A0A061I8U2_CRIGR Loading...

Bifunctional lysine-specific demethylase and histidyl-hydroxylase

Oxygenase that can act as both a histone lysine demethylase and a ribosomal histidine hydroxylase. Is involved in the demethylation of trimethylated 'Lys-9' on histone H3 (H3K9me3), leading to an increase in ribosomal RNA expression. Also catalyzes the hydroxylation of 60S ribosomal protein L27a on 'His-39'. May play an important role in cell growth and survival. May be involved in ribosome biogenesis, most likely during the assembly process of pre-ribosomal particles.

AlphaFold DB , UniProt , Accession A0A061I8U2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Riox2, Length 465 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	33.2	Very low	241 Å²	241	142.3 Å²	142.3	100%	1.187	82%	0.816	S	S	*	*				0	114.3	0	-75.8	172.8	154.1	0	0	106.7
2	S	33.2	Very low	32.9	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	83%	0.825	S	S	*	*			cis	-160	134	1	-70	0	0	0	0	109.4
3	K	36.7	Very low	32.8	Very low	202 Å²	202	146.8 Å²	146.8	88%	0.878	81%	0.814	S	S	*	*			trans	61.3	112.7	149.4	-68.3	-172.5	172.7	-175.2	0	124.1
4	N	35.9	Very low	32.5	Very low	127 Å²	127	148.5 Å²	148.5	68%	0.679	82%	0.821	S	S	*	*				32.6	123.4	126.5	-71.7	38.1	0	0	0	121.9
5	E	34.4	Very low	32.3	Very low	160 Å²	160	151.3 Å²	151.3	75%	0.748	81%	0.814	S	S	*	*				74.1	137.6	98.6	-67.6	173.8	160.5	0	0	113.2
6	E	29.6	Very low	32	Very low	169 Å²	169	149.8 Å²	149.8	79%	0.79	82%	0.817	S	S	*	*			cis	-178	-172.1	6.6	-114.1	-162.6	167	0	0	105.3
7	P	51.2	Low	31.9	Very low	88 Å²	88	148.3 Å²	148.3	57%	0.571	81%	0.813	S	S	*	*				-140.3	-171.2	-53.6	41.6	-22.2	0	0	0	114.4
8	T	28.9	Very low	31.8	Very low	143 Å²	143	146.5 Å²	146.5	88%	0.877	81%	0.81	S	S	*	*			trans	71.5	132.1	151.8	56.1	0	0	0	0	123
9	G	26.3	Very low	31.4	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	81%	0.813	S	S	*	*			trans	146.1	90.6	143	0	0	0	0	0	118.5
10	N	27.3	Very low	31	Very low	176 Å²	176	148 Å²	148	94%	0.941	81%	0.814	S	S	*	*			trans	53.1	124.6	146.9	-64.4	-0.9	0	0	0	122.8
11	G	28.7	Very low	30.9	Very low	79 Å²	79	150.2 Å²	150.2	81%	0.814	82%	0.819	S	S	*	*			trans	-164.9	105.1	152.2	0	0	0	0	0	109.5
12	E	29.3	Very low	30.5	Very low	197 Å²	197	144.5 Å²	144.5	92%	0.921	80%	0.798	S	S	*	*			trans	-60.6	150.5	-168.8	-71.1	169.1	142.7	0	0	115.4
13	E	32	Very low	30.4	Very low	147 Å²	147	148.5 Å²	148.5	69%	0.687	80%	0.801	S	S	*	*			trans	-59.6	148.2	169.4	-62.8	179.5	129.9	0	0	111.9	R15	E13-R15 IonicContact OE1-NE 3.16Å; E13-R15 IonicContact OE1-NH2 3.97Å; E13-R15 IonicContact OE2-NE 2.87Å; E13-R15 IonicContact OE2-NH2 2.63Å
14	D	27.4	Very low	30.1	Very low	170 Å²	170	144.5 Å²	144.5	91%	0.909	79%	0.793	S	S	*	*			trans	-143.8	134.5	130.4	-132.7	-13.6	0	0	0	112.4
15	R	30.3	Very low	29.7	Very low	190 Å²	190	145.1 Å²	145.1	72%	0.717	80%	0.797	S	S	*	*			trans	-85.1	138	-160.8	-71	176.7	179.8	179.5	1.3	112.7	E13	E13-R15 IonicContact OE1-NE 3.16Å; E13-R15 IonicContact OE1-NH2 3.97Å; E13-R15 IonicContact OE2-NE 2.87Å; E13-R15 IonicContact OE2-NH2 2.63Å
16	C	27.8	Very low	29.9	Very low	128 Å²	128	144.3 Å²	144.3	87%	0.865	80%	0.802	S	S	*	*			trans	-73.1	130	168.2	-167.1	0	0	0	0	110.9
17	V	29.4	Very low	29.9	Very low	124 Å²	124	141 Å²	141	75%	0.752	80%	0.797	S	S	*	*			trans	-125.5	133.7	166.3	-179	0	0	0	0	107.7
18	P	29.9	Very low	29.1	Very low	116 Å²	116	143.9 Å²	143.9	75%	0.753	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.3	127.8	-164.4	29.9	-31.7	0	0	0	112.1	K20	P18-K20 PolarHBondContact O-N 3Å
19	C	24.2	Very low	29.5	Very low	128 Å²	128	142.3 Å²	142.3	87%	0.865	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.9	118.3	174.9	-157.5	0	0	0	0	109.7	Q21	C19-Q21 PolarHBondContact O-N 3.28Å
20	K	25	Very low	30.5	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.9	116	173.7	-81	177.7	173.3	177.2	0	109.6	P18 V22	P18-K20 PolarHBondContact O-N 3Å; K20-V22 PolarHBondContact O-N 2.78Å
21	Q	28.4	Very low	32.2	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	79%	0.793	S	S	*	*			trans	-66.3	113.7	163.1	-81.7	177.1	-20.6	0	0	109	C19	C19-Q21 PolarHBondContact O-N 3.28Å
22	V	25.3	Very low	35	Very low	121 Å²	121	141 Å²	141	73%	0.733	77%	0.768	S	S	*	*			trans	-89.6	113.2	160.8	178.2	0	0	0	0	106.5	K20 V24	K20-V22 PolarHBondContact O-N 2.78Å; V22-V24 HydrophobicContact CG1-CG2 4.4Å; V22-V24 PolarHBondContact O-N 3.44Å
23	K	30.9	Very low	38.2	Very low	194 Å²	194	131.8 Å²	131.8	84%	0.843	73%	0.725	S	S	*	*			trans	-61.2	112.5	160.7	-103.6	179.9	171.3	-177.5	0	106.6
24	V	30.1	Very low	41.2	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.715	71%	0.707	S	S	*	*			trans	-87.5	107.6	166.3	178.3	0	0	0	0	106.1	V22	V22-V24 HydrophobicContact CG1-CG2 4.4Å; V22-V24 PolarHBondContact O-N 3.44Å
25	D	27.3	Very low	44.5	Very low	140 Å²	140	120.5 Å²	120.5	75%	0.749	67%	0.668	S	S	*	*			trans	-58.3	139.1	164	-77.5	-43	0	0	0	109.4	S27	D25-S27 PolarHBondContact O-N 3.39Å; D25-S27 VanDerWaalsContact O-N 3.12Å
26	V	38.9	Very low	47.5	Very low	142 Å²	142	118.2 Å²	118.2	86%	0.861	67%	0.67	S	S	*	*			trans	1.2	92.8	169.3	-170.1	0	0	0	0	113.9	D28	V26-D28 PolarHBondContact O-N 3.49Å
27	S	29.3	Very low	50.8	Low	99 Å²	99	114.1 Å²	114.1	69%	0.692	64%	0.643	S	S	*	*			trans	-71.9	110.3	174.1	61.1	0	0	0	0	109.6	D25 S29	D25-S27 PolarHBondContact O-N 3.39Å; D25-S27 VanDerWaalsContact O-N 3.12Å; S27-S29 PolarHBondContact O-N 2.94Å
28	D	33.5	Very low	54	Low	150 Å²	150	109.2 Å²	109.2	80%	0.802	61%	0.614	S	S	*	*			trans	-39.5	129.9	154.1	-98.7	-33.5	0	0	0	109.7	V26 M30	V26-D28 PolarHBondContact O-N 3.49Å; D28-M30 PolarHBondContact O-N 3.07Å
29	S	37.5	Very low	57.3	Low	110 Å²	110	107.1 Å²	107.1	77%	0.769	60%	0.599	S	S	*	*			trans	-62.7	106.7	173.7	61.3	0	0	0	0	108.7	S27 S31	S27-S29 PolarHBondContact O-N 2.94Å; S29-S31 PolarHBondContact O-N 3.28Å; S29-S31 VanDerWaalsContact O-N 3.09Å
30	M	47.3	Very low	60.8	Low	187 Å²	187	101.7 Å²	101.7	92%	0.921	56%	0.564	S	S	*	*			trans	-57.3	118.1	167.7	-66.2	-135.2	128.3	0	0	108	D28 A32	D28-M30 PolarHBondContact O-N 3.07Å; M30-A32 PolarHBondContact O-N 3.07Å
31	S	64	Low	64.3	Low	76 Å²	76	92.5 Å²	92.5	53%	0.531	52%	0.523	S	S	.	.			trans	-64.9	131.6	-176.9	63.8	0	0	0	0	109.7	S29 L33	S29-S31 PolarHBondContact O-N 3.28Å; S29-S31 VanDerWaalsContact O-N 3.09Å; S31-L33 WeakPolarHBondContact CB-O 3.36Å; S31-L33 PolarHBondContact O-N 2.8Å; S31-L33 VanDerWaalsContact O-N 3.11Å; S31-L33 PolarHBondContact OG-O 3.27Å
32	A	87.4	Confident	67.7	Low	35 Å²	35	83.1 Å²	83.1	29%	0.289	48%	0.48	S	S	.	.	S	Bend	trans	-63.5	-19.3	-175.8	0	0	0	0	0	113.5	M30 L73 Y76	M30-A32 PolarHBondContact O-N 3.07Å; A32-L73 HydrophobicContact CB-CD1 3.79Å; A32-Y76 HydrophobicContact CB-CD1 3.75Å; A32-Y76 HydrophobicContact CB-CD2 4.2Å; A32-Y76 HydrophobicContact CB-CG 3.56Å
33	L	95.4	Very high	71.2	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.01	47%	0.468	C	S	.	.	S	Bend	trans	-121	149	168.8	-62.7	-179.1	0	0	0	109.5	S31 F35 L41 L45 Y76 I150	S31-L33 WeakPolarHBondContact CB-O 3.36Å; S31-L33 PolarHBondContact O-N 2.8Å; S31-L33 VanDerWaalsContact O-N 3.11Å; S31-L33 PolarHBondContact OG-O 3.27Å; L33-F35 HydrophobicContact CB-CD2 4.46Å; L33-F35 HydrophobicContact CB-CE2 3.84Å; L33-F35 HydrophobicContact CB-CZ 4.11Å; L33-F35 HydrophobicContact CD1-CZ 4.36Å; L33-F35 WeakPolarHBondContact O-CD2 3.26Å; L33-L41 HydrophobicContact CB-CD1 3.84Å; L33-L41 HydrophobicContact CD1-CD1 3.89Å; L33-L41 HydrophobicContact CG-CD1 4.41Å; L33-L45 HydrophobicContact CD1-CD1 4.47Å; L33-L45 HydrophobicContact CD2-CB 4.43Å; L33-L45 HydrophobicContact CD2-CD1 4.45Å; L33-Y76 HydrophobicContact CB-CE1 4.47Å; L33-Y76 HydrophobicContact CD1-CE1 3.59Å; L33-Y76 HydrophobicContact CG-CD1 4.35Å; L33-Y76 HydrophobicContact CG-CE1 3.68Å; L33-I150 HydrophobicContact CD1-CD1 4Å; L33-I150 HydrophobicContact CD1-CG1 4.18Å
34	N	96.3	Very high	74.4	Confident	56 Å²	56	74.5 Å²	74.5	30%	0.299	44%	0.438	S	S	.	.			trans	-89.1	123.6	176.3	-176.5	-31	0	0	0	109.9	D36 A40 L41 S44	N34-D36 PolarHBondContact ND2-OD2 3.37Å; N34-D36 VanDerWaalsContact ND2-OD2 3.12Å; N34-D36 WeakPolarHBondContact OD1-CB 3.43Å; N34-D36 PolarHBondContact OD1-N 3.27Å; N34-D36 PolarHBondContact OD1-OD2 3.26Å; N34-D36 VanDerWaalsContact OD1-OD2 3.06Å; N34-A40 HydrophobicContact CB-CB 4.19Å; N34-A40 CarbonylContact O-C 3.55Å; N34-L41 WeakPolarHBondContact O-CA 3.09Å; N34-L41 WeakPolarHBondContact O-CB 3.34Å; N34-L41 PolarHBondContact O-N 3.11Å; N34-L41 VanDerWaalsContact O-N 3.09Å; N34-S44 PolarHBondContact N-OG 2.82Å
35	F	95.6	Very high	77.6	Confident	25 Å²	25	68.9 Å²	68.9	11%	0.11	40%	0.404	C	S	.	.			trans	-108.1	10.2	-178.6	-70	-82.9	0	0	0	114.6	L33 S37 L41 Y76 K149 I150 K153	L33-F35 HydrophobicContact CB-CD2 4.46Å; L33-F35 HydrophobicContact CB-CE2 3.84Å; L33-F35 HydrophobicContact CB-CZ 4.11Å; L33-F35 HydrophobicContact CD1-CZ 4.36Å; L33-F35 WeakPolarHBondContact O-CD2 3.26Å; F35-S37 VanDerWaalsContact C-N 3.25Å; F35-S37 PolarHBondContact O-N 3.11Å; F35-L41 HydrophobicContact CD1-CD1 3.87Å; F35-L41 HydrophobicContact CD1-CD2 4.39Å; F35-L41 HydrophobicContact CE1-CD1 3.58Å; F35-L41 HydrophobicContact CE1-CD2 4.19Å; F35-L41 HydrophobicContact CZ-CD1 4.01Å; F35-Y76 WeakPolarHBondContact CZ-OH 3.47Å; F35-K149 HydrophobicContact CD1-CD 3.76Å; F35-K149 HydrophobicContact CD1-CG 3.71Å; F35-K149 HydrophobicContact CD2-CD 4.37Å; F35-K149 HydrophobicContact CE1-CB 4.27Å; F35-K149 HydrophobicContact CE1-CD 3.72Å; F35-K149 HydrophobicContact CE1-CG 3.64Å; F35-K149 HydrophobicContact CE2-CD 4.33Å; F35-K149 HydrophobicContact CG-CD 4.09Å; F35-K149 VanDerWaalsContact CG-CE 3.43Å; F35-K149 HydrophobicContact CG-CG 4.48Å; F35-K149 HydrophobicContact CZ-CD 4.01Å; F35-K149 HydrophobicContact CZ-CG 4.36Å; F35-I150 HydrophobicContact CE1-CG1 3.86Å; F35-I150 HydrophobicContact CZ-CG1 3.83Å; F35-K153 HydrophobicContact CD1-CG 4.45Å; F35-K153 WeakPolarHBondContact O-CE 3.41Å
36	D	94.8	Very high	81	Confident	142 Å²	142	62.2 Å²	62.2	76%	0.759	37%	0.368	S	S	*	.	S	Bend	trans	-61.7	-33	-176.5	-62.8	-25.3	0	0	0	112.5	N34	N34-D36 PolarHBondContact ND2-OD2 3.37Å; N34-D36 VanDerWaalsContact ND2-OD2 3.12Å; N34-D36 WeakPolarHBondContact OD1-CB 3.43Å; N34-D36 PolarHBondContact OD1-N 3.27Å; N34-D36 PolarHBondContact OD1-OD2 3.26Å; N34-D36 VanDerWaalsContact OD1-OD2 3.06Å
37	S	95.8	Very high	83.8	Confident	42 Å²	42	58.3 Å²	58.3	29%	0.294	35%	0.347	S	S	.	.	S	Bend	trans	-153.2	162.6	176.8	66.5	0	0	0	0	111.5	F35 T39 A40 L41	F35-S37 VanDerWaalsContact C-N 3.25Å; F35-S37 PolarHBondContact O-N 3.11Å; S37-T39 PolarHBondContact O-N 3.39Å; S37-A40 PolarHBondContact O-N 2.82Å; S37-A40 WeakPolarHBondContact OG-CB 3.39Å; S37-A40 PolarHBondContact OG-N 3.35Å; S37-A40 VanDerWaalsContact OG-N 3.08Å; S37-L41 PolarHBondContact O-N 3.17Å
38	P	97.8	Very high	87.1	Confident	21 Å²	21	58.6 Å²	58.6	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-52.2	-42.9	171.7	-28.4	37	0	0	0	113	L41 F42 K153 C156 Y157	P38-L41 PolarHBondContact O-N 3.29Å; P38-F42 PolarHBondContact O-N 3.47Å; P38-F42 VanDerWaalsContact O-N 3.08Å; P38-K153 WeakPolarHBondContact CB-O 3.39Å; P38-K153 HydrophobicContact CG-CD 4.41Å; P38-C156 HydrophobicContact CB-CB 3.94Å; P38-C156 HydrophobicContact CG-CB 3.52Å; P38-Y157 HydrophobicContact CB-CD2 4.34Å
39	T	98.4	Very high	90.2	Very high	71 Å²	71	53.5 Å²	53.5	44%	0.436	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-47.1	177.8	-52.2	0	0	0	0	112.2	S37 L41 F42 E43 I51 Y157	S37-T39 PolarHBondContact O-N 3.39Å; T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.32Å; T39-F42 PolarHBondContact O-N 2.53Å; T39-E43 WeakPolarHBondContact O-CB 3.43Å; T39-E43 PolarHBondContact O-N 3.12Å; T39-I51 HydrophobicContact CG2-CD1 3.67Å; T39-Y157 HydrophobicContact CG2-CE2 4.29Å
40	A	98.3	Very high	93.1	Very high	15 Å²	15	54.8 Å²	54.8	12%	0.124	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-34.7	-179.7	0	0	0	0	0	112.1	N34 S37 S44	N34-A40 HydrophobicContact CB-CB 4.19Å; N34-A40 CarbonylContact O-C 3.55Å; S37-A40 PolarHBondContact O-N 2.82Å; S37-A40 WeakPolarHBondContact OG-CB 3.39Å; S37-A40 PolarHBondContact OG-N 3.35Å; S37-A40 VanDerWaalsContact OG-N 3.08Å; A40-S44 WeakPolarHBondContact O-CB 3.16Å; A40-S44 PolarHBondContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 2.64Å
41	L	98.5	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-52.2	172.1	178.6	66.8	0	0	0	111	L33 N34 F35 S37 P38 T39 E43 S44 L45 I150 K153 L154	L33-L41 HydrophobicContact CB-CD1 3.84Å; L33-L41 HydrophobicContact CD1-CD1 3.89Å; L33-L41 HydrophobicContact CG-CD1 4.41Å; N34-L41 WeakPolarHBondContact O-CA 3.09Å; N34-L41 WeakPolarHBondContact O-CB 3.34Å; N34-L41 PolarHBondContact O-N 3.11Å; N34-L41 VanDerWaalsContact O-N 3.09Å; F35-L41 HydrophobicContact CD1-CD1 3.87Å; F35-L41 HydrophobicContact CD1-CD2 4.39Å; F35-L41 HydrophobicContact CE1-CD1 3.58Å; F35-L41 HydrophobicContact CE1-CD2 4.19Å; F35-L41 HydrophobicContact CZ-CD1 4.01Å; S37-L41 PolarHBondContact O-N 3.17Å; P38-L41 PolarHBondContact O-N 3.29Å; T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.32Å; L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 3.42Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 2.87Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.15Å; L41-L45 PolarHBondContact O-N 3.22Å; L41-I150 HydrophobicContact CD2-CG2 4.39Å; L41-I150 WeakPolarHBondContact CD2-O 3.47Å; L41-K153 HydrophobicContact CB-CB 4.34Å; L41-K153 HydrophobicContact CD2-CB 3.18Å; L41-K153 HydrophobicContact CD2-CG 3.93Å; L41-K153 HydrophobicContact CG-CB 4.36Å; L41-L154 HydrophobicContact CD2-CD2 4.38Å; L41-L154 HydrophobicContact CD2-CG 4.26Å
42	F	98.8	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-43.6	-178.3	-172.9	-108.6	0	0	0	111.3	P38 T39 S44 L45 I46 I51 F54 F55 L154 Y157 F158 F186	P38-F42 PolarHBondContact O-N 3.47Å; P38-F42 VanDerWaalsContact O-N 3.08Å; T39-F42 PolarHBondContact O-N 2.53Å; F42-S44 PolarHBondContact O-N 3.07Å; F42-L45 WeakPolarHBondContact O-CB 3.36Å; F42-L45 PolarHBondContact O-N 3.39Å; F42-I46 HydrophobicContact CD1-CD1 4.3Å; F42-I46 HydrophobicContact CE1-CD1 3.69Å; F42-I46 HydrophobicContact CE1-CG1 4.33Å; F42-I46 HydrophobicContact CE2-CG2 4.02Å; F42-I46 HydrophobicContact CZ-CD1 4.07Å; F42-I46 HydrophobicContact CZ-CG2 3.97Å; F42-I46 WeakPolarHBondContact O-CG1 3.36Å; F42-I46 PolarHBondContact O-N 3.18Å; F42-I46 VanDerWaalsContact O-N 3.12Å; F42-I51 HydrophobicContact CD1-CD1 4.18Å; F42-I51 HydrophobicContact CD1-CG1 3.98Å; F42-I51 HydrophobicContact CE1-CG1 4.42Å; F42-F54 AromaticContact CE1-CD1 3.87Å; F42-F54 HydrophobicContact CE1-CD1 3.87Å; F42-F54 HydrophobicContact CE1-CE1 4.25Å; F42-F54 HydrophobicContact CE1-CG 4.43Å; F42-F54 AromaticContact CZ-CD1 3.66Å; F42-F54 HydrophobicContact CZ-CD1 3.66Å; F42-F54 AromaticContact CZ-CE1 3.59Å; F42-F54 HydrophobicContact CZ-CE1 3.59Å; F42-F54 HydrophobicContact CZ-CG 4.28Å; F42-F54 HydrophobicContact CZ-CZ 4.16Å; F42-F55 HydrophobicContact CD1-CE2 4.33Å; F42-F55 AromaticContact CE1-CE2 3.64Å; F42-F55 HydrophobicContact CE1-CE2 3.64Å; F42-F55 HydrophobicContact CE1-CZ 4.09Å; F42-F55 HydrophobicContact CZ-CE2 4.3Å; F42-F55 HydrophobicContact CZ-CZ 4.34Å; F42-L154 HydrophobicContact CB-CD2 4.43Å; F42-L154 HydrophobicContact CD2-CD2 3.88Å; F42-Y157 HydrophobicContact CB-CD1 3.84Å; F42-Y157 HydrophobicContact CB-CD2 4.13Å; F42-Y157 HydrophobicContact CB-CE1 3.79Å; F42-Y157 HydrophobicContact CB-CE2 4.1Å; F42-Y157 HydrophobicContact CB-CG 4.01Å; F42-Y157 HydrophobicContact CD1-CD1 4.05Å; F42-Y157 AromaticContact CD1-CE1 3.21Å; F42-Y157 HydrophobicContact CD1-CE1 3.21Å; F42-Y157 HydrophobicContact CD1-CE2 4.32Å; F42-Y157 AromaticContact CD1-CZ 3.39Å; F42-Y157 WeakPolarHBondContact CD1-OH 3.39Å; F42-Y157 HydrophobicContact CD2-CD1 4.06Å; F42-Y157 AromaticContact CD2-CE1 3.98Å; F42-Y157 HydrophobicContact CD2-CE1 3.98Å; F42-Y157 AromaticContact CE1-CE1 3.72Å; F42-Y157 HydrophobicContact CE1-CE1 3.72Å; F42-Y157 HydrophobicContact CE2-CE1 4.41Å; F42-Y157 AromaticContact CG-CD1 3.7Å; F42-Y157 HydrophobicContact CG-CD1 3.7Å; F42-Y157 AromaticContact CG-CE1 3.35Å; F42-Y157 HydrophobicContact CG-CE1 3.35Å; F42-Y157 HydrophobicContact CG-CE2 4.46Å; F42-Y157 HydrophobicContact CG-CG 4.37Å; F42-Y157 AromaticContact CG-CZ 3.79Å; F42-Y157 HydrophobicContact CZ-CE1 4.29Å; F42-F158 HydrophobicContact CD2-CE2 4.33Å; F42-F158 HydrophobicContact CD2-CZ 4.07Å; F42-F158 HydrophobicContact CE2-CE2 4.21Å; F42-F158 AromaticContact CE2-CZ 3.59Å; F42-F158 HydrophobicContact CE2-CZ 3.59Å; F42-F158 HydrophobicContact CZ-CZ 4.12Å; F42-F186 AromaticContact CE2-CE1 3.87Å; F42-F186 HydrophobicContact CE2-CE1 3.87Å; F42-F186 AromaticContact CE2-CZ 3.72Å; F42-F186 HydrophobicContact CE2-CZ 3.72Å; F42-F186 HydrophobicContact CZ-CE1 4.2Å; F42-F186 HydrophobicContact CZ-CZ 4.08Å
43	E	98.6	Very high	97.7	Very high	104 Å²	104	50.3 Å²	50.3	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-49.6	176.4	-169.8	172.7	-161.3	0	0	112.2	T39 L41 L45 I46 S47 I51	T39-E43 WeakPolarHBondContact O-CB 3.43Å; T39-E43 PolarHBondContact O-N 3.12Å; L41-E43 VanDerWaalsContact C-N 3.31Å; L41-E43 PolarHBondContact O-N 3.42Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.25Å; E43-I46 PolarHBondContact O-N 3.41Å; E43-S47 PolarHBondContact O-N 3.47Å; E43-I51 HydrophobicContact CB-CD1 3.84Å; E43-I51 HydrophobicContact CB-CG1 4.22Å; E43-I51 HydrophobicContact CG-CD1 4.4Å; E43-I51 HydrophobicContact CG-CG1 4.46Å
44	S	98.4	Very high	97.9	Very high	30 Å²	30	50.2 Å²	50.2	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-33.9	178.2	61.2	0	0	0	0	112.6	N34 A40 L41 F42 S47	N34-S44 PolarHBondContact N-OG 2.82Å; A40-S44 WeakPolarHBondContact O-CB 3.16Å; A40-S44 PolarHBondContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 2.64Å; L41-S44 PolarHBondContact O-N 2.9Å; L41-S44 PolarHBondContact O-OG 2.87Å; F42-S44 PolarHBondContact O-N 3.07Å; S44-S47 WeakPolarHBondContact O-CB 3.41Å; S44-S47 PolarHBondContact O-N 3.43Å
45	L	98.6	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-43.3	178	179.9	64.2	0	0	0	112.3	L33 L41 F42 E43 R68 L154 L188 L231	L33-L45 HydrophobicContact CD1-CD1 4.47Å; L33-L45 HydrophobicContact CD2-CB 4.43Å; L33-L45 HydrophobicContact CD2-CD1 4.45Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.15Å; L41-L45 PolarHBondContact O-N 3.22Å; F42-L45 WeakPolarHBondContact O-CB 3.36Å; F42-L45 PolarHBondContact O-N 3.39Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 3.25Å; L45-R68 PolarHBondContact O-NH2 3.12Å; L45-L154 HydrophobicContact CD2-CD1 4.21Å; L45-L154 HydrophobicContact CD2-CD2 4.25Å; L45-L188 HydrophobicContact CD1-CD1 4.4Å; L45-L188 HydrophobicContact CD1-CD2 4.08Å; L45-L231 HydrophobicContact CD1-CD1 3.83Å; L45-L231 HydrophobicContact CG-CD1 3.83Å; L45-L231 WeakPolarHBondContact O-CD1 3.35Å
46	I	98.6	Very high	98.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-96.4	5.8	-179.2	67	163.2	0	0	0	113.9	F42 E43 I49 F54 I66 F186	F42-I46 HydrophobicContact CD1-CD1 4.3Å; F42-I46 HydrophobicContact CE1-CD1 3.69Å; F42-I46 HydrophobicContact CE1-CG1 4.33Å; F42-I46 HydrophobicContact CE2-CG2 4.02Å; F42-I46 HydrophobicContact CZ-CD1 4.07Å; F42-I46 HydrophobicContact CZ-CG2 3.97Å; F42-I46 WeakPolarHBondContact O-CG1 3.36Å; F42-I46 PolarHBondContact O-N 3.18Å; F42-I46 VanDerWaalsContact O-N 3.12Å; E43-I46 PolarHBondContact O-N 3.41Å; I46-I49 HydrophobicContact CD1-CB 4.42Å; I46-I49 HydrophobicContact CD1-CG2 4.46Å; I46-I49 WeakPolarHBondContact CD1-O 3.23Å; I46-I49 WeakPolarHBondContact CG1-O 3.44Å; I46-I49 WeakPolarHBondContact O-CB 3.33Å; I46-I49 PolarHBondContact O-N 3.17Å; I46-F54 HydrophobicContact CD1-CB 3.57Å; I46-F54 HydrophobicContact CD1-CD2 4.18Å; I46-F54 HydrophobicContact CD1-CG 3.84Å; I46-I66 HydrophobicContact CB-CD1 4.3Å; I46-I66 WeakPolarHBondContact O-CD1 3.36Å; I46-F186 HydrophobicContact CG2-CE1 4.29Å
47	S	97.8	Very high	98.3	Very high	60 Å²	60	54.3 Å²	54.3	42%	0.42	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	135.9	176.8	179.2	0	0	0	0	111.6	E43 S44 R68	E43-S47 PolarHBondContact O-N 3.47Å; S44-S47 WeakPolarHBondContact O-CB 3.41Å; S44-S47 PolarHBondContact O-N 3.43Å; S47-R68 PolarHBondContact O-NE 2.97Å; S47-R68 PolarHBondContact O-NH2 2.81Å
48	P	97.6	Very high	98.5	Very high	105 Å²	105	53.7 Å²	53.7	68%	0.682	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.8	11	10.4	37.9	-37.4	0	0	0	115.2	K50	P48-K50 PolarHBondContact O-N 3.26Å
49	I	98.6	Very high	98.5	Very high	42 Å²	42	53.7 Å²	53.7	22%	0.215	28%	0.275	C	S	.	.	S	Bend	trans	-73.1	126.6	-178.9	-53.5	-57.6	0	0	0	109.4	I46 F54 L64 I66	I46-I49 HydrophobicContact CD1-CB 4.42Å; I46-I49 HydrophobicContact CD1-CG2 4.46Å; I46-I49 WeakPolarHBondContact CD1-O 3.23Å; I46-I49 WeakPolarHBondContact CG1-O 3.44Å; I46-I49 WeakPolarHBondContact O-CB 3.33Å; I46-I49 PolarHBondContact O-N 3.17Å; I49-F54 HydrophobicContact CG2-CB 4.18Å; I49-L64 HydrophobicContact CD1-CD1 4.37Å; I49-L64 HydrophobicContact CG1-CD1 4.1Å; I49-L64 HydrophobicContact CG1-CD2 4.12Å; I49-L64 HydrophobicContact CG2-CD2 4.38Å; I49-I66 HydrophobicContact CG1-CD1 3.94Å; I49-I66 HydrophobicContact CG1-CG1 4.36Å
50	K	98.5	Very high	98.5	Very high	137 Å²	137	53.1 Å²	53.1	60%	0.596	27%	0.268	S	S	*	.			trans	-69.2	144.6	174.9	-65	-173.3	176.7	-174	0	110.8	P48 E52 T53 F54	P48-K50 PolarHBondContact O-N 3.26Å; K50-E52 VanDerWaalsContact C-N 3.27Å; K50-E52 PolarHBondContact O-N 3.3Å; K50-T53 WeakPolarHBondContact O-CB 3.48Å; K50-T53 PolarHBondContact O-N 3.04Å; K50-F54 PolarHBondContact O-N 3.2Å
51	I	98.7	Very high	98.6	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.108	29%	0.29	C	S	.	.	H	α-helix	trans	-52.9	-45.8	178.1	-69.7	-179.5	0	0	0	111.4	T39 F42 E43 T53 F54 F55 Y157	T39-I51 HydrophobicContact CG2-CD1 3.67Å; F42-I51 HydrophobicContact CD1-CD1 4.18Å; F42-I51 HydrophobicContact CD1-CG1 3.98Å; F42-I51 HydrophobicContact CE1-CG1 4.42Å; E43-I51 HydrophobicContact CB-CD1 3.84Å; E43-I51 HydrophobicContact CB-CG1 4.22Å; E43-I51 HydrophobicContact CG-CD1 4.4Å; E43-I51 HydrophobicContact CG-CG1 4.46Å; I51-T53 VanDerWaalsContact C-N 3.27Å; I51-T53 PolarHBondContact O-N 2.68Å; I51-F54 WeakPolarHBondContact O-CB 3.49Å; I51-F54 PolarHBondContact O-N 3.25Å; I51-F55 HydrophobicContact CG2-CD2 3.79Å; I51-F55 HydrophobicContact CG2-CE2 3.97Å; I51-F55 WeakPolarHBondContact O-CD2 3.48Å; I51-F55 PolarHBondContact O-N 3.26Å; I51-Y157 WeakPolarHBondContact CG2-OH 3.45Å
52	E	98.5	Very high	98.5	Very high	136 Å²	136	62.9 Å²	62.9	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-64.8	-35.7	-177.6	-55	77.4	-167.5	0	0	111.4	K50 K56	K50-E52 VanDerWaalsContact C-N 3.27Å; K50-E52 PolarHBondContact O-N 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.27Å; E52-K56 VanDerWaalsContact O-N 3.1Å
53	T	98.8	Very high	98.6	Very high	48 Å²	48	63.9 Å²	63.9	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-70.3	-42.4	176.7	-52.9	0	0	0	0	110.4	K50 I51 K56 E57 F58	K50-T53 WeakPolarHBondContact O-CB 3.48Å; K50-T53 PolarHBondContact O-N 3.04Å; I51-T53 VanDerWaalsContact C-N 3.27Å; I51-T53 PolarHBondContact O-N 2.68Å; T53-K56 PolarHBondContact O-N 3.04Å; T53-E57 HydrophobicContact CG2-CG 4.38Å; T53-E57 WeakPolarHBondContact O-CB 3.48Å; T53-E57 PolarHBondContact O-N 2.87Å; T53-F58 HydrophobicContact CG2-CE2 4.23Å
54	F	98.9	Very high	98.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-55.9	176.9	178.5	-96.9	0	0	0	112	F42 I46 I49 K50 I51 K56 F58 W59 L64 F186 Y233	F42-F54 AromaticContact CE1-CD1 3.87Å; F42-F54 HydrophobicContact CE1-CD1 3.87Å; F42-F54 HydrophobicContact CE1-CE1 4.25Å; F42-F54 HydrophobicContact CE1-CG 4.43Å; F42-F54 AromaticContact CZ-CD1 3.66Å; F42-F54 HydrophobicContact CZ-CD1 3.66Å; F42-F54 AromaticContact CZ-CE1 3.59Å; F42-F54 HydrophobicContact CZ-CE1 3.59Å; F42-F54 HydrophobicContact CZ-CG 4.28Å; F42-F54 HydrophobicContact CZ-CZ 4.16Å; I46-F54 HydrophobicContact CD1-CB 3.57Å; I46-F54 HydrophobicContact CD1-CD2 4.18Å; I46-F54 HydrophobicContact CD1-CG 3.84Å; I49-F54 HydrophobicContact CG2-CB 4.18Å; K50-F54 PolarHBondContact O-N 3.2Å; I51-F54 WeakPolarHBondContact O-CB 3.49Å; I51-F54 PolarHBondContact O-N 3.25Å; F54-K56 VanDerWaalsContact C-N 3.35Å; F54-K56 PolarHBondContact O-N 2.96Å; F54-F58 HydrophobicContact CD2-CB 4.13Å; F54-F58 HydrophobicContact CE2-CB 4.31Å; F54-F58 WeakPolarHBondContact O-CA 3.23Å; F54-F58 WeakPolarHBondContact O-CB 3.33Å; F54-F58 PolarHBondContact O-N 3.23Å; F54-W59 HydrophobicContact CD1-CB 4.41Å; F54-W59 HydrophobicContact CE1-CB 4.04Å; F54-W59 HydrophobicContact CE1-CD2 4.21Å; F54-W59 AromaticContact CE1-CE3 3.52Å; F54-W59 HydrophobicContact CE1-CE3 3.52Å; F54-W59 HydrophobicContact CE1-CG 4.46Å; F54-W59 HydrophobicContact CE1-CZ3 4.3Å; F54-W59 AromaticContact CZ-CE3 3.72Å; F54-W59 HydrophobicContact CZ-CE3 3.72Å; F54-W59 HydrophobicContact CZ-CZ3 4.39Å; F54-W59 PolarHBondContact O-N 2.87Å; F54-L64 HydrophobicContact CD2-CD2 3.67Å; F54-L64 HydrophobicContact CE2-CD2 3.99Å; F54-F186 HydrophobicContact CE1-CE1 4.43Å; F54-F186 HydrophobicContact CE1-CZ 4.14Å; F54-F186 AromaticContact CE2-CE1 3.99Å; F54-F186 HydrophobicContact CE2-CE1 3.99Å; F54-F186 HydrophobicContact CE2-CZ 4.43Å; F54-F186 AromaticContact CZ-CE1 3.61Å; F54-F186 HydrophobicContact CZ-CE1 3.61Å; F54-F186 AromaticContact CZ-CZ 3.6Å; F54-F186 HydrophobicContact CZ-CZ 3.6Å; F54-Y233 AromaticContact CE2-CD1 3.62Å; F54-Y233 HydrophobicContact CE2-CD1 3.62Å; F54-Y233 HydrophobicContact CE2-CD2 4.17Å; F54-Y233 HydrophobicContact CE2-CE1 4.01Å; F54-Y233 AromaticContact CE2-CG 3.72Å; F54-Y233 HydrophobicContact CE2-CG 3.72Å; F54-Y233 AromaticContact CZ-CD1 3.95Å; F54-Y233 HydrophobicContact CZ-CD1 3.95Å; F54-Y233 AromaticContact CZ-CD2 3.85Å; F54-Y233 HydrophobicContact CZ-CD2 3.85Å; F54-Y233 AromaticContact CZ-CE1 3.99Å; F54-Y233 HydrophobicContact CZ-CE1 3.99Å; F54-Y233 AromaticContact CZ-CE2 3.91Å; F54-Y233 HydrophobicContact CZ-CE2 3.91Å; F54-Y233 AromaticContact CZ-CG 3.89Å; F54-Y233 HydrophobicContact CZ-CG 3.89Å; F54-Y233 AromaticContact CZ-CZ 3.99Å
55	F	98.8	Very high	98.6	Very high	66 Å²	66	60.5 Å²	60.5	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-70.1	-30.7	-177.2	-77.5	-72.6	0	0	0	113.7	F42 I51 W59 Y157 F158	F42-F55 HydrophobicContact CD1-CE2 4.33Å; F42-F55 AromaticContact CE1-CE2 3.64Å; F42-F55 HydrophobicContact CE1-CE2 3.64Å; F42-F55 HydrophobicContact CE1-CZ 4.09Å; F42-F55 HydrophobicContact CZ-CE2 4.3Å; F42-F55 HydrophobicContact CZ-CZ 4.34Å; I51-F55 HydrophobicContact CG2-CD2 3.79Å; I51-F55 HydrophobicContact CG2-CE2 3.97Å; I51-F55 WeakPolarHBondContact O-CD2 3.48Å; I51-F55 PolarHBondContact O-N 3.26Å; F55-W59 HydrophobicContact CD1-CB 3.76Å; F55-W59 AromaticContact CD1-CD1 3.88Å; F55-W59 HydrophobicContact CD1-CD2 4.08Å; F55-W59 AromaticContact CD1-CG 3.61Å; F55-W59 HydrophobicContact CD1-CG 3.61Å; F55-W59 HydrophobicContact CE1-CB 4.36Å; F55-W59 AromaticContact CE1-CD2 3.82Å; F55-W59 HydrophobicContact CE1-CD2 3.82Å; F55-W59 HydrophobicContact CE1-CE3 4.25Å; F55-W59 AromaticContact CE1-CG 3.88Å; F55-W59 HydrophobicContact CE1-CG 3.88Å; F55-W59 HydrophobicContact CG-CB 4.48Å; F55-Y157 AromaticContact CE2-CE1 3.82Å; F55-Y157 HydrophobicContact CE2-CE1 3.82Å; F55-Y157 AromaticContact CE2-CZ 3.98Å; F55-Y157 VanDerWaalsContact CE2-OH 3.27Å; F55-Y157 WeakPolarHBondContact CE2-OH 3.39Å; F55-Y157 AromaticContact CZ-CE1 3.77Å; F55-Y157 HydrophobicContact CZ-CE1 3.77Å; F55-F158 HydrophobicContact CE1-CE1 4.29Å; F55-F158 AromaticContact CZ-CE1 3.92Å; F55-F158 HydrophobicContact CZ-CE1 3.92Å
56	K	98.6	Very high	98.6	Very high	159 Å²	159	61 Å²	61	69%	0.691	30%	0.301	S	S	*	.	H	α-helix	trans	-76.3	-38.1	179.3	-175	-178.6	177.5	-172.1	0	112.9	E52 T53 F54 Q61	E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.27Å; E52-K56 VanDerWaalsContact O-N 3.1Å; T53-K56 PolarHBondContact O-N 3.04Å; F54-K56 VanDerWaalsContact C-N 3.35Å; F54-K56 PolarHBondContact O-N 2.96Å; K56-Q61 PolarHBondContact O-NE2 3.42Å
57	E	98.6	Very high	98.6	Very high	83 Å²	83	66.6 Å²	66.6	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-114.6	-23.7	-166.8	-59	-170.9	-172.4	0	0	114.9	T53 K62	T53-E57 HydrophobicContact CG2-CG 4.38Å; T53-E57 WeakPolarHBondContact O-CB 3.48Å; T53-E57 PolarHBondContact O-N 2.87Å; E57-K62 WeakPolarHBondContact O-CE 3.32Å
58	F	98.8	Very high	98.5	Very high	29 Å²	29	65.3 Å²	65.3	13%	0.127	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-49.4	-171.7	-63.9	-83.4	0	0	0	112.5	T53 F54 E60 Q61 K62 L64 Y233	T53-F58 HydrophobicContact CG2-CE2 4.23Å; F54-F58 HydrophobicContact CD2-CB 4.13Å; F54-F58 HydrophobicContact CE2-CB 4.31Å; F54-F58 WeakPolarHBondContact O-CA 3.23Å; F54-F58 WeakPolarHBondContact O-CB 3.33Å; F54-F58 PolarHBondContact O-N 3.23Å; F58-E60 PolarHBondContact O-N 3.45Å; F58-Q61 PolarHBondContact O-N 2.89Å; F58-K62 HydrophobicContact CD1-CD 4.41Å; F58-K62 HydrophobicContact CD1-CG 3.86Å; F58-K62 VanDerWaalsContact CE1-CE 3.49Å; F58-K62 HydrophobicContact CE1-CG 4.39Å; F58-K62 PolarHBondContact O-N 3.45Å; F58-L64 HydrophobicContact CB-CB 4.37Å; F58-L64 HydrophobicContact CD1-CB 3.6Å; F58-L64 HydrophobicContact CD1-CD1 4.09Å; F58-L64 HydrophobicContact CD1-CG 4.3Å; F58-L64 HydrophobicContact CE1-CB 4.04Å; F58-L64 HydrophobicContact CE1-CD1 3.71Å; F58-L64 HydrophobicContact CE1-CG 4.41Å; F58-L64 HydrophobicContact CE2-CD1 4.28Å; F58-L64 HydrophobicContact CG-CB 4.05Å; F58-L64 HydrophobicContact CG-CD2 4.39Å; F58-L64 HydrophobicContact CZ-CD1 3.82Å; F58-Y233 HydrophobicContact CB-CD1 4.45Å; F58-Y233 HydrophobicContact CB-CE1 4.3Å
59	W	98.9	Very high	98.3	Very high	21 Å²	21	67.2 Å²	67.2	8%	0.08	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	125.3	-177.9	-175.9	-103.5	0	0	0	111.6	F54 F55 Q61 F158 E184 F186 Y233 T258 Y259	F54-W59 HydrophobicContact CD1-CB 4.41Å; F54-W59 HydrophobicContact CE1-CB 4.04Å; F54-W59 HydrophobicContact CE1-CD2 4.21Å; F54-W59 AromaticContact CE1-CE3 3.52Å; F54-W59 HydrophobicContact CE1-CE3 3.52Å; F54-W59 HydrophobicContact CE1-CG 4.46Å; F54-W59 HydrophobicContact CE1-CZ3 4.3Å; F54-W59 AromaticContact CZ-CE3 3.72Å; F54-W59 HydrophobicContact CZ-CE3 3.72Å; F54-W59 HydrophobicContact CZ-CZ3 4.39Å; F54-W59 PolarHBondContact O-N 2.87Å; F55-W59 HydrophobicContact CD1-CB 3.76Å; F55-W59 AromaticContact CD1-CD1 3.88Å; F55-W59 HydrophobicContact CD1-CD2 4.08Å; F55-W59 AromaticContact CD1-CG 3.61Å; F55-W59 HydrophobicContact CD1-CG 3.61Å; F55-W59 HydrophobicContact CE1-CB 4.36Å; F55-W59 AromaticContact CE1-CD2 3.82Å; F55-W59 HydrophobicContact CE1-CD2 3.82Å; F55-W59 HydrophobicContact CE1-CE3 4.25Å; F55-W59 AromaticContact CE1-CG 3.88Å; F55-W59 HydrophobicContact CE1-CG 3.88Å; F55-W59 HydrophobicContact CG-CB 4.48Å; W59-Q61 WeakPolarHBondContact O-CG 3.42Å; W59-Q61 PolarHBondContact O-N 3.28Å; W59-F158 HydrophobicContact CH2-CD1 4.17Å; W59-F158 AromaticContact CH2-CE1 3.76Å; W59-F158 HydrophobicContact CH2-CE1 3.76Å; W59-F158 HydrophobicContact CH2-CZ 4.45Å; W59-F158 HydrophobicContact CZ2-CE1 4.44Å; W59-F158 AromaticContact CZ3-CE1 3.89Å; W59-F158 HydrophobicContact CZ3-CE1 3.89Å; W59-F158 HydrophobicContact CZ3-CZ 4.31Å; W59-E184 HydrophobicContact CH2-CB 3.62Å; W59-E184 HydrophobicContact CH2-CG 3.54Å; W59-E184 HydrophobicContact CZ2-CB 4.43Å; W59-E184 HydrophobicContact CZ2-CG 3.85Å; W59-E184 HydrophobicContact CZ3-CB 3.8Å; W59-E184 HydrophobicContact CZ3-CG 3.99Å; W59-F186 HydrophobicContact CZ3-CE2 4.16Å; W59-F186 HydrophobicContact CZ3-CZ 4.06Å; W59-Y233 WeakPolarHBondContact CA-OH 3.36Å; W59-Y233 AromaticContact CE3-CE2 3.72Å; W59-Y233 HydrophobicContact CE3-CE2 3.72Å; W59-Y233 AromaticContact CE3-CZ 3.75Å; W59-Y233 AromaticContact CZ3-CE2 3.81Å; W59-Y233 HydrophobicContact CZ3-CE2 3.81Å; W59-T258 HydrophobicContact CH2-CG2 4.21Å; W59-Y259 HydrophobicContact CH2-CD2 4.02Å; W59-Y259 HydrophobicContact CH2-CE2 4.32Å; W59-Y259 HydrophobicContact CH2-CG 4.11Å; W59-Y259 AromaticContact CZ2-CD1 3.69Å; W59-Y259 HydrophobicContact CZ2-CD1 3.69Å; W59-Y259 AromaticContact CZ2-CD2 3.82Å; W59-Y259 HydrophobicContact CZ2-CD2 3.82Å; W59-Y259 AromaticContact CZ2-CE1 3.73Å; W59-Y259 HydrophobicContact CZ2-CE1 3.73Å; W59-Y259 AromaticContact CZ2-CE2 3.87Å; W59-Y259 HydrophobicContact CZ2-CE2 3.87Å; W59-Y259 AromaticContact CZ2-CG 3.72Å; W59-Y259 HydrophobicContact CZ2-CG 3.72Å; W59-Y259 AromaticContact CZ2-CZ 3.81Å
