2	0	0	121.5
384	S	44.4	Very low	44.4	Very low	116 Å²	116	144.6 Å²	144.6	81%	0.811	75%	0.746	S	S	*	*			cis	175.7	153.4	-5	52.6	0	0	0	0	110.7
385	G	43.2	Very low	44.8	Very low	68 Å²	68	142.3 Å²	142.3	70%	0.701	74%	0.742	S	S	*	*			trans	115.9	97	156.5	0	0	0	0	0	115.3
386	E	44.5	Very low	45.2	Very low	184 Å²	184	141.7 Å²	141.7	86%	0.86	74%	0.739	S	S	*	*				61.3	116.4	71.9	-62	-177.5	-178.7	0	0	112.1
387	D	50.1	Low	45.8	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	74%	0.737	S	S	*	*				-156.9	134.3	69.1	-60.6	-45.9	0	0	0	110.5
388	E	47	Very low	46.3	Very low	169 Å²	169	143.9 Å²	143.9	79%	0.79	74%	0.742	S	S	*	*				52.6	130.6	85.3	-70.3	-172.6	-177.1	0	0	113.9
389	D	49.4	Very low	47.2	Very low	119 Å²	119	141.5 Å²	141.5	64%	0.636	75%	0.749	S	S	*	*			cis	-170.8	161.3	23.1	-101.1	-22.1	0	0	0	112
390	D	48.7	Very low	48	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	75%	0.753	S	S	*	*			trans	63.5	156.2	145.1	-63.5	-18.2	0	0	0	123.4
391	D	49.3	Very low	48.8	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	76%	0.756	S	S	*	*			cis	-172.9	166	-46.2	-150.2	-6.8	0	0	0	105.4
392	I	51.4	Low	49.7	Very low	146 Å²	146	147.2 Å²	147.2	75%	0.749	78%	0.783	S	S	*	*			trans	96	94.3	160.4	-51.8	159.9	0	0	0	120.9
393	V	49	Very low	50.1	Low	123 Å²	123	147.8 Å²	147.8	75%	0.745	79%	0.79	S	S	*	*				19.1	149.7	121.9	-151	0	0	0	0	123.8
394	E	47.3	Very low	50.5	Low	171 Å²	171	146.7 Å²	146.7	80%	0.799	79%	0.79	S	S	*	*			trans	105.6	101.1	152.5	-65.1	-165.8	168.1	0	0	115.9
395	S	48.6	Very low	50.8	Low	97 Å²	97	148.4 Å²	148.4	68%	0.678	79%	0.789	S	S	*	*				90.6	141	71.1	73.3	0	0	0	0	114.9
396	E	48.8	Very low	51.2	Low	164 Å²	164	153.1 Å²	153.1	77%	0.766	79%	0.794	S	S	*	*			trans	118.1	105.8	163.6	-66.1	-165.1	154.5	0	0	114.2
397	K	51.7	Low	51.7	Low	166 Å²	166	151.2 Å²	151.2	72%	0.722	79%	0.79	S	S	*	*				69.4	144.6	93.2	-72.9	-174.2	171.2	-165	0	112.2
398	E	50.4	Low	51.8	Low	166 Å²	166	151.6 Å²	151.6	78%	0.776	79%	0.791	S	S	*	*			cis	-174.4	157.7	0.7	-106	167.6	-157.1	0	0	102.9
399	G	57.6	Low	52.1	Low	82 Å²	82	150.4 Å²	150.4	85%	0.845	79%	0.791	S	S	*	*			trans	161.4	73.6	166	0	0	0	0	0	116.7
400	E	58.9	Low	52.3	Low	172 Å²	172	152.8 Å²	152.8	80%	0.804	80%	0.803	S	S	*	*			trans	-70.9	146.6	160.3	-62.5	172.4	146.2	0	0	111.4
401	N	58	Low	52.6	Low	147 Å²	147	153.6 Å²	153.6	79%	0.786	81%	0.806	S	S	*	*				162.1	140.8	113.4	-85.2	-48.4	0	0	0	113.4
402	E	60.8	Low	52.9	Low	271 Å²	271	155 Å²	155	100%	1.266	81%	0.812	S	S	*	*			trans	76.5	0	170.3	-66.5	-173.3	171	0	0	120.3

Retrieved 402 of 402 residues in 805.5 ms (Link to these results)

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