60	E	98.8	Very high	98.2	Very high	60 Å²	60	68.6 Å²	68.6	28%	0.28	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	16	-178.2	-68.3	-171.6	144.9	0	0	115.4	F58 L205 Y233 R236	F58-E60 PolarHBondContact O-N 3.45Å; E60-L205 HydrophobicContact CB-CD1 4.39Å; E60-L205 HydrophobicContact CB-CD2 3.81Å; E60-L205 HydrophobicContact CG-CD2 4.01Å; E60-Y233 PolarHBondContact N-OH 3.45Å; E60-R236 IonicContact OE1-CZ 2.68Å; E60-R236 VanDerWaalsContact OE1-CZ 3.22Å; E60-R236 IonicContact OE1-NH1 2.66Å; E60-R236 PolarHBondContact OE1-NH1 2.92Å; E60-R236 IonicContact OE1-NH2 3.9Å; E60-R236 PolarHBondContact OE1-NH2 3.21Å
61	Q	98.6	Very high	98	Very high	126 Å²	126	66.9 Å²	66.9	59%	0.589	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-53.1	-174.5	-72.9	177.7	76.3	0	0	113.3	K56 F58 W59	K56-Q61 PolarHBondContact O-NE2 3.42Å; F58-Q61 PolarHBondContact O-N 2.89Å; W59-Q61 WeakPolarHBondContact O-CG 3.42Å; W59-Q61 PolarHBondContact O-N 3.28Å
62	K	98.3	Very high	97.9	Very high	94 Å²	94	69.4 Å²	69.4	41%	0.409	35%	0.348	S	S	.	.	S	Bend	trans	-156.1	157.4	-174.7	69	-171.3	-175.9	-164	0	112.9	E57 F58	E57-K62 WeakPolarHBondContact O-CE 3.32Å; F58-K62 HydrophobicContact CD1-CD 4.41Å; F58-K62 HydrophobicContact CD1-CG 3.86Å; F58-K62 VanDerWaalsContact CE1-CE 3.49Å; F58-K62 HydrophobicContact CE1-CG 4.39Å; F58-K62 PolarHBondContact O-N 3.45Å
63	P	98.9	Very high	97.8	Very high	20 Å²	20	63.6 Å²	63.6	13%	0.13	32%	0.321	C	S	.	.			trans	-59.7	147.6	174.7	-24.8	35.4	0	0	0	113.7	L198 Y233 F234 T238	P63-L198 HydrophobicContact CB-CD1 3.62Å; P63-L198 HydrophobicContact CG-CD1 3.79Å; P63-Y233 CarbonylContact C-O 3.58Å; P63-Y233 VanDerWaalsContact CA-O 3.27Å; P63-Y233 WeakPolarHBondContact CA-O 3.44Å; P63-F234 HydrophobicContact CB-CB 4.05Å; P63-F234 HydrophobicContact CG-CB 4.03Å; P63-T238 HydrophobicContact CG-CG2 4.2Å
64	L	98.9	Very high	97.7	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.2	171.7	171.3	61.1	0	0	0	109.5	I49 F54 F58 I66 L232 Y233	I49-L64 HydrophobicContact CD1-CD1 4.37Å; I49-L64 HydrophobicContact CG1-CD1 4.1Å; I49-L64 HydrophobicContact CG1-CD2 4.12Å; I49-L64 HydrophobicContact CG2-CD2 4.38Å; F54-L64 HydrophobicContact CD2-CD2 3.67Å; F54-L64 HydrophobicContact CE2-CD2 3.99Å; F58-L64 HydrophobicContact CB-CB 4.37Å; F58-L64 HydrophobicContact CD1-CB 3.6Å; F58-L64 HydrophobicContact CD1-CD1 4.09Å; F58-L64 HydrophobicContact CD1-CG 4.3Å; F58-L64 HydrophobicContact CE1-CB 4.04Å; F58-L64 HydrophobicContact CE1-CD1 3.71Å; F58-L64 HydrophobicContact CE1-CG 4.41Å; F58-L64 HydrophobicContact CE2-CD1 4.28Å; F58-L64 HydrophobicContact CG-CB 4.05Å; F58-L64 HydrophobicContact CG-CD2 4.39Å; F58-L64 HydrophobicContact CZ-CD1 3.82Å; L64-I66 HydrophobicContact CD1-CG1 4.16Å; L64-I66 HydrophobicContact CD2-CD1 4.12Å; L64-I66 HydrophobicContact CD2-CG1 4.28Å; L64-I66 HydrophobicContact CG-CD1 4.37Å; L64-I66 HydrophobicContact CG-CG1 3.98Å; L64-L232 WeakPolarHBondContact O-CA 3.21Å; L64-Y233 HydrophobicContact CB-CD1 4.08Å; L64-Y233 PolarHBondContact N-O 3.13Å; L64-Y233 PolarHBondContact O-N 2.95Å
65	L	98.9	Very high	97.7	Very high	56 Å²	56	66.4 Å²	66.4	29%	0.293	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.7	173.3	174.5	63.2	0	0	0	110	Q67 F224 L226	L65-Q67 HydrophobicContact CD1-CG 3.93Å; L65-Q67 HydrophobicContact CD2-CG 4.06Å; L65-Q67 HydrophobicContact CG-CG 3.93Å; L65-F224 HydrophobicContact CD1-CD2 3.83Å; L65-F224 HydrophobicContact CD1-CE2 3.74Å; L65-F224 HydrophobicContact CD1-CG 4.43Å; L65-F224 HydrophobicContact CD1-CZ 4.25Å; L65-F224 HydrophobicContact CD2-CB 3.98Å; L65-F224 HydrophobicContact CD2-CD1 3.86Å; L65-F224 HydrophobicContact CD2-CD2 3.89Å; L65-F224 HydrophobicContact CD2-CE1 4.31Å; L65-F224 HydrophobicContact CD2-CE2 4.35Å; L65-F224 HydrophobicContact CD2-CG 3.63Å; L65-L226 HydrophobicContact CD1-CD2 3.42Å; L65-L226 VanDerWaalsContact CD1-CD2 3.42Å
66	I	98.7	Very high	97.7	Very high	10 Å²	10	64.8 Å²	64.8	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	94.9	174	-48.4	-178.4	0	0	0	108.6	I46 I49 L64 R68 D230 L231	I46-I66 HydrophobicContact CB-CD1 4.3Å; I46-I66 WeakPolarHBondContact O-CD1 3.36Å; I49-I66 HydrophobicContact CG1-CD1 3.94Å; I49-I66 HydrophobicContact CG1-CG1 4.36Å; L64-I66 HydrophobicContact CD1-CG1 4.16Å; L64-I66 HydrophobicContact CD2-CD1 4.12Å; L64-I66 HydrophobicContact CD2-CG1 4.28Å; L64-I66 HydrophobicContact CG-CD1 4.37Å; L64-I66 HydrophobicContact CG-CG1 3.98Å; I66-R68 HydrophobicContact CG2-CG 3.96Å; I66-D230 WeakPolarHBondContact O-CA 3.47Å; I66-L231 HydrophobicContact CB-CB 4.4Å; I66-L231 HydrophobicContact CD1-CD2 4.11Å; I66-L231 HydrophobicContact CG1-CD2 4.42Å; I66-L231 PolarHBondContact N-O 3.19Å; I66-L231 PolarHBondContact O-N 3.44Å
67	Q	98.3	Very high	97.6	Very high	117 Å²	117	57.2 Å²	57.2	55%	0.547	30%	0.299	S	S	.	.			trans	-86.4	124.7	172.8	-71.8	-179.8	-50.3	0	0	110.2	L65 I225 D230	L65-Q67 HydrophobicContact CD1-CG 3.93Å; L65-Q67 HydrophobicContact CD2-CG 4.06Å; L65-Q67 HydrophobicContact CG-CG 3.93Å; Q67-I225 PolarHBondContact NE2-O 2.84Å; Q67-I225 VanDerWaalsContact NE2-O 3.09Å; Q67-D230 WeakPolarHBondContact CA-OD1 3.35Å
68	R	95.4	Very high	97.6	Very high	34 Å²	34	56.5 Å²	56.5	13%	0.128	30%	0.296	C	S	.	.			trans	-115.1	164.8	-175.3	-59.8	-172.4	-177.7	115.5	-7.4	110.8	L45 S47 I66 Y77 K227 G229 D230	L45-R68 PolarHBondContact O-NH2 3.12Å; S47-R68 PolarHBondContact O-NE 2.97Å; S47-R68 PolarHBondContact O-NH2 2.81Å; I66-R68 HydrophobicContact CG2-CG 3.96Å; R68-Y77 PolarHBondContact NH1-OH 3.07Å; R68-Y77 VanDerWaalsContact NH1-OH 3.09Å; R68-K227 WeakPolarHBondContact O-CE 3.2Å; R68-K227 PolarHBondContact O-NZ 2.94Å; R68-G229 WeakPolarHBondContact CD-O 3.23Å; R68-G229 PolarHBondContact NH1-O 3.06Å; R68-D230 PolarHBondContact N-OD1 3.11Å
69	N	94.7	Very high	97.5	Very high	145 Å²	145	57.3 Å²	57.3	78%	0.775	31%	0.306	S	S	*	.			trans	-138	45.5	171.8	-159.4	44.5	0	0	0	110.3	K227	N69-K227 PolarHBondContact OD1-NZ 2.79Å; N69-K227 VanDerWaalsContact OD1-NZ 3.16Å
70	D	95.1	Very high	97.5	Very high	70 Å²	70	56.3 Å²	56.3	37%	0.374	30%	0.302	S	S	.	.			trans	-105.4	108.2	-179.1	-176.5	-22.7	0	0	0	109.8	S72 L73 A74	D70-S72 VanDerWaalsContact C-N 3.26Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 WeakPolarHBondContact OD1-CA 3Å; D70-S72 WeakPolarHBondContact OD1-CB 3.46Å; D70-S72 PolarHBondContact OD1-N 3.36Å; D70-S72 PolarHBondContact OD1-OG 3.5Å; D70-L73 HydrophobicContact CB-CB 3.94Å; D70-L73 PolarHBondContact O-N 2.87Å; D70-L73 PolarHBondContact OD1-N 3.48Å; D70-A74 WeakPolarHBondContact O-CB 3.46Å; D70-A74 PolarHBondContact O-N 3.44Å
71	P	95.6	Very high	97.5	Very high	101 Å²	101	53.5 Å²	53.5	66%	0.656	29%	0.288	S	S	*	.	H	α-helix	trans	-61.8	-31.3	179.6	-23.3	34.4	0	0	0	113.8	T75	P71-T75 WeakPolarHBondContact O-CB 3.46Å; P71-T75 PolarHBondContact O-N 3.19Å; P71-T75 PolarHBondContact O-OG1 2.85Å
72	S	96.2	Very high	97.5	Very high	75 Å²	75	51.7 Å²	51.7	52%	0.524	28%	0.276	S	S	.	.	H	α-helix	trans	-71.7	-45.8	-178.8	73.4	0	0	0	0	110.7	D70 T75 Y76	D70-S72 VanDerWaalsContact C-N 3.26Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 WeakPolarHBondContact OD1-CA 3Å; D70-S72 WeakPolarHBondContact OD1-CB 3.46Å; D70-S72 PolarHBondContact OD1-N 3.36Å; D70-S72 PolarHBondContact OD1-OG 3.5Å; S72-T75 WeakPolarHBondContact O-CB 3.07Å; S72-T75 PolarHBondContact O-N 2.92Å; S72-Y76 PolarHBondContact O-N 3.12Å
73	L	96.6	Very high	97.3	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-39.3	175.5	-173.4	66.4	0	0	0	111.8	A32 D70 T75 Y76 Y77	A32-L73 HydrophobicContact CB-CD1 3.79Å; D70-L73 HydrophobicContact CB-CB 3.94Å; D70-L73 PolarHBondContact O-N 2.87Å; D70-L73 PolarHBondContact OD1-N 3.48Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.41Å; L73-Y76 HydrophobicContact CD1-CD1 4.32Å; L73-Y76 PolarHBondContact O-N 3.09Å; L73-Y77 HydrophobicContact CD1-CD1 3.97Å; L73-Y77 HydrophobicContact CD1-CE1 3.6Å; L73-Y77 HydrophobicContact CG-CD1 4.22Å; L73-Y77 HydrophobicContact CG-CE1 4.03Å; L73-Y77 PolarHBondContact O-N 2.9Å
74	A	97.3	Very high	97.2	Very high	21 Å²	21	49.8 Å²	49.8	17%	0.174	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-44.5	173.6	0	0	0	0	0	111.7	D70 Y77 Q78 P228	D70-A74 WeakPolarHBondContact O-CB 3.46Å; D70-A74 PolarHBondContact O-N 3.44Å; A74-Y77 PolarHBondContact O-N 3.34Å; A74-Q78 WeakPolarHBondContact O-CB 3.41Å; A74-Q78 PolarHBondContact O-N 3.45Å; A74-P228 HydrophobicContact CB-CB 4.14Å; A74-P228 WeakPolarHBondContact CB-O 3.1Å
75	T	97.6	Very high	97	Very high	85 Å²	85	50.5 Å²	50.5	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-41	175.1	-57.4	0	0	0	0	111.5	P71 S72 L73 Q78 S79	P71-T75 WeakPolarHBondContact O-CB 3.46Å; P71-T75 PolarHBondContact O-N 3.19Å; P71-T75 PolarHBondContact O-OG1 2.85Å; S72-T75 WeakPolarHBondContact O-CB 3.07Å; S72-T75 PolarHBondContact O-N 2.92Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.41Å; T75-Q78 PolarHBondContact O-N 3.45Å; T75-S79 PolarHBondContact O-N 3.3Å; T75-S79 VanDerWaalsContact O-N 3.14Å
76	Y	98.1	Very high	96.9	Very high	32 Å²	32	47.8 Å²	47.8	13%	0.125	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-49.6	176	177.7	-104.9	0	0	0	111.8	A32 L33 F35 S72 L73 Q78 S79 L80 E146	A32-Y76 HydrophobicContact CB-CD1 3.75Å; A32-Y76 HydrophobicContact CB-CD2 4.2Å; A32-Y76 HydrophobicContact CB-CG 3.56Å; L33-Y76 HydrophobicContact CB-CE1 4.47Å; L33-Y76 HydrophobicContact CD1-CE1 3.59Å; L33-Y76 HydrophobicContact CG-CD1 4.35Å; L33-Y76 HydrophobicContact CG-CE1 3.68Å; F35-Y76 WeakPolarHBondContact CZ-OH 3.47Å; S72-Y76 PolarHBondContact O-N 3.12Å; L73-Y76 HydrophobicContact CD1-CD1 4.32Å; L73-Y76 PolarHBondContact O-N 3.09Å; Y76-Q78 VanDerWaalsContact C-N 3.3Å; Y76-Q78 PolarHBondContact O-N 3Å; Y76-S79 WeakPolarHBondContact O-CA 3.33Å; Y76-S79 WeakPolarHBondContact O-CB 3.46Å; Y76-S79 PolarHBondContact O-N 3.34Å; Y76-S79 PolarHBondContact O-OG 2.95Å; Y76-L80 HydrophobicContact CE1-CD2 4.13Å; Y76-L80 PolarHBondContact O-N 2.9Å; Y76-E146 PolarHBondContact OH-OE2 3.44Å
77	Y	98.4	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-45.3	176.3	-84.4	26.2	0	0	0	110.6	R68 L73 A74 S79 L80 L188 L190 G229	R68-Y77 PolarHBondContact NH1-OH 3.07Å; R68-Y77 VanDerWaalsContact NH1-OH 3.09Å; L73-Y77 HydrophobicContact CD1-CD1 3.97Å; L73-Y77 HydrophobicContact CD1-CE1 3.6Å; L73-Y77 HydrophobicContact CG-CD1 4.22Å; L73-Y77 HydrophobicContact CG-CE1 4.03Å; L73-Y77 PolarHBondContact O-N 2.9Å; A74-Y77 PolarHBondContact O-N 3.34Å; Y77-S79 PolarHBondContact O-N 3.17Å; Y77-S79 VanDerWaalsContact O-N 3.11Å; Y77-L80 HydrophobicContact CD1-CD1 4.33Å; Y77-L80 VanDerWaalsContact O-CB 3.29Å; Y77-L80 WeakPolarHBondContact O-CB 3.46Å; Y77-L80 WeakPolarHBondContact O-CG 3.16Å; Y77-L80 PolarHBondContact O-N 3.4Å; Y77-L188 HydrophobicContact CD1-CD2 4.35Å; Y77-L188 HydrophobicContact CD2-CB 3.81Å; Y77-L188 HydrophobicContact CD2-CD2 4.24Å; Y77-L188 HydrophobicContact CD2-CG 4.1Å; Y77-L188 HydrophobicContact CE1-CD2 3.91Å; Y77-L188 HydrophobicContact CE1-CG 4.49Å; Y77-L188 HydrophobicContact CE2-CB 3.68Å; Y77-L188 HydrophobicContact CE2-CD2 3.8Å; Y77-L188 HydrophobicContact CE2-CG 3.49Å; Y77-L188 VanDerWaalsContact CE2-CG 3.49Å; Y77-L190 HydrophobicContact CD2-CD2 4.43Å; Y77-L190 HydrophobicContact CG-CD2 4.39Å; Y77-L190 WeakPolarHBondContact O-CD2 3.16Å; Y77-G229 VanDerWaalsContact CD2-CA 3.48Å; Y77-G229 WeakPolarHBondContact CE2-O 3.43Å
78	Q	97.6	Very high	96.5	Very high	69 Å²	69	53.7 Å²	53.7	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-27.5	175.7	-169.2	177.5	29.4	0	0	113.5	A74 T75 Y76 L80 R82 L190 E191	A74-Q78 WeakPolarHBondContact O-CB 3.41Å; A74-Q78 PolarHBondContact O-N 3.45Å; T75-Q78 PolarHBondContact O-N 3.45Å; Y76-Q78 VanDerWaalsContact C-N 3.3Å; Y76-Q78 PolarHBondContact O-N 3Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-R82 HydrophobicContact CG-CG 4.4Å; Q78-R82 WeakPolarHBondContact O-CG 3.38Å; Q78-R82 PolarHBondContact O-NE 3.42Å; Q78-R82 VanDerWaalsContact O-NE 3.11Å; Q78-L190 WeakPolarHBondContact CA-O 3.45Å; Q78-L190 WeakPolarHBondContact CB-O 3.41Å; Q78-E191 HydrophobicContact CG-CG 3.91Å
79	S	97.8	Very high	96.6	Very high	46 Å²	46	52.2 Å²	52.2	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-74.8	-23.4	177.8	81.4	0	0	0	0	113.5	T75 Y76 Y77 F81	T75-S79 PolarHBondContact O-N 3.3Å; T75-S79 VanDerWaalsContact O-N 3.14Å; Y76-S79 WeakPolarHBondContact O-CA 3.33Å; Y76-S79 WeakPolarHBondContact O-CB 3.46Å; Y76-S79 PolarHBondContact O-N 3.34Å; Y76-S79 PolarHBondContact O-OG 2.95Å; Y77-S79 PolarHBondContact O-N 3.17Å; Y77-S79 VanDerWaalsContact O-N 3.11Å; S79-F81 VanDerWaalsContact C-N 3.33Å; S79-F81 PolarHBondContact O-N 3.33Å
80	L	98.4	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-40.9	-177.4	-61.9	-179.4	0	0	0	112.1	Y76 Y77 Q78 K144 E146 L147 I150 L188 L190	Y76-L80 HydrophobicContact CE1-CD2 4.13Å; Y76-L80 PolarHBondContact O-N 2.9Å; Y77-L80 HydrophobicContact CD1-CD1 4.33Å; Y77-L80 VanDerWaalsContact O-CB 3.29Å; Y77-L80 WeakPolarHBondContact O-CB 3.46Å; Y77-L80 WeakPolarHBondContact O-CG 3.16Å; Y77-L80 PolarHBondContact O-N 3.4Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; L80-K144 WeakPolarHBondContact O-CE 3.37Å; L80-E146 HydrophobicContact CD2-CB 3.77Å; L80-L147 HydrophobicContact CB-CD2 4.15Å; L80-L147 HydrophobicContact CB-CG 4.32Å; L80-L147 HydrophobicContact CD1-CD2 4.39Å; L80-I150 HydrophobicContact CD1-CD1 4.16Å; L80-I150 HydrophobicContact CD2-CD1 3.65Å; L80-L188 HydrophobicContact CD1-CD2 3.9Å; L80-L190 HydrophobicContact CB-CD1 4.37Å; L80-L190 HydrophobicContact CB-CD2 4.49Å; L80-L190 HydrophobicContact CD1-CD2 4.23Å
81	F	98.7	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.			trans	-161.8	134.3	173.4	-156.6	-78.7	0	0	0	111	S79 M86 I89 F137 P140 K144 L147 V166 M168 L190	S79-F81 VanDerWaalsContact C-N 3.33Å; S79-F81 PolarHBondContact O-N 3.33Å; F81-M86 HydrophobicContact CE1-CG 4.26Å; F81-M86 HydrophobicContact CE1-SD 3.95Å; F81-M86 HydrophobicContact CZ-SD 3.72Å; F81-I89 HydrophobicContact CE2-CD1 3.76Å; F81-I89 HydrophobicContact CZ-CD1 3.75Å; F81-F137 AromaticContact CE2-CD1 3.6Å; F81-F137 HydrophobicContact CE2-CD1 3.6Å; F81-F137 AromaticContact CE2-CE1 3.7Å; F81-F137 HydrophobicContact CE2-CE1 3.7Å; F81-F137 AromaticContact CZ-CD1 3.57Å; F81-F137 HydrophobicContact CZ-CD1 3.57Å; F81-F137 AromaticContact CZ-CE1 3.9Å; F81-F137 HydrophobicContact CZ-CE1 3.9Å; F81-F137 HydrophobicContact CZ-CG 4.27Å; F81-P140 HydrophobicContact CD2-CB 3.77Å; F81-P140 HydrophobicContact CE2-CB 3.77Å; F81-K144 HydrophobicContact CD2-CD 4.35Å; F81-K144 HydrophobicContact CD2-CG 3.79Å; F81-K144 HydrophobicContact CE2-CG 4.08Å; F81-L147 HydrophobicContact CB-CD1 4.49Å; F81-L147 HydrophobicContact CD2-CD1 4.36Å; F81-V166 HydrophobicContact CB-CG2 4.06Å; F81-V166 HydrophobicContact CD1-CB 4.42Å; F81-V166 HydrophobicContact CD1-CG1 3.73Å; F81-V166 HydrophobicContact CD1-CG2 4.21Å; F81-V166 HydrophobicContact CD2-CG2 3.93Å; F81-V166 HydrophobicContact CE1-CG1 4.07Å; F81-V166 HydrophobicContact CE2-CG2 4.46Å; F81-V166 HydrophobicContact CG-CB 4.49Å; F81-V166 HydrophobicContact CG-CG1 4.16Å; F81-V166 HydrophobicContact CG-CG2 3.8Å; F81-M168 HydrophobicContact CE1-CE 4.29Å; F81-M168 HydrophobicContact CE1-SD 4.24Å; F81-L190 HydrophobicContact CB-CD1 3.81Å
82	R	97.7	Very high	96.5	Very high	88 Å²	88	50.1 Å²	50.1	33%	0.332	26%	0.262	S	S	.	.			trans	-121.9	150.6	175.1	-61.1	-179.1	-179.5	179.2	-4.8	111.5	Q78 S84 D85	Q78-R82 HydrophobicContact CG-CG 4.4Å; Q78-R82 WeakPolarHBondContact O-CG 3.38Å; Q78-R82 PolarHBondContact O-NE 3.42Å; Q78-R82 VanDerWaalsContact O-NE 3.11Å; R82-S84 WeakPolarHBondContact CB-OG 3.41Å; R82-S84 PolarHBondContact O-N 3Å; R82-S84 VanDerWaalsContact O-N 3.12Å; R82-D85 PolarHBondContact N-OD2 3.03Å; R82-D85 VanDerWaalsContact O-CB 3.27Å; R82-D85 WeakPolarHBondContact O-CB 3.48Å; R82-D85 PolarHBondContact O-N 3.31Å
83	L	95.3	Very high	96.3	Very high	4 Å²	4	48 Å²	48	2%	0.021	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.9	171.6	176.9	60.7	0	0	0	112.5	D85 M86 F128 I135 M168 E191	L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 3.38Å; L83-M86 WeakPolarHBondContact O-CB 3.33Å; L83-M86 PolarHBondContact O-N 3.45Å; L83-F128 HydrophobicContact CD2-CE1 3.96Å; L83-F128 HydrophobicContact CD2-CE2 4.45Å; L83-F128 HydrophobicContact CD2-CZ 3.87Å; L83-I135 HydrophobicContact CD1-CD1 4.28Å; L83-M168 HydrophobicContact CB-SD 4.08Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 HydrophobicContact CD1-CG 4.22Å; L83-M168 HydrophobicContact CD1-SD 3.4Å; L83-M168 WeakPolarHBondContact CD1-SD 3.46Å; L83-M168 HydrophobicContact CG-SD 4.33Å; L83-E191 PolarHBondContact N-OE2 3.45Å
84	S	95.1	Very high	96.3	Very high	71 Å²	71	47.5 Å²	47.5	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.8	174.8	54.8	0	0	0	0	113.9	R82 M86 N87	R82-S84 WeakPolarHBondContact CB-OG 3.41Å; R82-S84 PolarHBondContact O-N 3Å; R82-S84 VanDerWaalsContact O-N 3.12Å; S84-M86 PolarHBondContact O-N 3.19Å; S84-N87 PolarHBondContact O-N 3.05Å
85	D	96.6	Very high	96.3	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-29.1	-179.5	-65.1	-23.6	0	0	0	111.4	R82 L83 N87 R88 I89 K144	R82-D85 PolarHBondContact N-OD2 3.03Å; R82-D85 VanDerWaalsContact O-CB 3.27Å; R82-D85 WeakPolarHBondContact O-CB 3.48Å; R82-D85 PolarHBondContact O-N 3.31Å; L83-D85 VanDerWaalsContact C-N 3.29Å; L83-D85 PolarHBondContact O-N 3.38Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 VanDerWaalsContact O-N 3.1Å; D85-R88 PolarHBondContact O-N 3.1Å; D85-R88 VanDerWaalsContact O-N 3.09Å; D85-I89 HydrophobicContact CB-CD1 3.95Å; D85-I89 WeakPolarHBondContact O-CG1 3.39Å; D85-I89 PolarHBondContact O-N 3.44Å; D85-K144 IonicContact OD1-NZ 3.22Å; D85-K144 IonicContact OD2-NZ 3.78Å; D85-K144 PolarHBondContact OD2-NZ 3.2Å
86	M	96.1	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-30.3	178.6	-68.8	-58.3	-61.4	0	0	113.2	F81 L83 S84 C90 L94 V100 F121 L124 F137 M168	F81-M86 HydrophobicContact CE1-CG 4.26Å; F81-M86 HydrophobicContact CE1-SD 3.95Å; F81-M86 HydrophobicContact CZ-SD 3.72Å; L83-M86 WeakPolarHBondContact O-CB 3.33Å; L83-M86 PolarHBondContact O-N 3.45Å; S84-M86 PolarHBondContact O-N 3.19Å; M86-C90 VanDerWaalsContact O-CB 3.26Å; M86-C90 WeakPolarHBondContact O-CB 3.39Å; M86-C90 PolarHBondContact O-N 2.93Å; M86-C90 PolarHBondContact O-SG 3.33Å; M86-L94 HydrophobicContact CE-CD1 4.32Å; M86-V100 HydrophobicContact CE-CG2 4.48Å; M86-F121 HydrophobicContact CB-CD2 3.85Å; M86-F121 HydrophobicContact CB-CE2 3.84Å; M86-L124 HydrophobicContact CE-CD1 3.53Å; M86-F137 HydrophobicContact CE-CD2 4.05Å; M86-F137 HydrophobicContact CE-CE2 4.48Å; M86-F137 HydrophobicContact SD-CD2 4.19Å; M86-F137 HydrophobicContact SD-CG 4.21Å; M86-M168 HydrophobicContact CG-CE 4.05Å; M86-M168 HydrophobicContact CG-SD 3.99Å; M86-M168 HydrophobicContact SD-CE 4Å
87	N	93.9	Very high	96.2	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-48.4	178.1	-171.5	29	0	0	0	111.3	S84 D85 F121	S84-N87 PolarHBondContact O-N 3.05Å; D85-N87 PolarHBondContact O-N 2.97Å; D85-N87 VanDerWaalsContact O-N 3.1Å; N87-F121 HydrophobicContact CB-CD1 3.83Å; N87-F121 HydrophobicContact CB-CD2 4.2Å; N87-F121 HydrophobicContact CB-CE1 3.76Å; N87-F121 HydrophobicContact CB-CE2 4.14Å; N87-F121 HydrophobicContact CB-CG 4.04Å; N87-F121 HydrophobicContact CB-CZ 3.9Å; N87-F121 VanDerWaalsContact OD1-CD1 3.27Å; N87-F121 WeakPolarHBondContact OD1-CD1 3.34Å
88	R	95.4	Very high	96.1	Very high	164 Å²	164	54 Å²	54	62%	0.619	28%	0.275	S	S	*	.	H	α-helix	trans	-74.6	-39	179.9	-174.2	175.3	65.6	-155.1	1.2	112	D85 L91	D85-R88 PolarHBondContact O-N 3.1Å; D85-R88 VanDerWaalsContact O-N 3.09Å; R88-L91 WeakPolarHBondContact O-CB 3.49Å; R88-L91 PolarHBondContact O-N 3.2Å
89	I	96.1	Very high	96.1	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-39.7	-178.5	-60.5	170.5	0	0	0	110.7	F81 D85 L91 Q92 L94 F137 F143	F81-I89 HydrophobicContact CE2-CD1 3.76Å; F81-I89 HydrophobicContact CZ-CD1 3.75Å; D85-I89 HydrophobicContact CB-CD1 3.95Å; D85-I89 WeakPolarHBondContact O-CG1 3.39Å; D85-I89 PolarHBondContact O-N 3.44Å; I89-L91 PolarHBondContact O-N 3.44Å; I89-L91 VanDerWaalsContact O-N 3.15Å; I89-Q92 WeakPolarHBondContact O-CB 3.48Å; I89-Q92 PolarHBondContact O-N 3.27Å; I89-L94 HydrophobicContact CG2-CD1 3.9Å; I89-L94 HydrophobicContact CG2-CD2 4.12Å; I89-L94 HydrophobicContact CG2-CG 4.33Å; I89-F137 HydrophobicContact CG2-CE2 4.3Å; I89-F137 HydrophobicContact CG2-CZ 3.75Å; I89-F143 HydrophobicContact CD1-CB 4.34Å; I89-F143 HydrophobicContact CG1-CB 4.44Å; I89-F143 HydrophobicContact CG2-CB 4.38Å; I89-F143 HydrophobicContact CG2-CD1 4.05Å; I89-F143 HydrophobicContact CG2-CD2 4.2Å; I89-F143 HydrophobicContact CG2-CE1 4.36Å; I89-F143 HydrophobicContact CG2-CG 3.95Å
90	C	94.9	Very high	96.1	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-29.8	176.5	-76.4	0	0	0	0	113.4	M86 Q92 G93 F121	M86-C90 VanDerWaalsContact O-CB 3.26Å; M86-C90 WeakPolarHBondContact O-CB 3.39Å; M86-C90 PolarHBondContact O-N 2.93Å; M86-C90 PolarHBondContact O-SG 3.33Å; C90-Q92 PolarHBondContact O-N 3.04Å; C90-G93 PolarHBondContact O-N 2.91Å; C90-F121 HydrophobicContact CB-CB 4.17Å
91	L	94.3	Very high	96.1	Very high	146 Å²	146	50.3 Å²	50.3	76%	0.764	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.5	176.9	-60.9	174.5	0	0	0	113	R88 I89 G93	R88-L91 WeakPolarHBondContact O-CB 3.49Å; R88-L91 PolarHBondContact O-N 3.2Å; I89-L91 PolarHBondContact O-N 3.44Å; I89-L91 VanDerWaalsContact O-N 3.15Å; L91-G93 VanDerWaalsContact C-N 3.25Å; L91-G93 PolarHBondContact O-N 3.48Å
92	Q	93.6	Very high	96.1	Very high	116 Å²	116	50.3 Å²	50.3	54%	0.542	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.6	178.6	-54.3	-176.5	35.8	0	0	113.2	I89 C90 F143	I89-Q92 WeakPolarHBondContact O-CB 3.48Å; I89-Q92 PolarHBondContact O-N 3.27Å; C90-Q92 PolarHBondContact O-N 3.04Å; Q92-F143 VanDerWaalsContact OE1-CD1 3.28Å
93	G	93.8	Very high	96.1	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	58.9	172.7	0	0	0	0	0	114.6	C90 L91	C90-G93 PolarHBondContact O-N 2.91Å; L91-G93 VanDerWaalsContact C-N 3.25Å; L91-G93 PolarHBondContact O-N 3.48Å
94	L	96.3	Very high	96.1	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.254	C	S	.	.			trans	-78.4	155.9	175.2	-56.5	178.4	0	0	0	112.8	M86 I89 D99 V100 K118 V119 F137 F143	M86-L94 HydrophobicContact CE-CD1 4.32Å; I89-L94 HydrophobicContact CG2-CD1 3.9Å; I89-L94 HydrophobicContact CG2-CD2 4.12Å; I89-L94 HydrophobicContact CG2-CG 4.33Å; L94-D99 HydrophobicContact CB-CB 4.13Å; L94-D99 HydrophobicContact CD2-CB 3.97Å; L94-V100 HydrophobicContact CB-CG2 4.26Å; L94-V100 HydrophobicContact CD1-CG2 3.87Å; L94-K118 CarbonylContact O-C 3.52Å; L94-K118 VanDerWaalsContact O-CA 3.24Å; L94-K118 WeakPolarHBondContact O-CA 3.15Å; L94-V119 HydrophobicContact CB-CB 4.07Å; L94-V119 HydrophobicContact CB-CG2 4.12Å; L94-V119 PolarHBondContact O-N 3.43Å; L94-F137 HydrophobicContact CD1-CD2 4.4Å; L94-F137 HydrophobicContact CD1-CE2 3.59Å; L94-F137 HydrophobicContact CD1-CZ 4.36Å; L94-F137 HydrophobicContact CD2-CE2 4.04Å; L94-F137 HydrophobicContact CD2-CZ 4.36Å; L94-F137 HydrophobicContact CG-CE2 4.44Å; L94-F143 HydrophobicContact CD2-CE1 4.31Å; L94-F143 HydrophobicContact CD2-CE2 4.13Å; L94-F143 HydrophobicContact CD2-CZ 3.67Å
95	Y	96.9	Very high	96.2	Very high	104 Å²	104	48 Å²	48	41%	0.408	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-122.2	142.8	176.3	-72.8	-99.8	0	0	0	112.8	D99 V100 K118 V119	Y95-D99 PolarHBondContact N-OD2 3.4Å; Y95-D99 PolarHBondContact O-N 3.33Å; Y95-V100 PolarHBondContact O-N 3.01Å; Y95-K118 HydrophobicContact CD1-CG 4.28Å; Y95-K118 HydrophobicContact CE1-CG 3.76Å; Y95-K118 HydrophobicContact CE2-CG 4.14Å; Y95-K118 WeakPolarHBondContact OH-CE 3.44Å; Y95-V119 VanDerWaalsContact C-CG2 3.49Å
96	Y	97.9	Very high	96	Very high	23 Å²	23	50 Å²	50	9%	0.09	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-64.3	143.9	171.6	-77.7	-75.9	0	0	0	110.9	K98 V100 V102 N114 K115 G117 V119 L124	Y96-K98 PolarHBondContact O-N 2.88Å; Y96-V100 CarbonylContact C-O 3.59Å; Y96-V100 VanDerWaalsContact CA-O 3.31Å; Y96-V100 WeakPolarHBondContact CA-O 3.41Å; Y96-V102 HydrophobicContact CE1-CG2 3.85Å; Y96-N114 HydrophobicContact CD1-CB 4.07Å; Y96-N114 HydrophobicContact CG-CB 4.38Å; Y96-K115 WeakPolarHBondContact CB-O 3.34Å; Y96-K115 HydrophobicContact CD2-CB 3.8Å; Y96-K115 WeakPolarHBondContact CD2-O 3.37Å; Y96-K115 HydrophobicContact CE2-CB 3.59Å; Y96-K115 HydrophobicContact CE2-CG 4.02Å; Y96-G117 PolarHBondContact N-O 3.45Å; Y96-V119 HydrophobicContact CD1-CG2 4.14Å; Y96-V119 HydrophobicContact CD2-CG2 3.75Å; Y96-V119 HydrophobicContact CE1-CG1 4.43Å; Y96-V119 HydrophobicContact CE1-CG2 4.29Å; Y96-V119 HydrophobicContact CE2-CB 4.22Å; Y96-V119 HydrophobicContact CE2-CG1 4.31Å; Y96-V119 HydrophobicContact CE2-CG2 3.9Å; Y96-V119 HydrophobicContact CG-CG2 3.88Å; Y96-L124 HydrophobicContact CE1-CD2 4Å
97	G	95.4	Very high	95.6	Very high	38 Å²	38	57.6 Å²	57.6	39%	0.392	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-50.6	-176.9	0	0	0	0	0	112.9	V100 N101 N114 H138	G97-V100 PolarHBondContact N-O 3.42Å; G97-N101 WeakPolarHBondContact CA-OD1 3.5Å; G97-N114 PolarHBondContact N-ND2 3.21Å; G97-H138 PolarHBondContact O-CE1 3.33Å
98	K	95.3	Very high	95.3	Very high	111 Å²	111	55.1 Å²	55.1	48%	0.483	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-61.6	176.9	-176.8	173.8	-178.5	170.3	0	111.4	Y96 H138 M406	Y96-K98 PolarHBondContact O-N 2.88Å; K98-H138 PolarHBondContact O-ND1 2.93Å; K98-M406 HydrophobicContact CD-CE 4.42Å; K98-M406 HydrophobicContact CG-CE 3.57Å; K98-M406 WeakPolarHBondContact O-CE 3.42Å
99	D	97.6	Very high	95.1	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-32.2	-173.4	-51.4	-73.4	0	0	0	112.8	L94 Y95 F137 H138 R142	L94-D99 HydrophobicContact CB-CB 4.13Å; L94-D99 HydrophobicContact CD2-CB 3.97Å; Y95-D99 PolarHBondContact N-OD2 3.4Å; Y95-D99 PolarHBondContact O-N 3.33Å; D99-F137 HydrophobicContact CB-CE2 4.5Å; D99-F137 WeakPolarHBondContact O-CD2 3.44Å; D99-H138 PolarHBondContact O-N 3.04Å; D99-R142 IonicContact OD1-CZ 3.68Å; D99-R142 IonicContact OD1-NH1 2.67Å; D99-R142 PolarHBondContact OD1-NH1 2.98Å; D99-R142 IonicContact OD1-NH2 3.21Å; D99-R142 PolarHBondContact OD1-NH2 2.76Å
100	V	98.2	Very high	95	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.4	-174.7	-161.4	0	0	0	0	111.7	M86 L94 Y95 Y96 G97 V119 L124 I135 Q136 F137	M86-V100 HydrophobicContact CE-CG2 4.48Å; L94-V100 HydrophobicContact CB-CG2 4.26Å; L94-V100 HydrophobicContact CD1-CG2 3.87Å; Y95-V100 PolarHBondContact O-N 3.01Å; Y96-V100 CarbonylContact C-O 3.59Å; Y96-V100 VanDerWaalsContact CA-O 3.31Å; Y96-V100 WeakPolarHBondContact CA-O 3.41Å; G97-V100 PolarHBondContact N-O 3.42Å; V100-V119 HydrophobicContact CB-CG2 4.03Å; V100-V119 HydrophobicContact CG2-CB 4.4Å; V100-V119 HydrophobicContact CG2-CG1 4.26Å; V100-V119 HydrophobicContact CG2-CG2 3.79Å; V100-L124 HydrophobicContact CG1-CD1 4.47Å; V100-L124 HydrophobicContact CG1-CD2 4.1Å; V100-I135 HydrophobicContact CG1-CG2 3.68Å; V100-Q136 CarbonylContact C-O 3.58Å; V100-Q136 WeakPolarHBondContact CA-O 3.48Å; V100-F137 HydrophobicContact CG2-CD2 3.82Å; V100-F137 HydrophobicContact CG2-CE2 4.14Å
101	N	98.3	Very high	95.1	Very high	29 Å²	29	63.3 Å²	63.3	16%	0.155	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.2	166.5	-78.8	-36.1	0	0	0	110.5	G97 N114 Q136 H138	G97-N101 WeakPolarHBondContact CA-OD1 3.5Å; N101-N114 WeakPolarHBondContact CA-OD1 3.48Å; N101-N114 PolarHBondContact OD1-ND2 3.2Å; N101-Q136 HydrophobicContact CB-CB 4.07Å; N101-Q136 PolarHBondContact N-O 3.46Å; N101-Q136 PolarHBondContact ND2-OE1 2.92Å; N101-Q136 PolarHBondContact O-N 2.93Å; N101-H138 PolarHBondContact ND2-CE1 2.97Å; N101-H138 PolarHBondContact ND2-NE2 2.98Å; N101-H138 VanDerWaalsContact ND2-NE2 3.15Å
102	V	98.4	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.7	172	-178.1	0	0	0	0	107.5	Y96 L113 N114 L124 D127 A133 T134	Y96-V102 HydrophobicContact CE1-CG2 3.85Å; V102-L113 HydrophobicContact CB-CB 4.36Å; V102-L113 HydrophobicContact CG1-CB 4.02Å; V102-L113 HydrophobicContact CG1-CD1 4.48Å; V102-L113 PolarHBondContact O-N 3.09Å; V102-N114 PolarHBondContact N-OD1 3.26Å; V102-N114 PolarHBondContact O-OD1 3.08Å; V102-L124 HydrophobicContact CG2-CD2 3.55Å; V102-D127 HydrophobicContact CG1-CB 4.05Å; V102-A133 HydrophobicContact CG1-CB 3.49Å; V102-A133 VanDerWaalsContact CG1-CB 3.49Å; V102-T134 CarbonylContact C-O 3.56Å; V102-T134 WeakPolarHBondContact CA-O 3.4Å
103	C	97.8	Very high	95.3	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162	-174.4	65.4	0	0	0	0	113.2	K110 K111 A133 T134	C103-K110 HydrophobicContact CB-CG 4.18Å; C103-K111 CarbonylContact C-O 3.54Å; C103-K111 VanDerWaalsContact CA-O 3.24Å; C103-K111 WeakPolarHBondContact CA-O 3.47Å; C103-A133 CarbonylContact O-C 3.38Å; C103-T134 PolarHBondContact N-O 2.84Å; C103-T134 PolarHBondContact O-N 3.46Å
104	R	97.1	Very high	95.5	Very high	93 Å²	93	57.2 Å²	57.2	35%	0.351	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.7	173.4	-176.4	172	173.9	-174.9	-3.3	110	I106 K111 L113 K131 G175	R104-I106 HydrophobicContact CG-CG1 4.04Å; R104-K111 PolarHBondContact N-O 2.95Å; R104-K111 WeakPolarHBondContact O-CB 3.4Å; R104-K111 PolarHBondContact O-N 3.25Å; R104-L113 HydrophobicContact CB-CD1 4.36Å; R104-K131 WeakPolarHBondContact CD-O 3.34Å; R104-K131 PolarHBondContact NH1-O 3.4Å; R104-G175 CarbonylContact C-O 3.6Å; R104-G175 WeakPolarHBondContact CA-O 3.31Å
105	C	96.4	Very high	95.4	Very high	21 Å²	21	61.8 Å²	61.8	14%	0.142	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.4	170.6	-172.1	0	0	0	0	108.7	K109 Q174 G175	C105-K109 WeakPolarHBondContact CA-O 3.4Å; C105-Q174 HydrophobicContact CB-CB 4.14Å; C105-Q174 HydrophobicContact CB-CG 3.77Å; C105-Q174 WeakPolarHBondContact CB-O 3.17Å; C105-Q174 PolarHBondContact N-O 3.14Å; C105-G175 PolarHBondContact N-O 3.22Å
106	I	92.3	Very high	95.2	Very high	64 Å²	64	62.5 Å²	62.5	33%	0.328	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.2	176	-55.1	-176.7	0	0	0	107.3	R104 G108 K109 K111	R104-I106 HydrophobicContact CG-CG1 4.04Å; I106-G108 VanDerWaalsContact C-N 3.3Å; I106-G108 PolarHBondContact O-N 3.08Å; I106-K109 PolarHBondContact N-O 3.3Å; I106-K109 PolarHBondContact O-N 3.23Å; I106-K111 HydrophobicContact CD1-CB 4.26Å; I106-K111 HydrophobicContact CD1-CD 3.61Å; I106-K111 HydrophobicContact CG1-CB 4.48Å
107	N	88.8	Confident	95.1	Very high	159 Å²	159	63.2 Å²	63.2	85%	0.85	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.1	179.7	-55.5	-15.9	0	0	0	112.7	K109	N107-K109 PolarHBondContact O-N 3.32Å
108	G	86.6	Confident	95.1	Very high	35 Å²	35	67.1 Å²	67.1	36%	0.361	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.9	179.9	0	0	0	0	0	115.1	I106 P177	I106-G108 VanDerWaalsContact C-N 3.3Å; I106-G108 PolarHBondContact O-N 3.08Å; G108-P177 VanDerWaalsContact O-CB 3.25Å; G108-P177 WeakPolarHBondContact O-CB 3.44Å
109	K	90.9	Very high	95.2	Very high	159 Å²	159	62 Å²	62	69%	0.691	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.5	178.6	-63.7	-175.2	-179.4	-176.8	0	112	C105 I106 N107 K111	C105-K109 WeakPolarHBondContact CA-O 3.4Å; I106-K109 PolarHBondContact N-O 3.3Å; I106-K109 PolarHBondContact O-N 3.23Å; N107-K109 PolarHBondContact O-N 3.32Å; K109-K111 PolarHBondContact O-N 2.83Å
110	K	94.2	Very high	95.1	Very high	75 Å²	75	67.7 Å²	67.7	33%	0.326	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	112.3	172	-174.4	179.2	-177	172	0	109.4	C103 L176 P177	C103-K110 HydrophobicContact CB-CG 4.18Å; K110-L176 HydrophobicContact CD-CD2 3.62Å; K110-L176 VanDerWaalsContact CE-CD2 3.46Å; K110-L176 HydrophobicContact CG-CD2 4.01Å; K110-P177 HydrophobicContact CB-CG 4.17Å
111	K	96.6	Very high	95	Very high	116 Å²	116	69.4 Å²	69.4	50%	0.504	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.6	168.4	-174.4	173.4	-176.5	172.9	0	109.4	C103 R104 I106 K109 L113	C103-K111 CarbonylContact C-O 3.54Å; C103-K111 VanDerWaalsContact CA-O 3.24Å; C103-K111 WeakPolarHBondContact CA-O 3.47Å; R104-K111 PolarHBondContact N-O 2.95Å; R104-K111 WeakPolarHBondContact O-CB 3.4Å; R104-K111 PolarHBondContact O-N 3.25Å; I106-K111 HydrophobicContact CD1-CB 4.26Å; I106-K111 HydrophobicContact CD1-CD 3.61Å; I106-K111 HydrophobicContact CG1-CB 4.48Å; K109-K111 PolarHBondContact O-N 2.83Å; K111-L113 HydrophobicContact CD-CD2 4.28Å; K111-L113 HydrophobicContact CG-CD2 4.22Å
112	V	96.6	Very high	94.9	Very high	87 Å²	87	75 Å²	75	53%	0.527	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.6	173.7	-178.8	0	0	0	0	109.5	N114	V112-N114 HydrophobicContact CG1-CB 3.88Å
113	L	96.8	Very high	94.8	Very high	31 Å²	31	77.6 Å²	77.6	16%	0.162	40%	0.403	C	S	.	.			trans	-121.6	11.9	-176.4	-62	171.3	0	0	0	112.3	V102 R104 K111 K131 A133	V102-L113 HydrophobicContact CB-CB 4.36Å; V102-L113 HydrophobicContact CG1-CB 4.02Å; V102-L113 HydrophobicContact CG1-CD1 4.48Å; V102-L113 PolarHBondContact O-N 3.09Å; R104-L113 HydrophobicContact CB-CD1 4.36Å; K111-L113 HydrophobicContact CD-CD2 4.28Å; K111-L113 HydrophobicContact CG-CD2 4.22Å; L113-K131 HydrophobicContact CD1-CD 4.45Å; L113-A133 HydrophobicContact CD1-CB 3.72Å
114	N	97.2	Very high	94.7	Very high	46 Å²	46	77.6 Å²	77.6	25%	0.246	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-50.5	146.3	177.5	-70.1	10.4	0	0	0	112	Y96 G97 N101 V102 V112	Y96-N114 HydrophobicContact CD1-CB 4.07Å; Y96-N114 HydrophobicContact CG-CB 4.38Å; G97-N114 PolarHBondContact N-ND2 3.21Å; N101-N114 WeakPolarHBondContact CA-OD1 3.48Å; N101-N114 PolarHBondContact OD1-ND2 3.2Å; V102-N114 PolarHBondContact N-OD1 3.26Å; V102-N114 PolarHBondContact O-OD1 3.08Å; V112-N114 HydrophobicContact CG1-CB 3.88Å
115	K	94.4	Very high	94.7	Very high	98 Å²	98	76.8 Å²	76.8	43%	0.426	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-96.9	170.6	166.4	-52.2	-56.6	-176.3	179.7	0	109.5	Y96 Q123	Y96-K115 WeakPolarHBondContact CB-O 3.34Å; Y96-K115 HydrophobicContact CD2-CB 3.8Å; Y96-K115 WeakPolarHBondContact CD2-O 3.37Å; Y96-K115 HydrophobicContact CE2-CB 3.59Å; Y96-K115 HydrophobicContact CE2-CG 4.02Å; K115-Q123 HydrophobicContact CG-CG 4.31Å
116	S	93.6	Very high	94.7	Very high	119 Å²	119	80.6 Å²	80.6	83%	0.832	41%	0.414	S	S	*	.	S	Bend	trans	-80	143.4	169.5	49	0	0	0	0	110.6
117	G	94.7	Very high	95	Very high	38 Å²	38	77.5 Å²	77.5	39%	0.392	40%	0.398	S	S	.	.	S	Bend	trans	78.3	-145.6	170.6	0	0	0	0	0	115.2	Y96	Y96-G117 PolarHBondContact N-O 3.45Å
118	K	96	Very high	95.4	Very high	121 Å²	121	70.3 Å²	70.3	53%	0.526	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-69.5	145.1	-171.7	-69.2	-173.5	178.7	-175.1	0	112.6	L94 Y95	L94-K118 CarbonylContact O-C 3.52Å; L94-K118 VanDerWaalsContact O-CA 3.24Å; L94-K118 WeakPolarHBondContact O-CA 3.15Å; Y95-K118 HydrophobicContact CD1-CG 4.28Å; Y95-K118 HydrophobicContact CE1-CG 3.76Å; Y95-K118 HydrophobicContact CE2-CG 4.14Å; Y95-K118 WeakPolarHBondContact OH-CE 3.44Å
119	V	96.8	Very high	95.8	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.018	36%	0.362	C	S	.	.			trans	-84.8	130.7	177.3	-173.3	0	0	0	0	110.4	L94 Y95 Y96 V100 L124	L94-V119 HydrophobicContact CB-CB 4.07Å; L94-V119 HydrophobicContact CB-CG2 4.12Å; L94-V119 PolarHBondContact O-N 3.43Å; Y95-V119 VanDerWaalsContact C-CG2 3.49Å; Y96-V119 HydrophobicContact CD1-CG2 4.14Å; Y96-V119 HydrophobicContact CD2-CG2 3.75Å; Y96-V119 HydrophobicContact CE1-CG1 4.43Å; Y96-V119 HydrophobicContact CE1-CG2 4.29Å; Y96-V119 HydrophobicContact CE2-CB 4.22Å; Y96-V119 HydrophobicContact CE2-CG1 4.31Å; Y96-V119 HydrophobicContact CE2-CG2 3.9Å; Y96-V119 HydrophobicContact CG-CG2 3.88Å; V100-V119 HydrophobicContact CB-CG2 4.03Å; V100-V119 HydrophobicContact CG2-CB 4.4Å; V100-V119 HydrophobicContact CG2-CG1 4.26Å; V100-V119 HydrophobicContact CG2-CG2 3.79Å; V119-L124 HydrophobicContact CG1-CD1 3.51Å; V119-L124 HydrophobicContact CG1-CD2 3.72Å; V119-L124 HydrophobicContact CG1-CG 3.5Å
120	Q	96.3	Very high	96.1	Very high	126 Å²	126	71.4 Å²	71.4	59%	0.589	36%	0.36	S	S	*	.			trans	-111.7	129.9	174.2	-65.2	-66.8	-22.8	0	0	109.2	L122 Q123 L124	Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.09Å; Q120-Q123 HydrophobicContact CB-CB 4.26Å; Q120-Q123 WeakPolarHBondContact O-CB 3.43Å; Q120-Q123 PolarHBondContact O-N 2.92Å; Q120-L124 PolarHBondContact O-N 2.99Å; Q120-L124 VanDerWaalsContact O-N 3.1Å
121	F	95.9	Very high	96.2	Very high	36 Å²	36	71.3 Å²	71.3	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-58.4	-40.8	-176.3	175.9	-113.5	0	0	0	112.9	M86 N87 C90 Q123 L124 R125	M86-F121 HydrophobicContact CB-CD2 3.85Å; M86-F121 HydrophobicContact CB-CE2 3.84Å; N87-F121 HydrophobicContact CB-CD1 3.83Å; N87-F121 HydrophobicContact CB-CD2 4.2Å; N87-F121 HydrophobicContact CB-CE1 3.76Å; N87-F121 HydrophobicContact CB-CE2 4.14Å; N87-F121 HydrophobicContact CB-CG 4.04Å; N87-F121 HydrophobicContact CB-CZ 3.9Å; N87-F121 VanDerWaalsContact OD1-CD1 3.27Å; N87-F121 WeakPolarHBondContact OD1-CD1 3.34Å; C90-F121 HydrophobicContact CB-CB 4.17Å; F121-Q123 VanDerWaalsContact C-N 3.26Å; F121-Q123 PolarHBondContact O-N 3.04Å; F121-L124 WeakPolarHBondContact O-CB 3.2Å; F121-L124 PolarHBondContact O-N 3.2Å; F121-R125 HydrophobicContact CD1-CG 4.43Å; F121-R125 HydrophobicContact CD2-CG 4.36Å; F121-R125 HydrophobicContact CE1-CG 3.91Å; F121-R125 HydrophobicContact CE2-CG 3.83Å; F121-R125 HydrophobicContact CZ-CG 3.6Å; F121-R125 PolarHBondContact O-N 3.44Å
122	L	95.6	Very high	96.2	Very high	147 Å²	147	71.4 Å²	71.4	77%	0.77	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-36.4	176.3	-73.2	166	0	0	0	112.4	Q120 K126	Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.09Å; L122-K126 WeakPolarHBondContact O-CB 3.29Å; L122-K126 PolarHBondContact O-N 3.38Å
123	Q	96.3	Very high	96.3	Very high	55 Å²	55	67.2 Å²	67.2	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-72.2	-41.2	177.8	-176	54.4	51.4	0	0	111.4	K115 Q120 F121 K126 D127	K115-Q123 HydrophobicContact CG-CG 4.31Å; Q120-Q123 HydrophobicContact CB-CB 4.26Å; Q120-Q123 WeakPolarHBondContact O-CB 3.43Å; Q120-Q123 PolarHBondContact O-N 2.92Å; F121-Q123 VanDerWaalsContact C-N 3.26Å; F121-Q123 PolarHBondContact O-N 3.04Å; Q123-K126 PolarHBondContact O-N 3.12Å; Q123-D127 PolarHBondContact NE2-OD1 3.18Å; Q123-D127 VanDerWaalsContact NE2-OD1 3.11Å; Q123-D127 PolarHBondContact NE2-OD2 2.79Å; Q123-D127 PolarHBondContact O-N 2.9Å
124	L	96.5	Very high	96.4	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-48.1	172.5	-69.2	-176.3	0	0	0	111.4	M86 Y96 V100 V102 V119 Q120 F121 K126 D127 F128 I135	M86-L124 HydrophobicContact CE-CD1 3.53Å; Y96-L124 HydrophobicContact CE1-CD2 4Å; V100-L124 HydrophobicContact CG1-CD1 4.47Å; V100-L124 HydrophobicContact CG1-CD2 4.1Å; V102-L124 HydrophobicContact CG2-CD2 3.55Å; V119-L124 HydrophobicContact CG1-CD1 3.51Å; V119-L124 HydrophobicContact CG1-CD2 3.72Å; V119-L124 HydrophobicContact CG1-CG 3.5Å; Q120-L124 PolarHBondContact O-N 2.99Å; Q120-L124 VanDerWaalsContact O-N 3.1Å; F121-L124 WeakPolarHBondContact O-CB 3.2Å; F121-L124 PolarHBondContact O-N 3.2Å; L124-K126 PolarHBondContact O-N 3.04Å; L124-D127 PolarHBondContact O-N 3.48Å; L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.43Å; L124-F128 PolarHBondContact O-N 3.29Å; L124-I135 HydrophobicContact CB-CD1 4.01Å
125	R	96.6	Very high	96.5	Very high	75 Å²	75	63.8 Å²	63.8	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-45.9	176.6	-81.8	-65.5	-168.6	173.1	0.3	112	F121 D127 F128 D129	F121-R125 HydrophobicContact CD1-CG 4.43Å; F121-R125 HydrophobicContact CD2-CG 4.36Å; F121-R125 HydrophobicContact CE1-CG 3.91Å; F121-R125 HydrophobicContact CE2-CG 3.83Å; F121-R125 HydrophobicContact CZ-CG 3.6Å; F121-R125 PolarHBondContact O-N 3.44Å; R125-D127 PolarHBondContact O-N 3.17Å; R125-F128 PolarHBondContact O-N 2.89Å; R125-D129 WeakPolarHBondContact O-CB 3.41Å; R125-D129 VanDerWaalsContact O-CG 3.3Å; R125-D129 PolarHBondContact O-N 3.32Å
126	K	97.1	Very high	96.7	Very high	101 Å²	101	59.9 Å²	59.9	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-57	-47.3	176.2	-172.3	178.3	-178.8	174.7	0	112.2	L122 Q123 L124 Q130	L122-K126 WeakPolarHBondContact O-CB 3.29Å; L122-K126 PolarHBondContact O-N 3.38Å; Q123-K126 PolarHBondContact O-N 3.12Å; L124-K126 PolarHBondContact O-N 3.04Å; K126-Q130 VanDerWaalsContact CE-OE1 3.23Å; K126-Q130 HydrophobicContact CG-CG 4.36Å; K126-Q130 WeakPolarHBondContact O-CB 3.28Å; K126-Q130 WeakPolarHBondContact O-CG 3.46Å; K126-Q130 PolarHBondContact O-N 3.4Å
127	D	97.4	Very high	96.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-37.3	179.6	-69.2	-31.6	0	0	0	112	V102 Q123 L124 R125 K131 R132 A133	V102-D127 HydrophobicContact CG1-CB 4.05Å; Q123-D127 PolarHBondContact NE2-OD1 3.18Å; Q123-D127 VanDerWaalsContact NE2-OD1 3.11Å; Q123-D127 PolarHBondContact NE2-OD2 2.79Å; Q123-D127 PolarHBondContact O-N 2.9Å; L124-D127 PolarHBondContact O-N 3.48Å; R125-D127 PolarHBondContact O-N 3.17Å; D127-K131 HydrophobicContact CB-CD 4.43Å; D127-K131 CarbonylContact O-C 3.51Å; D127-K131 WeakPolarHBondContact O-CA 3.31Å; D127-K131 VanDerWaalsContact O-CB 3.24Å; D127-K131 WeakPolarHBondContact O-CB 3.2Å; D127-K131 PolarHBondContact O-N 3.04Å; D127-K131 VanDerWaalsContact O-N 3.1Å; D127-K131 VanDerWaalsContact OD1-CD 3.26Å; D127-K131 WeakPolarHBondContact OD1-CD 3.27Å; D127-K131 WeakPolarHBondContact OD1-CE 3.08Å; D127-K131 IonicContact OD1-NZ 3.13Å; D127-K131 PolarHBondContact OD1-NZ 3.5Å; D127-R132 PolarHBondContact O-N 3.23Å; D127-A133 HydrophobicContact CB-CB 4.38Å; D127-A133 WeakPolarHBondContact O-CB 3.27Å; D127-A133 PolarHBondContact O-N 3.05Å
128	F	97.5	Very high	97.1	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-53.5	175.3	-172.6	-90.8	0	0	0	111.9	L83 L124 R125 R132 A133 I135 M168 P170 H250	L83-F128 HydrophobicContact CD2-CE1 3.96Å; L83-F128 HydrophobicContact CD2-CE2 4.45Å; L83-F128 HydrophobicContact CD2-CZ 3.87Å; L124-F128 VanDerWaalsContact O-CB 3.25Å; L124-F128 WeakPolarHBondContact O-CB 3.43Å; L124-F128 PolarHBondContact O-N 3.29Å; R125-F128 PolarHBondContact O-N 2.89Å; F128-R132 VanDerWaalsContact O-CA 3.27Å; F128-R132 WeakPolarHBondContact O-CA 3.48Å; F128-R132 PolarHBondContact O-N 3.25Å; F128-A133 WeakPolarHBondContact CD2-O 3.45Å; F128-I135 HydrophobicContact CB-CD1 4.12Å; F128-I135 HydrophobicContact CD2-CD1 3.8Å; F128-I135 HydrophobicContact CD2-CG1 4.09Å; F128-I135 HydrophobicContact CG-CD1 4.29Å; F128-M168 HydrophobicContact CE2-CB 4.07Å; F128-M168 WeakPolarHBondContact CE2-O 3.14Å; F128-P170 HydrophobicContact CD1-CB 4.08Å; F128-P170 HydrophobicContact CD2-CB 4.47Å; F128-P170 HydrophobicContact CD2-CG 4.25Å; F128-P170 HydrophobicContact CE1-CB 3.72Å; F128-P170 HydrophobicContact CE1-CG 4.49Å; F128-P170 HydrophobicContact CE2-CB 4.14Å; F128-P170 HydrophobicContact CE2-CG 4.19Å; F128-P170 HydrophobicContact CG-CB 4.45Å; F128-P170 HydrophobicContact CG-CG 4.44Å; F128-P170 HydrophobicContact CZ-CB 3.76Å; F128-P170 HydrophobicContact CZ-CG 4.32Å; F128-H250 HydrophobicContact CE1-CB 4.24Å; F128-H250 HydrophobicContact CZ-CB 3.66Å
129	D	95.8	Very high	97.2	Very high	79 Å²	79	49 Å²	49	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-75.1	-46.8	-173.5	-63.3	-35.6	0	0	0	112	R125 R132	R125-D129 WeakPolarHBondContact O-CB 3.41Å; R125-D129 VanDerWaalsContact O-CG 3.3Å; R125-D129 PolarHBondContact O-N 3.32Å; D129-R132 PolarHBondContact O-NE 3.23Å
130	Q	96.6	Very high	97.3	Very high	139 Å²	139	48.9 Å²	48.9	65%	0.65	22%	0.223	S	C	*	.	H	α-helix	trans	-89	-38.6	-171.5	-56.7	-179.6	-5.8	0	0	112.5	K126	K126-Q130 VanDerWaalsContact CE-OE1 3.23Å; K126-Q130 HydrophobicContact CG-CG 4.36Å; K126-Q130 WeakPolarHBondContact O-CB 3.28Å; K126-Q130 WeakPolarHBondContact O-CG 3.46Å; K126-Q130 PolarHBondContact O-N 3.4Å
131	K	96.8	Very high	97.4	Very high	73 Å²	73	42.9 Å²	42.9	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-96	-3.1	-178	-55.3	-178.8	-176.8	159	0	113.2	R104 L113 D127 A133	R104-K131 WeakPolarHBondContact CD-O 3.34Å; R104-K131 PolarHBondContact NH1-O 3.4Å; L113-K131 HydrophobicContact CD1-CD 4.45Å; D127-K131 HydrophobicContact CB-CD 4.43Å; D127-K131 CarbonylContact O-C 3.51Å; D127-K131 WeakPolarHBondContact O-CA 3.31Å; D127-K131 VanDerWaalsContact O-CB 3.24Å; D127-K131 WeakPolarHBondContact O-CB 3.2Å; D127-K131 PolarHBondContact O-N 3.04Å; D127-K131 VanDerWaalsContact O-N 3.1Å; D127-K131 VanDerWaalsContact OD1-CD 3.26Å; D127-K131 WeakPolarHBondContact OD1-CD 3.27Å; D127-K131 WeakPolarHBondContact OD1-CE 3.08Å; D127-K131 IonicContact OD1-NZ 3.13Å; D127-K131 PolarHBondContact OD1-NZ 3.5Å; K131-A133 PolarHBondContact O-N 3.29Å
132	R	96.8	Very high	97.5	Very high	117 Å²	117	42.3 Å²	42.3	44%	0.442	19%	0.192	S	C	.	.			trans	53.5	41.4	-175	-52.9	-61.5	-179.9	171.2	-2.3	111.1	D127 F128 D129 P170	D127-R132 PolarHBondContact O-N 3.23Å; F128-R132 VanDerWaalsContact O-CA 3.27Å; F128-R132 WeakPolarHBondContact O-CA 3.48Å; F128-R132 PolarHBondContact O-N 3.25Å; D129-R132 PolarHBondContact O-NE 3.23Å; R132-P170 HydrophobicContact CB-CG 4.21Å
133	A	98	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-87.7	142	-178.3	0	0	0	0	0	111	V102 C103 L113 D127 F128 K131 P170	V102-A133 HydrophobicContact CG1-CB 3.49Å; V102-A133 VanDerWaalsContact CG1-CB 3.49Å; C103-A133 CarbonylContact O-C 3.38Å; L113-A133 HydrophobicContact CD1-CB 3.72Å; D127-A133 HydrophobicContact CB-CB 4.38Å; D127-A133 WeakPolarHBondContact O-CB 3.27Å; D127-A133 PolarHBondContact O-N 3.05Å; F128-A133 WeakPolarHBondContact CD2-O 3.45Å; K131-A133 PolarHBondContact O-N 3.29Å; A133-P170 VanDerWaalsContact O-CD 3.28Å; A133-P170 WeakPolarHBondContact O-CD 3.04Å
134	T	98.6	Very high	97.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.6	168.3	-70.1	0	0	0	0	110	V102 C103 Y167 M168 T169 G175	V102-T134 CarbonylContact C-O 3.56Å; V102-T134 WeakPolarHBondContact CA-O 3.4Å; C103-T134 PolarHBondContact N-O 2.84Å; C103-T134 PolarHBondContact O-N 3.46Å; T134-Y167 HydrophobicContact CG2-CD1 4.44Å; T134-M168 CarbonylContact C-O 3.56Å; T134-M168 VanDerWaalsContact CA-O 3.27Å; T134-M168 WeakPolarHBondContact CA-O 3.33Å; T134-T169 WeakPolarHBondContact CG2-OG1 3.22Å; T134-T169 WeakPolarHBondContact OG1-CB 3.25Å; T134-T169 VanDerWaalsContact OG1-CG2 3.31Å; T134-T169 WeakPolarHBondContact OG1-CG2 3.25Å; T134-T169 PolarHBondContact OG1-OG1 3.3Å; T134-G175 WeakPolarHBondContact OG1-CA 3.2Å
135	I	98.8	Very high	97.6	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.8	169	-58	164.5	0	0	0	107.3	L83 V100 L124 F128 Y167 M168	L83-I135 HydrophobicContact CD1-CD1 4.28Å; V100-I135 HydrophobicContact CG1-CG2 3.68Å; L124-I135 HydrophobicContact CB-CD1 4.01Å; F128-I135 HydrophobicContact CB-CD1 4.12Å; F128-I135 HydrophobicContact CD2-CD1 3.8Å; F128-I135 HydrophobicContact CD2-CG1 4.09Å; F128-I135 HydrophobicContact CG-CD1 4.29Å; I135-Y167 WeakPolarHBondContact O-CA 3.17Å; I135-M168 HydrophobicContact CB-CB 4.36Å; I135-M168 HydrophobicContact CB-CE 3.92Å; I135-M168 HydrophobicContact CG2-CE 3.57Å; I135-M168 PolarHBondContact N-O 3.22Å; I135-M168 PolarHBondContact O-N 3.26Å
136	Q	98.8	Very high	97.7	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120	171.4	174.2	-174.5	29.1	0	0	107.5	V100 N101 V166 Y167	V100-Q136 CarbonylContact C-O 3.58Å; V100-Q136 WeakPolarHBondContact CA-O 3.48Å; N101-Q136 HydrophobicContact CB-CB 4.07Å; N101-Q136 PolarHBondContact N-O 3.46Å; N101-Q136 PolarHBondContact ND2-OE1 2.92Å; N101-Q136 PolarHBondContact O-N 2.93Å; Q136-V166 CarbonylContact C-O 3.56Å; Q136-V166 VanDerWaalsContact CA-O 3.32Å; Q136-V166 WeakPolarHBondContact CA-O 3.15Å; Q136-Y167 HydrophobicContact CB-CD1 4.03Å; Q136-Y167 HydrophobicContact CB-CE1 3.99Å; Q136-Y167 HydrophobicContact CG-CD1 4.04Å; Q136-Y167 HydrophobicContact CG-CE1 3.56Å; Q136-Y167 PolarHBondContact NE2-OH 3.42Å
137	F	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.9	-179.2	-176.6	-114.4	0	0	0	110.2	F81 M86 I89 L94 D99 V100 P140 F143 N165 V166 M168	F81-F137 AromaticContact CE2-CD1 3.6Å; F81-F137 HydrophobicContact CE2-CD1 3.6Å; F81-F137 AromaticContact CE2-CE1 3.7Å; F81-F137 HydrophobicContact CE2-CE1 3.7Å; F81-F137 AromaticContact CZ-CD1 3.57Å; F81-F137 HydrophobicContact CZ-CD1 3.57Å; F81-F137 AromaticContact CZ-CE1 3.9Å; F81-F137 HydrophobicContact CZ-CE1 3.9Å; F81-F137 HydrophobicContact CZ-CG 4.27Å; M86-F137 HydrophobicContact CE-CD2 4.05Å; M86-F137 HydrophobicContact CE-CE2 4.48Å; M86-F137 HydrophobicContact SD-CD2 4.19Å; M86-F137 HydrophobicContact SD-CG 4.21Å; I89-F137 HydrophobicContact CG2-CE2 4.3Å; I89-F137 HydrophobicContact CG2-CZ 3.75Å; L94-F137 HydrophobicContact CD1-CD2 4.4Å; L94-F137 HydrophobicContact CD1-CE2 3.59Å; L94-F137 HydrophobicContact CD1-CZ 4.36Å; L94-F137 HydrophobicContact CD2-CE2 4.04Å; L94-F137 HydrophobicContact CD2-CZ 4.36Å; L94-F137 HydrophobicContact CG-CE2 4.44Å; D99-F137 HydrophobicContact CB-CE2 4.5Å; D99-F137 WeakPolarHBondContact O-CD2 3.44Å; V100-F137 HydrophobicContact CG2-CD2 3.82Å; V100-F137 HydrophobicContact CG2-CE2 4.14Å; F137-P140 HydrophobicContact CD1-CB 3.88Å; F137-P140 HydrophobicContact CE1-CB 3.88Å; F137-F143 AromaticContact CE1-CD2 3.93Å; F137-F143 HydrophobicContact CE1-CD2 3.93Å; F137-F143 HydrophobicContact CE1-CE2 4.35Å; F137-F143 AromaticContact CZ-CD2 3.57Å; F137-F143 HydrophobicContact CZ-CD2 3.57Å; F137-F143 AromaticContact CZ-CE2 3.62Å; F137-F143 HydrophobicContact CZ-CE2 3.62Å; F137-N165 WeakPolarHBondContact O-CA 3.43Å; F137-V166 HydrophobicContact CB-CB 4.27Å; F137-V166 PolarHBondContact N-O 3.27Å; F137-V166 PolarHBondContact O-N 2.78Å; F137-M168 HydrophobicContact CB-CE 4.21Å
138	H	98.6	Very high	97.8	Very high	27 Å²	27	35.7 Å²	35.7	13%	0.125	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.8	-173.4	-53.1	155.4	0	0	0	112.2	G97 K98 D99 N101 R142 N165	G97-H138 PolarHBondContact O-CE1 3.33Å; K98-H138 PolarHBondContact O-ND1 2.93Å; D99-H138 PolarHBondContact O-N 3.04Å; N101-H138 PolarHBondContact ND2-CE1 2.97Å; N101-H138 PolarHBondContact ND2-NE2 2.98Å; N101-H138 VanDerWaalsContact ND2-NE2 3.15Å; H138-R142 PolarHBondContact O-NH2 3.25Å; H138-N165 WeakPolarHBondContact CA-OD1 3.49Å; H138-N165 PolarHBondContact CD2-OD1 2.66Å
139	Q	98.6	Very high	97.8	Very high	22 Å²	22	37.1 Å²	37.1	10%	0.103	17%	0.169	C	C	.	.			trans	55.9	57.8	171.3	-46	-47.6	-23.3	0	0	112.9	Q141 R142 S164 M405 M406	Q139-Q141 PolarHBondContact O-N 3.41Å; Q139-R142 HydrophobicContact CB-CG 4.16Å; Q139-R142 WeakPolarHBondContact O-CB 3.47Å; Q139-R142 VanDerWaalsContact O-CG 3.26Å; Q139-R142 WeakPolarHBondContact O-CG 3.45Å; Q139-R142 PolarHBondContact O-N 3.37Å; Q139-R142 PolarHBondContact O-NE 2.83Å; Q139-S164 WeakPolarHBondContact CA-O 3.47Å; Q139-S164 PolarHBondContact N-O 2.9Å; Q139-S164 VanDerWaalsContact OE1-N 3.07Å; Q139-S164 PolarHBondContact OE1-O 2.97Å; Q139-M405 VanDerWaalsContact CD-CB 3.43Å; Q139-M405 HydrophobicContact CG-CB 3.86Å; Q139-M406 HydrophobicContact CB-SD 3.81Å; Q139-M406 HydrophobicContact CG-SD 3.48Å; Q139-M406 WeakPolarHBondContact CG-SD 3.32Å
140	P	98.5	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.2	179.8	31.4	-41	0	0	0	114.3	F81 F137 R142 F143 K144 L147 S164 V166	F81-P140 HydrophobicContact CD2-CB 3.77Å; F81-P140 HydrophobicContact CE2-CB 3.77Å; F137-P140 HydrophobicContact CD1-CB 3.88Å; F137-P140 HydrophobicContact CE1-CB 3.88Å; P140-R142 PolarHBondContact O-N 2.65Å; P140-R142 VanDerWaalsContact O-N 3.07Å; P140-F143 PolarHBondContact O-N 3.23Å; P140-K144 PolarHBondContact O-N 3.44Å; P140-L147 HydrophobicContact CB-CD1 3.73Å; P140-L147 HydrophobicContact CG-CD1 3.67Å; P140-S164 VanDerWaalsContact CD-O 3.26Å; P140-S164 WeakPolarHBondContact CD-O 3.44Å; P140-S164 VanDerWaalsContact CD-OG 3.25Å; P140-S164 WeakPolarHBondContact CD-OG 3.3Å; P140-S164 WeakPolarHBondContact CG-OG 3.48Å; P140-V166 HydrophobicContact CB-CG2 4.14Å; P140-V166 HydrophobicContact CG-CG2 3.89Å
141	Q	98.6	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-55.1	-25.6	174.7	65.2	-76	7.2	0	0	112.6	Q139 F143 L147 W148 S164 L339 R401 H404	Q139-Q141 PolarHBondContact O-N 3.41Å; Q141-F143 PolarHBondContact O-N 2.9Å; Q141-L147 HydrophobicContact CB-CB 4.29Å; Q141-W148 HydrophobicContact CB-CB 4.41Å; Q141-S164 PolarHBondContact OE1-OG 3.2Å; Q141-L339 HydrophobicContact CB-CD1 4.48Å; Q141-L339 HydrophobicContact CG-CD1 4.08Å; Q141-L339 HydrophobicContact CG-CD2 4.13Å; Q141-R401 PolarHBondContact O-NE 3.32Å; Q141-R401 PolarHBondContact O-NH2 2.73Å; Q141-H404 PolarHBondContact NE2-ND1 3.47Å
142	R	97.6	Very high	98.1	Very high	24 Å²	24	23.4 Å²	23.4	9%	0.091	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.3	175	-57.2	-176.4	-69.3	154.5	-8.3	113.3	D99 H138 Q139 P140 R401 Q402	D99-R142 IonicContact OD1-CZ 3.68Å; D99-R142 IonicContact OD1-NH1 2.67Å; D99-R142 PolarHBondContact OD1-NH1 2.98Å; D99-R142 IonicContact OD1-NH2 3.21Å; D99-R142 PolarHBondContact OD1-NH2 2.76Å; H138-R142 PolarHBondContact O-NH2 3.25Å; Q139-R142 HydrophobicContact CB-CG 4.16Å; Q139-R142 WeakPolarHBondContact O-CB 3.47Å; Q139-R142 VanDerWaalsContact O-CG 3.26Å; Q139-R142 WeakPolarHBondContact O-CG 3.45Å; Q139-R142 PolarHBondContact O-N 3.37Å; Q139-R142 PolarHBondContact O-NE 2.83Å; P140-R142 PolarHBondContact O-N 2.65Å; P140-R142 VanDerWaalsContact O-N 3.07Å; R142-R401 WeakPolarHBondContact CG-O 3.3Å; R142-Q402 WeakPolarHBondContact CD-O 3.46Å
143	F	96.9	Very high	98.2	Very high	46 Å²	46	19.7 Å²	19.7	20%	0.202	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-14.8	-172.3	-53.9	-78.5	0	0	0	113.9	I89 Q92 L94 F137 P140 Q141	I89-F143 HydrophobicContact CD1-CB 4.34Å; I89-F143 HydrophobicContact CG1-CB 4.44Å; I89-F143 HydrophobicContact CG2-CB 4.38Å; I89-F143 HydrophobicContact CG2-CD1 4.05Å; I89-F143 HydrophobicContact CG2-CD2 4.2Å; I89-F143 HydrophobicContact CG2-CE1 4.36Å; I89-F143 HydrophobicContact CG2-CG 3.95Å; Q92-F143 VanDerWaalsContact OE1-CD1 3.28Å; L94-F143 HydrophobicContact CD2-CE1 4.31Å; L94-F143 HydrophobicContact CD2-CE2 4.13Å; L94-F143 HydrophobicContact CD2-CZ 3.67Å; F137-F143 AromaticContact CE1-CD2 3.93Å; F137-F143 HydrophobicContact CE1-CD2 3.93Å; F137-F143 HydrophobicContact CE1-CE2 4.35Å; F137-F143 AromaticContact CZ-CD2 3.57Å; F137-F143 HydrophobicContact CZ-CD2 3.57Å; F137-F143 AromaticContact CZ-CE2 3.62Å; F137-F143 HydrophobicContact CZ-CE2 3.62Å; P140-F143 PolarHBondContact O-N 3.23Å; Q141-F143 PolarHBondContact O-N 2.9Å
144	K	97.6	Very high	98.2	Very high	31 Å²	31	19.8 Å²	19.8	14%	0.135	9%	0.091	C	C	.	.			trans	-123.7	115	-174.4	-63.7	-67.8	-62.4	-165.1	0	110.1	L80 F81 D85 P140 L147 W148 R401	L80-K144 WeakPolarHBondContact O-CE 3.37Å; F81-K144 HydrophobicContact CD2-CD 4.35Å; F81-K144 HydrophobicContact CD2-CG 3.79Å; F81-K144 HydrophobicContact CE2-CG 4.08Å; D85-K144 IonicContact OD1-NZ 3.22Å; D85-K144 IonicContact OD2-NZ 3.78Å; D85-K144 PolarHBondContact OD2-NZ 3.2Å; P140-K144 PolarHBondContact O-N 3.44Å; K144-L147 HydrophobicContact CB-CB 4.16Å; K144-L147 HydrophobicContact CB-CD1 4.02Å; K144-L147 HydrophobicContact CB-CG 4.31Å; K144-L147 HydrophobicContact CG-CD1 4.43Å; K144-L147 PolarHBondContact O-N 2.85Å; K144-W148 PolarHBondContact O-N 3.31Å; K144-R401 PolarHBondContact O-NH2 3.12Å; K144-R401 VanDerWaalsContact O-NH2 3.1Å
145	D	96.6	Very high	98.2	Very high	86 Å²	86	19.7 Å²	19.7	46%	0.46	9%	0.09	S	C	.	.	H	α-helix	trans	-66.4	-41.2	-170.4	-65.7	-9	0	0	0	112.9	L147 W148 K149 Y342 R401	D145-L147 VanDerWaalsContact C-N 3.31Å; D145-L147 PolarHBondContact O-N 3.35Å; D145-W148 WeakPolarHBondContact O-CB 3.36Å; D145-W148 PolarHBondContact O-N 2.89Å; D145-W148 VanDerWaalsContact O-N 3.17Å; D145-K149 WeakPolarHBondContact O-CB 3.43Å; D145-K149 PolarHBondContact O-N 3.46Å; D145-Y342 HydrophobicContact CB-CE2 4.19Å; D145-R401 IonicContact OD1-CZ 3.23Å; D145-R401 IonicContact OD1-NH1 2.89Å; D145-R401 PolarHBondContact OD1-NH1 2.94Å; D145-R401 IonicContact OD1-NH2 3.41Å; D145-R401 PolarHBondContact OD1-NH2 3.26Å
146	E	97.3	Very high	98.2	Very high	51 Å²	51	20.5 Å²	20.5	24%	0.238	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-37.8	175.3	-75.5	-63.5	126.7	0	0	112.2	Y76 L80 K149 I150	Y76-E146 PolarHBondContact OH-OE2 3.44Å; L80-E146 HydrophobicContact CD2-CB 3.77Å; E146-K149 PolarHBondContact O-N 3.41Å; E146-I150 WeakPolarHBondContact O-CB 3.49Å; E146-I150 VanDerWaalsContact O-CG1 3.26Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.94Å
147	L	98.6	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.3	-34.7	175.2	-73.2	173.5	0	0	0	112.1	L80 F81 P140 Q141 K144 D145 Q151 V254	L80-L147 HydrophobicContact CB-CD2 4.15Å; L80-L147 HydrophobicContact CB-CG 4.32Å; L80-L147 HydrophobicContact CD1-CD2 4.39Å; F81-L147 HydrophobicContact CB-CD1 4.49Å; F81-L147 HydrophobicContact CD2-CD1 4.36Å; P140-L147 HydrophobicContact CB-CD1 3.73Å; P140-L147 HydrophobicContact CG-CD1 3.67Å; Q141-L147 HydrophobicContact CB-CB 4.29Å; K144-L147 HydrophobicContact CB-CB 4.16Å; K144-L147 HydrophobicContact CB-CD1 4.02Å; K144-L147 HydrophobicContact CB-CG 4.31Å; K144-L147 HydrophobicContact CG-CD1 4.43Å; K144-L147 PolarHBondContact O-N 2.85Å; D145-L147 VanDerWaalsContact C-N 3.31Å; D145-L147 PolarHBondContact O-N 3.35Å; L147-Q151 VanDerWaalsContact O-CB 3.27Å; L147-Q151 WeakPolarHBondContact O-CB 2.97Å; L147-Q151 VanDerWaalsContact O-CG 3.25Å; L147-Q151 WeakPolarHBondContact O-CG 3.48Å; L147-Q151 PolarHBondContact O-N 3.37Å; L147-V254 HydrophobicContact CD2-CG1 4.49Å; L147-V254 HydrophobicContact CD2-CG2 4.45Å
148	W	98.3	Very high	98.2	Very high	27 Å²	27	23 Å²	23	10%	0.102	11%	0.105	C	C	.	.	H	α-helix	trans	-61.3	-49.8	169.8	170.7	25.7	0	0	0	111.3	Q141 K144 D145 I150 Q151 E152 P340 P341 Y342 R401	Q141-W148 HydrophobicContact CB-CB 4.41Å; K144-W148 PolarHBondContact O-N 3.31Å; D145-W148 WeakPolarHBondContact O-CB 3.36Å; D145-W148 PolarHBondContact O-N 2.89Å; D145-W148 VanDerWaalsContact O-N 3.17Å; W148-I150 VanDerWaalsContact C-N 3.34Å; W148-I150 PolarHBondContact O-N 2.97Å; W148-Q151 PolarHBondContact O-N 3.48Å; W148-E152 VanDerWaalsContact O-CB 3.24Å; W148-E152 WeakPolarHBondContact O-CB 3.36Å; W148-E152 PolarHBondContact O-N 3.04Å; W148-P340 HydrophobicContact CZ2-CG 3.9Å; W148-P340 PolarHBondContact NE1-O 2.7Å; W148-P341 WeakPolarHBondContact CZ2-O 3.49Å; W148-Y342 AromaticContact CD2-CD2 3.72Å; W148-Y342 HydrophobicContact CD2-CD2 3.72Å; W148-Y342 HydrophobicContact CD2-CE2 4.48Å; W148-Y342 AromaticContact CE3-CD2 3.5Å; W148-Y342 HydrophobicContact CE3-CD2 3.5Å; W148-Y342 VanDerWaalsContact CE3-CD2 3.5Å; W148-Y342 AromaticContact CE3-CE2 3.87Å; W148-Y342 HydrophobicContact CE3-CE2 3.87Å; W148-Y342 HydrophobicContact CG-CD2 4.22Å; W148-Y342 AromaticContact CZ3-CD2 3.94Å; W148-Y342 HydrophobicContact CZ3-CD2 3.94Å; W148-Y342 HydrophobicContact CZ3-CE2 4.25Å; W148-R401 VanDerWaalsContact CD2-CD 3.49Å; W148-R401 HydrophobicContact CD2-CG 4.39Å; W148-R401 HydrophobicContact CG-CG 4.45Å
149	K	97.5	Very high	98.2	Very high	36 Å²	36	23.6 Å²	23.6	16%	0.157	12%	0.119	C	C	.	.	H	α-helix	trans	-57.5	-44.8	179	-167.2	-176.8	-174.5	-172.7	0	112.5	F35 D145 E146 K153 Y342	F35-K149 HydrophobicContact CD1-CD 3.76Å; F35-K149 HydrophobicContact CD1-CG 3.71Å; F35-K149 HydrophobicContact CD2-CD 4.37Å; F35-K149 HydrophobicContact CE1-CB 4.27Å; F35-K149 HydrophobicContact CE1-CD 3.72Å; F35-K149 HydrophobicContact CE1-CG 3.64Å; F35-K149 HydrophobicContact CE2-CD 4.33Å; F35-K149 HydrophobicContact CG-CD 4.09Å; F35-K149 VanDerWaalsContact CG-CE 3.43Å; F35-K149 HydrophobicContact CG-CG 4.48Å; F35-K149 HydrophobicContact CZ-CD 4.01Å; F35-K149 HydrophobicContact CZ-CG 4.36Å; D145-K149 WeakPolarHBondContact O-CB 3.43Å; D145-K149 PolarHBondContact O-N 3.46Å; E146-K149 PolarHBondContact O-N 3.41Å; K149-K153 WeakPolarHBondContact O-CG 3.36Å; K149-K153 PolarHBondContact O-N 2.64Å; K149-Y342 HydrophobicContact CB-CD1 4.19Å; K149-Y342 HydrophobicContact CB-CD2 3.62Å; K149-Y342 HydrophobicContact CB-CE1 4.41Å; K149-Y342 HydrophobicContact CB-CE2 3.89Å; K149-Y342 HydrophobicContact CB-CG 3.78Å; K149-Y342 HydrophobicContact CD-CD1 3.94Å; K149-Y342 HydrophobicContact CD-CE1 3.75Å; K149-Y342 HydrophobicContact CD-CG 4.39Å; K149-Y342 HydrophobicContact CG-CD1 3.68Å; K149-Y342 HydrophobicContact CG-CD2 4.07Å; K149-Y342 HydrophobicContact CG-CE1 4Å; K149-Y342 HydrophobicContact CG-CE2 4.37Å; K149-Y342 HydrophobicContact CG-CG 3.71Å
150	I	98.7	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-53.1	176.9	-68.7	165.6	0	0	0	110.3	L33 F35 L41 L80 E146 W148 E152 K153 L154 I256	L33-I150 HydrophobicContact CD1-CD1 4Å; L33-I150 HydrophobicContact CD1-CG1 4.18Å; F35-I150 HydrophobicContact CE1-CG1 3.86Å; F35-I150 HydrophobicContact CZ-CG1 3.83Å; L41-I150 HydrophobicContact CD2-CG2 4.39Å; L41-I150 WeakPolarHBondContact CD2-O 3.47Å; L80-I150 HydrophobicContact CD1-CD1 4.16Å; L80-I150 HydrophobicContact CD2-CD1 3.65Å; E146-I150 WeakPolarHBondContact O-CB 3.49Å; E146-I150 VanDerWaalsContact O-CG1 3.26Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.94Å; W148-I150 VanDerWaalsContact C-N 3.34Å; W148-I150 PolarHBondContact O-N 2.97Å; I150-E152 PolarHBondContact O-N 3.08Å; I150-K153 PolarHBondContact O-N 2.94Å; I150-L154 HydrophobicContact CG2-CD1 3.84Å; I150-L154 HydrophobicContact CG2-CG 4.38Å; I150-L154 VanDerWaalsContact O-CG 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.06Å; I150-I256 HydrophobicContact CG2-CD1 4.01Å
151	Q	98.9	Very high	98.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-38.8	-173.5	-70.3	178.2	-120.1	0	0	112.1	L147 W148 K153 L154 E155 V162 G163 S164 I256 L339	L147-Q151 VanDerWaalsContact O-CB 3.27Å; L147-Q151 WeakPolarHBondContact O-CB 2.97Å; L147-Q151 VanDerWaalsContact O-CG 3.25Å; L147-Q151 WeakPolarHBondContact O-CG 3.48Å; L147-Q151 PolarHBondContact O-N 3.37Å; W148-Q151 PolarHBondContact O-N 3.48Å; Q151-K153 PolarHBondContact O-N 3.19Å; Q151-L154 CarbonylContact O-C 3.54Å; Q151-L154 PolarHBondContact O-N 2.85Å; Q151-L154 VanDerWaalsContact O-N 3.17Å; Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 2.82Å; Q151-V162 HydrophobicContact CB-CB 4.46Å; Q151-V162 HydrophobicContact CB-CG1 4.1Å; Q151-V162 HydrophobicContact CG-CG1 3.94Å; Q151-V162 PolarHBondContact NE2-O 2.82Å; Q151-G163 PolarHBondContact NE2-O 2.93Å; Q151-S164 PolarHBondContact OE1-OG 3.45Å; Q151-I256 HydrophobicContact CG-CG2 4.48Å; Q151-L339 HydrophobicContact CB-CD1 3.69Å
152	E	98.5	Very high	98.2	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-49.9	175.8	175	-82.2	113.9	0	0	111.8	W148 I150 L154 E155 C156 L339 H371	W148-E152 VanDerWaalsContact O-CB 3.24Å; W148-E152 WeakPolarHBondContact O-CB 3.36Å; W148-E152 PolarHBondContact O-N 3.04Å; I150-E152 PolarHBondContact O-N 3.08Å; E152-L154 VanDerWaalsContact C-N 3.29Å; E152-L154 PolarHBondContact O-N 3.14Å; E152-E155 WeakPolarHBondContact O-CB 3.43Å; E152-E155 PolarHBondContact O-N 3Å; E152-E155 VanDerWaalsContact O-N 3.15Å; E152-C156 PolarHBondContact O-N 2.62Å; E152-C156 PolarHBondContact OE1-SG 3.18Å; E152-L339 HydrophobicContact CB-CB 4.25Å; E152-L339 HydrophobicContact CB-CD1 4.42Å; E152-H371 IonicContact OE1-CE1 3.9Å; E152-H371 IonicContact OE1-NE2 3.35Å; E152-H371 PolarHBondContact OE1-NE2 3.03Å
153	K	98.5	Very high	98.3	Very high	39 Å²	39	23.4 Å²	23.4	17%	0.17	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-37.8	177.1	-74.8	-92.5	167.6	-68	0	111.8	F35 P38 L41 K149 I150 Q151 C156 Y157	F35-K153 HydrophobicContact CD1-CG 4.45Å; F35-K153 WeakPolarHBondContact O-CE 3.41Å; P38-K153 WeakPolarHBondContact CB-O 3.39Å; P38-K153 HydrophobicContact CG-CD 4.41Å; L41-K153 HydrophobicContact CB-CB 4.34Å; L41-K153 HydrophobicContact CD2-CB 3.18Å; L41-K153 HydrophobicContact CD2-CG 3.93Å; L41-K153 HydrophobicContact CG-CB 4.36Å; K149-K153 WeakPolarHBondContact O-CG 3.36Å; K149-K153 PolarHBondContact O-N 2.64Å; I150-K153 PolarHBondContact O-N 2.94Å; Q151-K153 PolarHBondContact O-N 3.19Å; K153-C156 WeakPolarHBondContact O-CB 3.45Å; K153-C156 PolarHBondContact O-N 2.86Å; K153-Y157 WeakPolarHBondContact O-CB 3.32Å; K153-Y157 PolarHBondContact O-N 3.02Å
154	L	98.9	Very high	98.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-68.6	-34.8	175.4	-67.8	178.1	0	0	0	111.9	L41 F42 L45 I150 Q151 E152 C156 Y157 F158 V162 I256	L41-L154 HydrophobicContact CD2-CD2 4.38Å; L41-L154 HydrophobicContact CD2-CG 4.26Å; F42-L154 HydrophobicContact CB-CD2 4.43Å; F42-L154 HydrophobicContact CD2-CD2 3.88Å; L45-L154 HydrophobicContact CD2-CD1 4.21Å; L45-L154 HydrophobicContact CD2-CD2 4.25Å; I150-L154 HydrophobicContact CG2-CD1 3.84Å; I150-L154 HydrophobicContact CG2-CG 4.38Å; I150-L154 VanDerWaalsContact O-CG 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.06Å; Q151-L154 CarbonylContact O-C 3.54Å; Q151-L154 PolarHBondContact O-N 2.85Å; Q151-L154 VanDerWaalsContact O-N 3.17Å; E152-L154 VanDerWaalsContact C-N 3.29Å; E152-L154 PolarHBondContact O-N 3.14Å; L154-C156 VanDerWaalsContact C-N 3.34Å; L154-Y157 PolarHBondContact O-N 3.4Å; L154-F158 HydrophobicContact CB-CD2 4.21Å; L154-F158 HydrophobicContact CB-CE2 4.38Å; L154-F158 HydrophobicContact CD2-CE2 4.12Å; L154-F158 WeakPolarHBondContact O-CB 3.29Å; L154-F158 VanDerWaalsContact O-CD2 3.25Å; L154-F158 WeakPolarHBondContact O-CD2 3.35Å; L154-F158 PolarHBondContact O-N 2.64Å; L154-V162 HydrophobicContact CB-CG1 4.25Å; L154-V162 HydrophobicContact CB-CG2 3.95Å; L154-V162 HydrophobicContact CD1-CG1 4.49Å; L154-I256 HydrophobicContact CD1-CD1 4.39Å; L154-I256 HydrophobicContact CD1-CG2 3.99Å
155	E	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-41.5	172	-69.3	-175.1	134.6	0	0	111.4	Q151 E152 Y157 G159 L161 V162 F334 R338 L339 H404	Q151-E155 WeakPolarHBondContact O-CG 3.41Å; Q151-E155 PolarHBondContact O-N 2.82Å; E152-E155 WeakPolarHBondContact O-CB 3.43Å; E152-E155 PolarHBondContact O-N 3Å; E152-E155 VanDerWaalsContact O-N 3.15Å; E155-Y157 VanDerWaalsContact C-N 3.31Å; E155-Y157 PolarHBondContact O-N 3.11Å; E155-G159 WeakPolarHBondContact O-CA 3.45Å; E155-G159 PolarHBondContact O-N 3.13Å; E155-L161 WeakPolarHBondContact OE1-CA 3.31Å; E155-V162 HydrophobicContact CB-CG2 4.34Å; E155-V162 HydrophobicContact CG-CB 3.58Å; E155-V162 HydrophobicContact CG-CG2 3.55Å; E155-V162 PolarHBondContact OE1-N 3.05Å; E155-V162 VanDerWaalsContact OE1-N 3.08Å; E155-F334 HydrophobicContact CB-CE2 4.28Å; E155-F334 HydrophobicContact CB-CZ 4.43Å; E155-R338 WeakPolarHBondContact OE1-CA 3.33Å; E155-R338 WeakPolarHBondContact OE2-CB 3.34Å; E155-R338 IonicContact OE2-NE 3.76Å; E155-L339 WeakPolarHBondContact OE2-CB 3.23Å; E155-L339 PolarHBondContact OE2-N 2.91Å; E155-H404 IonicContact OE1-CE1 3.5Å; E155-H404 IonicContact OE1-NE2 3.9Å; E155-H404 PolarHBondContact OE1-NE2 2.87Å; E155-H404 VanDerWaalsContact OE1-NE2 3.16Å
156	C	98.4	Very high	98.5	Very high	20 Å²	20	17.1 Å²	17.1	14%	0.135	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-41.7	171.7	-72.2	0	0	0	0	111.8	P38 E152 K153 L154 R338 D370	P38-C156 HydrophobicContact CB-CB 3.94Å; P38-C156 HydrophobicContact CG-CB 3.52Å; E152-C156 PolarHBondContact O-N 2.62Å; E152-C156 PolarHBondContact OE1-SG 3.18Å; K153-C156 WeakPolarHBondContact O-CB 3.45Å; K153-C156 PolarHBondContact O-N 2.86Å; L154-C156 VanDerWaalsContact C-N 3.34Å; C156-R338 PolarHBondContact SG-NH2 2.83Å; C156-D370 HydrophobicContact CB-CB 3.79Å; C156-D370 VanDerWaalsContact SG-CB 3.55Å
157	Y	98.6	Very high	98.6	Very high	51 Å²	51	15.9 Å²	15.9	20%	0.2	9%	0.085	C	C	.	.	H	α-helix	trans	-69.8	-45.8	-178.1	-173.4	-104.7	0	0	0	113	P38 T39 F42 I51 F55 K153 L154 E155	P38-Y157 HydrophobicContact CB-CD2 4.34Å; T39-Y157 HydrophobicContact CG2-CE2 4.29Å; F42-Y157 HydrophobicContact CB-CD1 3.84Å; F42-Y157 HydrophobicContact CB-CD2 4.13Å; F42-Y157 HydrophobicContact CB-CE1 3.79Å; F42-Y157 HydrophobicContact CB-CE2 4.1Å; F42-Y157 HydrophobicContact CB-CG 4.01Å; F42-Y157 HydrophobicContact CD1-CD1 4.05Å; F42-Y157 AromaticContact CD1-CE1 3.21Å; F42-Y157 HydrophobicContact CD1-CE1 3.21Å; F42-Y157 HydrophobicContact CD1-CE2 4.32Å; F42-Y157 AromaticContact CD1-CZ 3.39Å; F42-Y157 WeakPolarHBondContact CD1-OH 3.39Å; F42-Y157 HydrophobicContact CD2-CD1 4.06Å; F42-Y157 AromaticContact CD2-CE1 3.98Å; F42-Y157 HydrophobicContact CD2-CE1 3.98Å; F42-Y157 AromaticContact CE1-CE1 3.72Å; F42-Y157 HydrophobicContact CE1-CE1 3.72Å; F42-Y157 HydrophobicContact CE2-CE1 4.41Å; F42-Y157 AromaticContact CG-CD1 3.7Å; F42-Y157 HydrophobicContact CG-CD1 3.7Å; F42-Y157 AromaticContact CG-CE1 3.35Å; F42-Y157 HydrophobicContact CG-CE1 3.35Å; F42-Y157 HydrophobicContact CG-CE2 4.46Å; F42-Y157 HydrophobicContact CG-CG 4.37Å; F42-Y157 AromaticContact CG-CZ 3.79Å; F42-Y157 HydrophobicContact CZ-CE1 4.29Å; I51-Y157 WeakPolarHBondContact CG2-OH 3.45Å; F55-Y157 AromaticContact CE2-CE1 3.82Å; F55-Y157 HydrophobicContact CE2-CE1 3.82Å; F55-Y157 AromaticContact CE2-CZ 3.98Å; F55-Y157 VanDerWaalsContact CE2-OH 3.27Å; F55-Y157 WeakPolarHBondContact CE2-OH 3.39Å; F55-Y157 AromaticContact CZ-CE1 3.77Å; F55-Y157 HydrophobicContact CZ-CE1 3.77Å; K153-Y157 WeakPolarHBondContact O-CB 3.32Å; K153-Y157 PolarHBondContact O-N 3.02Å; L154-Y157 PolarHBondContact O-N 3.4Å; E155-Y157 VanDerWaalsContact C-N 3.31Å; E155-Y157 PolarHBondContact O-N 3.11Å
158	F	98.6	Very high	98.6	Very high	17 Å²	17	15.9 Å²	15.9	8%	0.075	9%	0.085	C	C	.	.	H	α-helix	trans	-86.3	-23.1	-174.4	-75.8	-64.2	0	0	0	113.9	F42 F55 W59 L154 S160 V162 F186 T258 Y259	F42-F158 HydrophobicContact CD2-CE2 4.33Å; F42-F158 HydrophobicContact CD2-CZ 4.07Å; F42-F158 HydrophobicContact CE2-CE2 4.21Å; F42-F158 AromaticContact CE2-CZ 3.59Å; F42-F158 HydrophobicContact CE2-CZ 3.59Å; F42-F158 HydrophobicContact CZ-CZ 4.12Å; F55-F158 HydrophobicContact CE1-CE1 4.29Å; F55-F158 AromaticContact CZ-CE1 3.92Å; F55-F158 HydrophobicContact CZ-CE1 3.92Å; W59-F158 HydrophobicContact CH2-CD1 4.17Å; W59-F158 AromaticContact CH2-CE1 3.76Å; W59-F158 HydrophobicContact CH2-CE1 3.76Å; W59-F158 HydrophobicContact CH2-CZ 4.45Å; W59-F158 HydrophobicContact CZ2-CE1 4.44Å; W59-F158 AromaticContact CZ3-CE1 3.89Å; W59-F158 HydrophobicContact CZ3-CE1 3.89Å; W59-F158 HydrophobicContact CZ3-CZ 4.31Å; L154-F158 HydrophobicContact CB-CD2 4.21Å; L154-F158 HydrophobicContact CB-CE2 4.38Å; L154-F158 HydrophobicContact CD2-CE2 4.12Å; L154-F158 WeakPolarHBondContact O-CB 3.29Å; L154-F158 VanDerWaalsContact O-CD2 3.25Å; L154-F158 WeakPolarHBondContact O-CD2 3.35Å; L154-F158 PolarHBondContact O-N 2.64Å; F158-S160 PolarHBondContact O-N 3.07Å; F158-V162 HydrophobicContact CD2-CG2 4.43Å; F158-F186 HydrophobicContact CE2-CE2 4.08Å; F158-F186 AromaticContact CZ-CE2 3.69Å; F158-F186 HydrophobicContact CZ-CE2 3.69Å; F158-F186 AromaticContact CZ-CZ 3.8Å; F158-F186 HydrophobicContact CZ-CZ 3.8Å; F158-T258 HydrophobicContact CD2-CG2 4.08Å; F158-T258 HydrophobicContact CE2-CG2 4.25Å; F158-T258 HydrophobicContact CG-CG2 4.25Å; F158-Y259 HydrophobicContact CB-CE2 4.1Å; F158-Y259 HydrophobicContact CD1-CE2 4.03Å; F158-Y259 HydrophobicContact CG-CE2 4.43Å
159	G	98.2	Very high	98.6	Very high	40 Å²	40	14.7 Å²	14.7	41%	0.412	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	31.3	-170	0	0	0	0	0	112.5	E155	E155-G159 WeakPolarHBondContact O-CA 3.45Å; E155-G159 PolarHBondContact O-N 3.13Å
160	S	98.6	Very high	98.6	Very high	9 Å²	9	13 Å²	13	6%	0.063	7%	0.073	C	C	.	.	S	Bend	trans	-144.3	153.4	-178.8	-175.3	0	0	0	0	108.8	F158 T258 Y259 F334	F158-S160 PolarHBondContact O-N 3.07Å; S160-T258 WeakPolarHBondContact CB-OG1 3.22Å; S160-T258 PolarHBondContact OG-OG1 2.9Å; S160-Y259 PolarHBondContact OG-N 3.1Å; S160-F334 VanDerWaalsContact C-CE2 3.41Å; S160-F334 WeakPolarHBondContact O-CE2 3.49Å
161	L	98.6	Very high	98.6	Very high	32 Å²	32	13.8 Å²	13.8	17%	0.168	8%	0.08	C	C	.	.			trans	-60.3	141.3	177	-63	176.2	0	0	0	110.6	E155 T258 F334 H337 R338 M405	E155-L161 WeakPolarHBondContact OE1-CA 3.31Å; L161-T258 WeakPolarHBondContact O-CA 3.41Å; L161-T258 WeakPolarHBondContact O-CB 3.46Å; L161-T258 PolarHBondContact O-OG1 3.48Å; L161-F334 HydrophobicContact CD2-CD2 3.86Å; L161-F334 HydrophobicContact CD2-CE2 4.39Å; L161-F334 HydrophobicContact CG-CD2 4.19Å; L161-H337 HydrophobicContact CD1-CB 3.88Å; L161-H337 VanDerWaalsContact CD2-C 3.5Å; L161-H337 HydrophobicContact CD2-CB 4.03Å; L161-R338 HydrophobicContact CD2-CB 3.72Å; L161-R338 VanDerWaalsContact CD2-N 3.33Å; L161-M405 HydrophobicContact CB-CE 4.13Å; L161-M405 HydrophobicContact CB-SD 3.88Å; L161-M405 HydrophobicContact CD1-CE 4.42Å; L161-M405 HydrophobicContact CD1-SD 3.92Å; L161-M405 HydrophobicContact CG-SD 4.35Å
162	V	98.9	Very high	98.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.103	C	C	.	.			trans	-124	100.4	-179.9	-178.4	0	0	0	0	109.8	Q151 L154 E155 F158 I256 S257 H404	Q151-V162 HydrophobicContact CB-CB 4.46Å; Q151-V162 HydrophobicContact CB-CG1 4.1Å; Q151-V162 HydrophobicContact CG-CG1 3.94Å; Q151-V162 PolarHBondContact NE2-O 2.82Å; L154-V162 HydrophobicContact CB-CG1 4.25Å; L154-V162 HydrophobicContact CB-CG2 3.95Å; L154-V162 HydrophobicContact CD1-CG1 4.49Å; E155-V162 HydrophobicContact CB-CG2 4.34Å; E155-V162 HydrophobicContact CG-CB 3.58Å; E155-V162 HydrophobicContact CG-CG2 3.55Å; E155-V162 PolarHBondContact OE1-N 3.05Å; E155-V162 VanDerWaalsContact OE1-N 3.08Å; F158-V162 HydrophobicContact CD2-CG2 4.43Å; V162-I256 HydrophobicContact CG1-CG2 3.37Å; V162-S257 CarbonylContact C-O 3.54Å; V162-S257 WeakPolarHBondContact CA-O 3.42Å; V162-H404 PolarHBondContact O-CE1 3.03Å; V162-H404 VanDerWaalsContact O-CE1 3.27Å
163	G	98.8	Very high	98.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	171.4	172.3	0	0	0	0	0	112.6	Q151 S257	Q151-G163 PolarHBondContact NE2-O 2.93Å; G163-S257 PolarHBondContact N-O 3.43Å; G163-S257 PolarHBondContact O-N 3.14Å; G163-S257 PolarHBondContact O-OG 3.07Å
164	S	98.9	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.7	165.7	70.3	0	0	0	0	113.5	Q139 P140 Q141 Q151 T255	Q139-S164 WeakPolarHBondContact CA-O 3.47Å; Q139-S164 PolarHBondContact N-O 2.9Å; Q139-S164 VanDerWaalsContact OE1-N 3.07Å; Q139-S164 PolarHBondContact OE1-O 2.97Å; P140-S164 VanDerWaalsContact CD-O 3.26Å; P140-S164 WeakPolarHBondContact CD-O 3.44Å; P140-S164 VanDerWaalsContact CD-OG 3.25Å; P140-S164 WeakPolarHBondContact CD-OG 3.3Å; P140-S164 WeakPolarHBondContact CG-OG 3.48Å; Q141-S164 PolarHBondContact OE1-OG 3.2Å; Q151-S164 PolarHBondContact OE1-OG 3.45Å; S164-T255 CarbonylContact C-O 3.59Å; S164-T255 WeakPolarHBondContact CA-O 3.15Å; S164-T255 VanDerWaalsContact CB-O 3.28Å; S164-T255 WeakPolarHBondContact CB-O 3.37Å
165	N	98.9	Very high	98.3	Very high	31 Å²	31	16.2 Å²	16.2	17%	0.166	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135	174.2	-72.7	-50.4	0	0	0	109.9	F137 H138 Y167 V254 T255	F137-N165 WeakPolarHBondContact O-CA 3.43Å; H138-N165 WeakPolarHBondContact CA-OD1 3.49Å; H138-N165 PolarHBondContact CD2-OD1 2.66Å; N165-Y167 HydrophobicContact CB-CD2 4.43Å; N165-Y167 HydrophobicContact CB-CE2 3.66Å; N165-V254 WeakPolarHBondContact O-CA 3.41Å; N165-T255 PolarHBondContact N-O 3.08Å; N165-T255 PolarHBondContact O-N 2.84Å
166	V	98.9	Very high	98.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.9	172.5	171.9	0	0	0	0	109.7	F81 Q136 F137 P140 M168 T252 H253 V254	F81-V166 HydrophobicContact CB-CG2 4.06Å; F81-V166 HydrophobicContact CD1-CB 4.42Å; F81-V166 HydrophobicContact CD1-CG1 3.73Å; F81-V166 HydrophobicContact CD1-CG2 4.21Å; F81-V166 HydrophobicContact CD2-CG2 3.93Å; F81-V166 HydrophobicContact CE1-CG1 4.07Å; F81-V166 HydrophobicContact CE2-CG2 4.46Å; F81-V166 HydrophobicContact CG-CB 4.49Å; F81-V166 HydrophobicContact CG-CG1 4.16Å; F81-V166 HydrophobicContact CG-CG2 3.8Å; Q136-V166 CarbonylContact C-O 3.56Å; Q136-V166 VanDerWaalsContact CA-O 3.32Å; Q136-V166 WeakPolarHBondContact CA-O 3.15Å; F137-V166 HydrophobicContact CB-CB 4.27Å; F137-V166 PolarHBondContact N-O 3.27Å; F137-V166 PolarHBondContact O-N 2.78Å; P140-V166 HydrophobicContact CB-CG2 4.14Å; P140-V166 HydrophobicContact CG-CG2 3.89Å; V166-M168 HydrophobicContact CG1-CE 4.05Å; V166-M168 HydrophobicContact CG1-CG 4.13Å; V166-M168 HydrophobicContact CG1-SD 4.45Å; V166-T252 HydrophobicContact CG1-CG2 3.84Å; V166-H253 WeakPolarHBondContact CA-O 3.48Å; V166-V254 HydrophobicContact CG2-CB 3.98Å; V166-V254 HydrophobicContact CG2-CG2 3.91Å
167	Y	98.8	Very high	98.1	Very high	25 Å²	25	16.4 Å²	16.4	10%	0.098	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.8	177.1	-62.6	-91	0	0	0	110.3	T134 I135 Q136 N165 L176 T252 H253	T134-Y167 HydrophobicContact CG2-CD1 4.44Å; I135-Y167 WeakPolarHBondContact O-CA 3.17Å; Q136-Y167 HydrophobicContact CB-CD1 4.03Å; Q136-Y167 HydrophobicContact CB-CE1 3.99Å; Q136-Y167 HydrophobicContact CG-CD1 4.04Å; Q136-Y167 HydrophobicContact CG-CE1 3.56Å; Q136-Y167 PolarHBondContact NE2-OH 3.42Å; N165-Y167 HydrophobicContact CB-CD2 4.43Å; N165-Y167 HydrophobicContact CB-CE2 3.66Å; Y167-L176 HydrophobicContact CE1-CD1 3.95Å; Y167-T252 WeakPolarHBondContact O-CA 3.36Å; Y167-H253 AromaticContact CD2-CD2 3.78Å; Y167-H253 AromaticContact CD2-CE1 3.98Å; Y167-H253 AromaticContact CD2-NE2 3.21Å; Y167-H253 WeakPolarHBondContact CD2-NE2 3.33Å; Y167-H253 AromaticContact CG-CE1 3.98Å; Y167-H253 AromaticContact CG-NE2 3.67Å; Y167-H253 PolarHBondContact N-O 3.34Å; Y167-H253 PolarHBondContact O-N 2.94Å; Y167-H253 VanDerWaalsContact O-N 3.1Å
168	M	98.7	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.6	175.2	-63.9	157.8	-80.6	0	0	108.5	F81 L83 M86 F128 T134 I135 F137 V166 S251 T252	F81-M168 HydrophobicContact CE1-CE 4.29Å; F81-M168 HydrophobicContact CE1-SD 4.24Å; L83-M168 HydrophobicContact CB-SD 4.08Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 HydrophobicContact CD1-CG 4.22Å; L83-M168 HydrophobicContact CD1-SD 3.4Å; L83-M168 WeakPolarHBondContact CD1-SD 3.46Å; L83-M168 HydrophobicContact CG-SD 4.33Å; M86-M168 HydrophobicContact CG-CE 4.05Å; M86-M168 HydrophobicContact CG-SD 3.99Å; M86-M168 HydrophobicContact SD-CE 4Å; F128-M168 HydrophobicContact CE2-CB 4.07Å; F128-M168 WeakPolarHBondContact CE2-O 3.14Å; T134-M168 CarbonylContact C-O 3.56Å; T134-M168 VanDerWaalsContact CA-O 3.27Å; T134-M168 WeakPolarHBondContact CA-O 3.33Å; I135-M168 HydrophobicContact CB-CB 4.36Å; I135-M168 HydrophobicContact CB-CE 3.92Å; I135-M168 HydrophobicContact CG2-CE 3.57Å; I135-M168 PolarHBondContact N-O 3.22Å; I135-M168 PolarHBondContact O-N 3.26Å; F137-M168 HydrophobicContact CB-CE 4.21Å; V166-M168 HydrophobicContact CG1-CE 4.05Å; V166-M168 HydrophobicContact CG1-CG 4.13Å; V166-M168 HydrophobicContact CG1-SD 4.45Å; M168-S251 CarbonylContact C-O 3.59Å; M168-S251 WeakPolarHBondContact CA-O 3.36Å; M168-T252 HydrophobicContact CG-CG2 3.78Å
169	T	98.6	Very high	98.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.2	-175.1	-59.4	0	0	0	0	110.6	T134 S173 K194 T244 H250 S251	T134-T169 WeakPolarHBondContact CG2-OG1 3.22Å; T134-T169 WeakPolarHBondContact OG1-CB 3.25Å; T134-T169 VanDerWaalsContact OG1-CG2 3.31Å; T134-T169 WeakPolarHBondContact OG1-CG2 3.25Å; T134-T169 PolarHBondContact OG1-OG1 3.3Å; T169-S173 WeakPolarHBondContact CG2-O 3.14Å; T169-S173 WeakPolarHBondContact CG2-OG 3.39Å; T169-K194 PolarHBondContact OG1-NZ 2.82Å; T169-T244 WeakPolarHBondContact CB-OG1 3.42Å; T169-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T169-T244 PolarHBondContact O-OG1 2.9Å; T169-T244 VanDerWaalsContact O-OG1 3.05Å; T169-H250 WeakPolarHBondContact O-CA 3.3Å; T169-S251 PolarHBondContact N-O 3.38Å; T169-S251 PolarHBondContact O-N 3.39Å
170	P	97.9	Very high	98.1	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	158.2	-179.7	24.7	-28.2	0	0	0	111.5	F128 R132 A133 S173 T244	F128-P170 HydrophobicContact CD1-CB 4.08Å; F128-P170 HydrophobicContact CD2-CB 4.47Å; F128-P170 HydrophobicContact CD2-CG 4.25Å; F128-P170 HydrophobicContact CE1-CB 3.72Å; F128-P170 HydrophobicContact CE1-CG 4.49Å; F128-P170 HydrophobicContact CE2-CB 4.14Å; F128-P170 HydrophobicContact CE2-CG 4.19Å; F128-P170 HydrophobicContact CG-CB 4.45Å; F128-P170 HydrophobicContact CG-CG 4.44Å; F128-P170 HydrophobicContact CZ-CB 3.76Å; F128-P170 HydrophobicContact CZ-CG 4.32Å; R132-P170 HydrophobicContact CB-CG 4.21Å; A133-P170 VanDerWaalsContact O-CD 3.28Å; A133-P170 WeakPolarHBondContact O-CD 3.04Å; P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact CG-OG 3.38Å; P170-S173 WeakPolarHBondContact O-CB 3.03Å; P170-S173 PolarHBondContact O-OG 2.95Å; P170-T244 WeakPolarHBondContact O-CB 3.41Å
171	A	97.4	Very high	98.1	Very high	17 Å²	17	13.6 Å²	13.6	14%	0.14	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	147.5	179.8	0	0	0	0	0	113.9	S173 T244 L248 A249	A171-S173 VanDerWaalsContact C-N 3.27Å; A171-S173 PolarHBondContact O-N 3.33Å; A171-T244 HydrophobicContact CB-CG2 4.47Å; A171-L248 WeakPolarHBondContact CB-O 3.47Å; A171-A249 PolarHBondContact N-O 2.82Å
172	G	96.7	Very high	98.1	Very high	46 Å²	46	13.6 Å²	13.6	47%	0.474	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	30.5	179.8	0	0	0	0	0	113.7	T244 P245	G172-T244 WeakPolarHBondContact CA-O 3.44Å; G172-T244 PolarHBondContact N-O 3.02Å; G172-P245 PolarHBondContact N-O 3.19Å; G172-P245 VanDerWaalsContact N-O 3.16Å
173	S	97.1	Very high	98.1	Very high	10 Å²	10	14.3 Å²	14.3	7%	0.07	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	-174.9	82.7	0	0	0	0	114	T169 P170 A171 N243 T244	T169-S173 WeakPolarHBondContact CG2-O 3.14Å; T169-S173 WeakPolarHBondContact CG2-OG 3.39Å; P170-S173 WeakPolarHBondContact CD-OG 3.47Å; P170-S173 WeakPolarHBondContact CG-OG 3.38Å; P170-S173 WeakPolarHBondContact O-CB 3.03Å; P170-S173 PolarHBondContact O-OG 2.95Å; A171-S173 VanDerWaalsContact C-N 3.27Å; A171-S173 PolarHBondContact O-N 3.33Å; S173-N243 WeakPolarHBondContact O-CA 3.35Å; S173-T244 PolarHBondContact N-O 3.45Å; S173-T244 PolarHBondContact O-N 3.28Å
174	Q	97.8	Very high	98.1	Very high	36 Å²	36	14.2 Å²	14.2	17%	0.168	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.2	177.3	-179.9	168.4	-17.4	0	0	109.5	C105 L176 A242 N243	C105-Q174 HydrophobicContact CB-CB 4.14Å; C105-Q174 HydrophobicContact CB-CG 3.77Å; C105-Q174 WeakPolarHBondContact CB-O 3.17Å; C105-Q174 PolarHBondContact N-O 3.14Å; Q174-L176 VanDerWaalsContact CG-O 3.3Å; Q174-L176 WeakPolarHBondContact CG-O 3.34Å; Q174-L176 PolarHBondContact NE2-O 3.41Å; Q174-A242 WeakPolarHBondContact CG-O 3.29Å; Q174-N243 HydrophobicContact CB-CB 4.02Å; Q174-N243 HydrophobicContact CG-CB 4.48Å
175	G	96.6	Very high	98.1	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	9%	0.087	C	C	.	.	S	Bend	trans	-83.5	-47.4	-178.5	0	0	0	0	0	113.5	R104 C105 T134	R104-G175 CarbonylContact C-O 3.6Å; R104-G175 WeakPolarHBondContact CA-O 3.31Å; C105-G175 PolarHBondContact N-O 3.22Å; T134-G175 WeakPolarHBondContact OG1-CA 3.2Å
176	L	97.1	Very high	98.1	Very high	24 Å²	24	12.9 Å²	12.9	13%	0.126	8%	0.08	C	C	.	.	S	Bend	trans	-121.2	143.8	-171.1	-60.5	175.1	0	0	0	110.7	K110 Y167 Q174	K110-L176 HydrophobicContact CD-CD2 3.62Å; K110-L176 VanDerWaalsContact CE-CD2 3.46Å; K110-L176 HydrophobicContact CG-CD2 4.01Å; Y167-L176 HydrophobicContact CE1-CD1 3.95Å; Q174-L176 VanDerWaalsContact CG-O 3.3Å; Q174-L176 WeakPolarHBondContact CG-O 3.34Å; Q174-L176 PolarHBondContact NE2-O 3.41Å
177	P	97.3	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.			trans	-68.7	171.9	168.2	34	-37.1	0	0	0	110.8	G108 K110 H179 V211	G108-P177 VanDerWaalsContact O-CB 3.25Å; G108-P177 WeakPolarHBondContact O-CB 3.44Å; K110-P177 HydrophobicContact CB-CG 4.17Å; P177-H179 PolarHBondContact O-N 2.96Å; P177-H179 PolarHBondContact O-ND1 3.45Å; P177-V211 HydrophobicContact CB-CG1 4.2Å; P177-V211 HydrophobicContact CG-CG1 3.74Å; P177-V211 HydrophobicContact CG-CG2 4.36Å
178	P	97.9	Very high	98.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	8%	0.075	C	C	.	.	S	Bend	trans	-55.4	134.5	170.1	-17	26.5	0	0	0	111.9	E212 E214 I217 I239 H240 Q241	P178-E212 PolarHBondContact O-N 3.1Å; P178-E214 HydrophobicContact CG-CG 3.61Å; P178-I217 HydrophobicContact CB-CD1 3.75Å; P178-I217 HydrophobicContact CG-CD1 3.84Å; P178-I239 HydrophobicContact CB-CG2 4.23Å; P178-H240 WeakPolarHBondContact CA-O 3.26Å; P178-Q241 HydrophobicContact CB-CB 4.38Å; P178-Q241 HydrophobicContact CG-CB 4.26Å; P178-Q241 HydrophobicContact CG-CG 4.27Å
179	H	98.2	Very high	98.1	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.037	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	168.6	-180	59	-73.4	0	0	0	110.1	P177 D181 Y209 S210 V211 I239 H240	P177-H179 PolarHBondContact O-N 2.96Å; P177-H179 PolarHBondContact O-ND1 3.45Å; H179-D181 IonicContact CD2-OD1 3.73Å; H179-D181 PolarHBondContact CD2-OD1 2.92Å; H179-D181 IonicContact NE2-OD1 3.93Å; H179-Y209 HydrophobicContact CB-CE2 4.03Å; H179-Y209 AromaticContact CD2-CE2 3.45Å; H179-Y209 VanDerWaalsContact CD2-CE2 3.45Å; H179-Y209 WeakPolarHBondContact CD2-CE2 3.33Å; H179-Y209 AromaticContact CG-CE2 3.97Å; H179-S210 CarbonylContact C-O 3.55Å; H179-S210 WeakPolarHBondContact CA-O 3.06Å; H179-S210 WeakPolarHBondContact CB-O 2.91Å; H179-V211 HydrophobicContact CB-CG2 4.48Å; H179-I239 CarbonylContact O-C 3.59Å; H179-I239 VanDerWaalsContact O-CA 3.3Å; H179-I239 WeakPolarHBondContact O-CA 3.35Å; H179-H240 AromaticContact CD2-CE1 3.84Å; H179-H240 AromaticContact CD2-NE2 3.82Å; H179-H240 AromaticContact CE1-NE2 3.53Å; H179-H240 PolarHBondContact N-O 3.14Å; H179-H240 AromaticContact NE2-CE1 3.74Å; H179-H240 AromaticContact NE2-NE2 3.25Å; H179-H240 PolarHBondContact NE2-NE2 2.95Å; H179-H240 PolarHBondContact O-N 3.47Å; H179-H240 PolarHBondContact O-ND1 3.5Å
180	Y	98.5	Very high	98.1	Very high	19 Å²	19	11.7 Å²	11.7	8%	0.075	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.7	161.9	60.9	-104.9	0	0	0	110.1	T202 A206 E208 Y209 S210 E212 G237 I239	Y180-T202 WeakPolarHBondContact CE1-OG1 3.41Å; Y180-A206 HydrophobicContact CD2-CB 3.66Å; Y180-A206 HydrophobicContact CE2-CB 3.38Å; Y180-E208 WeakPolarHBondContact CE2-O 3.25Å; Y180-Y209 WeakPolarHBondContact O-CD2 3.47Å; Y180-S210 PolarHBondContact N-O 3.42Å; Y180-S210 PolarHBondContact O-N 3.39Å; Y180-S210 VanDerWaalsContact O-N 3.12Å; Y180-S210 VanDerWaalsContact OH-CB 3.24Å; Y180-S210 WeakPolarHBondContact OH-CB 3.49Å; Y180-E212 HydrophobicContact CD1-CG 4Å; Y180-E212 HydrophobicContact CE1-CG 4.03Å; Y180-E212 WeakPolarHBondContact CE1-OE1 3.43Å; Y180-G237 VanDerWaalsContact CB-C 3.47Å; Y180-G237 WeakPolarHBondContact CB-O 3.47Å; Y180-I239 HydrophobicContact CD1-CG1 3.91Å
181	D	98.4	Very high	98.1	Very high	29 Å²	29	12.6 Å²	12.6	16%	0.155	8%	0.079	C	C	.	.			trans	-103.1	168.9	177	-57.2	-52.6	0	0	0	111.3	H179 V183 Y209 R236 G237 H240	H179-D181 IonicContact CD2-OD1 3.73Å; H179-D181 PolarHBondContact CD2-OD1 2.92Å; H179-D181 IonicContact NE2-OD1 3.93Å; D181-V183 HydrophobicContact CB-CG2 3.97Å; D181-Y209 WeakPolarHBondContact OD1-CD2 3.32Å; D181-R236 WeakPolarHBondContact O-CB 3.45Å; D181-G237 PolarHBondContact O-N 3.15Å; D181-H240 IonicContact OD2-CE1 2.67Å; D181-H240 PolarHBondContact OD2-CE1 3.47Å; D181-H240 IonicContact OD2-NE2 2.83Å
182	D	98.4	Very high	98.1	Very high	32 Å²	32	13 Å²	13	17%	0.171	9%	0.085	C	C	.	.	S	Bend	trans	-97.8	16.5	179.6	62.5	-27	0	0	0	113.8	R207 Q260	D182-R207 VanDerWaalsContact CB-C 3.5Å; D182-Q260 PolarHBondContact OD2-NE2 3.39Å
183	V	98.8	Very high	98.2	Very high	16 Å²	16	14.2 Å²	14.2	10%	0.097	8%	0.078	C	C	.	.	S	Bend	trans	-135.7	153.2	-173	-72.1	0	0	0	0	112	D181 V185 R236 T258 Q260	D181-V183 HydrophobicContact CB-CG2 3.97Å; V183-V185 HydrophobicContact CG2-CG1 3.8Å; V183-R236 WeakPolarHBondContact O-CA 3.21Å; V183-R236 WeakPolarHBondContact O-CB 3.3Å; V183-T258 WeakPolarHBondContact CB-O 3.45Å; V183-Q260 HydrophobicContact CG1-CB 3.62Å; V183-Q260 HydrophobicContact CG1-CG 3.89Å
184	E	98.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.1	167.9	-59.4	-61.2	114.5	0	0	108.5	W59 Y233 P235 R236 S257 T258 Y259	W59-E184 HydrophobicContact CH2-CB 3.62Å; W59-E184 HydrophobicContact CH2-CG 3.54Å; W59-E184 HydrophobicContact CZ2-CB 4.43Å; W59-E184 HydrophobicContact CZ2-CG 3.85Å; W59-E184 HydrophobicContact CZ3-CB 3.8Å; W59-E184 HydrophobicContact CZ3-CG 3.99Å; E184-Y233 HydrophobicContact CB-CE2 4.42Å; E184-Y233 PolarHBondContact OE2-OH 3.39Å; E184-P235 VanDerWaalsContact OE2-CA 3.3Å; E184-P235 WeakPolarHBondContact OE2-CA 3.49Å; E184-P235 WeakPolarHBondContact OE2-CB 3.27Å; E184-R236 WeakPolarHBondContact OE1-CG 3.42Å; E184-R236 IonicContact OE1-CZ 3.42Å; E184-R236 PolarHBondContact OE1-N 2.86Å; E184-R236 IonicContact OE1-NH1 3.02Å; E184-R236 PolarHBondContact OE1-NH1 3.16Å; E184-S257 CarbonylContact O-C 3.59Å; E184-S257 VanDerWaalsContact O-CA 3.26Å; E184-S257 WeakPolarHBondContact O-CA 3.48Å; E184-T258 HydrophobicContact CB-CG2 4.26Å; E184-T258 PolarHBondContact N-O 2.76Å; E184-T258 PolarHBondContact O-N 2.86Å; E184-Y259 HydrophobicContact CG-CG 4.35Å
185	V	98.8	Very high	98.3	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.6	-172.5	-59.4	0	0	0	0	114.1	V183 Y233 F234 T255 I256	V183-V185 HydrophobicContact CG2-CG1 3.8Å; V185-Y233 VanDerWaalsContact O-CA 3.32Å; V185-Y233 WeakPolarHBondContact O-CA 3.34Å; V185-Y233 WeakPolarHBondContact O-CD2 3.43Å; V185-F234 HydrophobicContact CG2-CD1 4.19Å; V185-F234 HydrophobicContact CG2-CD2 3.46Å; V185-F234 VanDerWaalsContact CG2-CD2 3.46Å; V185-F234 HydrophobicContact CG2-CE1 3.96Å; V185-F234 HydrophobicContact CG2-CE2 3.19Å; V185-F234 HydrophobicContact CG2-CG 3.97Å; V185-F234 HydrophobicContact CG2-CZ 3.47Å; V185-F234 VanDerWaalsContact CG2-CZ 3.47Å; V185-F234 PolarHBondContact N-O 3.43Å; V185-F234 PolarHBondContact O-N 2.97Å; V185-T255 HydrophobicContact CB-CG2 3.78Å; V185-T255 HydrophobicContact CG1-CG2 3.77Å; V185-I256 CarbonylContact C-O 3.53Å; V185-I256 WeakPolarHBondContact CA-O 3.43Å
186	F	98.9	Very high	98.4	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.2	168.6	-60.9	-92.3	0	0	0	108.7	F42 I46 F54 W59 F158 L188 L231 L232 Y233 I256	F42-F186 AromaticContact CE2-CE1 3.87Å; F42-F186 HydrophobicContact CE2-CE1 3.87Å; F42-F186 AromaticContact CE2-CZ 3.72Å; F42-F186 HydrophobicContact CE2-CZ 3.72Å; F42-F186 HydrophobicContact CZ-CE1 4.2Å; F42-F186 HydrophobicContact CZ-CZ 4.08Å; I46-F186 HydrophobicContact CG2-CE1 4.29Å; F54-F186 HydrophobicContact CE1-CE1 4.43Å; F54-F186 HydrophobicContact CE1-CZ 4.14Å; F54-F186 AromaticContact CE2-CE1 3.99Å; F54-F186 HydrophobicContact CE2-CE1 3.99Å; F54-F186 HydrophobicContact CE2-CZ 4.43Å; F54-F186 AromaticContact CZ-CE1 3.61Å; F54-F186 HydrophobicContact CZ-CE1 3.61Å; F54-F186 AromaticContact CZ-CZ 3.6Å; F54-F186 HydrophobicContact CZ-CZ 3.6Å; W59-F186 HydrophobicContact CZ3-CE2 4.16Å; W59-F186 HydrophobicContact CZ3-CZ 4.06Å; F158-F186 HydrophobicContact CE2-CE2 4.08Å; F158-F186 AromaticContact CZ-CE2 3.69Å; F158-F186 HydrophobicContact CZ-CE2 3.69Å; F158-F186 AromaticContact CZ-CZ 3.8Å; F158-F186 HydrophobicContact CZ-CZ 3.8Å; F186-L188 HydrophobicContact CB-CD1 4.34Å; F186-L231 HydrophobicContact CD1-CD2 4.4Å; F186-L232 CarbonylContact C-O 3.5Å; F186-Y233 AromaticContact CD1-CD2 3.98Å; F186-Y233 HydrophobicContact CD1-CD2 3.98Å; F186-Y233 HydrophobicContact CD1-CG 4.37Å; F186-Y233 HydrophobicContact CD2-CD2 4.46Å; F186-Y233 AromaticContact CE1-CD2 3.61Å; F186-Y233 HydrophobicContact CE1-CD2 3.61Å; F186-Y233 HydrophobicContact CE1-CE2 4.47Å; F186-Y233 HydrophobicContact CE1-CG 4.07Å; F186-Y233 HydrophobicContact CE2-CD2 4.13Å; F186-Y233 HydrophobicContact CE2-CE2 4.48Å; F186-Y233 HydrophobicContact CG-CD2 4.39Å; F186-Y233 AromaticContact CZ-CD2 3.69Å; F186-Y233 HydrophobicContact CZ-CD2 3.69Å; F186-Y233 HydrophobicContact CZ-CE2 4.14Å; F186-I256 HydrophobicContact CB-CB 4.4Å; F186-I256 PolarHBondContact N-O 2.89Å; F186-I256 PolarHBondContact O-N 2.86Å
187	I	98.9	Very high	98.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.5	-178.4	-60.3	-179	0	0	0	108.6	W196 L226 L231 L232 F234 H253 V254 T255	I187-W196 HydrophobicContact CD1-CH2 3.33Å; I187-W196 HydrophobicContact CD1-CZ2 3.83Å; I187-W196 HydrophobicContact CD1-CZ3 3.77Å; I187-W196 HydrophobicContact CG2-CZ2 4.14Å; I187-L226 HydrophobicContact CG2-CD1 4.21Å; I187-L231 CarbonylContact O-C 3.57Å; I187-L231 WeakPolarHBondContact O-CA 3.47Å; I187-L232 HydrophobicContact CB-CB 4.2Å; I187-L232 HydrophobicContact CD1-CD2 4.27Å; I187-L232 PolarHBondContact N-O 3.43Å; I187-L232 PolarHBondContact O-N 2.98Å; I187-F234 HydrophobicContact CD1-CE1 3.64Å; I187-F234 HydrophobicContact CD1-CZ 3.9Å; I187-H253 HydrophobicContact CG2-CB 4.05Å; I187-V254 WeakPolarHBondContact CA-O 3.43Å; I187-T255 HydrophobicContact CG1-CG2 4.03Å
188	L	98.9	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.8	175.6	-75.6	64.8	0	0	0	108.2	L45 Y77 L80 F186 L190 L231 H253 V254 I256	L45-L188 HydrophobicContact CD1-CD1 4.4Å; L45-L188 HydrophobicContact CD1-CD2 4.08Å; Y77-L188 HydrophobicContact CD1-CD2 4.35Å; Y77-L188 HydrophobicContact CD2-CB 3.81Å; Y77-L188 HydrophobicContact CD2-CD2 4.24Å; Y77-L188 HydrophobicContact CD2-CG 4.1Å; Y77-L188 HydrophobicContact CE1-CD2 3.91Å; Y77-L188 HydrophobicContact CE1-CG 4.49Å; Y77-L188 HydrophobicContact CE2-CB 3.68Å; Y77-L188 HydrophobicContact CE2-CD2 3.8Å; Y77-L188 HydrophobicContact CE2-CG 3.49Å; Y77-L188 VanDerWaalsContact CE2-CG 3.49Å; L80-L188 HydrophobicContact CD1-CD2 3.9Å; F186-L188 HydrophobicContact CB-CD1 4.34Å; L188-L190 HydrophobicContact CB-CD2 3.91Å; L188-L190 VanDerWaalsContact O-CD2 3.3Å; L188-L190 WeakPolarHBondContact O-CD2 3.3Å; L188-L190 PolarHBondContact O-N 2.82Å; L188-L231 HydrophobicContact CD1-CD1 4.04Å; L188-L231 HydrophobicContact CD1-CG 4.45Å; L188-L231 HydrophobicContact CG-CD1 4.5Å; L188-H253 VanDerWaalsContact O-CA 3.3Å; L188-H253 WeakPolarHBondContact O-CA 3.48Å; L188-H253 VanDerWaalsContact O-CB 3.31Å; L188-H253 WeakPolarHBondContact O-CB 3.5Å; L188-V254 HydrophobicContact CB-CG1 3.85Å; L188-V254 PolarHBondContact N-O 3.05Å; L188-V254 PolarHBondContact O-N 2.84Å; L188-I256 HydrophobicContact CD1-CD1 4.19Å
189	Q	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.2	177.3	-175.9	74.3	17.7	0	0	109.8	E191 G192 L226 K227 P228 G229 D230 S251	Q189-E191 PolarHBondContact NE2-O 3.05Å; Q189-E191 VanDerWaalsContact NE2-O 3.13Å; Q189-G192 PolarHBondContact NE2-O 2.94Å; Q189-L226 HydrophobicContact CB-CB 3.98Å; Q189-L226 HydrophobicContact CG-CB 4Å; Q189-K227 WeakPolarHBondContact CB-O 3.41Å; Q189-K227 VanDerWaalsContact CG-C 3.41Å; Q189-K227 WeakPolarHBondContact CG-O 3.47Å; Q189-P228 WeakPolarHBondContact O-CA 3.17Å; Q189-G229 PolarHBondContact O-N 3.04Å; Q189-D230 PolarHBondContact N-O 2.97Å; Q189-D230 VanDerWaalsContact N-O 3.14Å; Q189-S251 PolarHBondContact NE2-OG 3.02Å
190	L	98.7	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-45.7	-169.7	-46.3	-172.9	0	0	0	112.7	Y77 Q78 L80 F81 L188 T252 V254	Y77-L190 HydrophobicContact CD2-CD2 4.43Å; Y77-L190 HydrophobicContact CG-CD2 4.39Å; Y77-L190 WeakPolarHBondContact O-CD2 3.16Å; Q78-L190 WeakPolarHBondContact CA-O 3.45Å; Q78-L190 WeakPolarHBondContact CB-O 3.41Å; L80-L190 HydrophobicContact CB-CD1 4.37Å; L80-L190 HydrophobicContact CB-CD2 4.49Å; L80-L190 HydrophobicContact CD1-CD2 4.23Å; F81-L190 HydrophobicContact CB-CD1 3.81Å; L188-L190 HydrophobicContact CB-CD2 3.91Å; L188-L190 VanDerWaalsContact O-CD2 3.3Å; L188-L190 WeakPolarHBondContact O-CD2 3.3Å; L188-L190 PolarHBondContact O-N 2.82Å; L190-T252 WeakPolarHBondContact CA-O 3.25Å; L190-T252 HydrophobicContact CB-CG2 4.37Å; L190-T252 HydrophobicContact CD1-CG2 4.29Å; L190-T252 PolarHBondContact N-O 3.42Å; L190-V254 HydrophobicContact CD1-CB 4.13Å; L190-V254 HydrophobicContact CD1-CG1 4.09Å; L190-V254 HydrophobicContact CD2-CG1 3.99Å; L190-V254 HydrophobicContact CG-CG1 4.37Å
191	E	98.3	Very high	98.5	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.089	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.4	-179.1	-59.4	-179.8	125.5	0	0	110.8	Q78 L83 Q189 H250 S251 T252	Q78-E191 HydrophobicContact CG-CG 3.91Å; L83-E191 PolarHBondContact N-OE2 3.45Å; Q189-E191 PolarHBondContact NE2-O 3.05Å; Q189-E191 VanDerWaalsContact NE2-O 3.13Å; E191-H250 IonicContact OE2-CD2 3.61Å; E191-H250 IonicContact OE2-CE1 2.84Å; E191-H250 IonicContact OE2-NE2 3.89Å; E191-H250 PolarHBondContact OE2-NE2 2.94Å; E191-S251 CarbonylContact O-C 3.6Å; E191-S251 VanDerWaalsContact O-CA 3.27Å; E191-S251 WeakPolarHBondContact O-CA 3.36Å; E191-T252 PolarHBondContact N-O 2.86Å; E191-T252 PolarHBondContact O-N 3.21Å; E191-T252 WeakPolarHBondContact OE2-CB 3.3Å; E191-T252 PolarHBondContact OE2-OG1 3.3Å
192	G	97.6	Very high	98.4	Very high	26 Å²	26	22.7 Å²	22.7	27%	0.268	13%	0.13	S	C	.	.	S	Bend	trans	56.8	-158.8	177.4	0	0	0	0	0	113.6	Q189 P228 H250	Q189-G192 PolarHBondContact NE2-O 2.94Å; G192-P228 VanDerWaalsContact O-CD 3.3Å; G192-P228 WeakPolarHBondContact O-CD 3.2Å; G192-H250 WeakPolarHBondContact CA-O 3.46Å
193	E	98.1	Very high	98.4	Very high	71 Å²	71	24.3 Å²	24.3	33%	0.332	14%	0.141	S	C	.	.			trans	-125.2	147.5	-174.4	-53.5	-179.3	170.1	0	0	112.3	I225 L226 K227 P245 L248 S251	E193-I225 HydrophobicContact CB-CG2 3.74Å; E193-I225 HydrophobicContact CG-CG2 4.35Å; E193-L226 CarbonylContact C-O 3.53Å; E193-L226 WeakPolarHBondContact CA-O 3.48Å; E193-K227 HydrophobicContact CG-CB 4.21Å; E193-P245 WeakPolarHBondContact O-CD 3.37Å; E193-L248 HydrophobicContact CB-CD1 3.59Å; E193-L248 HydrophobicContact CG-CD1 3.94Å; E193-S251 WeakPolarHBondContact O-CB 3.41Å
194	K	98.6	Very high	98.4	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.6	177.6	-145.5	171.5	-163.4	166	0	110.8	T169 W196 I225 L226 A242 H253	T169-K194 PolarHBondContact OG1-NZ 2.82Å; K194-W196 HydrophobicContact CD-CZ2 4.41Å; K194-I225 WeakPolarHBondContact O-CA 3.36Å; K194-L226 PolarHBondContact N-O 2.6Å; K194-L226 PolarHBondContact O-N 2.85Å; K194-A242 HydrophobicContact CD-CB 3.92Å; K194-A242 HydrophobicContact CG-CB 4.1Å; K194-H253 PolarHBondContact NZ-CE1 2.57Å
195	H	98.8	Very high	98.3	Very high	39 Å²	39	31.1 Å²	31.1	18%	0.181	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.9	172.6	175.3	-145.4	0	0	0	109	D223 F224 I225 A242 N243 P245	H195-D223 IonicContact CD2-OD1 3.35Å; H195-D223 PolarHBondContact CD2-OD1 3.31Å; H195-D223 IonicContact CE1-OD1 3.78Å; H195-D223 IonicContact CE1-OD2 3Å; H195-D223 IonicContact NE2-OD1 3.92Å; H195-D223 PolarHBondContact NE2-OD1 3.35Å; H195-D223 IonicContact NE2-OD2 2.76Å; H195-D223 PolarHBondContact NE2-OD2 3Å; H195-F224 PolarHBondContact CD2-O 2.93Å; H195-I225 HydrophobicContact CB-CG1 4.43Å; H195-A242 CarbonylContact O-C 3.6Å; H195-A242 WeakPolarHBondContact O-CA 3.46Å; H195-A242 WeakPolarHBondContact O-CB 3.21Å; H195-N243 PolarHBondContact N-O 2.79Å; H195-N243 PolarHBondContact ND1-OD1 3.25Å; H195-N243 PolarHBondContact O-N 3.3Å; H195-P245 HydrophobicContact CB-CG 4.42Å
196	W	98.9	Very high	98.3	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140	-178.5	-78	86	0	0	0	110.6	I187 K194 L198 D223 F224 L226 L232 F234 H240 A242 H253	I187-W196 HydrophobicContact CD1-CH2 3.33Å; I187-W196 HydrophobicContact CD1-CZ2 3.83Å; I187-W196 HydrophobicContact CD1-CZ3 3.77Å; I187-W196 HydrophobicContact CG2-CZ2 4.14Å; K194-W196 HydrophobicContact CD-CZ2 4.41Å; W196-L198 HydrophobicContact CE3-CD2 4.34Å; W196-D223 WeakPolarHBondContact O-CA 3.44Å; W196-F224 HydrophobicContact CB-CD2 4.07Å; W196-F224 HydrophobicContact CB-CE2 3.59Å; W196-F224 HydrophobicContact CB-CZ 3.89Å; W196-F224 HydrophobicContact CG-CE2 4.15Å; W196-F224 PolarHBondContact N-O 2.78Å; W196-F224 PolarHBondContact O-N 2.63Å; W196-F224 VanDerWaalsContact O-N 3.08Å; W196-L226 HydrophobicContact CG-CD1 4.47Å; W196-L232 HydrophobicContact CD2-CD2 4.19Å; W196-L232 HydrophobicContact CE3-CD2 4.14Å; W196-L232 HydrophobicContact CG-CD2 4.49Å; W196-F234 HydrophobicContact CZ3-CE1 4.33Å; W196-F234 HydrophobicContact CZ3-CZ 4.48Å; W196-H240 HydrophobicContact CZ3-CB 4.33Å; W196-H240 AromaticContact CZ3-CD2 3.62Å; W196-A242 HydrophobicContact CD2-CB 3.54Å; W196-A242 HydrophobicContact CE3-CB 3.82Å; W196-A242 HydrophobicContact CG-CB 4Å; W196-A242 HydrophobicContact CH2-CB 4.12Å; W196-A242 HydrophobicContact CZ2-CB 3.9Å; W196-A242 HydrophobicContact CZ3-CB 4.11Å; W196-H253 AromaticContact CZ2-CE1 3.55Å; W196-H253 AromaticContact CZ2-NE2 3.85Å
197	R	98.8	Very high	98.2	Very high	50 Å²	50	36.5 Å²	36.5	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.7	170	-73.2	169.8	-75.2	150.8	0.6	108.9	Y199 P220 H222 D223 H240 Q241 N243	R197-Y199 HydrophobicContact CB-CE2 3.76Å; R197-Y199 WeakPolarHBondContact CB-OH 3.44Å; R197-Y199 WeakPolarHBondContact O-CE2 3.41Å; R197-P220 HydrophobicContact CB-CB 4.19Å; R197-P220 HydrophobicContact CB-CG 4.17Å; R197-P220 HydrophobicContact CG-CB 4.31Å; R197-P220 HydrophobicContact CG-CG 4.05Å; R197-H222 WeakPolarHBondContact CA-O 3.24Å; R197-D223 HydrophobicContact CG-CB 4.35Å; R197-D223 WeakPolarHBondContact CG-OD2 3.38Å; R197-H240 WeakPolarHBondContact O-CA 3.31Å; R197-Q241 HydrophobicContact CB-CG 4.22Å; R197-Q241 PolarHBondContact N-O 3.11Å; R197-Q241 PolarHBondContact O-N 2.83Å; R197-N243 PolarHBondContact NH2-OD1 2.67Å
198	L	98.8	Very high	98.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.1	176.1	-50.4	-178	0	0	0	109.6	P63 W196 P220 T221 H222 F224 L232 F234 T238 I239 H240	P63-L198 HydrophobicContact CB-CD1 3.62Å; P63-L198 HydrophobicContact CG-CD1 3.79Å; W196-L198 HydrophobicContact CE3-CD2 4.34Å; L198-P220 CarbonylContact O-C 3.58Å; L198-P220 WeakPolarHBondContact O-CA 3.26Å; L198-T221 PolarHBondContact O-N 3.15Å; L198-T221 PolarHBondContact O-OG1 3Å; L198-H222 HydrophobicContact CB-CB 4.19Å; L198-H222 HydrophobicContact CD1-CB 4.28Å; L198-H222 HydrophobicContact CG-CB 4.33Å; L198-H222 PolarHBondContact N-O 3.49Å; L198-H222 PolarHBondContact O-N 2.89Å; L198-F224 HydrophobicContact CD1-CE1 3.98Å; L198-F224 HydrophobicContact CD1-CZ 4.03Å; L198-F224 HydrophobicContact CG-CE1 4.14Å; L198-F224 HydrophobicContact CG-CZ 4.24Å; L198-L232 HydrophobicContact CD1-CD1 4.08Å; L198-L232 HydrophobicContact CD2-CD2 4.48Å; L198-F234 HydrophobicContact CD1-CD1 4.26Å; L198-F234 HydrophobicContact CD2-CD1 4.04Å; L198-F234 HydrophobicContact CD2-CE1 4.01Å; L198-T238 HydrophobicContact CB-CG2 4.41Å; L198-I239 CarbonylContact C-O 3.14Å; L198-I239 WeakPolarHBondContact CA-O 3.48Å; L198-H240 HydrophobicContact CD2-CB 3.49Å; L198-H240 VanDerWaalsContact CD2-CB 3.49Å
199	Y	98.7	Very high	98	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.1	-177.6	-47.9	-109.1	0	0	0	110	R197 I217 G218 P220 I239 Q241	R197-Y199 HydrophobicContact CB-CE2 3.76Å; R197-Y199 WeakPolarHBondContact CB-OH 3.44Å; R197-Y199 WeakPolarHBondContact O-CE2 3.41Å; Y199-I217 HydrophobicContact CD1-CB 4.14Å; Y199-I217 HydrophobicContact CD1-CD1 4Å; Y199-I217 HydrophobicContact CD1-CG1 3.8Å; Y199-I217 WeakPolarHBondContact CD1-O 3.49Å; Y199-I217 HydrophobicContact CD2-CD1 4.18Å; Y199-I217 HydrophobicContact CE1-CD1 3.7Å; Y199-I217 HydrophobicContact CE1-CG1 3.81Å; Y199-I217 HydrophobicContact CE2-CD1 3.95Å; Y199-I217 HydrophobicContact CG-CB 4.3Å; Y199-I217 HydrophobicContact CG-CD1 4.24Å; Y199-I217 HydrophobicContact CG-CG1 4.3Å; Y199-G218 WeakPolarHBondContact CE1-O 3.43Å; Y199-P220 HydrophobicContact CD1-CB 4.4Å; Y199-P220 HydrophobicContact CD1-CG 4.38Å; Y199-P220 HydrophobicContact CE1-CB 4.06Å; Y199-P220 HydrophobicContact CE1-CG 3.62Å; Y199-I239 HydrophobicContact CD2-CB 4.4Å; Y199-I239 HydrophobicContact CD2-CG2 3.89Å; Y199-I239 HydrophobicContact CG-CG2 4.31Å; Y199-I239 PolarHBondContact N-O 2.99Å; Y199-Q241 HydrophobicContact CE2-CG 4.04Å; Y199-Q241 PolarHBondContact OH-NE2 2.9Å
200	S	97.3	Very high	97.9	Very high	76 Å²	76	50 Å²	50	53%	0.531	27%	0.266	S	S	.	.			trans	-61	142.6	173.3	-63.8	0	0	0	0	110.8	T221 I239	S200-T221 WeakPolarHBondContact OG-CG2 3.5Å; S200-I239 WeakPolarHBondContact O-CD1 3.24Å
201	P	97.2	Very high	97.7	Very high	53 Å²	53	53 Å²	53	34%	0.344	28%	0.284	S	S	.	.			trans	-65.7	134.8	178.2	28	-35.9	0	0	0	111.3	V203 P204 G237	P201-V203 VanDerWaalsContact C-N 3.34Å; P201-P204 HydrophobicContact CB-CG 4.42Å; P201-P204 HydrophobicContact CG-CB 4.22Å; P201-P204 HydrophobicContact CG-CG 4.06Å; P201-G237 WeakPolarHBondContact CA-O 3.29Å; P201-G237 WeakPolarHBondContact CB-O 3.33Å
202	T	96.9	Very high	97.6	Very high	66 Å²	66	53.1 Å²	53.1	41%	0.405	29%	0.285	S	S	.	.	S	Bend	trans	-74.3	-31.4	163.8	46	0	0	0	0	111	Y180 E212 I239	Y180-T202 WeakPolarHBondContact CE1-OG1 3.41Å; T202-E212 PolarHBondContact OG1-OE1 3.36Å; T202-I239 HydrophobicContact CG2-CD1 3.77Å
203	V	97.7	Very high	97.3	Very high	66 Å²	66	55 Å²	55	40%	0.4	29%	0.292	S	S	.	.	S	Bend	trans	-127	98.2	172.9	-176.3	0	0	0	0	108.3	P201 L205 A206 G237	P201-V203 VanDerWaalsContact C-N 3.34Å; V203-L205 PolarHBondContact O-N 2.79Å; V203-A206 HydrophobicContact CB-CB 4.06Å; V203-A206 HydrophobicContact CG1-CB 3.87Å; V203-A206 PolarHBondContact O-N 3.49Å; V203-G237 WeakPolarHBondContact O-CA 3.31Å
204	P	98.1	Very high	96.9	Very high	96 Å²	96	56.7 Å²	56.7	62%	0.623	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	134.6	177.3	-23.2	33.2	0	0	0	111.6	P201 A206	P201-P204 HydrophobicContact CB-CG 4.42Å; P201-P204 HydrophobicContact CG-CB 4.22Å; P201-P204 HydrophobicContact CG-CG 4.06Å; P204-A206 PolarHBondContact O-N 3.45Å
205	L	98.3	Very high	96.5	Very high	64 Å²	64	61.2 Å²	61.2	34%	0.335	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.6	-179.2	-59.6	178.8	0	0	0	113.4	E60 V203 R207 P235 R236	E60-L205 HydrophobicContact CB-CD1 4.39Å; E60-L205 HydrophobicContact CB-CD2 3.81Å; E60-L205 HydrophobicContact CG-CD2 4.01Å; V203-L205 PolarHBondContact O-N 2.79Å; L205-R207 PolarHBondContact O-N 2.88Å; L205-P235 HydrophobicContact CD2-CB 4.21Å; L205-R236 WeakPolarHBondContact CA-O 3.45Å; L205-R236 HydrophobicContact CB-CG 4.39Å; L205-R236 HydrophobicContact CD2-CG 4.25Å; L205-R236 PolarHBondContact N-O 2.95Å; L205-R236 PolarHBondContact O-NE 3.48Å
206	A	98	Very high	96.1	Very high	3 Å²	3	68.8 Å²	68.8	3%	0.025	37%	0.365	C	S	.	.			trans	-51.8	136.2	-179.2	0	0	0	0	0	112.5	Y180 V203 P204 R236	Y180-A206 HydrophobicContact CD2-CB 3.66Å; Y180-A206 HydrophobicContact CE2-CB 3.38Å; V203-A206 HydrophobicContact CB-CB 4.06Å; V203-A206 HydrophobicContact CG1-CB 3.87Å; V203-A206 PolarHBondContact O-N 3.49Å; P204-A206 PolarHBondContact O-N 3.45Å; A206-R236 WeakPolarHBondContact O-CD 3.18Å; A206-R236 VanDerWaalsContact O-CG 3.31Å; A206-R236 WeakPolarHBondContact O-CG 3.31Å
207	R	96.9	Very high	95.9	Very high	112 Å²	112	69.2 Å²	69.2	42%	0.423	37%	0.368	S	S	.	.	S	Bend	trans	-93.5	0.3	176.4	-65.9	177.2	51.3	132.9	5.5	113.4	D182 L205 S263 D266	D182-R207 VanDerWaalsContact CB-C 3.5Å; L205-R207 PolarHBondContact O-N 2.88Å; R207-S263 PolarHBondContact NH1-OG 3.17Å; R207-D266 IonicContact CZ-OD1 3.44Å; R207-D266 IonicContact CZ-OD2 2.84Å; R207-D266 IonicContact NH1-OD1 3.68Å; R207-D266 PolarHBondContact NH1-OD1 2.88Å; R207-D266 IonicContact NH1-OD2 3.92Å; R207-D266 PolarHBondContact NH1-OD2 2.56Å; R207-D266 IonicContact NH2-OD1 3.95Å; R207-D266 PolarHBondContact NH2-OD1 2.84Å; R207-D266 IonicContact NH2-OD2 2.74Å
208	E	96.8	Very high	95.7	Very high	149 Å²	149	69.5 Å²	69.5	70%	0.696	39%	0.387	S	S	*	.	S	Bend	trans	-135.1	154.1	-176.3	-64.6	179.7	-172.6	0	0	109.1	Y180	Y180-E208 WeakPolarHBondContact CE2-O 3.25Å
209	Y	96.6	Very high	95.6	Very high	99 Å²	99	75.4 Å²	75.4	39%	0.388	42%	0.423	S	S	.	.			trans	-80.1	142.7	171.6	165.6	-84.7	0	0	0	110.9	H179 Y180 D181 V211	H179-Y209 HydrophobicContact CB-CE2 4.03Å; H179-Y209 AromaticContact CD2-CE2 3.45Å; H179-Y209 VanDerWaalsContact CD2-CE2 3.45Å; H179-Y209 WeakPolarHBondContact CD2-CE2 3.33Å; H179-Y209 AromaticContact CG-CE2 3.97Å; Y180-Y209 WeakPolarHBondContact O-CD2 3.47Å; D181-Y209 WeakPolarHBondContact OD1-CD2 3.32Å; Y209-V211 HydrophobicContact CE1-CG2 3.93Å; Y209-V211 WeakPolarHBondContact OH-CG2 3.41Å
210	S	96.7	Very high	95.6	Very high	36 Å²	36	77.2 Å²	77.2	25%	0.252	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145	171.8	-171.6	0	0	0	0	113.5	H179 Y180	H179-S210 CarbonylContact C-O 3.55Å; H179-S210 WeakPolarHBondContact CA-O 3.06Å; H179-S210 WeakPolarHBondContact CB-O 2.91Å; Y180-S210 PolarHBondContact N-O 3.42Å; Y180-S210 PolarHBondContact O-N 3.39Å; Y180-S210 VanDerWaalsContact O-N 3.12Å; Y180-S210 VanDerWaalsContact OH-CB 3.24Å; Y180-S210 WeakPolarHBondContact OH-CB 3.49Å
211	V	95.4	Very high	95.6	Very high	63 Å²	63	76.8 Å²	76.8	38%	0.382	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.7	168.9	176.2	0	0	0	0	109.2	P177 H179 Y209	P177-V211 HydrophobicContact CB-CG1 4.2Å; P177-V211 HydrophobicContact CG-CG1 3.74Å; P177-V211 HydrophobicContact CG-CG2 4.36Å; H179-V211 HydrophobicContact CB-CG2 4.48Å; Y209-V211 HydrophobicContact CE1-CG2 3.93Å; Y209-V211 WeakPolarHBondContact OH-CG2 3.41Å
212	E	94.9	Very high	95.7	Very high	23 Å²	23	77.8 Å²	77.8	11%	0.107	43%	0.43	C	S	.	.			trans	-111	130.7	-176.7	-73.8	-68.7	165.3	0	0	111.6	P178 Y180 T202 I217 I239	P178-E212 PolarHBondContact O-N 3.1Å; Y180-E212 HydrophobicContact CD1-CG 4Å; Y180-E212 HydrophobicContact CE1-CG 4.03Å; Y180-E212 WeakPolarHBondContact CE1-OE1 3.43Å; T202-E212 PolarHBondContact OG1-OE1 3.36Å; E212-I217 HydrophobicContact CB-CG2 3.55Å; E212-I217 HydrophobicContact CG-CG2 4.45Å; E212-I239 HydrophobicContact CB-CD1 4.28Å; E212-I239 HydrophobicContact CB-CG2 4.47Å; E212-I239 HydrophobicContact CG-CD1 3.82Å; E212-I239 HydrophobicContact CG-CG1 4.12Å
213	P	92.1	Very high	95.8	Very high	65 Å²	65	79.3 Å²	79.3	42%	0.422	44%	0.436	S	S	.	.			trans	-72.4	133.6	177	29.3	-32.3	0	0	0	110.6	A215 R216	P213-A215 PolarHBondContact O-N 3.5Å; P213-R216 HydrophobicContact CG-CB 4.12Å; P213-R216 HydrophobicContact CG-CG 3.9Å; P213-R216 PolarHBondContact O-N 2.89Å
214	E	90.1	Very high	95.8	Very high	107 Å²	107	77.1 Å²	77.1	50%	0.5	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-52.8	-29.5	-178	-73.7	-171.3	154.4	0	0	114.2	P178 R216 I217 Q241	P178-E214 HydrophobicContact CG-CG 3.61Å; E214-R216 PolarHBondContact O-N 3.49Å; E214-I217 HydrophobicContact CG-CD1 4.32Å; E214-Q241 PolarHBondContact OE1-NE2 3.41Å; E214-Q241 PolarHBondContact OE1-OE1 2.88Å
215	A	90.4	Very high	95.8	Very high	102 Å²	102	76.1 Å²	76.1	84%	0.843	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-65.1	-14.9	176.7	0	0	0	0	0	114.4	P213	P213-A215 PolarHBondContact O-N 3.5Å
216	R	90.7	Very high	95.9	Very high	198 Å²	198	73 Å²	73	75%	0.747	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-112.6	-11	-175.3	-65.3	-171.7	-179.3	-175.3	-2	114.8	P213 E214	P213-R216 HydrophobicContact CG-CB 4.12Å; P213-R216 HydrophobicContact CG-CG 3.9Å; P213-R216 PolarHBondContact O-N 2.89Å; E214-R216 PolarHBondContact O-N 3.49Å
217	I	94.2	Very high	95.9	Very high	16 Å²	16	76 Å²	76	8%	0.082	41%	0.406	C	S	.	.	S	Bend	trans	-90.2	-10.4	-172.4	69	-177.8	0	0	0	113.6	P178 Y199 E212 E214 I239	P178-I217 HydrophobicContact CB-CD1 3.75Å; P178-I217 HydrophobicContact CG-CD1 3.84Å; Y199-I217 HydrophobicContact CD1-CB 4.14Å; Y199-I217 HydrophobicContact CD1-CD1 4Å; Y199-I217 HydrophobicContact CD1-CG1 3.8Å; Y199-I217 WeakPolarHBondContact CD1-O 3.49Å; Y199-I217 HydrophobicContact CD2-CD1 4.18Å; Y199-I217 HydrophobicContact CE1-CD1 3.7Å; Y199-I217 HydrophobicContact CE1-CG1 3.81Å; Y199-I217 HydrophobicContact CE2-CD1 3.95Å; Y199-I217 HydrophobicContact CG-CB 4.3Å; Y199-I217 HydrophobicContact CG-CD1 4.24Å; Y199-I217 HydrophobicContact CG-CG1 4.3Å; E212-I217 HydrophobicContact CB-CG2 3.55Å; E212-I217 HydrophobicContact CG-CG2 4.45Å; E214-I217 HydrophobicContact CG-CD1 4.32Å; I217-I239 HydrophobicContact CB-CD1 4.35Å; I217-I239 HydrophobicContact CB-CG2 4.32Å; I217-I239 HydrophobicContact CD1-CG2 4.45Å; I217-I239 HydrophobicContact CG2-CD1 3.89Å; I217-I239 HydrophobicContact CG2-CG2 4.01Å
218	G	94.3	Very high	95.9	Very high	57 Å²	57	72.9 Å²	72.9	59%	0.588	40%	0.4	S	S	*	.			trans	70.9	-154.2	177.7	0	0	0	0	0	113.8	Y199	Y199-G218 WeakPolarHBondContact CE1-O 3.43Å
219	T	96.7	Very high	96	Very high	123 Å²	123	65.8 Å²	65.8	76%	0.755	37%	0.367	S	S	*	.	S	Bend	trans	-83.7	144.2	177.7	52.5	0	0	0	0	111.1	T221	T219-T221 PolarHBondContact O-N 3.35Å
220	P	98.3	Very high	96.1	Very high	47 Å²	47	61.1 Å²	61.1	31%	0.305	35%	0.349	S	S	.	.			trans	-56.7	134.4	174.4	-19	28.4	0	0	0	111.2	R197 L198 Y199 H222 D223	R197-P220 HydrophobicContact CB-CB 4.19Å; R197-P220 HydrophobicContact CB-CG 4.17Å; R197-P220 HydrophobicContact CG-CB 4.31Å; R197-P220 HydrophobicContact CG-CG 4.05Å; L198-P220 CarbonylContact O-C 3.58Å; L198-P220 WeakPolarHBondContact O-CA 3.26Å; Y199-P220 HydrophobicContact CD1-CB 4.4Å; Y199-P220 HydrophobicContact CD1-CG 4.38Å; Y199-P220 HydrophobicContact CE1-CB 4.06Å; Y199-P220 HydrophobicContact CE1-CG 3.62Å; P220-H222 VanDerWaalsContact C-N 3.3Å; P220-H222 WeakPolarHBondContact CB-O 3.38Å; P220-D223 HydrophobicContact CB-CB 4.46Å
221	T	98.1	Very high	96.2	Very high	68 Å²	68	59.4 Å²	59.4	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-74.6	-29	168.2	57.4	0	0	0	0	110.9	L198 S200 T219	L198-T221 PolarHBondContact O-N 3.15Å; L198-T221 PolarHBondContact O-OG1 3Å; S200-T221 WeakPolarHBondContact OG-CG2 3.5Å; T219-T221 PolarHBondContact O-N 3.35Å
222	H	98.5	Very high	96.4	Very high	74 Å²	74	56.4 Å²	56.4	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.8	176.3	-55.1	73.2	0	0	0	109.6	R197 L198 P220 F224	R197-H222 WeakPolarHBondContact CA-O 3.24Å; L198-H222 HydrophobicContact CB-CB 4.19Å; L198-H222 HydrophobicContact CD1-CB 4.28Å; L198-H222 HydrophobicContact CG-CB 4.33Å; L198-H222 PolarHBondContact N-O 3.49Å; L198-H222 PolarHBondContact O-N 2.89Å; P220-H222 VanDerWaalsContact C-N 3.3Å; P220-H222 WeakPolarHBondContact CB-O 3.38Å; H222-F224 HydrophobicContact CB-CD1 3.83Å; H222-F224 HydrophobicContact CB-CE1 3.58Å
223	D	98.6	Very high	96.6	Very high	97 Å²	97	55.3 Å²	55.3	52%	0.519	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	112.3	179	-172.1	-43.8	0	0	0	108	H195 W196 R197 P220	H195-D223 IonicContact CD2-OD1 3.35Å; H195-D223 PolarHBondContact CD2-OD1 3.31Å; H195-D223 IonicContact CE1-OD1 3.78Å; H195-D223 IonicContact CE1-OD2 3Å; H195-D223 IonicContact NE2-OD1 3.92Å; H195-D223 PolarHBondContact NE2-OD1 3.35Å; H195-D223 IonicContact NE2-OD2 2.76Å; H195-D223 PolarHBondContact NE2-OD2 3Å; W196-D223 WeakPolarHBondContact O-CA 3.44Å; R197-D223 HydrophobicContact CG-CB 4.35Å; R197-D223 WeakPolarHBondContact CG-OD2 3.38Å; P220-D223 HydrophobicContact CB-CB 4.46Å
224	F	98.6	Very high	96.9	Very high	20 Å²	20	52.4 Å²	52.4	9%	0.088	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	166.5	-171.2	54.2	-94.8	0	0	0	112.8	L65 H195 W196 L198 H222 L226 L232	L65-F224 HydrophobicContact CD1-CD2 3.83Å; L65-F224 HydrophobicContact CD1-CE2 3.74Å; L65-F224 HydrophobicContact CD1-CG 4.43Å; L65-F224 HydrophobicContact CD1-CZ 4.25Å; L65-F224 HydrophobicContact CD2-CB 3.98Å; L65-F224 HydrophobicContact CD2-CD1 3.86Å; L65-F224 HydrophobicContact CD2-CD2 3.89Å; L65-F224 HydrophobicContact CD2-CE1 4.31Å; L65-F224 HydrophobicContact CD2-CE2 4.35Å; L65-F224 HydrophobicContact CD2-CG 3.63Å; H195-F224 PolarHBondContact CD2-O 2.93Å; W196-F224 HydrophobicContact CB-CD2 4.07Å; W196-F224 HydrophobicContact CB-CE2 3.59Å; W196-F224 HydrophobicContact CB-CZ 3.89Å; W196-F224 HydrophobicContact CG-CE2 4.15Å; W196-F224 PolarHBondContact N-O 2.78Å; W196-F224 PolarHBondContact O-N 2.63Å; W196-F224 VanDerWaalsContact O-N 3.08Å; L198-F224 HydrophobicContact CD1-CE1 3.98Å; L198-F224 HydrophobicContact CD1-CZ 4.03Å; L198-F224 HydrophobicContact CG-CE1 4.14Å; L198-F224 HydrophobicContact CG-CZ 4.24Å; H222-F224 HydrophobicContact CB-CD1 3.83Å; H222-F224 HydrophobicContact CB-CE1 3.58Å; F224-L226 HydrophobicContact CD2-CD2 3.91Å; F224-L226 HydrophobicContact CD2-CG 4.21Å; F224-L226 HydrophobicContact CE2-CD2 3.73Å; F224-L226 HydrophobicContact CE2-CG 3.94Å; F224-L232 HydrophobicContact CE2-CD1 4.3Å; F224-L232 HydrophobicContact CE2-CD2 3.91Å; F224-L232 HydrophobicContact CZ-CD1 3.68Å; F224-L232 HydrophobicContact CZ-CD2 3.66Å; F224-L232 HydrophobicContact CZ-CG 4.27Å
225	I	98.6	Very high	97.3	Very high	75 Å²	75	47.7 Å²	47.7	39%	0.385	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.7	173.4	-63.5	175.6	0	0	0	108.9	Q67 E193 K194 H195	Q67-I225 PolarHBondContact NE2-O 2.84Å; Q67-I225 VanDerWaalsContact NE2-O 3.09Å; E193-I225 HydrophobicContact CB-CG2 3.74Å; E193-I225 HydrophobicContact CG-CG2 4.35Å; K194-I225 WeakPolarHBondContact O-CA 3.36Å; H195-I225 HydrophobicContact CB-CG1 4.43Å
226	L	98.7	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.8	166.6	-64.1	-174	0	0	0	110	L65 I187 Q189 E193 K194 W196 F224 D230 L232	L65-L226 HydrophobicContact CD1-CD2 3.42Å; L65-L226 VanDerWaalsContact CD1-CD2 3.42Å; I187-L226 HydrophobicContact CG2-CD1 4.21Å; Q189-L226 HydrophobicContact CB-CB 3.98Å; Q189-L226 HydrophobicContact CG-CB 4Å; E193-L226 CarbonylContact C-O 3.53Å; E193-L226 WeakPolarHBondContact CA-O 3.48Å; K194-L226 PolarHBondContact N-O 2.6Å; K194-L226 PolarHBondContact O-N 2.85Å; W196-L226 HydrophobicContact CG-CD1 4.47Å; F224-L226 HydrophobicContact CD2-CD2 3.91Å; F224-L226 HydrophobicContact CD2-CG 4.21Å; F224-L226 HydrophobicContact CE2-CD2 3.73Å; F224-L226 HydrophobicContact CE2-CG 3.94Å; L226-D230 HydrophobicContact CB-CB 4.49Å; L226-D230 HydrophobicContact CD2-CB 3.91Å; L226-L232 HydrophobicContact CD1-CB 3.98Å; L226-L232 HydrophobicContact CD1-CD2 4.3Å; L226-L232 HydrophobicContact CD2-CB 4.41Å
227	K	98.4	Very high	98.1	Very high	66 Å²	66	34.4 Å²	34.4	29%	0.287	20%	0.201	S	C	.	.			trans	-121.9	166.7	172.2	60.8	171.6	-177.8	174.1	0	110.6	R68 N69 Q189 E193 G229 D230	R68-K227 WeakPolarHBondContact O-CE 3.2Å; R68-K227 PolarHBondContact O-NZ 2.94Å; N69-K227 PolarHBondContact OD1-NZ 2.79Å; N69-K227 VanDerWaalsContact OD1-NZ 3.16Å; Q189-K227 WeakPolarHBondContact CB-O 3.41Å; Q189-K227 VanDerWaalsContact CG-C 3.41Å; Q189-K227 WeakPolarHBondContact CG-O 3.47Å; E193-K227 HydrophobicContact CG-CB 4.21Å; K227-G229 PolarHBondContact O-N 2.97Å; K227-D230 WeakPolarHBondContact CG-OD2 3.39Å; K227-D230 PolarHBondContact N-OD2 3.09Å; K227-D230 VanDerWaalsContact O-CB 3.29Å; K227-D230 WeakPolarHBondContact O-CB 3.38Å; K227-D230 VanDerWaalsContact O-CG 3.25Å; K227-D230 PolarHBondContact O-N 3.16Å; K227-D230 VanDerWaalsContact O-N 3.09Å
228	P	98.3	Very high	98.3	Very high	45 Å²	45	34.1 Å²	34.1	29%	0.292	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132.4	-174	-27.7	38.4	0	0	0	113.1	A74 Q189 G192	A74-P228 HydrophobicContact CB-CB 4.14Å; A74-P228 WeakPolarHBondContact CB-O 3.1Å; Q189-P228 WeakPolarHBondContact O-CA 3.17Å; G192-P228 VanDerWaalsContact O-CD 3.3Å; G192-P228 WeakPolarHBondContact O-CD 3.2Å
229	G	98.1	Very high	98.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-14.3	-176.3	0	0	0	0	0	115	R68 Y77 Q189 K227	R68-G229 WeakPolarHBondContact CD-O 3.23Å; R68-G229 PolarHBondContact NH1-O 3.06Å; Y77-G229 VanDerWaalsContact CD2-CA 3.48Å; Y77-G229 WeakPolarHBondContact CE2-O 3.43Å; Q189-G229 PolarHBondContact O-N 3.04Å; K227-G229 PolarHBondContact O-N 2.97Å
230	D	98.8	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-71.8	150.5	174.8	-64.5	-14.4	0	0	0	111.6	I66 Q67 R68 Q189 L226 K227	I66-D230 WeakPolarHBondContact O-CA 3.47Å; Q67-D230 WeakPolarHBondContact CA-OD1 3.35Å; R68-D230 PolarHBondContact N-OD1 3.11Å; Q189-D230 PolarHBondContact N-O 2.97Å; Q189-D230 VanDerWaalsContact N-O 3.14Å; L226-D230 HydrophobicContact CB-CB 4.49Å; L226-D230 HydrophobicContact CD2-CB 3.91Å; K227-D230 WeakPolarHBondContact CG-OD2 3.39Å; K227-D230 PolarHBondContact N-OD2 3.09Å; K227-D230 VanDerWaalsContact O-CB 3.29Å; K227-D230 WeakPolarHBondContact O-CB 3.38Å; K227-D230 VanDerWaalsContact O-CG 3.25Å; K227-D230 PolarHBondContact O-N 3.16Å; K227-D230 VanDerWaalsContact O-N 3.09Å
231	L	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.8	173.2	-177.3	150.3	0	0	0	110.5	L45 I66 F186 I187 L188	L45-L231 HydrophobicContact CD1-CD1 3.83Å; L45-L231 HydrophobicContact CG-CD1 3.83Å; L45-L231 WeakPolarHBondContact O-CD1 3.35Å; I66-L231 HydrophobicContact CB-CB 4.4Å; I66-L231 HydrophobicContact CD1-CD2 4.11Å; I66-L231 HydrophobicContact CG1-CD2 4.42Å; I66-L231 PolarHBondContact N-O 3.19Å; I66-L231 PolarHBondContact O-N 3.44Å; F186-L231 HydrophobicContact CD1-CD2 4.4Å; I187-L231 CarbonylContact O-C 3.57Å; I187-L231 WeakPolarHBondContact O-CA 3.47Å; L188-L231 HydrophobicContact CD1-CD1 4.04Å; L188-L231 HydrophobicContact CD1-CG 4.45Å; L188-L231 HydrophobicContact CG-CD1 4.5Å
232	L	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	171.2	169.9	65.3	0	0	0	109.7	L64 F186 I187 W196 L198 F224 L226 F234	L64-L232 WeakPolarHBondContact O-CA 3.21Å; F186-L232 CarbonylContact C-O 3.5Å; I187-L232 HydrophobicContact CB-CB 4.2Å; I187-L232 HydrophobicContact CD1-CD2 4.27Å; I187-L232 PolarHBondContact N-O 3.43Å; I187-L232 PolarHBondContact O-N 2.98Å; W196-L232 HydrophobicContact CD2-CD2 4.19Å; W196-L232 HydrophobicContact CE3-CD2 4.14Å; W196-L232 HydrophobicContact CG-CD2 4.49Å; L198-L232 HydrophobicContact CD1-CD1 4.08Å; L198-L232 HydrophobicContact CD2-CD2 4.48Å; F224-L232 HydrophobicContact CE2-CD1 4.3Å; F224-L232 HydrophobicContact CE2-CD2 3.91Å; F224-L232 HydrophobicContact CZ-CD1 3.68Å; F224-L232 HydrophobicContact CZ-CD2 3.66Å; F224-L232 HydrophobicContact CZ-CG 4.27Å; L226-L232 HydrophobicContact CD1-CB 3.98Å; L226-L232 HydrophobicContact CD1-CD2 4.3Å; L226-L232 HydrophobicContact CD2-CB 4.41Å; L232-F234 HydrophobicContact CD1-CD1 4.27Å; L232-F234 HydrophobicContact CD2-CD1 3.95Å; L232-F234 HydrophobicContact CD2-CE1 3.8Å; L232-F234 HydrophobicContact CG-CD1 3.89Å; L232-F234 HydrophobicContact CG-CE1 4.16Å
233	Y	98.9	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.8	168	161.4	-92.6	0	0	0	110.2	F54 F58 W59 E60 P63 L64 E184 V185 F186	F54-Y233 AromaticContact CE2-CD1 3.62Å; F54-Y233 HydrophobicContact CE2-CD1 3.62Å; F54-Y233 HydrophobicContact CE2-CD2 4.17Å; F54-Y233 HydrophobicContact CE2-CE1 4.01Å; F54-Y233 AromaticContact CE2-CG 3.72Å; F54-Y233 HydrophobicContact CE2-CG 3.72Å; F54-Y233 AromaticContact CZ-CD1 3.95Å; F54-Y233 HydrophobicContact CZ-CD1 3.95Å; F54-Y233 AromaticContact CZ-CD2 3.85Å; F54-Y233 HydrophobicContact CZ-CD2 3.85Å; F54-Y233 AromaticContact CZ-CE1 3.99Å; F54-Y233 HydrophobicContact CZ-CE1 3.99Å; F54-Y233 AromaticContact CZ-CE2 3.91Å; F54-Y233 HydrophobicContact CZ-CE2 3.91Å; F54-Y233 AromaticContact CZ-CG 3.89Å; F54-Y233 HydrophobicContact CZ-CG 3.89Å; F54-Y233 AromaticContact CZ-CZ 3.99Å; F58-Y233 HydrophobicContact CB-CD1 4.45Å; F58-Y233 HydrophobicContact CB-CE1 4.3Å; W59-Y233 WeakPolarHBondContact CA-OH 3.36Å; W59-Y233 AromaticContact CE3-CE2 3.72Å; W59-Y233 HydrophobicContact CE3-CE2 3.72Å; W59-Y233 AromaticContact CE3-CZ 3.75Å; W59-Y233 AromaticContact CZ3-CE2 3.81Å; W59-Y233 HydrophobicContact CZ3-CE2 3.81Å; E60-Y233 PolarHBondContact N-OH 3.45Å; P63-Y233 CarbonylContact C-O 3.58Å; P63-Y233 VanDerWaalsContact CA-O 3.27Å; P63-Y233 WeakPolarHBondContact CA-O 3.44Å; L64-Y233 HydrophobicContact CB-CD1 4.08Å; L64-Y233 PolarHBondContact N-O 3.13Å; L64-Y233 PolarHBondContact O-N 2.95Å; E184-Y233 HydrophobicContact CB-CE2 4.42Å; E184-Y233 PolarHBondContact OE2-OH 3.39Å; V185-Y233 VanDerWaalsContact O-CA 3.32Å; V185-Y233 WeakPolarHBondContact O-CA 3.34Å; V185-Y233 WeakPolarHBondContact O-CD2 3.43Å; F186-Y233 AromaticContact CD1-CD2 3.98Å; F186-Y233 HydrophobicContact CD1-CD2 3.98Å; F186-Y233 HydrophobicContact CD1-CG 4.37Å; F186-Y233 HydrophobicContact CD2-CD2 4.46Å; F186-Y233 AromaticContact CE1-CD2 3.61Å; F186-Y233 HydrophobicContact CE1-CD2 3.61Å; F186-Y233 HydrophobicContact CE1-CE2 4.47Å; F186-Y233 HydrophobicContact CE1-CG 4.07Å; F186-Y233 HydrophobicContact CE2-CD2 4.13Å; F186-Y233 HydrophobicContact CE2-CE2 4.48Å; F186-Y233 HydrophobicContact CG-CD2 4.39Å; F186-Y233 AromaticContact CZ-CD2 3.69Å; F186-Y233 HydrophobicContact CZ-CD2 3.69Å; F186-Y233 HydrophobicContact CZ-CE2 4.14Å
234	F	98.9	Very high	98.6	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.018	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152.4	163.1	52.1	-102.7	0	0	0	111.3	P63 V185 I187 W196 L198 L232 T238 H240	P63-F234 HydrophobicContact CB-CB 4.05Å; P63-F234 HydrophobicContact CG-CB 4.03Å; V185-F234 HydrophobicContact CG2-CD1 4.19Å; V185-F234 HydrophobicContact CG2-CD2 3.46Å; V185-F234 VanDerWaalsContact CG2-CD2 3.46Å; V185-F234 HydrophobicContact CG2-CE1 3.96Å; V185-F234 HydrophobicContact CG2-CE2 3.19Å; V185-F234 HydrophobicContact CG2-CG 3.97Å; V185-F234 HydrophobicContact CG2-CZ 3.47Å; V185-F234 VanDerWaalsContact CG2-CZ 3.47Å; V185-F234 PolarHBondContact N-O 3.43Å; V185-F234 PolarHBondContact O-N 2.97Å; I187-F234 HydrophobicContact CD1-CE1 3.64Å; I187-F234 HydrophobicContact CD1-CZ 3.9Å; W196-F234 HydrophobicContact CZ3-CE1 4.33Å; W196-F234 HydrophobicContact CZ3-CZ 4.48Å; L198-F234 HydrophobicContact CD1-CD1 4.26Å; L198-F234 HydrophobicContact CD2-CD1 4.04Å; L198-F234 HydrophobicContact CD2-CE1 4.01Å; L232-F234 HydrophobicContact CD1-CD1 4.27Å; L232-F234 HydrophobicContact CD2-CD1 3.95Å; L232-F234 HydrophobicContact CD2-CE1 3.8Å; L232-F234 HydrophobicContact CG-CD1 3.89Å; L232-F234 HydrophobicContact CG-CE1 4.16Å; F234-T238 HydrophobicContact CB-CG2 4Å; F234-T238 HydrophobicContact CD2-CG2 4.15Å; F234-T238 HydrophobicContact CG-CG2 4.13Å; F234-H240 AromaticContact CE2-CE1 3.8Å; F234-H240 AromaticContact CE2-ND1 3.49Å; F234-H240 WeakPolarHBondContact CE2-ND1 3.48Å; F234-H240 HydrophobicContact CZ-CB 4.2Å; F234-H240 AromaticContact CZ-CE1 3.8Å; F234-H240 AromaticContact CZ-CG 3.66Å; F234-H240 AromaticContact CZ-ND1 3.53Å
235	P	98.8	Very high	98.5	Very high	8 Å²	8	15.3 Å²	15.3	5%	0.052	8%	0.083	C	C	.	.			trans	-78.1	159.2	-179.3	32.2	-36.6	0	0	0	112.9	E184 L205 T238	E184-P235 VanDerWaalsContact OE2-CA 3.3Å; E184-P235 WeakPolarHBondContact OE2-CA 3.49Å; E184-P235 WeakPolarHBondContact OE2-CB 3.27Å; L205-P235 HydrophobicContact CD2-CB 4.21Å; P235-T238 WeakPolarHBondContact CD-OG1 3.32Å; P235-T238 WeakPolarHBondContact O-CB 3.43Å; P235-T238 PolarHBondContact O-N 3.33Å; P235-T238 VanDerWaalsContact O-N 3.1Å; P235-T238 PolarHBondContact O-OG1 3.46Å
236	R	98.7	Very high	98.2	Very high	22 Å²	22	16.7 Å²	16.7	8%	0.083	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	146.1	174.3	73.2	-169.4	172.9	-87.2	5.6	111.5	E60 D181 V183 E184 L205 A206 T238	E60-R236 IonicContact OE1-CZ 2.68Å; E60-R236 VanDerWaalsContact OE1-CZ 3.22Å; E60-R236 IonicContact OE1-NH1 2.66Å; E60-R236 PolarHBondContact OE1-NH1 2.92Å; E60-R236 IonicContact OE1-NH2 3.9Å; E60-R236 PolarHBondContact OE1-NH2 3.21Å; D181-R236 WeakPolarHBondContact O-CB 3.45Å; V183-R236 WeakPolarHBondContact O-CA 3.21Å; V183-R236 WeakPolarHBondContact O-CB 3.3Å; E184-R236 WeakPolarHBondContact OE1-CG 3.42Å; E184-R236 IonicContact OE1-CZ 3.42Å; E184-R236 PolarHBondContact OE1-N 2.86Å; E184-R236 IonicContact OE1-NH1 3.02Å; E184-R236 PolarHBondContact OE1-NH1 3.16Å; L205-R236 WeakPolarHBondContact CA-O 3.45Å; L205-R236 HydrophobicContact CB-CG 4.39Å; L205-R236 HydrophobicContact CD2-CG 4.25Å; L205-R236 PolarHBondContact N-O 2.95Å; L205-R236 PolarHBondContact O-NE 3.48Å; A206-R236 WeakPolarHBondContact O-CD 3.18Å; A206-R236 VanDerWaalsContact O-CG 3.31Å; A206-R236 WeakPolarHBondContact O-CG 3.31Å; R236-T238 VanDerWaalsContact C-N 3.27Å; R236-T238 PolarHBondContact O-N 3.17Å
237	G	98.5	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-15.7	-170	0	0	0	0	0	115.1	Y180 D181 P201 V203 I239	Y180-G237 VanDerWaalsContact CB-C 3.47Å; Y180-G237 WeakPolarHBondContact CB-O 3.47Å; D181-G237 PolarHBondContact O-N 3.15Å; P201-G237 WeakPolarHBondContact CA-O 3.29Å; P201-G237 WeakPolarHBondContact CB-O 3.33Å; V203-G237 WeakPolarHBondContact O-CA 3.31Å; G237-I239 PolarHBondContact O-N 3.4Å; G237-I239 VanDerWaalsContact O-N 3.12Å
238	T	98.8	Very high	96.8	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.055	14%	0.143	C	C	.	.			trans	-64.9	114.6	173.7	-56.5	0	0	0	0	110.1	P63 L198 F234 P235 R236 H240	P63-T238 HydrophobicContact CG-CG2 4.2Å; L198-T238 HydrophobicContact CB-CG2 4.41Å; F234-T238 HydrophobicContact CB-CG2 4Å; F234-T238 HydrophobicContact CD2-CG2 4.15Å; F234-T238 HydrophobicContact CG-CG2 4.13Å; P235-T238 WeakPolarHBondContact CD-OG1 3.32Å; P235-T238 WeakPolarHBondContact O-CB 3.43Å; P235-T238 PolarHBondContact O-N 3.33Å; P235-T238 VanDerWaalsContact O-N 3.1Å; P235-T238 PolarHBondContact O-OG1 3.46Å; R236-T238 VanDerWaalsContact C-N 3.27Å; R236-T238 PolarHBondContact O-N 3.17Å; T238-H240 PolarHBondContact O-N 3.03Å; T238-H240 PolarHBondContact O-ND1 3.41Å; T238-H240 VanDerWaalsContact O-ND1 3.12Å
239	I	98.8	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.5	177.2	-62.5	169.8	0	0	0	108.7	P178 H179 Y180 L198 Y199 S200 T202 E212 I217 G237	P178-I239 HydrophobicContact CB-CG2 4.23Å; H179-I239 CarbonylContact O-C 3.59Å; H179-I239 VanDerWaalsContact O-CA 3.3Å; H179-I239 WeakPolarHBondContact O-CA 3.35Å; Y180-I239 HydrophobicContact CD1-CG1 3.91Å; L198-I239 CarbonylContact C-O 3.14Å; L198-I239 WeakPolarHBondContact CA-O 3.48Å; Y199-I239 HydrophobicContact CD2-CB 4.4Å; Y199-I239 HydrophobicContact CD2-CG2 3.89Å; Y199-I239 HydrophobicContact CG-CG2 4.31Å; Y199-I239 PolarHBondContact N-O 2.99Å; S200-I239 WeakPolarHBondContact O-CD1 3.24Å; T202-I239 HydrophobicContact CG2-CD1 3.77Å; E212-I239 HydrophobicContact CB-CD1 4.28Å; E212-I239 HydrophobicContact CB-CG2 4.47Å; E212-I239 HydrophobicContact CG-CD1 3.82Å; E212-I239 HydrophobicContact CG-CG1 4.12Å; I217-I239 HydrophobicContact CB-CD1 4.35Å; I217-I239 HydrophobicContact CB-CG2 4.32Å; I217-I239 HydrophobicContact CD1-CG2 4.45Å; I217-I239 HydrophobicContact CG2-CD1 3.89Å; I217-I239 HydrophobicContact CG2-CG2 4.01Å; G237-I239 PolarHBondContact O-N 3.4Å; G237-I239 VanDerWaalsContact O-N 3.12Å
240	H	98.8	Very high	96	Very high	11 Å²	11	24 Å²	24	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	154.4	-179.9	62.2	-84.9	0	0	0	112.6	P178 H179 D181 W196 R197 L198 F234 T238	P178-H240 WeakPolarHBondContact CA-O 3.26Å; H179-H240 AromaticContact CD2-CE1 3.84Å; H179-H240 AromaticContact CD2-NE2 3.82Å; H179-H240 AromaticContact CE1-NE2 3.53Å; H179-H240 PolarHBondContact N-O 3.14Å; H179-H240 AromaticContact NE2-CE1 3.74Å; H179-H240 AromaticContact NE2-NE2 3.25Å; H179-H240 PolarHBondContact NE2-NE2 2.95Å; H179-H240 PolarHBondContact O-N 3.47Å; H179-H240 PolarHBondContact O-ND1 3.5Å; D181-H240 IonicContact OD2-CE1 2.67Å; D181-H240 PolarHBondContact OD2-CE1 3.47Å; D181-H240 IonicContact OD2-NE2 2.83Å; W196-H240 HydrophobicContact CZ3-CB 4.33Å; W196-H240 AromaticContact CZ3-CD2 3.62Å; R197-H240 WeakPolarHBondContact O-CA 3.31Å; L198-H240 HydrophobicContact CD2-CB 3.49Å; L198-H240 VanDerWaalsContact CD2-CB 3.49Å; F234-H240 AromaticContact CE2-CE1 3.8Å; F234-H240 AromaticContact CE2-ND1 3.49Å; F234-H240 WeakPolarHBondContact CE2-ND1 3.48Å; F234-H240 HydrophobicContact CZ-CB 4.2Å; F234-H240 AromaticContact CZ-CE1 3.8Å; F234-H240 AromaticContact CZ-CG 3.66Å; F234-H240 AromaticContact CZ-ND1 3.53Å; T238-H240 PolarHBondContact O-N 3.03Å; T238-H240 PolarHBondContact O-ND1 3.41Å; T238-H240 VanDerWaalsContact O-ND1 3.12Å
241	Q	98.1	Very high	96	Very high	2 Å²	2	24 Å²	24	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153.8	166	56.6	170.6	-37.8	0	0	110.9	P178 R197 Y199 E214	P178-Q241 HydrophobicContact CB-CB 4.38Å; P178-Q241 HydrophobicContact CG-CB 4.26Å; P178-Q241 HydrophobicContact CG-CG 4.27Å; R197-Q241 HydrophobicContact CB-CG 4.22Å; R197-Q241 PolarHBondContact N-O 3.11Å; R197-Q241 PolarHBondContact O-N 2.83Å; Y199-Q241 HydrophobicContact CE2-CG 4.04Å; Y199-Q241 PolarHBondContact OH-NE2 2.9Å; E214-Q241 PolarHBondContact OE1-NE2 3.41Å; E214-Q241 PolarHBondContact OE1-OE1 2.88Å
242	A	98.3	Very high	96	Very high	12 Å²	12	24 Å²	24	10%	0.099	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141	-179.5	0	0	0	0	0	113.4	Q174 K194 H195 W196	Q174-A242 WeakPolarHBondContact CG-O 3.29Å; K194-A242 HydrophobicContact CD-CB 3.92Å; K194-A242 HydrophobicContact CG-CB 4.1Å; H195-A242 CarbonylContact O-C 3.6Å; H195-A242 WeakPolarHBondContact O-CA 3.46Å; H195-A242 WeakPolarHBondContact O-CB 3.21Å; W196-A242 HydrophobicContact CD2-CB 3.54Å; W196-A242 HydrophobicContact CE3-CB 3.82Å; W196-A242 HydrophobicContact CG-CB 4Å; W196-A242 HydrophobicContact CH2-CB 4.12Å; W196-A242 HydrophobicContact CZ2-CB 3.9Å; W196-A242 HydrophobicContact CZ3-CB 4.11Å
243	N	97.8	Very high	96	Very high	35 Å²	35	24.3 Å²	24.3	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.5	175.7	56.7	-90.1	0	0	0	111	S173 Q174 H195 R197 P245	S173-N243 WeakPolarHBondContact O-CA 3.35Å; Q174-N243 HydrophobicContact CB-CB 4.02Å; Q174-N243 HydrophobicContact CG-CB 4.48Å; H195-N243 PolarHBondContact N-O 2.79Å; H195-N243 PolarHBondContact ND1-OD1 3.25Å; H195-N243 PolarHBondContact O-N 3.3Å; R197-N243 PolarHBondContact NH2-OD1 2.67Å; N243-P245 WeakPolarHBondContact O-CD 3.33Å
244	T	98.4	Very high	96	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.5	173.2	-53.5	0	0	0	0	108.5	T169 P170 A171 G172 S173	T169-T244 WeakPolarHBondContact CB-OG1 3.42Å; T169-T244 WeakPolarHBondContact CG2-OG1 3.41Å; T169-T244 PolarHBondContact O-OG1 2.9Å; T169-T244 VanDerWaalsContact O-OG1 3.05Å; P170-T244 WeakPolarHBondContact O-CB 3.41Å; A171-T244 HydrophobicContact CB-CG2 4.47Å; G172-T244 WeakPolarHBondContact CA-O 3.44Å; G172-T244 PolarHBondContact N-O 3.02Å; S173-T244 PolarHBondContact N-O 3.45Å; S173-T244 PolarHBondContact O-N 3.28Å
245	P	96.8	Very high	96	Very high	31 Å²	31	24.8 Å²	24.8	20%	0.201	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56	157.4	175.5	-25.5	35.3	0	0	0	113.3	G172 E193 H195 N243 L248	G172-P245 PolarHBondContact N-O 3.19Å; G172-P245 VanDerWaalsContact N-O 3.16Å; E193-P245 WeakPolarHBondContact O-CD 3.37Å; H195-P245 HydrophobicContact CB-CG 4.42Å; N243-P245 WeakPolarHBondContact O-CD 3.33Å; P245-L248 HydrophobicContact CB-CD1 4.46Å
246	S	92.9	Very high	96	Very high	103 Å²	103	24.5 Å²	24.5	72%	0.72	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	152.8	170.5	-63.8	0	0	0	0	110.7
247	G	84.9	Confident	96	Very high	83 Å²	83	24.4 Å²	24.4	86%	0.856	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.1	-9.5	175.1	0	0	0	0	0	115.8
248	L	81.6	Confident	96.1	Very high	68 Å²	68	24.5 Å²	24.5	36%	0.356	17%	0.173	S	C	.	.	S	Bend	trans	-94.5	176.3	169.4	-62.2	170.4	0	0	0	111	A171 E193 P245	A171-L248 WeakPolarHBondContact CB-O 3.47Å; E193-L248 HydrophobicContact CB-CD1 3.59Å; E193-L248 HydrophobicContact CG-CD1 3.94Å; P245-L248 HydrophobicContact CB-CD1 4.46Å
249	A	84.1	Confident	96.1	Very high	79 Å²	79	26.6 Å²	26.6	65%	0.653	18%	0.18	S	C	*	.	S	Bend	trans	-78.8	-60	173.2	0	0	0	0	0	111.6	A171	A171-A249 PolarHBondContact N-O 2.82Å
250	H	97.4	Very high	96	Very high	37 Å²	37	31.1 Å²	31.1	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	175.4	179.8	62.6	-79	0	0	0	110.5	F128 T169 E191 G192 T252	F128-H250 HydrophobicContact CE1-CB 4.24Å; F128-H250 HydrophobicContact CZ-CB 3.66Å; T169-H250 WeakPolarHBondContact O-CA 3.3Å; E191-H250 IonicContact OE2-CD2 3.61Å; E191-H250 IonicContact OE2-CE1 2.84Å; E191-H250 IonicContact OE2-NE2 3.89Å; E191-H250 PolarHBondContact OE2-NE2 2.94Å; G192-H250 WeakPolarHBondContact CA-O 3.46Å; H250-T252 PolarHBondContact CD2-OG1 2.69Å
251	S	98.6	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139	164.5	169.2	0	0	0	0	110.6	M168 T169 Q189 E191 E193	M168-S251 CarbonylContact C-O 3.59Å; M168-S251 WeakPolarHBondContact CA-O 3.36Å; T169-S251 PolarHBondContact N-O 3.38Å; T169-S251 PolarHBondContact O-N 3.39Å; Q189-S251 PolarHBondContact NE2-OG 3.02Å; E191-S251 CarbonylContact O-C 3.6Å; E191-S251 VanDerWaalsContact O-CA 3.27Å; E191-S251 WeakPolarHBondContact O-CA 3.36Å; E193-S251 WeakPolarHBondContact O-CB 3.41Å
252	T	98.8	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.5	168.6	-54.1	0	0	0	0	109	V166 Y167 M168 L190 E191 H250	V166-T252 HydrophobicContact CG1-CG2 3.84Å; Y167-T252 WeakPolarHBondContact O-CA 3.36Å; M168-T252 HydrophobicContact CG-CG2 3.78Å; L190-T252 WeakPolarHBondContact CA-O 3.25Å; L190-T252 HydrophobicContact CB-CG2 4.37Å; L190-T252 HydrophobicContact CD1-CG2 4.29Å; L190-T252 PolarHBondContact N-O 3.42Å; E191-T252 PolarHBondContact N-O 2.86Å; E191-T252 PolarHBondContact O-N 3.21Å; E191-T252 WeakPolarHBondContact OE2-CB 3.3Å; E191-T252 PolarHBondContact OE2-OG1 3.3Å; H250-T252 PolarHBondContact CD2-OG1 2.69Å
253	H	98.9	Very high	95.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.4	166.2	68.1	-99.6	0	0	0	110.5	V166 Y167 I187 L188 K194 W196 T255	V166-H253 WeakPolarHBondContact CA-O 3.48Å; Y167-H253 AromaticContact CD2-CD2 3.78Å; Y167-H253 AromaticContact CD2-CE1 3.98Å; Y167-H253 AromaticContact CD2-NE2 3.21Å; Y167-H253 WeakPolarHBondContact CD2-NE2 3.33Å; Y167-H253 AromaticContact CG-CE1 3.98Å; Y167-H253 AromaticContact CG-NE2 3.67Å; Y167-H253 PolarHBondContact N-O 3.34Å; Y167-H253 PolarHBondContact O-N 2.94Å; Y167-H253 VanDerWaalsContact O-N 3.1Å; I187-H253 HydrophobicContact CG2-CB 4.05Å; L188-H253 VanDerWaalsContact O-CA 3.3Å; L188-H253 WeakPolarHBondContact O-CA 3.48Å; L188-H253 VanDerWaalsContact O-CB 3.31Å; L188-H253 WeakPolarHBondContact O-CB 3.5Å; K194-H253 PolarHBondContact NZ-CE1 2.57Å; W196-H253 AromaticContact CZ2-CE1 3.55Å; W196-H253 AromaticContact CZ2-NE2 3.85Å; H253-T255 PolarHBondContact CD2-OG1 2.79Å; H253-T255 PolarHBondContact NE2-OG1 3.13Å
254	V	98.9	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	164.4	64.3	0	0	0	0	108.8	L147 N165 V166 I187 L188 L190 I256	L147-V254 HydrophobicContact CD2-CG1 4.49Å; L147-V254 HydrophobicContact CD2-CG2 4.45Å; N165-V254 WeakPolarHBondContact O-CA 3.41Å; V166-V254 HydrophobicContact CG2-CB 3.98Å; V166-V254 HydrophobicContact CG2-CG2 3.91Å; I187-V254 WeakPolarHBondContact CA-O 3.43Å; L188-V254 HydrophobicContact CB-CG1 3.85Å; L188-V254 PolarHBondContact N-O 3.05Å; L188-V254 PolarHBondContact O-N 2.84Å; L190-V254 HydrophobicContact CD1-CB 4.13Å; L190-V254 HydrophobicContact CD1-CG1 4.09Å; L190-V254 HydrophobicContact CD2-CG1 3.99Å; L190-V254 HydrophobicContact CG-CG1 4.37Å; V254-I256 HydrophobicContact CG2-CG1 4.39Å
255	T	98.9	Very high	95.8	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.5	169.2	-56.6	0	0	0	0	107.1	S164 N165 V185 I187 H253	S164-T255 CarbonylContact C-O 3.59Å; S164-T255 WeakPolarHBondContact CA-O 3.15Å; S164-T255 VanDerWaalsContact CB-O 3.28Å; S164-T255 WeakPolarHBondContact CB-O 3.37Å; N165-T255 PolarHBondContact N-O 3.08Å; N165-T255 PolarHBondContact O-N 2.84Å; V185-T255 HydrophobicContact CB-CG2 3.78Å; V185-T255 HydrophobicContact CG1-CG2 3.77Å; I187-T255 HydrophobicContact CG1-CG2 4.03Å; H253-T255 PolarHBondContact CD2-OG1 2.79Å; H253-T255 PolarHBondContact NE2-OG1 3.13Å
256	I	98.9	Very high	95.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.8	169.2	-59.9	175.9	0	0	0	107	I150 Q151 L154 V162 V185 F186 L188 V254	I150-I256 HydrophobicContact CG2-CD1 4.01Å; Q151-I256 HydrophobicContact CG-CG2 4.48Å; L154-I256 HydrophobicContact CD1-CD1 4.39Å; L154-I256 HydrophobicContact CD1-CG2 3.99Å; V162-I256 HydrophobicContact CG1-CG2 3.37Å; V185-I256 CarbonylContact C-O 3.53Å; V185-I256 WeakPolarHBondContact CA-O 3.43Å; F186-I256 HydrophobicContact CB-CB 4.4Å; F186-I256 PolarHBondContact N-O 2.89Å; F186-I256 PolarHBondContact O-N 2.86Å; L188-I256 HydrophobicContact CD1-CD1 4.19Å; V254-I256 HydrophobicContact CG2-CG1 4.39Å
257	S	98.8	Very high	95.7	Very high	20 Å²	20	46.8 Å²	46.8	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.5	-172.1	56.4	0	0	0	0	112.2	V162 G163 E184	V162-S257 CarbonylContact C-O 3.54Å; V162-S257 WeakPolarHBondContact CA-O 3.42Å; G163-S257 PolarHBondContact N-O 3.43Å; G163-S257 PolarHBondContact O-N 3.14Å; G163-S257 PolarHBondContact O-OG 3.07Å; E184-S257 CarbonylContact O-C 3.59Å; E184-S257 VanDerWaalsContact O-CA 3.26Å; E184-S257 WeakPolarHBondContact O-CA 3.48Å
258	T	98.9	Very high	96.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-178.7	-179.9	-165.9	0	0	0	0	111.9	W59 F158 S160 L161 V183 E184 Q260	W59-T258 HydrophobicContact CH2-CG2 4.21Å; F158-T258 HydrophobicContact CD2-CG2 4.08Å; F158-T258 HydrophobicContact CE2-CG2 4.25Å; F158-T258 HydrophobicContact CG-CG2 4.25Å; S160-T258 WeakPolarHBondContact CB-OG1 3.22Å; S160-T258 PolarHBondContact OG-OG1 2.9Å; L161-T258 WeakPolarHBondContact O-CA 3.41Å; L161-T258 WeakPolarHBondContact O-CB 3.46Å; L161-T258 PolarHBondContact O-OG1 3.48Å; V183-T258 WeakPolarHBondContact CB-O 3.45Å; E184-T258 HydrophobicContact CB-CG2 4.26Å; E184-T258 PolarHBondContact N-O 2.76Å; E184-T258 PolarHBondContact O-N 2.86Å; T258-Q260 VanDerWaalsContact C-N 3.28Å; T258-Q260 PolarHBondContact O-N 3.39Å
259	Y	98.7	Very high	96.6	Very high	52 Å²	52	49.7 Å²	49.7	20%	0.204	26%	0.259	C	S	.	.			trans	65.7	20.8	174.7	-96.7	-119.6	0	0	0	115.8	W59 F158 S160 E184 N261 N262	W59-Y259 HydrophobicContact CH2-CD2 4.02Å; W59-Y259 HydrophobicContact CH2-CE2 4.32Å; W59-Y259 HydrophobicContact CH2-CG 4.11Å; W59-Y259 AromaticContact CZ2-CD1 3.69Å; W59-Y259 HydrophobicContact CZ2-CD1 3.69Å; W59-Y259 AromaticContact CZ2-CD2 3.82Å; W59-Y259 HydrophobicContact CZ2-CD2 3.82Å; W59-Y259 AromaticContact CZ2-CE1 3.73Å; W59-Y259 HydrophobicContact CZ2-CE1 3.73Å; W59-Y259 AromaticContact CZ2-CE2 3.87Å; W59-Y259 HydrophobicContact CZ2-CE2 3.87Å; W59-Y259 AromaticContact CZ2-CG 3.72Å; W59-Y259 HydrophobicContact CZ2-CG 3.72Å; W59-Y259 AromaticContact CZ2-CZ 3.81Å; F158-Y259 HydrophobicContact CB-CE2 4.1Å; F158-Y259 HydrophobicContact CD1-CE2 4.03Å; F158-Y259 HydrophobicContact CG-CE2 4.43Å; S160-Y259 PolarHBondContact OG-N 3.1Å; E184-Y259 HydrophobicContact CG-CG 4.35Å; Y259-N261 PolarHBondContact O-N 3.06Å; Y259-N262 HydrophobicContact CD1-CB 4.18Å; Y259-N262 HydrophobicContact CG-CB 4.23Å; Y259-N262 PolarHBondContact O-N 3.36Å
260	Q	98.3	Very high	96.8	Very high	95 Å²	95	46.8 Å²	46.8	44%	0.444	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	128.4	170.3	-159.2	177.7	29.7	0	0	110	D182 V183 T258 N262	D182-Q260 PolarHBondContact OD2-NE2 3.39Å; V183-Q260 HydrophobicContact CG1-CB 3.62Å; V183-Q260 HydrophobicContact CG1-CG 3.89Å; T258-Q260 VanDerWaalsContact C-N 3.28Å; T258-Q260 PolarHBondContact O-N 3.39Å; Q260-N262 PolarHBondContact O-N 3.46Å; Q260-N262 VanDerWaalsContact O-N 3.07Å
261	N	96.9	Very high	96.4	Very high	84 Å²	84	45.6 Å²	45.6	45%	0.449	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	34.2	179.8	-61.2	-42.9	0	0	0	114.4	Y259 D266	Y259-N261 PolarHBondContact O-N 3.06Å; N261-D266 VanDerWaalsContact O-CB 3.29Å; N261-D266 WeakPolarHBondContact O-CB 3.27Å; N261-D266 VanDerWaalsContact O-OD2 3.14Å
262	N	97.3	Very high	95.8	Very high	48 Å²	48	47.6 Å²	47.6	26%	0.257	24%	0.238	S	C	.	.			trans	-111.4	40.9	-178.7	-158.3	42.2	0	0	0	111.7	Y259 Q260 M330	Y259-N262 HydrophobicContact CD1-CB 4.18Å; Y259-N262 HydrophobicContact CG-CB 4.23Å; Y259-N262 PolarHBondContact O-N 3.36Å; Q260-N262 PolarHBondContact O-N 3.46Å; Q260-N262 VanDerWaalsContact O-N 3.07Å; N262-M330 WeakPolarHBondContact OD1-CE 3.29Å
263	S	97.8	Very high	95.1	Very high	26 Å²	26	50 Å²	50	18%	0.182	26%	0.255	C	S	.	.	S	Bend	trans	-95.3	165.9	-176.8	75.3	0	0	0	0	112.7	R207 G265 D266 F267	R207-S263 PolarHBondContact NH1-OG 3.17Å; S263-G265 PolarHBondContact O-N 3.26Å; S263-G265 PolarHBondContact OG-N 2.83Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.41Å; S263-D266 PolarHBondContact N-OD2 2.97Å; S263-D266 WeakPolarHBondContact O-CB 3.34Å; S263-D266 PolarHBondContact O-N 3.37Å; S263-D266 PolarHBondContact OG-N 2.96Å; S263-D266 PolarHBondContact OG-OD2 3.21Å; S263-F267 PolarHBondContact O-N 3.32Å
264	W	97.3	Very high	94.2	Very high	218 Å²	218	49.8 Å²	49.8	83%	0.826	26%	0.255	S	S	*	.	H	α-helix	trans	-54.9	-31.6	169.7	-78	108.2	0	0	0	113.4	F267 L268	W264-F267 HydrophobicContact CE3-CD1 4.37Å; W264-F267 HydrophobicContact CZ3-CD1 4.2Å; W264-L268 WeakPolarHBondContact O-CB 3.25Å; W264-L268 PolarHBondContact O-N 2.63Å
265	G	96.3	Very high	93.5	Very high	32 Å²	32	49.8 Å²	49.8	33%	0.33	26%	0.255	S	S	.	.	H	α-helix	trans	-67.3	-38.4	175.4	0	0	0	0	0	112.5	S263 L269	S263-G265 PolarHBondContact O-N 3.26Å; S263-G265 PolarHBondContact OG-N 2.83Å; G265-L269 WeakPolarHBondContact O-CG 3.48Å; G265-L269 PolarHBondContact O-N 2.98Å; G265-L269 VanDerWaalsContact O-N 3.13Å
266	D	95.2	Very high	92.9	Very high	22 Å²	22	51.7 Å²	51.7	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-68.9	-48.2	177.2	-56.9	-52.4	0	0	0	110.6	R207 N261 S263 L268 L269 D270 M330	R207-D266 IonicContact CZ-OD1 3.44Å; R207-D266 IonicContact CZ-OD2 2.84Å; R207-D266 IonicContact NH1-OD1 3.68Å; R207-D266 PolarHBondContact NH1-OD1 2.88Å; R207-D266 IonicContact NH1-OD2 3.92Å; R207-D266 PolarHBondContact NH1-OD2 2.56Å; R207-D266 IonicContact NH2-OD1 3.95Å; R207-D266 PolarHBondContact NH2-OD1 2.84Å; R207-D266 IonicContact NH2-OD2 2.74Å; N261-D266 VanDerWaalsContact O-CB 3.29Å; N261-D266 WeakPolarHBondContact O-CB 3.27Å; N261-D266 VanDerWaalsContact O-OD2 3.14Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.41Å; S263-D266 PolarHBondContact N-OD2 2.97Å; S263-D266 WeakPolarHBondContact O-CB 3.34Å; S263-D266 PolarHBondContact O-N 3.37Å; S263-D266 PolarHBondContact OG-N 2.96Å; S263-D266 PolarHBondContact OG-OD2 3.21Å; D266-L268 VanDerWaalsContact C-N 3.29Å; D266-L268 PolarHBondContact O-N 2.87Å; D266-L269 PolarHBondContact O-N 2.74Å; D266-L269 VanDerWaalsContact O-N 3.15Å; D266-D270 WeakPolarHBondContact O-CB 3.45Å; D266-D270 PolarHBondContact O-N 3.1Å; D266-M330 HydrophobicContact CB-CE 4.14Å; D266-M330 HydrophobicContact CB-SD 4.2Å
267	F	93.6	Very high	92.1	Very high	95 Å²	95	58.2 Å²	58.2	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-34.1	178.4	-170.1	-114.6	0	0	0	112.8	S263 W264 S271 M330	S263-F267 PolarHBondContact O-N 3.32Å; W264-F267 HydrophobicContact CE3-CD1 4.37Å; W264-F267 HydrophobicContact CZ3-CD1 4.2Å; F267-S271 VanDerWaalsContact O-CB 3.25Å; F267-S271 WeakPolarHBondContact O-CB 3.36Å; F267-S271 PolarHBondContact O-N 3.21Å; F267-S271 PolarHBondContact O-OG 3.39Å; F267-M330 HydrophobicContact CB-SD 4.2Å; F267-M330 HydrophobicContact CD2-SD 4.1Å
268	L	92.8	Very high	91	Very high	93 Å²	93	58.2 Å²	58.2	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-46.9	172.4	177.8	63.8	0	0	0	111.3	W264 D266 S271 L272	W264-L268 WeakPolarHBondContact O-CB 3.25Å; W264-L268 PolarHBondContact O-N 2.63Å; D266-L268 VanDerWaalsContact C-N 3.29Å; D266-L268 PolarHBondContact O-N 2.87Å; L268-S271 PolarHBondContact O-N 3.41Å; L268-L272 HydrophobicContact CD1-CD1 3.78Å; L268-L272 HydrophobicContact CD1-CD2 4.47Å; L268-L272 HydrophobicContact CD1-CG 3.87Å; L268-L272 HydrophobicContact CD2-CD1 4.49Å; L268-L272 HydrophobicContact CG-CD1 3.79Å; L268-L272 HydrophobicContact CG-CG 4.26Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.44Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 2.74Å
269	L	91.7	Very high	90.2	Very high	119 Å²	119	58.8 Å²	58.8	62%	0.623	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-43.6	178.6	-71.5	171.4	0	0	0	111.9	G265 D266 L272 S273	G265-L269 WeakPolarHBondContact O-CG 3.48Å; G265-L269 PolarHBondContact O-N 2.98Å; G265-L269 VanDerWaalsContact O-N 3.13Å; D266-L269 PolarHBondContact O-N 2.74Å; D266-L269 VanDerWaalsContact O-N 3.15Å; L269-L272 PolarHBondContact O-N 2.9Å; L269-S273 PolarHBondContact O-N 2.92Å; L269-S273 VanDerWaalsContact O-N 3.09Å
270	D	89.9	Confident	89.6	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-51.1	175.3	-176	70.3	0	0	0	111.2	D266 L272 S273 S328 D329 M330	D266-D270 WeakPolarHBondContact O-CB 3.45Å; D266-D270 PolarHBondContact O-N 3.1Å; D270-L272 PolarHBondContact O-N 3.37Å; D270-S273 PolarHBondContact O-N 2.93Å; D270-S328 VanDerWaalsContact OD2-CA 3.31Å; D270-S328 WeakPolarHBondContact OD2-CA 3.47Å; D270-S328 WeakPolarHBondContact OD2-CB 3.44Å; D270-S328 PolarHBondContact OD2-OG 3.09Å; D270-D329 WeakPolarHBondContact OD1-CA 3.42Å; D270-D329 WeakPolarHBondContact OD1-CB 3.35Å; D270-D329 PolarHBondContact OD1-N 3.15Å; D270-M330 HydrophobicContact CB-CG 3.88Å; D270-M330 HydrophobicContact CB-SD 3.8Å; D270-M330 PolarHBondContact OD1-N 3.13Å; D270-M330 VanDerWaalsContact OD1-N 3.07Å
271	S	87.3	Confident	88.7	Confident	13 Å²	13	57.7 Å²	57.7	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-66.1	-40.9	-179	-60.2	0	0	0	0	112.7	F267 L268 S273 L275	F267-S271 VanDerWaalsContact O-CB 3.25Å; F267-S271 WeakPolarHBondContact O-CB 3.36Å; F267-S271 PolarHBondContact O-N 3.21Å; F267-S271 PolarHBondContact O-OG 3.39Å; L268-S271 PolarHBondContact O-N 3.41Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S271-S273 PolarHBondContact O-N 3.09Å; S271-L275 WeakPolarHBondContact O-CG 3.17Å; S271-L275 PolarHBondContact O-N 3.29Å; S271-L275 VanDerWaalsContact O-N 3.1Å
272	L	87.1	Confident	88	Confident	41 Å²	41	62 Å²	62	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-37.5	179.8	-77.3	176.4	0	0	0	112	L268 L269 D270 L275 V276 L315	L268-L272 HydrophobicContact CD1-CD1 3.78Å; L268-L272 HydrophobicContact CD1-CD2 4.47Å; L268-L272 HydrophobicContact CD1-CG 3.87Å; L268-L272 HydrophobicContact CD2-CD1 4.49Å; L268-L272 HydrophobicContact CG-CD1 3.79Å; L268-L272 HydrophobicContact CG-CG 4.26Å; L268-L272 VanDerWaalsContact O-CB 3.25Å; L268-L272 WeakPolarHBondContact O-CB 3.44Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 2.74Å; L269-L272 PolarHBondContact O-N 2.9Å; D270-L272 PolarHBondContact O-N 3.37Å; L272-L275 PolarHBondContact O-N 2.93Å; L272-V276 WeakPolarHBondContact O-CB 3.48Å; L272-V276 WeakPolarHBondContact O-CG2 3.46Å; L272-V276 PolarHBondContact O-N 3.36Å; L272-L315 HydrophobicContact CD2-CB 4.41Å; L272-L315 HydrophobicContact CD2-CD1 4.18Å
273	S	84.3	Confident	87.4	Confident	50 Å²	50	62.6 Å²	62.6	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-56.1	-55.2	176.8	-175.8	0	0	0	0	110.8	L269 D270 S271 L275 V276 F277	L269-S273 PolarHBondContact O-N 2.92Å; L269-S273 VanDerWaalsContact O-N 3.09Å; D270-S273 PolarHBondContact O-N 2.93Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S271-S273 PolarHBondContact O-N 3.09Å; S273-L275 PolarHBondContact O-N 3.44Å; S273-V276 PolarHBondContact O-N 3.23Å; S273-F277 WeakPolarHBondContact O-CD2 3.18Å; S273-F277 PolarHBondContact O-N 3.07Å; S273-F277 VanDerWaalsContact O-N 3.15Å
274	G	79.9	Confident	87.1	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-58.7	-45.2	178.1	0	0	0	0	0	113	V276 F277 D278 S327	G274-V276 PolarHBondContact O-N 3.07Å; G274-F277 PolarHBondContact O-N 2.88Å; G274-D278 PolarHBondContact O-N 3.09Å; G274-S327 WeakPolarHBondContact CA-OG 3.49Å
275	L	83.5	Confident	86.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-43.3	178.6	-78.8	166.9	0	0	0	113	S271 L272 S273 F277 D278 I279 L315 L319 L326	S271-L275 WeakPolarHBondContact O-CG 3.17Å; S271-L275 PolarHBondContact O-N 3.29Å; S271-L275 VanDerWaalsContact O-N 3.1Å; L272-L275 PolarHBondContact O-N 2.93Å; S273-L275 PolarHBondContact O-N 3.44Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 3.34Å; L275-D278 PolarHBondContact O-N 3.35Å; L275-I279 WeakPolarHBondContact O-CB 3.42Å; L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 2.82Å; L275-L315 HydrophobicContact CB-CD2 3.78Å; L275-L319 HydrophobicContact CD1-CD1 3.87Å; L275-L326 HydrophobicContact CD1-CD1 4Å; L275-L326 HydrophobicContact CD2-CD1 4.13Å; L275-L326 HydrophobicContact CD2-CD2 3.61Å; L275-L326 HydrophobicContact CG-CD1 3.78Å; L275-L326 HydrophobicContact CG-CD2 3.85Å; L275-L326 HydrophobicContact CG-CG 4.49Å
276	V	86.8	Confident	86.5	Confident	52 Å²	52	57.1 Å²	57.1	32%	0.315	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-44.9	178.9	168.4	0	0	0	0	109.9	L272 S273 G274 A280 L315	L272-V276 WeakPolarHBondContact O-CB 3.48Å; L272-V276 WeakPolarHBondContact O-CG2 3.46Å; L272-V276 PolarHBondContact O-N 3.36Å; S273-V276 PolarHBondContact O-N 3.23Å; G274-V276 PolarHBondContact O-N 3.07Å; V276-A280 WeakPolarHBondContact O-CB 3.34Å; V276-A280 PolarHBondContact O-N 2.79Å; V276-L315 HydrophobicContact CG2-CD1 3.96Å; V276-L315 HydrophobicContact CG2-CD2 4.15Å
277	F	81.3	Confident	86.3	Confident	139 Å²	139	62.5 Å²	62.5	61%	0.61	32%	0.317	S	S	*	.	H	α-helix	trans	-65.1	-38.9	177.7	-73.1	-60.7	0	0	0	113	S273 G274 L275	S273-F277 WeakPolarHBondContact O-CD2 3.18Å; S273-F277 PolarHBondContact O-N 3.07Å; S273-F277 VanDerWaalsContact O-N 3.15Å; G274-F277 PolarHBondContact O-N 2.88Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 3.34Å
278	D	77.4	Confident	86.3	Confident	20 Å²	20	61.2 Å²	61.2	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-49.1	178.1	-77.8	-31.4	0	0	0	112.2	G274 L275 A280 K281 K389	G274-D278 PolarHBondContact O-N 3.09Å; L275-D278 PolarHBondContact O-N 3.35Å; D278-A280 VanDerWaalsContact C-N 3.25Å; D278-A280 PolarHBondContact O-N 3.14Å; D278-K281 VanDerWaalsContact O-CB 3.31Å; D278-K281 WeakPolarHBondContact O-CB 3.37Å; D278-K281 PolarHBondContact O-N 2.9Å; D278-K281 IonicContact OD1-NZ 3.19Å; D278-K281 PolarHBondContact OD1-NZ 2.8Å; D278-K389 VanDerWaalsContact OD1-CE 3.27Å; D278-K389 WeakPolarHBondContact OD1-CE 3.46Å; D278-K389 IonicContact OD1-NZ 3.07Å; D278-K389 PolarHBondContact OD1-NZ 2.89Å; D278-K389 WeakPolarHBondContact OD2-CE 3.46Å; D278-K389 IonicContact OD2-NZ 3.89Å; D278-K389 PolarHBondContact OD2-NZ 2.96Å
279	I	80.7	Confident	86.4	Confident	15 Å²	15	60 Å²	60	8%	0.077	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-36.5	178	-62.5	174.1	0	0	0	110.2	L275 K281 E282 D283 L286 L315 Q318	L275-I279 WeakPolarHBondContact O-CB 3.42Å; L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 2.82Å; I279-K281 PolarHBondContact O-N 2.88Å; I279-E282 PolarHBondContact O-N 2.83Å; I279-D283 HydrophobicContact CG2-CB 4Å; I279-D283 PolarHBondContact O-N 3.47Å; I279-L286 HydrophobicContact CB-CD1 3.81Å; I279-L286 HydrophobicContact CG2-CD1 3.55Å; I279-L315 HydrophobicContact CD1-CD2 3.47Å; I279-L315 VanDerWaalsContact CD1-CD2 3.47Å; I279-L315 HydrophobicContact CD1-CG 4.31Å; I279-Q318 HydrophobicContact CD1-CB 4.23Å; I279-Q318 HydrophobicContact CD1-CG 4.18Å
280	A	85.7	Confident	86.6	Confident	17 Å²	17	59.6 Å²	59.6	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-1.7	174.6	0	0	0	0	0	113.3	V276 D278 L286 R287	V276-A280 WeakPolarHBondContact O-CB 3.34Å; V276-A280 PolarHBondContact O-N 2.79Å; D278-A280 VanDerWaalsContact C-N 3.25Å; D278-A280 PolarHBondContact O-N 3.14Å; A280-L286 HydrophobicContact CB-CB 3.92Å; A280-L286 HydrophobicContact CB-CD1 4.48Å; A280-R287 HydrophobicContact CB-CG 4.06Å; A280-R287 WeakPolarHBondContact O-CD 3.48Å; A280-R287 WeakPolarHBondContact O-CG 3.37Å; A280-R287 PolarHBondContact O-NH1 2.95Å
281	K	80.7	Confident	86.7	Confident	107 Å²	107	63.2 Å²	63.2	47%	0.465	35%	0.35	S	S	.	.	H	α-helix	trans	-83.2	-33.8	166.4	-65.1	171.8	-176.5	167.6	0	112.1	D278 I279 R287	D278-K281 VanDerWaalsContact O-CB 3.31Å; D278-K281 WeakPolarHBondContact O-CB 3.37Å; D278-K281 PolarHBondContact O-N 2.9Å; D278-K281 IonicContact OD1-NZ 3.19Å; D278-K281 PolarHBondContact OD1-NZ 2.8Å; I279-K281 PolarHBondContact O-N 2.88Å; K281-R287 PolarHBondContact O-NH1 3.08Å
282	E	81.5	Confident	87.1	Confident	176 Å²	176	72.4 Å²	72.4	82%	0.822	38%	0.382	S	S	*	.	H	α-helix	trans	-98.2	-38.8	-175.4	-63	175.9	-175.6	0	0	112.2	I279	I279-E282 PolarHBondContact O-N 2.83Å
283	D	85.2	Confident	87.4	Confident	60 Å²	60	75.7 Å²	75.7	32%	0.321	40%	0.397	S	S	.	.			trans	-102.9	110.9	-177.8	-170.1	-9.5	0	0	0	111.7	I279 A285 L286	I279-D283 HydrophobicContact CG2-CB 4Å; I279-D283 PolarHBondContact O-N 3.47Å; D283-A285 PolarHBondContact O-N 3.17Å; D283-A285 WeakPolarHBondContact OD1-CB 3.18Å; D283-A285 PolarHBondContact OD1-N 3.03Å; D283-L286 PolarHBondContact O-N 2.78Å
284	V	91.3	Very high	87.6	Confident	86 Å²	86	75.1 Å²	75.1	52%	0.521	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-23.7	177.1	70.9	0	0	0	0	112.7	L286 R287 T288	V284-L286 VanDerWaalsContact C-N 3.25Å; V284-L286 PolarHBondContact O-N 2.8Å; V284-R287 CarbonylContact O-C 3.55Å; V284-R287 WeakPolarHBondContact O-CA 3.36Å; V284-R287 PolarHBondContact O-N 3.27Å; V284-T288 HydrophobicContact CG2-CG2 4.46Å; V284-T288 WeakPolarHBondContact O-CG2 3.31Å; V284-T288 PolarHBondContact O-N 3.16Å
285	A	90.9	Very high	88.1	Confident	30 Å²	30	81 Å²	81	25%	0.248	42%	0.424	C	S	.	.	H	α-helix	trans	-60.5	-35.2	-177.1	0	0	0	0	0	112.4	D283 T288 F311	D283-A285 PolarHBondContact O-N 3.17Å; D283-A285 WeakPolarHBondContact OD1-CB 3.18Å; D283-A285 PolarHBondContact OD1-N 3.03Å; A285-T288 PolarHBondContact O-OG1 3.44Å; A285-F311 HydrophobicContact CB-CE1 3.94Å; A285-F311 HydrophobicContact CB-CZ 4.19Å
286	L	89.8	Confident	88.6	Confident	45 Å²	45	87.4 Å²	87.4	24%	0.236	46%	0.456	C	S	.	.	H	α-helix	trans	-75.7	-23.4	175.3	-75	174.9	0	0	0	112.9	I279 A280 D283 V284 F311	I279-L286 HydrophobicContact CB-CD1 3.81Å; I279-L286 HydrophobicContact CG2-CD1 3.55Å; A280-L286 HydrophobicContact CB-CB 3.92Å; A280-L286 HydrophobicContact CB-CD1 4.48Å; D283-L286 PolarHBondContact O-N 2.78Å; V284-L286 VanDerWaalsContact C-N 3.25Å; V284-L286 PolarHBondContact O-N 2.8Å; L286-F311 HydrophobicContact CD2-CB 4.24Å; L286-F311 HydrophobicContact CD2-CD1 3.73Å; L286-F311 HydrophobicContact CD2-CD2 3.85Å; L286-F311 HydrophobicContact CD2-CE1 3.91Å; L286-F311 HydrophobicContact CD2-CE2 4.01Å; L286-F311 HydrophobicContact CD2-CG 3.7Å; L286-F311 HydrophobicContact CD2-CZ 4.03Å; L286-F311 HydrophobicContact CG-CD1 4.29Å; L286-F311 HydrophobicContact CG-CE1 4.22Å
287	R	91.5	Very high	88.7	Confident	134 Å²	134	90.1 Å²	90.1	51%	0.506	47%	0.465	S	S	.	.	H	α-helix	trans	-86.1	-20	175.4	-61.9	-168.3	-63.8	-97.6	4.6	113.9	A280 K281 V284 G289	A280-R287 HydrophobicContact CB-CG 4.06Å; A280-R287 WeakPolarHBondContact O-CD 3.48Å; A280-R287 WeakPolarHBondContact O-CG 3.37Å; A280-R287 PolarHBondContact O-NH1 2.95Å; K281-R287 PolarHBondContact O-NH1 3.08Å; V284-R287 CarbonylContact O-C 3.55Å; V284-R287 WeakPolarHBondContact O-CA 3.36Å; V284-R287 PolarHBondContact O-N 3.27Å; R287-G289 PolarHBondContact O-N 3.42Å
288	T	93.7	Very high	89	Confident	68 Å²	68	90.8 Å²	90.8	42%	0.417	48%	0.48	S	S	.	.	S	Bend	trans	-61.1	136.3	178.9	60.3	0	0	0	0	111.8	V284 A285 K307	V284-T288 HydrophobicContact CG2-CG2 4.46Å; V284-T288 WeakPolarHBondContact O-CG2 3.31Å; V284-T288 PolarHBondContact O-N 3.16Å; A285-T288 PolarHBondContact O-OG1 3.44Å; T288-K307 PolarHBondContact OG1-NZ 3.25Å
289	G	94.8	Very high	89.6	Confident	69 Å²	69	97.5 Å²	97.5	71%	0.711	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-60.5	145.9	176	0	0	0	0	0	112.4	R287	R287-G289 PolarHBondContact O-N 3.42Å
290	I	94.6	Very high	90	Very high	110 Å²	110	100.4 Å²	100.4	56%	0.564	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-65.7	155	169.5	61.9	176.3	0	0	0	110.7	M294 V295	I290-M294 HydrophobicContact CB-SD 4.01Å; I290-M294 HydrophobicContact CD1-CB 4.3Å; I290-M294 HydrophobicContact CG2-SD 4.49Å; I290-V295 HydrophobicContact CD1-CG1 3.74Å
291	P	93.8	Very high	90.2	Very high	93 Å²	93	102.1 Å²	102.1	60%	0.604	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-50.2	143.4	174.2	-29	34	0	0	0	113.5	Q293 M294	P291-Q293 PolarHBondContact O-N 3.09Å; P291-M294 HydrophobicContact CB-CB 4.37Å; P291-M294 HydrophobicContact CG-SD 4.25Å; P291-M294 WeakPolarHBondContact O-CB 3.27Å; P291-M294 PolarHBondContact O-N 3.11Å; P291-M294 VanDerWaalsContact O-N 3.13Å
292	R	94.6	Very high	90.8	Very high	205 Å²	205	101.2 Å²	101.2	77%	0.774	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	140.9	176.6	63.5	178.2	178.5	81.2	-1.5	110.8	M294	R292-M294 PolarHBondContact O-N 3.36Å
293	Q	92.5	Very high	91.3	Very high	111 Å²	111	96 Å²	96	52%	0.519	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	4.8	177.7	-50.1	-178.5	-47	0	0	115	P291 V295 M296 H297	P291-Q293 PolarHBondContact O-N 3.09Å; Q293-V295 VanDerWaalsContact C-N 3.27Å; Q293-V295 PolarHBondContact O-N 3.47Å; Q293-M296 HydrophobicContact CB-CE 3.41Å; Q293-M296 VanDerWaalsContact CB-CE 3.41Å; Q293-M296 HydrophobicContact CG-CE 3.37Å; Q293-M296 WeakPolarHBondContact O-CB 3.45Å; Q293-M296 PolarHBondContact O-N 2.92Å; Q293-H297 PolarHBondContact O-CD2 2.98Å; Q293-H297 VanDerWaalsContact O-CD2 3.24Å
294	M	89.4	Confident	91.6	Very high	38 Å²	38	93.8 Å²	93.8	19%	0.187	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-55.1	-39.9	-177.2	-177.9	169.8	158.2	0	0	113.1	I290 P291 R292 M296 H297 T300 A304	I290-M294 HydrophobicContact CB-SD 4.01Å; I290-M294 HydrophobicContact CD1-CB 4.3Å; I290-M294 HydrophobicContact CG2-SD 4.49Å; P291-M294 HydrophobicContact CB-CB 4.37Å; P291-M294 HydrophobicContact CG-SD 4.25Å; P291-M294 WeakPolarHBondContact O-CB 3.27Å; P291-M294 PolarHBondContact O-N 3.11Å; P291-M294 VanDerWaalsContact O-N 3.13Å; R292-M294 PolarHBondContact O-N 3.36Å; M294-M296 PolarHBondContact O-N 3.37Å; M294-H297 PolarHBondContact O-N 3.1Å; M294-T300 HydrophobicContact CE-CG2 4.37Å; M294-A304 HydrophobicContact CE-CB 3.23Å; M294-A304 HydrophobicContact SD-CB 4.11Å
295	V	90.8	Very high	91.6	Very high	125 Å²	125	93.8 Å²	93.8	76%	0.758	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.4	177.9	-62	0	0	0	0	114.2	I290 Q293	I290-V295 HydrophobicContact CD1-CG1 3.74Å; Q293-V295 VanDerWaalsContact C-N 3.27Å; Q293-V295 PolarHBondContact O-N 3.47Å
296	M	92.9	Very high	91.8	Very high	135 Å²	135	100.6 Å²	100.6	67%	0.665	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-93.2	-5.5	178.5	-59.4	-167.1	-67.5	0	0	112.9	Q293 M294	Q293-M296 HydrophobicContact CB-CE 3.41Å; Q293-M296 VanDerWaalsContact CB-CE 3.41Å; Q293-M296 HydrophobicContact CG-CE 3.37Å; Q293-M296 WeakPolarHBondContact O-CB 3.45Å; Q293-M296 PolarHBondContact O-N 2.92Å; M294-M296 PolarHBondContact O-N 3.37Å
297	H	88.6	Confident	92	Very high	109 Å²	109	103.4 Å²	103.4	51%	0.505	55%	0.545	S	S	.	.			trans	-73.8	139.5	175.5	-71.6	-93.6	0	0	0	110.7	Q293 M294 E299	Q293-H297 PolarHBondContact O-CD2 2.98Å; Q293-H297 VanDerWaalsContact O-CD2 3.24Å; M294-H297 PolarHBondContact O-N 3.1Å; H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 WeakPolarHBondContact CB-O 3.48Å; H297-E299 PolarHBondContact O-N 3.47Å
298	V	89	Confident	92.1	Very high	153 Å²	153	101.5 Å²	101.5	93%	0.927	55%	0.545	S	S	*	.	S	Bend	trans	-65	-34.9	175.3	-179.2	0	0	0	0	111.3
299	E	90.3	Very high	92.2	Very high	161 Å²	161	100.5 Å²	100.5	75%	0.752	54%	0.541	S	S	*	.	S	Bend	trans	-119.2	144.5	178	-64.8	-177.8	177.4	0	0	110.8	H297 P301	H297-E299 VanDerWaalsContact C-N 3.27Å; H297-E299 WeakPolarHBondContact CB-O 3.48Å; H297-E299 PolarHBondContact O-N 3.47Å; E299-P301 WeakPolarHBondContact O-CD 3.45Å
300	T	88.2	Confident	92.1	Very high	77 Å²	77	98.5 Å²	98.5	47%	0.472	52%	0.52	S	S	.	.			trans	-73.1	121.3	174.2	-58.6	0	0	0	0	109.5	M294 A304 L305	M294-T300 HydrophobicContact CE-CG2 4.37Å; T300-A304 HydrophobicContact CG2-CB 3.99Å; T300-L305 HydrophobicContact CG2-CD2 3.76Å; T300-L305 HydrophobicContact CG2-CG 3.91Å
301	P	91	Very high	92	Very high	52 Å²	52	95.2 Å²	95.2	34%	0.338	50%	0.502	S	S	.	.			trans	-59.4	142.3	-178.1	-24.8	34.2	0	0	0	112.5	E299 A303 A304 L305	E299-P301 WeakPolarHBondContact O-CD 3.45Å; P301-A303 PolarHBondContact O-N 3.35Å; P301-A303 VanDerWaalsContact O-N 3.08Å; P301-A304 WeakPolarHBondContact O-CA 3.4Å; P301-A304 WeakPolarHBondContact O-CB 3.3Å; P301-A304 PolarHBondContact O-N 3.44Å; P301-L305 PolarHBondContact O-N 2.64Å; P301-L305 VanDerWaalsContact O-N 3.12Å
302	T	92.5	Very high	92	Very high	89 Å²	89	95.6 Å²	95.6	55%	0.546	50%	0.498	S	S	.	.	H	α-helix	trans	-55.3	-33.7	-179.8	-45.1	0	0	0	0	113.1	A304 L305 R306	T302-A304 VanDerWaalsContact C-N 3.33Å; T302-A304 PolarHBondContact O-N 3.11Å; T302-L305 PolarHBondContact O-N 2.93Å; T302-R306 WeakPolarHBondContact O-CG 3.12Å; T302-R306 PolarHBondContact O-N 3.14Å
303	A	90.9	Very high	91.9	Very high	65 Å²	65	93.5 Å²	93.5	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-62.9	-39	175.8	0	0	0	0	0	112.3	P301 K307	P301-A303 PolarHBondContact O-N 3.35Å; P301-A303 VanDerWaalsContact O-N 3.08Å; A303-K307 PolarHBondContact O-N 3.03Å
304	A	91.5	Very high	91.7	Very high	15 Å²	15	91.1 Å²	91.1	12%	0.124	48%	0.484	C	S	.	.	H	α-helix	trans	-68.7	-43.5	175.1	0	0	0	0	0	111.6	M294 T300 P301 T302 R306 K307 L308	M294-A304 HydrophobicContact CE-CB 3.23Å; M294-A304 HydrophobicContact SD-CB 4.11Å; T300-A304 HydrophobicContact CG2-CB 3.99Å; P301-A304 WeakPolarHBondContact O-CA 3.4Å; P301-A304 WeakPolarHBondContact O-CB 3.3Å; P301-A304 PolarHBondContact O-N 3.44Å; T302-A304 VanDerWaalsContact C-N 3.33Å; T302-A304 PolarHBondContact O-N 3.11Å; A304-R306 VanDerWaalsContact C-N 3.29Å; A304-R306 PolarHBondContact O-N 3.43Å; A304-K307 PolarHBondContact O-N 3.17Å; A304-K307 VanDerWaalsContact O-N 3.1Å; A304-L308 WeakPolarHBondContact O-CG 3.28Å; A304-L308 PolarHBondContact O-N 3.02Å
305	L	93	Very high	91.6	Very high	85 Å²	85	89.9 Å²	89.9	45%	0.445	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-40.8	175.3	-66.8	175.1	0	0	0	111.9	T300 P301 T302 S309	T300-L305 HydrophobicContact CG2-CD2 3.76Å; T300-L305 HydrophobicContact CG2-CG 3.91Å; P301-L305 PolarHBondContact O-N 2.64Å; P301-L305 VanDerWaalsContact O-N 3.12Å; T302-L305 PolarHBondContact O-N 2.93Å; L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 PolarHBondContact O-OG 3.11Å
306	R	94.9	Very high	91.6	Very high	174 Å²	174	86.2 Å²	86.2	66%	0.657	46%	0.461	S	S	*	.	H	α-helix	trans	-63.7	-43	173.7	-74.5	-173.3	-131.3	130.3	1.3	112.2	T302 A304 S309 G310	T302-R306 WeakPolarHBondContact O-CG 3.12Å; T302-R306 PolarHBondContact O-N 3.14Å; A304-R306 VanDerWaalsContact C-N 3.29Å; A304-R306 PolarHBondContact O-N 3.43Å; R306-S309 PolarHBondContact O-N 3.42Å; R306-G310 PolarHBondContact O-N 3.1Å
307	K	93.4	Very high	91.3	Very high	103 Å²	103	84.3 Å²	84.3	45%	0.448	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-46.9	178.3	-167.5	173.1	178.9	-178.4	0	111.2	T288 A303 A304 S309 G310 F311	T288-K307 PolarHBondContact OG1-NZ 3.25Å; A303-K307 PolarHBondContact O-N 3.03Å; A304-K307 PolarHBondContact O-N 3.17Å; A304-K307 VanDerWaalsContact O-N 3.1Å; K307-S309 PolarHBondContact O-N 2.98Å; K307-G310 PolarHBondContact O-N 2.83Å; K307-G310 VanDerWaalsContact O-N 3.14Å; K307-F311 HydrophobicContact CD-CE2 4.22Å; K307-F311 HydrophobicContact CD-CZ 4.32Å; K307-F311 VanDerWaalsContact CE-CZ 3.48Å; K307-F311 HydrophobicContact CG-CD2 4.37Å; K307-F311 HydrophobicContact CG-CE2 3.73Å; K307-F311 HydrophobicContact CG-CZ 3.98Å; K307-F311 WeakPolarHBondContact O-CD2 3.09Å; K307-F311 PolarHBondContact O-N 2.74Å
308	L	93.5	Very high	91	Very high	94 Å²	94	83 Å²	83	49%	0.492	45%	0.447	S	S	.	.	H	α-helix	trans	-59.9	-44.6	174.5	-70.4	172.8	0	0	0	112.1	A304 G310 F311 L312	A304-L308 WeakPolarHBondContact O-CG 3.28Å; A304-L308 PolarHBondContact O-N 3.02Å; L308-G310 PolarHBondContact O-N 2.79Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-N 3.16Å; L308-L312 WeakPolarHBondContact O-CG 3.05Å; L308-L312 PolarHBondContact O-N 3.39Å
309	S	95.2	Very high	90.8	Very high	47 Å²	47	80 Å²	80	33%	0.329	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-34.8	175.9	-58.7	0	0	0	0	112.3	L305 R306 K307 R313	L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 PolarHBondContact O-OG 3.11Å; R306-S309 PolarHBondContact O-N 3.42Å; K307-S309 PolarHBondContact O-N 2.98Å; S309-R313 WeakPolarHBondContact O-CG 3.26Å; S309-R313 PolarHBondContact O-N 3.03Å; S309-R313 PolarHBondContact O-NH1 2.86Å
310	G	94.1	Very high	90.6	Very high	28 Å²	28	79.7 Å²	79.7	29%	0.289	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-51	172.3	0	0	0	0	0	111.3	R306 K307 L308 L312 R313 T314	R306-G310 PolarHBondContact O-N 3.1Å; K307-G310 PolarHBondContact O-N 2.83Å; K307-G310 VanDerWaalsContact O-N 3.14Å; L308-G310 PolarHBondContact O-N 2.79Å; G310-L312 PolarHBondContact O-N 2.86Å; G310-R313 PolarHBondContact O-N 3.08Å; G310-T314 PolarHBondContact O-N 3.12Å; G310-T314 PolarHBondContact O-OG1 2.88Å
311	F	92.8	Very high	90	Very high	41 Å²	41	82.4 Å²	82.4	18%	0.18	44%	0.436	C	S	.	.	H	α-helix	trans	-59.8	-42.4	177.7	-64.1	-40.8	0	0	0	113.1	A285 L286 K307 L308 R313 T314 L315	A285-F311 HydrophobicContact CB-CE1 3.94Å; A285-F311 HydrophobicContact CB-CZ 4.19Å; L286-F311 HydrophobicContact CD2-CB 4.24Å; L286-F311 HydrophobicContact CD2-CD1 3.73Å; L286-F311 HydrophobicContact CD2-CD2 3.85Å; L286-F311 HydrophobicContact CD2-CE1 3.91Å; L286-F311 HydrophobicContact CD2-CE2 4.01Å; L286-F311 HydrophobicContact CD2-CG 3.7Å; L286-F311 HydrophobicContact CD2-CZ 4.03Å; L286-F311 HydrophobicContact CG-CD1 4.29Å; L286-F311 HydrophobicContact CG-CE1 4.22Å; K307-F311 HydrophobicContact CD-CE2 4.22Å; K307-F311 HydrophobicContact CD-CZ 4.32Å; K307-F311 VanDerWaalsContact CE-CZ 3.48Å; K307-F311 HydrophobicContact CG-CD2 4.37Å; K307-F311 HydrophobicContact CG-CE2 3.73Å; K307-F311 HydrophobicContact CG-CZ 3.98Å; K307-F311 WeakPolarHBondContact O-CD2 3.09Å; K307-F311 PolarHBondContact O-N 2.74Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-N 3.16Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.37Å; F311-T314 PolarHBondContact O-N 2.86Å; F311-L315 WeakPolarHBondContact O-CB 3.16Å; F311-L315 WeakPolarHBondContact O-CD1 3.26Å; F311-L315 VanDerWaalsContact O-CG 3.3Å; F311-L315 WeakPolarHBondContact O-CG 3.44Å; F311-L315 PolarHBondContact O-N 3.41Å
312	L	92.9	Very high	89	Confident	100 Å²	100	82.8 Å²	82.8	52%	0.524	43%	0.43	S	S	.	.	H	α-helix	trans	-61.3	-39.3	177.4	-70.9	173.5	0	0	0	112.6	L308 G310 L315 A316	L308-L312 WeakPolarHBondContact O-CG 3.05Å; L308-L312 PolarHBondContact O-N 3.39Å; G310-L312 PolarHBondContact O-N 2.86Å; L312-L315 HydrophobicContact CD2-CD1 4.49Å; L312-L315 PolarHBondContact O-N 3.01Å; L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 2.68Å
313	R	92.4	Very high	87.8	Confident	161 Å²	161	88.4 Å²	88.4	61%	0.608	45%	0.447	S	S	*	.	H	α-helix	trans	-67.3	-41.7	175.1	-69.5	-177	-166.7	99.4	-2.5	111.9	S309 G310 F311 L315 A316 N317	S309-R313 WeakPolarHBondContact O-CG 3.26Å; S309-R313 PolarHBondContact O-N 3.03Å; S309-R313 PolarHBondContact O-NH1 2.86Å; G310-R313 PolarHBondContact O-N 3.08Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 3.37Å; R313-L315 VanDerWaalsContact C-N 3.33Å; R313-L315 PolarHBondContact O-N 3.49Å; R313-A316 PolarHBondContact O-N 2.96Å; R313-N317 PolarHBondContact O-N 2.96Å; R313-N317 PolarHBondContact O-OD1 2.76Å
314	T	88	Confident	86.8	Confident	61 Å²	61	91.1 Å²	91.1	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-60.2	-45.6	174.8	-58.5	0	0	0	0	111	G310 F311 A316 N317 Q318	G310-T314 PolarHBondContact O-N 3.12Å; G310-T314 PolarHBondContact O-OG1 2.88Å; F311-T314 PolarHBondContact O-N 2.86Å; T314-A316 VanDerWaalsContact C-N 3.33Å; T314-A316 PolarHBondContact O-N 3.37Å; T314-N317 PolarHBondContact O-N 3.39Å; T314-Q318 HydrophobicContact CG2-CG 4.36Å; T314-Q318 VanDerWaalsContact O-CB 3.29Å; T314-Q318 WeakPolarHBondContact O-CB 3.2Å; T314-Q318 WeakPolarHBondContact O-CG 3.37Å; T314-Q318 PolarHBondContact O-N 3.2Å
315	L	87.9	Confident	85.9	Confident	12 Å²	12	92.9 Å²	92.9	6%	0.063	46%	0.456	C	S	.	.	H	α-helix	trans	-59.7	-42.7	176.6	-75.5	160.9	0	0	0	111.7	L272 L275 V276 I279 F311 L312 R313 Q318 L319	L272-L315 HydrophobicContact CD2-CB 4.41Å; L272-L315 HydrophobicContact CD2-CD1 4.18Å; L275-L315 HydrophobicContact CB-CD2 3.78Å; V276-L315 HydrophobicContact CG2-CD1 3.96Å; V276-L315 HydrophobicContact CG2-CD2 4.15Å; I279-L315 HydrophobicContact CD1-CD2 3.47Å; I279-L315 VanDerWaalsContact CD1-CD2 3.47Å; I279-L315 HydrophobicContact CD1-CG 4.31Å; F311-L315 WeakPolarHBondContact O-CB 3.16Å; F311-L315 WeakPolarHBondContact O-CD1 3.26Å; F311-L315 VanDerWaalsContact O-CG 3.3Å; F311-L315 WeakPolarHBondContact O-CG 3.44Å; F311-L315 PolarHBondContact O-N 3.41Å; L312-L315 HydrophobicContact CD2-CD1 4.49Å; L312-L315 PolarHBondContact O-N 3.01Å; R313-L315 VanDerWaalsContact C-N 3.33Å; R313-L315 PolarHBondContact O-N 3.49Å; L315-Q318 PolarHBondContact O-N 2.84Å; L315-L319 WeakPolarHBondContact O-CB 3.41Å; L315-L319 PolarHBondContact O-N 3.27Å
316	A	90.1	Very high	85.2	Confident	49 Å²	49	90.4 Å²	90.4	41%	0.405	44%	0.443	S	S	.	.	H	α-helix	trans	-61.3	-51.2	177	0	0	0	0	0	112.1	L312 R313 T314 Q318 L319 E320	L312-A316 WeakPolarHBondContact O-CB 3.44Å; L312-A316 PolarHBondContact O-N 2.68Å; R313-A316 PolarHBondContact O-N 2.96Å; T314-A316 VanDerWaalsContact C-N 3.33Å; T314-A316 PolarHBondContact O-N 3.37Å; A316-Q318 VanDerWaalsContact C-N 3.26Å; A316-Q318 PolarHBondContact O-N 3.12Å; A316-L319 WeakPolarHBondContact O-CB 3.37Å; A316-L319 PolarHBondContact O-N 3.39Å; A316-E320 PolarHBondContact O-N 3.32Å
317	N	87.9	Confident	84.6	Confident	95 Å²	95	83.9 Å²	83.9	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.6	-64.2	-8.6	0	0	0	111.3	R313 T314 L319 E320 D321	R313-N317 PolarHBondContact O-N 2.96Å; R313-N317 PolarHBondContact O-OD1 2.76Å; T314-N317 PolarHBondContact O-N 3.39Å; N317-L319 PolarHBondContact O-N 3.48Å; N317-E320 PolarHBondContact O-N 3.47Å; N317-D321 PolarHBondContact O-N 3.08Å
318	Q	81.9	Confident	84.2	Confident	80 Å²	80	79.4 Å²	79.4	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-67.7	-21.6	178.5	-77.1	-69.9	-35.6	0	0	113.9	I279 T314 L315 A316 R322	I279-Q318 HydrophobicContact CD1-CB 4.23Å; I279-Q318 HydrophobicContact CD1-CG 4.18Å; T314-Q318 HydrophobicContact CG2-CG 4.36Å; T314-Q318 VanDerWaalsContact O-CB 3.29Å; T314-Q318 WeakPolarHBondContact O-CB 3.2Å; T314-Q318 WeakPolarHBondContact O-CG 3.37Å; T314-Q318 PolarHBondContact O-N 3.2Å; L315-Q318 PolarHBondContact O-N 2.84Å; A316-Q318 VanDerWaalsContact C-N 3.26Å; A316-Q318 PolarHBondContact O-N 3.12Å; Q318-R322 WeakPolarHBondContact O-CB 3.36Å; Q318-R322 PolarHBondContact O-NE 2.66Å
319	L	84.6	Confident	83.9	Confident	92 Å²	92	80 Å²	80	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-82	-37.2	176.4	-172	148.6	0	0	0	110.8	L275 L315 A316 N317	L275-L319 HydrophobicContact CD1-CD1 3.87Å; L315-L319 WeakPolarHBondContact O-CB 3.41Å; L315-L319 PolarHBondContact O-N 3.27Å; A316-L319 WeakPolarHBondContact O-CB 3.37Å; A316-L319 PolarHBondContact O-N 3.39Å; N317-L319 PolarHBondContact O-N 3.48Å
320	E	85.7	Confident	83.8	Confident	154 Å²	154	79.9 Å²	79.9	72%	0.72	40%	0.404	S	S	*	.	H	α-helix	trans	-65.8	-39.4	178	-68.5	178.9	168.5	0	0	112.7	A316 N317	A316-E320 PolarHBondContact O-N 3.32Å; N317-E320 PolarHBondContact O-N 3.47Å
321	D	75.9	Confident	83.7	Confident	133 Å²	133	82.1 Å²	82.1	71%	0.711	41%	0.406	S	S	*	.	S	Bend	trans	-86.5	-8.4	-175.9	-70.3	-32.4	0	0	0	113.9	N317	N317-D321 PolarHBondContact O-N 3.08Å
322	R	70.1	Confident	83.6	Confident	60 Å²	60	82.9 Å²	82.9	23%	0.226	41%	0.409	C	S	.	.			trans	-84.1	140.6	-170.3	-132.4	176	-91	-110.8	-1.1	113.1	Q318 E324	Q318-R322 WeakPolarHBondContact O-CB 3.36Å; Q318-R322 PolarHBondContact O-NE 2.66Å; R322-E324 HydrophobicContact CG-CB 4.07Å; R322-E324 HydrophobicContact CG-CG 4.23Å; R322-E324 IonicContact NH1-OE2 3.64Å; R322-E324 PolarHBondContact NH1-OE2 3.42Å
323	K	66.1	Low	83.5	Confident	207 Å²	207	81.6 Å²	81.6	90%	0.9	40%	0.403	S	S	*	.			trans	-112.1	2.6	167.6	-63	-175.9	-178.6	178.4	0	113.4
324	E	70.3	Confident	83.7	Confident	123 Å²	123	75.2 Å²	75.2	58%	0.575	38%	0.38	S	S	*	.	S	Bend	trans	-85.8	151.3	-172.2	-62	-178.6	158.6	0	0	112.3	R322	R322-E324 HydrophobicContact CG-CB 4.07Å; R322-E324 HydrophobicContact CG-CG 4.23Å; R322-E324 IonicContact NH1-OE2 3.64Å; R322-E324 PolarHBondContact NH1-OE2 3.42Å
325	L	73.2	Confident	84	Confident	51 Å²	51	72.4 Å²	72.4	27%	0.267	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-76.7	131.7	173.8	-165.2	62.7	0	0	0	109.3	I374 V376	L325-I374 HydrophobicContact CD2-CG2 3.92Å; L325-V376 HydrophobicContact CB-CG1 4.27Å; L325-V376 HydrophobicContact CB-CG2 4.32Å; L325-V376 HydrophobicContact CD2-CG1 4.1Å; L325-V376 HydrophobicContact CG-CG1 4.46Å; L325-V376 HydrophobicContact CG-CG2 4.47Å; L325-V376 WeakPolarHBondContact O-CG2 3.35Å
326	L	78.9	Confident	84.1	Confident	33 Å²	33	75 Å²	75	17%	0.173	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-92.3	150.7	172.6	-62	176.4	0	0	0	110.5	L275	L275-L326 HydrophobicContact CD1-CD1 4Å; L275-L326 HydrophobicContact CD2-CD1 4.13Å; L275-L326 HydrophobicContact CD2-CD2 3.61Å; L275-L326 HydrophobicContact CG-CD1 3.78Å; L275-L326 HydrophobicContact CG-CD2 3.85Å; L275-L326 HydrophobicContact CG-CG 4.49Å
327	S	81.3	Confident	84.3	Confident	38 Å²	38	75.4 Å²	75.4	27%	0.266	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.6	140.5	163.5	58.1	0	0	0	0	108.9	G274 V376	G274-S327 WeakPolarHBondContact CA-OG 3.49Å; S327-V376 VanDerWaalsContact CA-O 3.3Å; S327-V376 WeakPolarHBondContact CA-O 3.48Å; S327-V376 WeakPolarHBondContact CB-O 3.34Å
328	S	85.8	Confident	84.7	Confident	9 Å²	9	71 Å²	71	6%	0.063	35%	0.345	C	S	.	.			trans	-139.1	114.9	176.6	176.8	0	0	0	0	109.5	D270 M330 K331 K332 T375	D270-S328 VanDerWaalsContact OD2-CA 3.31Å; D270-S328 WeakPolarHBondContact OD2-CA 3.47Å; D270-S328 WeakPolarHBondContact OD2-CB 3.44Å; D270-S328 PolarHBondContact OD2-OG 3.09Å; S328-M330 VanDerWaalsContact C-N 3.3Å; S328-K331 PolarHBondContact OG-N 2.76Å; S328-K332 PolarHBondContact O-N 3.12Å; S328-T375 PolarHBondContact N-OG1 3.45Å
329	D	87.3	Confident	85.4	Confident	105 Å²	105	67.2 Å²	67.2	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-71.5	-32.1	173.4	-71.5	-30.6	0	0	0	109.8	D270 K331 K332 D333	D270-D329 WeakPolarHBondContact OD1-CA 3.42Å; D270-D329 WeakPolarHBondContact OD1-CB 3.35Å; D270-D329 PolarHBondContact OD1-N 3.15Å; D329-K331 PolarHBondContact O-N 3.02Å; D329-K332 WeakPolarHBondContact O-CB 3.45Å; D329-K332 PolarHBondContact O-N 3.49Å; D329-K332 VanDerWaalsContact O-N 3.17Å; D329-D333 WeakPolarHBondContact O-CB 3.46Å; D329-D333 PolarHBondContact O-N 3.45Å
330	M	92.1	Very high	85.9	Confident	46 Å²	46	63.2 Å²	63.2	23%	0.227	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-44.5	172.8	-68.8	-177.7	73.6	0	0	112.4	N262 D266 F267 D270 S328 K332 D333 F334	N262-M330 WeakPolarHBondContact OD1-CE 3.29Å; D266-M330 HydrophobicContact CB-CE 4.14Å; D266-M330 HydrophobicContact CB-SD 4.2Å; F267-M330 HydrophobicContact CB-SD 4.2Å; F267-M330 HydrophobicContact CD2-SD 4.1Å; D270-M330 HydrophobicContact CB-CG 3.88Å; D270-M330 HydrophobicContact CB-SD 3.8Å; D270-M330 PolarHBondContact OD1-N 3.13Å; D270-M330 VanDerWaalsContact OD1-N 3.07Å; S328-M330 VanDerWaalsContact C-N 3.3Å; M330-K332 VanDerWaalsContact C-N 3.31Å; M330-K332 PolarHBondContact O-N 3.03Å; M330-D333 PolarHBondContact O-N 2.91Å; M330-F334 WeakPolarHBondContact O-CB 3.09Å; M330-F334 PolarHBondContact O-N 2.83Å
331	K	92.1	Very high	86.3	Confident	75 Å²	75	56.1 Å²	56.1	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-41.6	175.5	-75.7	-177.7	-179.9	175.1	0	112	S328 D329 V335 I374	S328-K331 PolarHBondContact OG-N 2.76Å; D329-K331 PolarHBondContact O-N 3.02Å; K331-V335 WeakPolarHBondContact O-CG1 3.39Å; K331-V335 PolarHBondContact O-N 3.1Å; K331-V335 VanDerWaalsContact O-N 3.14Å; K331-I374 PolarHBondContact NZ-O 2.91Å
332	K	90.1	Very high	87	Confident	56 Å²	56	51.9 Å²	51.9	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-47.1	179.5	-168.8	-178.4	177.5	177.2	0	110.3	S328 D329 M330 F334 V335 M336 Y394 L414	S328-K332 PolarHBondContact O-N 3.12Å; D329-K332 WeakPolarHBondContact O-CB 3.45Å; D329-K332 PolarHBondContact O-N 3.49Å; D329-K332 VanDerWaalsContact O-N 3.17Å; M330-K332 VanDerWaalsContact C-N 3.31Å; M330-K332 PolarHBondContact O-N 3.03Å; K332-F334 PolarHBondContact O-N 3.48Å; K332-V335 VanDerWaalsContact O-CG1 3.32Å; K332-V335 WeakPolarHBondContact O-CG1 3.24Å; K332-V335 PolarHBondContact O-N 3.02Å; K332-M336 HydrophobicContact CG-CE 3.9Å; K332-M336 HydrophobicContact CG-SD 3.97Å; K332-M336 WeakPolarHBondContact O-CB 3.4Å; K332-M336 WeakPolarHBondContact O-CE 3.14Å; K332-M336 WeakPolarHBondContact O-CG 3.45Å; K332-M336 PolarHBondContact O-N 3.13Å; K332-M336 VanDerWaalsContact O-N 3.1Å; K332-Y394 HydrophobicContact CG-CE2 4.43Å; K332-L414 HydrophobicContact CD-CD2 4.35Å; K332-L414 HydrophobicContact CG-CD2 4.13Å
333	D	92.1	Very high	87.5	Confident	73 Å²	73	50.7 Å²	50.7	39%	0.39	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-48.2	176.6	-174.6	69.8	0	0	0	111.7	D329 M330 V335 M336 H337	D329-D333 WeakPolarHBondContact O-CB 3.46Å; D329-D333 PolarHBondContact O-N 3.45Å; M330-D333 PolarHBondContact O-N 2.91Å; D333-V335 PolarHBondContact O-N 2.86Å; D333-M336 PolarHBondContact O-N 2.91Å; D333-H337 WeakPolarHBondContact O-CB 3.36Å; D333-H337 PolarHBondContact O-N 3.06Å; D333-H337 VanDerWaalsContact O-N 3.09Å; D333-H337 PolarHBondContact O-ND1 3.41Å; D333-H337 IonicContact OD1-CE1 3.2Å; D333-H337 PolarHBondContact OD1-CE1 2.83Å; D333-H337 IonicContact OD1-ND1 2.66Å; D333-H337 PolarHBondContact OD1-ND1 2.92Å; D333-H337 IonicContact OD2-ND1 3.19Å
334	F	95.6	Very high	87	Confident	28 Å²	28	47.6 Å²	47.6	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-52.4	178.9	172.9	-120.2	0	0	0	112.6	E155 S160 L161 M330 K332 M336 H337 R338	E155-F334 HydrophobicContact CB-CE2 4.28Å; E155-F334 HydrophobicContact CB-CZ 4.43Å; S160-F334 VanDerWaalsContact C-CE2 3.41Å; S160-F334 WeakPolarHBondContact O-CE2 3.49Å; L161-F334 HydrophobicContact CD2-CD2 3.86Å; L161-F334 HydrophobicContact CD2-CE2 4.39Å; L161-F334 HydrophobicContact CG-CD2 4.19Å; M330-F334 WeakPolarHBondContact O-CB 3.09Å; M330-F334 PolarHBondContact O-N 2.83Å; K332-F334 PolarHBondContact O-N 3.48Å; F334-M336 VanDerWaalsContact C-N 3.29Å; F334-M336 PolarHBondContact O-N 3.44Å; F334-H337 PolarHBondContact O-N 2.89Å; F334-R338 HydrophobicContact CD2-CB 4.42Å; F334-R338 HydrophobicContact CE2-CB 4.18Å; F334-R338 VanDerWaalsContact O-CB 3.24Å; F334-R338 WeakPolarHBondContact O-CB 3.4Å; F334-R338 WeakPolarHBondContact O-CG 3.3Å; F334-R338 PolarHBondContact O-N 2.88Å; F334-R338 VanDerWaalsContact O-N 3.11Å
335	V	94.3	Very high	85.7	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-31.1	-176.6	71.2	0	0	0	0	112.5	K331 K332 D333 V373 Y394 S396 N399	K331-V335 WeakPolarHBondContact O-CG1 3.39Å; K331-V335 PolarHBondContact O-N 3.1Å; K331-V335 VanDerWaalsContact O-N 3.14Å; K332-V335 VanDerWaalsContact O-CG1 3.32Å; K332-V335 WeakPolarHBondContact O-CG1 3.24Å; K332-V335 PolarHBondContact O-N 3.02Å; D333-V335 PolarHBondContact O-N 2.86Å; V335-V373 HydrophobicContact CB-CG1 4.2Å; V335-V373 HydrophobicContact CB-CG2 3.72Å; V335-V373 HydrophobicContact CG1-CG2 3.59Å; V335-V373 HydrophobicContact CG2-CG2 4.08Å; V335-Y394 HydrophobicContact CG1-CG 4.39Å; V335-S396 WeakPolarHBondContact O-CB 3.43Å; V335-N399 PolarHBondContact O-ND2 3.5Å
336	M	91.2	Very high	84.3	Confident	66 Å²	66	52.7 Å²	52.7	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-74.3	-35.5	179.9	-73.2	-175.1	-49.3	0	0	112.9	K332 D333 F334 N399 L414	K332-M336 HydrophobicContact CG-CE 3.9Å; K332-M336 HydrophobicContact CG-SD 3.97Å; K332-M336 WeakPolarHBondContact O-CB 3.4Å; K332-M336 WeakPolarHBondContact O-CE 3.14Å; K332-M336 WeakPolarHBondContact O-CG 3.45Å; K332-M336 PolarHBondContact O-N 3.13Å; K332-M336 VanDerWaalsContact O-N 3.1Å; D333-M336 PolarHBondContact O-N 2.91Å; F334-M336 VanDerWaalsContact C-N 3.29Å; F334-M336 PolarHBondContact O-N 3.44Å; M336-N399 PolarHBondContact O-ND2 2.89Å; M336-N399 VanDerWaalsContact O-ND2 3.11Å; M336-L414 HydrophobicContact CG-CD2 4.18Å; M336-L414 HydrophobicContact CG-CG 4.48Å; M336-L414 HydrophobicContact SD-CD1 3.6Å; M336-L414 VanDerWaalsContact SD-CD1 3.6Å; M336-L414 HydrophobicContact SD-CD2 3.71Å; M336-L414 HydrophobicContact SD-CG 3.69Å
337	H	94.1	Very high	82.7	Confident	58 Å²	58	52.5 Å²	52.5	27%	0.269	27%	0.274	S	S	.	.	H	α-helix	trans	-105.6	-5.5	-169.1	-59.5	115.4	0	0	0	114.2	L161 D333 F334 H404	L161-H337 HydrophobicContact CD1-CB 3.88Å; L161-H337 VanDerWaalsContact CD2-C 3.5Å; L161-H337 HydrophobicContact CD2-CB 4.03Å; D333-H337 WeakPolarHBondContact O-CB 3.36Å; D333-H337 PolarHBondContact O-N 3.06Å; D333-H337 VanDerWaalsContact O-N 3.09Å; D333-H337 PolarHBondContact O-ND1 3.41Å; D333-H337 IonicContact OD1-CE1 3.2Å; D333-H337 PolarHBondContact OD1-CE1 2.83Å; D333-H337 IonicContact OD1-ND1 2.66Å; D333-H337 PolarHBondContact OD1-ND1 2.92Å; D333-H337 IonicContact OD2-ND1 3.19Å; F334-H337 PolarHBondContact O-N 2.89Å; H337-H404 PolarHBondContact O-CD2 3.12Å; H337-H404 PolarHBondContact O-NE2 3.27Å
338	R	96.6	Very high	81	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.011	29%	0.287	C	S	.	.	S	Bend	trans	-75.3	167.5	177.4	70.6	176.1	-62.8	176	-2.4	113.5	E155 C156 L161 F334 D370 S396 N399	E155-R338 WeakPolarHBondContact OE1-CA 3.33Å; E155-R338 WeakPolarHBondContact OE2-CB 3.34Å; E155-R338 IonicContact OE2-NE 3.76Å; C156-R338 PolarHBondContact SG-NH2 2.83Å; L161-R338 HydrophobicContact CD2-CB 3.72Å; L161-R338 VanDerWaalsContact CD2-N 3.33Å; F334-R338 HydrophobicContact CD2-CB 4.42Å; F334-R338 HydrophobicContact CE2-CB 4.18Å; F334-R338 VanDerWaalsContact O-CB 3.24Å; F334-R338 WeakPolarHBondContact O-CB 3.4Å; F334-R338 WeakPolarHBondContact O-CG 3.3Å; F334-R338 PolarHBondContact O-N 2.88Å; F334-R338 VanDerWaalsContact O-N 3.11Å; R338-D370 PolarHBondContact NH1-O 3.13Å; R338-S396 WeakPolarHBondContact CD-OG 3.21Å; R338-S396 VanDerWaalsContact CG-CB 3.45Å; R338-N399 PolarHBondContact O-ND2 3.19Å
339	L	96.6	Very high	79.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-65.3	148.2	173.1	-72.1	161.5	0	0	0	112.2	Q141 Q151 E152 E155 S396 R401 H404	Q141-L339 HydrophobicContact CB-CD1 4.48Å; Q141-L339 HydrophobicContact CG-CD1 4.08Å; Q141-L339 HydrophobicContact CG-CD2 4.13Å; Q151-L339 HydrophobicContact CB-CD1 3.69Å; E152-L339 HydrophobicContact CB-CB 4.25Å; E152-L339 HydrophobicContact CB-CD1 4.42Å; E155-L339 WeakPolarHBondContact OE2-CB 3.23Å; E155-L339 PolarHBondContact OE2-N 2.91Å; L339-S396 PolarHBondContact O-OG 3.22Å; L339-R401 HydrophobicContact CD2-CB 4.48Å; L339-R401 HydrophobicContact CD2-CG 4.07Å; L339-H404 HydrophobicContact CD2-CB 3.65Å; L339-H404 VanDerWaalsContact CD2-CG 3.4Å; L339-H404 WeakPolarHBondContact CD2-ND1 3.49Å; L339-H404 HydrophobicContact CG-CB 4.4Å; L339-H404 VanDerWaalsContact CG-CE1 3.45Å; L339-H404 WeakPolarHBondContact CG-CE1 3.49Å; L339-H404 WeakPolarHBondContact CG-ND1 3.41Å
340	P	94.6	Very high	77.6	Confident	8 Å²	8	60.2 Å²	60.2	5%	0.052	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.6	158.3	162.9	31.8	-36.2	0	0	0	110.6	W148 S396 N399 R401	W148-P340 HydrophobicContact CZ2-CG 3.9Å; W148-P340 PolarHBondContact NE1-O 2.7Å; P340-S396 WeakPolarHBondContact CA-O 3.49Å; P340-N399 HydrophobicContact CB-CB 4.42Å; P340-N399 WeakPolarHBondContact CB-O 3.17Å; P340-N399 VanDerWaalsContact CG-O 3.25Å; P340-N399 WeakPolarHBondContact CG-O 3.4Å; P340-R401 HydrophobicContact CG-CB 4.11Å
341	P	93.9	Very high	76.1	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.026	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-54.3	143	174.2	-17	26.4	0	0	0	111.2	W148 Y343 F368 L397	W148-P341 WeakPolarHBondContact CZ2-O 3.49Å; P341-Y343 HydrophobicContact CB-CE1 3.78Å; P341-Y343 HydrophobicContact CB-CE2 4.32Å; P341-Y343 WeakPolarHBondContact CB-OH 3.49Å; P341-Y343 WeakPolarHBondContact CD-OH 3.4Å; P341-Y343 HydrophobicContact CG-CE1 4.41Å; P341-Y343 WeakPolarHBondContact CG-OH 3.39Å; P341-Y343 WeakPolarHBondContact O-CD2 3.15Å; P341-Y343 WeakPolarHBondContact O-CE2 3.45Å; P341-F368 HydrophobicContact CB-CD1 4.05Å; P341-F368 HydrophobicContact CB-CE1 3.91Å; P341-F368 HydrophobicContact CG-CD1 3.87Å; P341-F368 HydrophobicContact CG-CE1 4.07Å; P341-L397 HydrophobicContact CG-CD1 4.32Å; P341-L397 HydrophobicContact CG-CG 4.17Å
342	Y	91.3	Very high	75	Confident	45 Å²	45	63.3 Å²	63.3	18%	0.176	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-73.5	130.7	177.1	176.8	-93.3	0	0	0	111.3	D145 W148 K149 M344	D145-Y342 HydrophobicContact CB-CE2 4.19Å; W148-Y342 AromaticContact CD2-CD2 3.72Å; W148-Y342 HydrophobicContact CD2-CD2 3.72Å; W148-Y342 HydrophobicContact CD2-CE2 4.48Å; W148-Y342 AromaticContact CE3-CD2 3.5Å; W148-Y342 HydrophobicContact CE3-CD2 3.5Å; W148-Y342 VanDerWaalsContact CE3-CD2 3.5Å; W148-Y342 AromaticContact CE3-CE2 3.87Å; W148-Y342 HydrophobicContact CE3-CE2 3.87Å; W148-Y342 HydrophobicContact CG-CD2 4.22Å; W148-Y342 AromaticContact CZ3-CD2 3.94Å; W148-Y342 HydrophobicContact CZ3-CD2 3.94Å; W148-Y342 HydrophobicContact CZ3-CE2 4.25Å; K149-Y342 HydrophobicContact CB-CD1 4.19Å; K149-Y342 HydrophobicContact CB-CD2 3.62Å; K149-Y342 HydrophobicContact CB-CE1 4.41Å; K149-Y342 HydrophobicContact CB-CE2 3.89Å; K149-Y342 HydrophobicContact CB-CG 3.78Å; K149-Y342 HydrophobicContact CD-CD1 3.94Å; K149-Y342 HydrophobicContact CD-CE1 3.75Å; K149-Y342 HydrophobicContact CD-CG 4.39Å; K149-Y342 HydrophobicContact CG-CD1 3.68Å; K149-Y342 HydrophobicContact CG-CD2 4.07Å; K149-Y342 HydrophobicContact CG-CE1 4Å; K149-Y342 HydrophobicContact CG-CE2 4.37Å; K149-Y342 HydrophobicContact CG-CG 3.71Å; Y342-M344 HydrophobicContact CE1-CG 4.26Å
343	Y	80.8	Confident	74.1	Confident	34 Å²	34	62.8 Å²	62.8	13%	0.133	33%	0.329	C	S	.	.			trans	-126	130.9	177	-46.7	-67	0	0	0	110.2	P341 L350 F368	P341-Y343 HydrophobicContact CB-CE1 3.78Å; P341-Y343 HydrophobicContact CB-CE2 4.32Å; P341-Y343 WeakPolarHBondContact CB-OH 3.49Å; P341-Y343 WeakPolarHBondContact CD-OH 3.4Å; P341-Y343 HydrophobicContact CG-CE1 4.41Å; P341-Y343 WeakPolarHBondContact CG-OH 3.39Å; P341-Y343 WeakPolarHBondContact O-CD2 3.15Å; P341-Y343 WeakPolarHBondContact O-CE2 3.45Å; Y343-L350 HydrophobicContact CD1-CB 4.26Å; Y343-L350 HydrophobicContact CD1-CD1 3.35Å; Y343-L350 HydrophobicContact CD1-CG 4.45Å; Y343-L350 HydrophobicContact CE1-CB 4Å; Y343-L350 HydrophobicContact CE1-CD1 3.72Å; Y343-L350 HydrophobicContact CE1-CG 4.5Å; Y343-L350 HydrophobicContact CG-CD1 4.33Å; Y343-F368 HydrophobicContact CE1-CE1 4.14Å; Y343-F368 HydrophobicContact CE1-CZ 4.12Å
344	M	55.2	Low	72.9	Confident	143 Å²	143	61.6 Å²	61.6	70%	0.704	33%	0.334	S	S	*	.	S	Bend	trans	-81.9	120.5	171.7	-121.9	175.9	-156.4	0	0	108.2	Y342	Y342-M344 HydrophobicContact CE1-CG 4.26Å
345	E	43.2	Very low	71.8	Confident	185 Å²	185	68.4 Å²	68.4	86%	0.864	37%	0.37	S	S	*	.	S	Bend	trans	29.4	115.7	173.6	-70.2	-175.2	161.7	0	0	118.1
346	S	43.5	Very low	71.3	Confident	96 Å²	96	74.2 Å²	74.2	67%	0.671	40%	0.395	S	S	*	.			trans	75.8	63.3	-178.1	64.8	0	0	0	0	115.8	I348	S346-I348 PolarHBondContact O-N 3.31Å
347	G	44	Very low	71.1	Confident	29 Å²	29	77.3 Å²	77.3	30%	0.299	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	28.9	170.9	0	0	0	0	0	115.9
348	I	47.4	Very low	71	Confident	108 Å²	108	75.4 Å²	75.4	55%	0.554	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-41.9	173.1	-59.7	173	0	0	0	108.9	S346 L350 L351 E352	S346-I348 PolarHBondContact O-N 3.31Å; I348-L350 VanDerWaalsContact C-N 3.33Å; I348-L350 PolarHBondContact O-N 2.95Å; I348-L351 PolarHBondContact O-N 3.02Å; I348-E352 WeakPolarHBondContact O-CG 3.4Å; I348-E352 PolarHBondContact O-N 2.84Å
349	D	48.2	Very low	70.8	Confident	126 Å²	126	78.1 Å²	78.1	67%	0.674	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.7	-173.8	-74.9	-4.3	0	0	0	115.2
350	L	53.2	Low	70.6	Confident	79 Å²	79	80 Å²	80	41%	0.414	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-11.5	179.9	-72.9	169.1	0	0	0	113.9	Y343 I348 F368	Y343-L350 HydrophobicContact CD1-CB 4.26Å; Y343-L350 HydrophobicContact CD1-CD1 3.35Å; Y343-L350 HydrophobicContact CD1-CG 4.45Å; Y343-L350 HydrophobicContact CE1-CB 4Å; Y343-L350 HydrophobicContact CE1-CD1 3.72Å; Y343-L350 HydrophobicContact CE1-CG 4.5Å; Y343-L350 HydrophobicContact CG-CD1 4.33Å; I348-L350 VanDerWaalsContact C-N 3.33Å; I348-L350 PolarHBondContact O-N 2.95Å; L350-F368 HydrophobicContact CD2-CZ 4.48Å
351	L	60.2	Low	70.6	Confident	70 Å²	70	86 Å²	86	37%	0.366	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.5	170.3	-67.3	175	0	0	0	111.8	I348 L397 K398 C460	I348-L351 PolarHBondContact O-N 3.02Å; L351-L397 HydrophobicContact CD2-CB 4.14Å; L351-K398 HydrophobicContact CD2-CG 4.29Å; L351-C460 PolarHBondContact O-SG 2.95Å
352	E	69.1	Low	70.7	Confident	116 Å²	116	86.2 Å²	86.2	54%	0.542	46%	0.459	S	S	.	.	S	Bend	trans	-101.7	130.3	167.9	-69.7	-173.3	-177	0	0	109.3	I348 G354	I348-E352 WeakPolarHBondContact O-CG 3.4Å; I348-E352 PolarHBondContact O-N 2.84Å; E352-G354 PolarHBondContact O-N 3.11Å
353	P	70.3	Confident	70.9	Confident	46 Å²	46	86.4 Å²	86.4	30%	0.299	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-55.6	136.4	174.4	-25.3	34.2	0	0	0	110.9	W457	P353-W457 HydrophobicContact CB-CD2 3.73Å; P353-W457 HydrophobicContact CB-CE3 3.73Å; P353-W457 HydrophobicContact CB-CH2 3.55Å; P353-W457 HydrophobicContact CB-CZ2 3.61Å; P353-W457 HydrophobicContact CB-CZ3 3.6Å; P353-W457 HydrophobicContact CG-CE3 4.29Å; P353-W457 HydrophobicContact CG-CH2 4.47Å; P353-W457 HydrophobicContact CG-CZ3 4.15Å
354	G	67.5	Low	71.5	Confident	48 Å²	48	84.9 Å²	84.9	50%	0.495	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-57.9	153.1	-178.4	0	0	0	0	0	112.4	E352 K356 W457	E352-G354 PolarHBondContact O-N 3.11Å; G354-K356 PolarHBondContact O-N 3.38Å; G354-W457 WeakPolarHBondContact O-CZ2 3.26Å
355	I	72.3	Confident	73.4	Confident	171 Å²	171	83.6 Å²	83.6	88%	0.877	45%	0.447	S	S	*	.	S	Bend	trans	-58.7	-26.9	-168.3	-58.9	165.3	0	0	0	114.3	F357	I355-F357 PolarHBondContact O-N 3.3Å
356	K	83.3	Confident	75.8	Confident	123 Å²	123	75.7 Å²	75.7	54%	0.535	41%	0.41	S	S	.	.	S	Bend	trans	-85.5	111.2	-177.8	-171.1	-179.7	175.3	-168.2	0	110.6	G354 W457 V464 V465	G354-K356 PolarHBondContact O-N 3.38Å; K356-W457 PolarHBondContact O-NE1 2.82Å; K356-V464 HydrophobicContact CD-CB 4.21Å; K356-V464 HydrophobicContact CD-CG1 3.72Å; K356-V464 HydrophobicContact CG-CB 4.43Å; K356-V464 HydrophobicContact CG-CG1 4.18Å; K356-V464 WeakPolarHBondContact O-CG2 3.13Å; K356-V465 PolarHBondContact NZ-O 2.67Å
357	F	88.2	Confident	78	Confident	132 Å²	132	74.1 Å²	74.1	58%	0.579	39%	0.393	S	S	*	.			trans	-68	136.3	174.7	-70.9	-92.8	0	0	0	111.3	I355 L454 W457	I355-F357 PolarHBondContact O-N 3.3Å; F357-L454 HydrophobicContact CD1-CD1 4.47Å; F357-W457 AromaticContact CD1-CH2 3.43Å; F357-W457 HydrophobicContact CD1-CH2 3.43Å; F357-W457 VanDerWaalsContact CD1-CH2 3.43Å; F357-W457 HydrophobicContact CD1-CZ2 4.02Å; F357-W457 AromaticContact CD1-CZ3 3.82Å; F357-W457 HydrophobicContact CD1-CZ3 3.82Å; F357-W457 AromaticContact CE1-CH2 3.32Å; F357-W457 HydrophobicContact CE1-CH2 3.32Å; F357-W457 HydrophobicContact CE1-CZ2 4.27Å; F357-W457 AromaticContact CE1-CZ3 3.69Å; F357-W457 HydrophobicContact CE1-CZ3 3.69Å; F357-W457 HydrophobicContact CE2-CH2 4.46Å; F357-W457 HydrophobicContact CG-CH2 4.08Å; F357-W457 HydrophobicContact CG-CZ2 4.27Å; F357-W457 AromaticContact CZ-CH2 3.87Å; F357-W457 HydrophobicContact CZ-CH2 3.87Å
358	P	91.1	Very high	80.2	Confident	18 Å²	18	75.1 Å²	75.1	12%	0.117	39%	0.389	C	S	.	.			trans	-71.1	134.1	173.4	27.6	-32.4	0	0	0	111.3	V364 V453 W457 V464	P358-V364 HydrophobicContact CB-CG1 4.16Å; P358-V453 HydrophobicContact CB-CG1 3.39Å; P358-V453 HydrophobicContact CG-CG1 3.69Å; P358-W457 HydrophobicContact CG-CB 3.95Å; P358-W457 HydrophobicContact CG-CD2 4.29Å; P358-W457 HydrophobicContact CG-CG 3.88Å; P358-V464 HydrophobicContact CB-CG2 3.84Å
359	T	92.5	Very high	82.4	Confident	59 Å²	59	74.5 Å²	74.5	36%	0.362	38%	0.382	S	S	.	.			trans	-120.3	175.8	176.9	57.7	0	0	0	0	110.6	D361 S362 V438	T359-D361 VanDerWaalsContact C-N 3.27Å; T359-D361 WeakPolarHBondContact CB-OD1 3.21Å; T359-D361 PolarHBondContact O-N 3.29Å; T359-D361 PolarHBondContact OG1-OD1 3.21Å; T359-S362 PolarHBondContact N-OG 3.29Å; T359-S362 VanDerWaalsContact O-CB 3.23Å; T359-S362 WeakPolarHBondContact O-CB 3.45Å; T359-S362 PolarHBondContact O-N 3.28Å; T359-S362 VanDerWaalsContact O-N 3.11Å; T359-S362 PolarHBondContact OG1-OG 3.03Å; T359-V438 WeakPolarHBondContact O-CB 3.25Å; T359-V438 WeakPolarHBondContact O-CG2 3.44Å
360	L	92.9	Very high	84.6	Confident	41 Å²	41	72.4 Å²	72.4	22%	0.215	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-34.1	178.5	-81.1	162.2	0	0	0	113.3	S362 V438 E439 D446 K449 R450	L360-S362 VanDerWaalsContact C-N 3.27Å; L360-V438 HydrophobicContact CD2-CG1 4.29Å; L360-E439 PolarHBondContact O-N 3.15Å; L360-D446 HydrophobicContact CD1-CB 3.84Å; L360-D446 HydrophobicContact CD2-CB 3.78Å; L360-D446 HydrophobicContact CG-CB 4.47Å; L360-K449 HydrophobicContact CD2-CB 4.26Å; L360-K449 HydrophobicContact CD2-CD 4.48Å; L360-R450 HydrophobicContact CD1-CG 4.29Å; L360-R450 HydrophobicContact CD2-CG 3.93Å; L360-R450 HydrophobicContact CG-CG 3.66Å
361	D	94.3	Very high	86.6	Confident	133 Å²	133	69 Å²	69	71%	0.711	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-3.3	176.9	58.6	-50.3	0	0	0	112.9	T359	T359-D361 VanDerWaalsContact C-N 3.27Å; T359-D361 WeakPolarHBondContact CB-OD1 3.21Å; T359-D361 PolarHBondContact O-N 3.29Å; T359-D361 PolarHBondContact OG1-OD1 3.21Å
362	S	95.5	Very high	88.2	Confident	8 Å²	8	66.2 Å²	66.2	6%	0.056	34%	0.339	C	S	.	.			trans	-74.2	152.9	176.9	-69.5	0	0	0	0	111.7	T359 L360 V438	T359-S362 PolarHBondContact N-OG 3.29Å; T359-S362 VanDerWaalsContact O-CB 3.23Å; T359-S362 WeakPolarHBondContact O-CB 3.45Å; T359-S362 PolarHBondContact O-N 3.28Å; T359-S362 VanDerWaalsContact O-N 3.11Å; T359-S362 PolarHBondContact OG1-OG 3.03Å; L360-S362 VanDerWaalsContact C-N 3.27Å; S362-V438 WeakPolarHBondContact O-CG2 3.35Å; S362-V438 PolarHBondContact O-N 3.22Å
363	T	95.7	Very high	89.4	Confident	50 Å²	50	61.7 Å²	61.7	31%	0.307	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.3	164.2	-63.1	0	0	0	0	108.4	A435 V465	T363-A435 HydrophobicContact CG2-CB 3.62Å; T363-V465 HydrophobicContact CG2-CB 4.38Å; T363-V465 HydrophobicContact CG2-CG2 4.49Å; T363-V465 PolarHBondContact O-N 3.11Å
364	V	94.6	Very high	90.4	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.3	-176.7	-63.6	0	0	0	0	112	P358 A435 V436 V438 V453 L462 H463 V464	P358-V364 HydrophobicContact CB-CG1 4.16Å; V364-A435 CarbonylContact O-C 3.55Å; V364-A435 WeakPolarHBondContact O-CA 3.27Å; V364-V436 PolarHBondContact N-O 2.99Å; V364-V436 PolarHBondContact O-N 3.27Å; V364-V438 HydrophobicContact CG1-CG2 3.83Å; V364-V438 HydrophobicContact CG2-CG2 4.03Å; V364-V453 HydrophobicContact CG1-CG1 3.77Å; V364-V453 HydrophobicContact CG2-CG1 4.44Å; V364-V453 HydrophobicContact CG2-CG2 4.41Å; V364-L462 HydrophobicContact CB-CD1 4.4Å; V364-L462 HydrophobicContact CG2-CD1 4.38Å; V364-H463 CarbonylContact C-O 3.52Å; V364-H463 WeakPolarHBondContact CA-O 3.36Å; V364-V464 HydrophobicContact CG1-CG2 4.4Å
365	R	93.9	Very high	91.5	Very high	116 Å²	116	58.9 Å²	58.9	44%	0.438	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.7	175.6	-175	-176.8	-65.7	149.7	1.4	109.9	Q367 A435 L462 H463 V465	R365-Q367 PolarHBondContact O-N 2.95Å; R365-A435 HydrophobicContact CB-CB 4.45Å; R365-L462 WeakPolarHBondContact O-CA 3.45Å; R365-H463 PolarHBondContact N-O 3.05Å; R365-H463 PolarHBondContact O-N 3.22Å; R365-V465 HydrophobicContact CB-CG2 4.05Å
366	L	93.5	Very high	92.3	Very high	18 Å²	18	51 Å²	51	9%	0.094	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.3	173.5	-173.4	70.4	0	0	0	111	K369 I430 W431 L461 L462	L366-K369 HydrophobicContact CD2-CB 3.78Å; L366-K369 HydrophobicContact CD2-CD 4.3Å; L366-K369 HydrophobicContact CD2-CG 3.86Å; L366-K369 HydrophobicContact CG-CB 4.37Å; L366-I430 HydrophobicContact CB-CG2 4.02Å; L366-I430 HydrophobicContact CD1-CG2 4.1Å; L366-W431 HydrophobicContact CD1-CD2 4.38Å; L366-W431 HydrophobicContact CD1-CE3 4.16Å; L366-W431 HydrophobicContact CD1-CH2 3.77Å; L366-W431 HydrophobicContact CD1-CZ2 3.99Å; L366-W431 HydrophobicContact CD1-CZ3 3.86Å; L366-W431 HydrophobicContact CD2-CD2 3.62Å; L366-W431 HydrophobicContact CD2-CE3 4.07Å; L366-W431 HydrophobicContact CD2-CG 3.85Å; L366-W431 HydrophobicContact CD2-CZ2 4.2Å; L366-L461 WeakPolarHBondContact CD1-O 3.47Å; L366-L462 HydrophobicContact CD1-CD2 4.34Å
367	Q	90.6	Very high	92.2	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.299	23%	0.229	S	C	.	.			trans	-104.7	158	168.4	-64.3	-172.5	-67.1	0	0	109.8	R365 K369 L461 H463	R365-Q367 PolarHBondContact O-N 2.95Å; Q367-K369 PolarHBondContact O-N 3.27Å; Q367-K369 VanDerWaalsContact O-N 3.08Å; Q367-L461 PolarHBondContact N-O 2.74Å; Q367-H463 HydrophobicContact CG-CB 3.75Å
368	F	90.9	Very high	91.8	Very high	49 Å²	49	42.6 Å²	42.6	22%	0.215	22%	0.223	C	C	.	.	S	Bend	trans	50.6	39.9	174.6	-54.1	-74.3	0	0	0	113.7	P341 Y343 L350 D370 H371 T372 L397	P341-F368 HydrophobicContact CB-CD1 4.05Å; P341-F368 HydrophobicContact CB-CE1 3.91Å; P341-F368 HydrophobicContact CG-CD1 3.87Å; P341-F368 HydrophobicContact CG-CE1 4.07Å; Y343-F368 HydrophobicContact CE1-CE1 4.14Å; Y343-F368 HydrophobicContact CE1-CZ 4.12Å; L350-F368 HydrophobicContact CD2-CZ 4.48Å; F368-D370 PolarHBondContact O-N 3.04Å; F368-H371 HydrophobicContact CB-CB 4.12Å; F368-H371 WeakPolarHBondContact O-CA 3.32Å; F368-H371 WeakPolarHBondContact O-CB 3.39Å; F368-H371 PolarHBondContact O-N 2.96Å; F368-T372 PolarHBondContact O-N 2.88Å; F368-T372 PolarHBondContact O-OG1 3.07Å; F368-L397 HydrophobicContact CB-CD1 3.87Å; F368-L397 HydrophobicContact CD2-CD1 4.44Å; F368-L397 HydrophobicContact CD2-CD2 3.83Å; F368-L397 HydrophobicContact CD2-CG 4.31Å; F368-L397 HydrophobicContact CE2-CD2 4.21Å; F368-L397 HydrophobicContact CG-CD1 4.15Å; F368-L397 HydrophobicContact CG-CD2 4.35Å; F368-L397 HydrophobicContact CG-CG 4.36Å
369	K	93	Very high	91.1	Very high	95 Å²	95	43 Å²	43	41%	0.413	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-51.1	-45.6	-179	177	174.1	172.2	168.1	0	111.6	L366 Q367 H371 T372 W431	L366-K369 HydrophobicContact CD2-CB 3.78Å; L366-K369 HydrophobicContact CD2-CD 4.3Å; L366-K369 HydrophobicContact CD2-CG 3.86Å; L366-K369 HydrophobicContact CG-CB 4.37Å; Q367-K369 PolarHBondContact O-N 3.27Å; Q367-K369 VanDerWaalsContact O-N 3.08Å; K369-H371 PolarHBondContact O-N 3.3Å; K369-T372 PolarHBondContact O-N 3.21Å; K369-W431 WeakPolarHBondContact CE-O 3.37Å; K369-W431 PolarHBondContact NZ-O 3.28Å
370	D	94.6	Very high	90	Very high	82 Å²	82	47 Å²	47	44%	0.439	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-73.9	-9.4	-177.2	-58.2	-25.9	0	0	0	113.2	C156 R338 F368	C156-D370 HydrophobicContact CB-CB 3.79Å; C156-D370 VanDerWaalsContact SG-CB 3.55Å; R338-D370 PolarHBondContact NH1-O 3.13Å; F368-D370 PolarHBondContact O-N 3.04Å
371	H	94.9	Very high	88.6	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.032	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-100.3	5	174.3	-75.2	-86	0	0	0	113.6	E152 F368 K369 H395 S396 L397	E152-H371 IonicContact OE1-CE1 3.9Å; E152-H371 IonicContact OE1-NE2 3.35Å; E152-H371 PolarHBondContact OE1-NE2 3.03Å; F368-H371 HydrophobicContact CB-CB 4.12Å; F368-H371 WeakPolarHBondContact O-CA 3.32Å; F368-H371 WeakPolarHBondContact O-CB 3.39Å; F368-H371 PolarHBondContact O-N 2.96Å; K369-H371 PolarHBondContact O-N 3.3Å; H371-H395 CarbonylContact O-C 3.54Å; H371-H395 VanDerWaalsContact O-CA 3.23Å; H371-H395 WeakPolarHBondContact O-CA 3.4Å; H371-S396 PolarHBondContact ND1-OG 3.44Å; H371-S396 PolarHBondContact O-N 3.47Å; H371-L397 HydrophobicContact CB-CD1 3.96Å
372	T	93.8	Very high	87	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.1	-175.1	-44.4	0	0	0	0	110.9	F368 K369 I393 Y394 H395 W431 L461	F368-T372 PolarHBondContact O-N 2.88Å; F368-T372 PolarHBondContact O-OG1 3.07Å; K369-T372 PolarHBondContact O-N 3.21Å; T372-I393 HydrophobicContact CG2-CG2 3.44Å; T372-I393 VanDerWaalsContact CG2-CG2 3.44Å; T372-Y394 WeakPolarHBondContact CA-O 3.42Å; T372-Y394 WeakPolarHBondContact CG2-O 3.22Å; T372-H395 HydrophobicContact CG2-CB 4.15Å; T372-W431 HydrophobicContact CG2-CH2 4.16Å; T372-W431 HydrophobicContact CG2-CZ2 3.51Å; T372-L461 HydrophobicContact CG2-CD1 4.17Å
373	V	93.3	Very high	84.9	Confident	21 Å²	21	52.4 Å²	52.4	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.4	176.3	-59	0	0	0	0	110.7	V335 I393 Y394	V335-V373 HydrophobicContact CB-CG1 4.2Å; V335-V373 HydrophobicContact CB-CG2 3.72Å; V335-V373 HydrophobicContact CG1-CG2 3.59Å; V335-V373 HydrophobicContact CG2-CG2 4.08Å; V373-I393 WeakPolarHBondContact O-CA 3.44Å; V373-Y394 HydrophobicContact CG2-CD2 4.38Å; V373-Y394 PolarHBondContact N-O 2.95Å; V373-Y394 PolarHBondContact O-N 3.46Å
374	I	92.3	Very high	83	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.7	171.1	-55.3	-178	0	0	0	108.3	L325 K331 I391 Y392 I393 L427 W431	L325-I374 HydrophobicContact CD2-CG2 3.92Å; K331-I374 PolarHBondContact NZ-O 2.91Å; I374-I391 HydrophobicContact CG2-CG2 3.54Å; I374-Y392 WeakPolarHBondContact CA-O 3.33Å; I374-I393 HydrophobicContact CG1-CG1 4.32Å; I374-L427 HydrophobicContact CD1-CB 4.3Å; I374-W431 HydrophobicContact CD1-CD2 3.66Å; I374-W431 HydrophobicContact CD1-CE3 3.94Å; I374-W431 HydrophobicContact CD1-CG 4.12Å; I374-W431 HydrophobicContact CD1-CH2 4.22Å; I374-W431 HydrophobicContact CD1-CZ2 3.94Å; I374-W431 HydrophobicContact CD1-CZ3 4.21Å; I374-W431 HydrophobicContact CG1-CZ2 4.02Å
375	T	90.7	Very high	81.3	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	170.8	174.5	-168.1	0	0	0	0	109.9	S328 Y392 Y394	S328-T375 PolarHBondContact N-OG1 3.45Å; T375-Y392 PolarHBondContact N-O 2.88Å; T375-Y392 PolarHBondContact O-N 3.5Å; T375-Y394 HydrophobicContact CG2-CD2 4.02Å; T375-Y394 HydrophobicContact CG2-CE2 3.72Å
376	V	88	Confident	79.6	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.024	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.4	172	-70.2	0	0	0	0	109.9	L325 S327 K389 V390 I391 L421	L325-V376 HydrophobicContact CB-CG1 4.27Å; L325-V376 HydrophobicContact CB-CG2 4.32Å; L325-V376 HydrophobicContact CD2-CG1 4.1Å; L325-V376 HydrophobicContact CG-CG1 4.46Å; L325-V376 HydrophobicContact CG-CG2 4.47Å; L325-V376 WeakPolarHBondContact O-CG2 3.35Å; S327-V376 VanDerWaalsContact CA-O 3.3Å; S327-V376 WeakPolarHBondContact CA-O 3.48Å; S327-V376 WeakPolarHBondContact CB-O 3.34Å; V376-K389 HydrophobicContact CB-CD 4.45Å; V376-K389 HydrophobicContact CG2-CD 4.36Å; V376-V390 WeakPolarHBondContact CA-O 3.48Å; V376-I391 HydrophobicContact CG1-CG1 4.33Å; V376-L421 HydrophobicContact CG1-CD2 3.83Å
377	G	82.8	Confident	78.2	Confident	9 Å²	9	64.8 Å²	64.8	9%	0.093	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	172.5	177.4	0	0	0	0	0	111.3	K389 V390	G377-K389 WeakPolarHBondContact O-CA 3.42Å; G377-V390 PolarHBondContact N-O 2.93Å; G377-V390 VanDerWaalsContact N-O 3.14Å; G377-V390 PolarHBondContact O-N 3.25Å
378	P	77.9	Confident	77.3	Confident	71 Å²	71	66.9 Å²	66.9	46%	0.461	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.6	169.2	30.2	-33.6	0	0	0	110.2	E380 P387 Y392	P378-E380 PolarHBondContact O-N 2.98Å; P378-E380 VanDerWaalsContact O-N 3.11Å; P378-P387 HydrophobicContact CB-CB 4.47Å; P378-Y392 PolarHBondContact O-OH 3.22Å
379	D	77.8	Confident	76.8	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.139	37%	0.367	C	S	.	.			trans	-70.4	103	171	-170	-2.6	0	0	0	110.6	N381 Q388 V390	D379-N381 PolarHBondContact O-N 2.86Å; D379-N381 PolarHBondContact OD1-N 3.36Å; D379-N381 VanDerWaalsContact OD1-N 3.13Å; D379-Q388 WeakPolarHBondContact CB-O 3.27Å; D379-Q388 PolarHBondContact N-O 3.12Å; D379-V390 HydrophobicContact CB-CG1 3.93Å; D379-V390 HydrophobicContact CB-CG2 4.2Å
380	E	67.9	Low	76.7	Confident	144 Å²	144	62.8 Å²	62.8	67%	0.673	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.6	-178.7	-64	-179.6	169.3	0	0	113.7	P378	P378-E380 PolarHBondContact O-N 2.98Å; P378-E380 VanDerWaalsContact O-N 3.11Å
381	N	64.4	Low	76.6	Confident	117 Å²	117	58.9 Å²	58.9	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.2	-177.5	-76.9	9.3	0	0	0	114.2	D379 R418	D379-N381 PolarHBondContact O-N 2.86Å; D379-N381 PolarHBondContact OD1-N 3.36Å; D379-N381 VanDerWaalsContact OD1-N 3.13Å; N381-R418 PolarHBondContact ND2-NH1 3.3Å; N381-R418 PolarHBondContact OD1-NH1 3.28Å
382	Q	59.7	Low	76.5	Confident	70 Å²	70	59 Å²	59	33%	0.327	33%	0.33	S	S	.	.			trans	-100.5	97.5	178.1	-69.9	-174.5	2	0	0	109.9
383	S	52.4	Low	76.5	Confident	108 Å²	108	58.5 Å²	58.5	76%	0.755	33%	0.327	S	S	*	.	S	Bend	trans	-77.6	-23.1	179.1	62.8	0	0	0	0	113.9
384	D	55.2	Low	76.5	Confident	152 Å²	152	58.7 Å²	58.7	81%	0.813	33%	0.326	S	S	*	.	S	Bend	trans	-116.6	-6.6	-163.9	-66.6	2.2	0	0	0	114
385	E	58.7	Low	76.6	Confident	129 Å²	129	58.2 Å²	58.2	60%	0.603	32%	0.323	S	S	*	.	S	Bend	trans	-113.5	162.6	177.4	-70.3	-168	-177.9	0	0	112.2
386	A	59.3	Low	76.7	Confident	81 Å²	81	57.8 Å²	57.8	67%	0.669	32%	0.321	S	S	*	.			trans	-58.6	130.6	175.3	0	0	0	0	0	109.5	Q388	A386-Q388 PolarHBondContact O-N 3.01Å
387	P	62.9	Low	76.9	Confident	84 Å²	84	57.8 Å²	57.8	55%	0.545	32%	0.32	S	S	.	.			trans	-60.6	107.3	-171	20.9	-31.8	0	0	0	110.8	P378	P378-P387 HydrophobicContact CB-CB 4.47Å
388	Q	72.3	Confident	77.2	Confident	108 Å²	108	62.9 Å²	62.9	51%	0.505	34%	0.34	S	S	.	.			trans	-76.1	141.9	173.8	-65.4	-170.3	9.2	0	0	109.3	D379 A386	D379-Q388 WeakPolarHBondContact CB-O 3.27Å; D379-Q388 PolarHBondContact N-O 3.12Å; A386-Q388 PolarHBondContact O-N 3.01Å
389	K	81.7	Confident	77.8	Confident	43 Å²	43	61.1 Å²	61.1	19%	0.187	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.2	169.7	-114.5	-179.4	-178.7	176.4	0	108.4	D278 V376 G377 L421	D278-K389 VanDerWaalsContact OD1-CE 3.27Å; D278-K389 WeakPolarHBondContact OD1-CE 3.46Å; D278-K389 IonicContact OD1-NZ 3.07Å; D278-K389 PolarHBondContact OD1-NZ 2.89Å; D278-K389 WeakPolarHBondContact OD2-CE 3.46Å; D278-K389 IonicContact OD2-NZ 3.89Å; D278-K389 PolarHBondContact OD2-NZ 2.96Å; V376-K389 HydrophobicContact CB-CD 4.45Å; V376-K389 HydrophobicContact CG2-CD 4.36Å; G377-K389 WeakPolarHBondContact O-CA 3.42Å; K389-L421 HydrophobicContact CB-CD1 3.51Å; K389-L421 HydrophobicContact CB-CG 4.1Å; K389-L421 HydrophobicContact CD-CD1 4.49Å; K389-L421 WeakPolarHBondContact O-CG 3.46Å
390	V	89.9	Confident	78.5	Confident	14 Å²	14	65.2 Å²	65.2	9%	0.085	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.9	172.4	-63.9	0	0	0	0	110.2	V376 G377 D379 Y392	V376-V390 WeakPolarHBondContact CA-O 3.48Å; G377-V390 PolarHBondContact N-O 2.93Å; G377-V390 VanDerWaalsContact N-O 3.14Å; G377-V390 PolarHBondContact O-N 3.25Å; D379-V390 HydrophobicContact CB-CG1 3.93Å; D379-V390 HydrophobicContact CB-CG2 4.2Å; V390-Y392 HydrophobicContact CG2-CD2 4.07Å; V390-Y392 HydrophobicContact CG2-CE1 4.46Å; V390-Y392 HydrophobicContact CG2-CE2 3.38Å
391	I	92.1	Very high	79.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.2	173.2	-56.3	173	0	0	0	107.6	I374 V376 I393 R418 F419 L421 L424 L427	I374-I391 HydrophobicContact CG2-CG2 3.54Å; V376-I391 HydrophobicContact CG1-CG1 4.33Å; I391-I393 HydrophobicContact CG2-CG1 4.35Å; I391-R418 WeakPolarHBondContact O-CA 3.16Å; I391-F419 HydrophobicContact CB-CB 4.48Å; I391-F419 PolarHBondContact N-O 3.19Å; I391-F419 PolarHBondContact O-N 2.9Å; I391-L421 HydrophobicContact CG1-CD2 3.98Å; I391-L424 HydrophobicContact CD1-CB 3.74Å; I391-L424 HydrophobicContact CD1-CD1 4.12Å; I391-L427 HydrophobicContact CB-CD1 4.49Å; I391-L427 HydrophobicContact CD1-CD1 3.82Å; I391-L427 HydrophobicContact CG2-CD1 3.82Å
392	Y	92.6	Very high	81.1	Confident	10 Å²	10	60.5 Å²	60.5	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.3	170.2	-70	-87.6	0	0	0	109.8	I374 T375 P378 V390 Y394 L417 R418	I374-Y392 WeakPolarHBondContact CA-O 3.33Å; T375-Y392 PolarHBondContact N-O 2.88Å; T375-Y392 PolarHBondContact O-N 3.5Å; P378-Y392 PolarHBondContact O-OH 3.22Å; V390-Y392 HydrophobicContact CG2-CD2 4.07Å; V390-Y392 HydrophobicContact CG2-CE1 4.46Å; V390-Y392 HydrophobicContact CG2-CE2 3.38Å; Y392-Y394 HydrophobicContact CD1-CE1 4.44Å; Y392-Y394 AromaticContact CD1-CZ 3.89Å; Y392-Y394 WeakPolarHBondContact CD1-OH 3.12Å; Y392-Y394 HydrophobicContact CG-CE2 4.23Å; Y392-L417 WeakPolarHBondContact CA-O 3.31Å; Y392-R418 HydrophobicContact CD1-CG 3.87Å; Y392-R418 HydrophobicContact CE1-CG 3.69Å
393	I	94.4	Very high	82.7	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.1	171.2	-53.6	-176.1	0	0	0	107.3	T372 V373 I374 I391 G416 L417 F419 L427 W431 L456 L461	T372-I393 HydrophobicContact CG2-CG2 3.44Å; T372-I393 VanDerWaalsContact CG2-CG2 3.44Å; V373-I393 WeakPolarHBondContact O-CA 3.44Å; I374-I393 HydrophobicContact CG1-CG1 4.32Å; I391-I393 HydrophobicContact CG2-CG1 4.35Å; I393-G416 CarbonylContact O-C 3.56Å; I393-G416 VanDerWaalsContact O-CA 3.29Å; I393-G416 WeakPolarHBondContact O-CA 3.33Å; I393-L417 HydrophobicContact CB-CB 4.29Å; I393-L417 PolarHBondContact N-O 3.41Å; I393-L417 PolarHBondContact O-N 2.99Å; I393-F419 HydrophobicContact CD1-CD2 3.84Å; I393-F419 HydrophobicContact CD1-CE2 3.72Å; I393-F419 HydrophobicContact CG1-CD2 4.32Å; I393-F419 HydrophobicContact CG1-CE2 4.41Å; I393-L427 HydrophobicContact CD1-CD1 3.95Å; I393-L427 HydrophobicContact CD1-CD2 3.46Å; I393-L427 VanDerWaalsContact CD1-CD2 3.46Å; I393-L427 HydrophobicContact CD1-CG 4.36Å; I393-W431 HydrophobicContact CD1-CH2 4.16Å; I393-W431 HydrophobicContact CD1-CZ3 4.49Å; I393-W431 HydrophobicContact CG2-CH2 4.08Å; I393-W431 HydrophobicContact CG2-CZ2 4.33Å; I393-L456 HydrophobicContact CD1-CD2 3.79Å; I393-L461 HydrophobicContact CG2-CD1 4.23Å
394	Y	94.3	Very high	84.8	Confident	25 Å²	25	55 Å²	55	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.5	175.9	-61.4	-66.7	0	0	0	109.2	K332 V335 T372 V373 T375 Y392 L414	K332-Y394 HydrophobicContact CG-CE2 4.43Å; V335-Y394 HydrophobicContact CG1-CG 4.39Å; T372-Y394 WeakPolarHBondContact CA-O 3.42Å; T372-Y394 WeakPolarHBondContact CG2-O 3.22Å; V373-Y394 HydrophobicContact CG2-CD2 4.38Å; V373-Y394 PolarHBondContact N-O 2.95Å; V373-Y394 PolarHBondContact O-N 3.46Å; T375-Y394 HydrophobicContact CG2-CD2 4.02Å; T375-Y394 HydrophobicContact CG2-CE2 3.72Å; Y392-Y394 HydrophobicContact CD1-CE1 4.44Å; Y392-Y394 AromaticContact CD1-CZ 3.89Å; Y392-Y394 WeakPolarHBondContact CD1-OH 3.12Å; Y392-Y394 HydrophobicContact CG-CE2 4.23Å; Y394-L414 HydrophobicContact CD1-CD2 3.7Å; Y394-L414 HydrophobicContact CE1-CB 4.47Å; Y394-L414 HydrophobicContact CE1-CD2 3.27Å; Y394-L414 HydrophobicContact CE1-CG 4.5Å; Y394-L414 HydrophobicContact CE2-CD2 4.45Å; Y394-L414 HydrophobicContact CG-CD2 4.45Å
395	H	93.9	Very high	86.7	Confident	18 Å²	18	50.6 Å²	50.6	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.9	176.7	66.4	69.1	0	0	0	111.5	H371 T372 L397 E459 L461	H371-H395 CarbonylContact O-C 3.54Å; H371-H395 VanDerWaalsContact O-CA 3.23Å; H371-H395 WeakPolarHBondContact O-CA 3.4Å; T372-H395 HydrophobicContact CG2-CB 4.15Å; H395-L397 HydrophobicContact CB-CD1 3.99Å; H395-L397 PolarHBondContact ND1-N 2.86Å; H395-E459 IonicContact CE1-OE2 2.65Å; H395-E459 IonicContact NE2-OE2 3.33Å; H395-E459 PolarHBondContact NE2-OE2 2.89Å; H395-L461 HydrophobicContact CB-CD2 3.98Å
396	S	93.5	Very high	88.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.			trans	-101.5	9.7	-177.7	79.5	0	0	0	0	114.6	V335 R338 L339 P340 H371 K398 N399	V335-S396 WeakPolarHBondContact O-CB 3.43Å; R338-S396 WeakPolarHBondContact CD-OG 3.21Å; R338-S396 VanDerWaalsContact CG-CB 3.45Å; L339-S396 PolarHBondContact O-OG 3.22Å; P340-S396 WeakPolarHBondContact CA-O 3.49Å; H371-S396 PolarHBondContact ND1-OG 3.44Å; H371-S396 PolarHBondContact O-N 3.47Å; S396-K398 PolarHBondContact O-N 2.82Å; S396-K398 VanDerWaalsContact O-N 3.14Å; S396-N399 WeakPolarHBondContact CB-ND2 3.5Å; S396-N399 WeakPolarHBondContact O-CB 3.3Å; S396-N399 PolarHBondContact O-N 2.83Å
397	L	91.6	Very high	89.5	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.4	-176.8	-81.8	62.4	0	0	0	113.4	P341 L351 F368 H371 H395 C460 L461	P341-L397 HydrophobicContact CG-CD1 4.32Å; P341-L397 HydrophobicContact CG-CG 4.17Å; L351-L397 HydrophobicContact CD2-CB 4.14Å; F368-L397 HydrophobicContact CB-CD1 3.87Å; F368-L397 HydrophobicContact CD2-CD1 4.44Å; F368-L397 HydrophobicContact CD2-CD2 3.83Å; F368-L397 HydrophobicContact CD2-CG 4.31Å; F368-L397 HydrophobicContact CE2-CD2 4.21Å; F368-L397 HydrophobicContact CG-CD1 4.15Å; F368-L397 HydrophobicContact CG-CD2 4.35Å; F368-L397 HydrophobicContact CG-CG 4.36Å; H371-L397 HydrophobicContact CB-CD1 3.96Å; H395-L397 HydrophobicContact CB-CD1 3.99Å; H395-L397 PolarHBondContact ND1-N 2.86Å; L397-C460 HydrophobicContact CD2-CB 4.03Å; L397-L461 HydrophobicContact CD1-CD2 4.11Å; L397-L461 HydrophobicContact CD2-CD2 4.09Å
398	K	89.3	Confident	89.6	Confident	116 Å²	116	49 Å²	49	50%	0.504	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7.6	-177.3	-63.5	173.5	179.2	164.1	0	113.2	L351 S396 E459	L351-K398 HydrophobicContact CD2-CG 4.29Å; S396-K398 PolarHBondContact O-N 2.82Å; S396-K398 VanDerWaalsContact O-N 3.14Å; K398-E459 IonicContact NZ-OE1 3.39Å; K398-E459 IonicContact NZ-OE2 2.79Å; K398-E459 PolarHBondContact NZ-OE2 2.95Å
399	N	91	Very high	88.5	Confident	34 Å²	34	49.9 Å²	49.9	18%	0.182	26%	0.256	C	S	.	.			trans	-63.4	147.6	179	-75.4	14.7	0	0	0	111.2	V335 M336 R338 P340 S396 R401	V335-N399 PolarHBondContact O-ND2 3.5Å; M336-N399 PolarHBondContact O-ND2 2.89Å; M336-N399 VanDerWaalsContact O-ND2 3.11Å; R338-N399 PolarHBondContact O-ND2 3.19Å; P340-N399 HydrophobicContact CB-CB 4.42Å; P340-N399 WeakPolarHBondContact CB-O 3.17Å; P340-N399 VanDerWaalsContact CG-O 3.25Å; P340-N399 WeakPolarHBondContact CG-O 3.4Å; S396-N399 WeakPolarHBondContact CB-ND2 3.5Å; S396-N399 WeakPolarHBondContact O-CB 3.3Å; S396-N399 PolarHBondContact O-N 2.83Å; N399-R401 PolarHBondContact O-N 2.89Å
400	L	91.1	Very high	86.8	Confident	112 Å²	112	54.9 Å²	54.9	59%	0.586	29%	0.285	S	S	*	.			trans	-86.5	111.3	179.6	-63.9	178.9	0	0	0	110.7	Q402 T403	L400-Q402 PolarHBondContact O-N 2.82Å; L400-T403 PolarHBondContact O-N 2.97Å; L400-T403 PolarHBondContact O-OG1 2.8Å
401	R	94.1	Very high	84.8	Confident	33 Å²	33	62.8 Å²	62.8	13%	0.125	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35.8	172.2	177.6	-175.5	173.9	-163.7	-2.9	112.1	Q141 R142 K144 D145 W148 L339 P340 N399 T403 H404	Q141-R401 PolarHBondContact O-NE 3.32Å; Q141-R401 PolarHBondContact O-NH2 2.73Å; R142-R401 WeakPolarHBondContact CG-O 3.3Å; K144-R401 PolarHBondContact O-NH2 3.12Å; K144-R401 VanDerWaalsContact O-NH2 3.1Å; D145-R401 IonicContact OD1-CZ 3.23Å; D145-R401 IonicContact OD1-NH1 2.89Å; D145-R401 PolarHBondContact OD1-NH1 2.94Å; D145-R401 IonicContact OD1-NH2 3.41Å; D145-R401 PolarHBondContact OD1-NH2 3.26Å; W148-R401 VanDerWaalsContact CD2-CD 3.49Å; W148-R401 HydrophobicContact CD2-CG 4.39Å; W148-R401 HydrophobicContact CG-CG 4.45Å; L339-R401 HydrophobicContact CD2-CB 4.48Å; L339-R401 HydrophobicContact CD2-CG 4.07Å; P340-R401 HydrophobicContact CG-CB 4.11Å; N399-R401 PolarHBondContact O-N 2.89Å; R401-T403 PolarHBondContact O-N 2.76Å; R401-H404 WeakPolarHBondContact O-CB 3.35Å; R401-H404 PolarHBondContact O-N 3.46Å
402	Q	93.1	Very high	82.9	Confident	128 Å²	128	67.2 Å²	67.2	60%	0.598	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-68	-19.6	-173.6	-63.5	81.8	-4.3	0	0	113.9	R142 L400	R142-Q402 WeakPolarHBondContact CD-O 3.46Å; L400-Q402 PolarHBondContact O-N 2.82Å
403	T	93.1	Very high	81.2	Confident	59 Å²	59	74.2 Å²	74.2	36%	0.362	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-110.7	2.9	179.7	56.3	0	0	0	0	112.8	L400 R401 M405 M406	L400-T403 PolarHBondContact O-N 2.97Å; L400-T403 PolarHBondContact O-OG1 2.8Å; R401-T403 PolarHBondContact O-N 2.76Å; T403-M405 PolarHBondContact O-N 3.1Å; T403-M406 WeakPolarHBondContact O-CB 3.32Å; T403-M406 PolarHBondContact O-N 3.45Å
404	H	96.6	Very high	79.7	Confident	5 Å²	5	77.6 Å²	77.6	2%	0.023	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	122.6	-179	-173.8	-126.4	0	0	0	112.4	Q141 E155 V162 H337 L339 R401 M406	Q141-H404 PolarHBondContact NE2-ND1 3.47Å; E155-H404 IonicContact OE1-CE1 3.5Å; E155-H404 IonicContact OE1-NE2 3.9Å; E155-H404 PolarHBondContact OE1-NE2 2.87Å; E155-H404 VanDerWaalsContact OE1-NE2 3.16Å; V162-H404 PolarHBondContact O-CE1 3.03Å; V162-H404 VanDerWaalsContact O-CE1 3.27Å; H337-H404 PolarHBondContact O-CD2 3.12Å; H337-H404 PolarHBondContact O-NE2 3.27Å; L339-H404 HydrophobicContact CD2-CB 3.65Å; L339-H404 VanDerWaalsContact CD2-CG 3.4Å; L339-H404 WeakPolarHBondContact CD2-ND1 3.49Å; L339-H404 HydrophobicContact CG-CB 4.4Å; L339-H404 VanDerWaalsContact CG-CE1 3.45Å; L339-H404 WeakPolarHBondContact CG-CE1 3.49Å; L339-H404 WeakPolarHBondContact CG-ND1 3.41Å; R401-H404 WeakPolarHBondContact O-CB 3.35Å; R401-H404 PolarHBondContact O-N 3.46Å; H404-M406 PolarHBondContact O-N 2.91Å
405	M	96.1	Very high	78.3	Confident	58 Å²	58	82.9 Å²	82.9	29%	0.286	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	24.9	-179.6	-55.8	-59.9	-74.2	0	0	115.4	Q139 L161 T403	Q139-M405 VanDerWaalsContact CD-CB 3.43Å; Q139-M405 HydrophobicContact CG-CB 3.86Å; L161-M405 HydrophobicContact CB-CE 4.13Å; L161-M405 HydrophobicContact CB-SD 3.88Å; L161-M405 HydrophobicContact CD1-CE 4.42Å; L161-M405 HydrophobicContact CD1-SD 3.92Å; L161-M405 HydrophobicContact CG-SD 4.35Å; T403-M405 PolarHBondContact O-N 3.1Å
406	M	93.7	Very high	77.8	Confident	43 Å²	43	83 Å²	83	21%	0.212	44%	0.44	C	S	.	.	S	Bend	trans	-98.9	2.4	179.8	-60.7	-54	-60.7	0	0	114.6	K98 Q139 T403 H404	K98-M406 HydrophobicContact CD-CE 4.42Å; K98-M406 HydrophobicContact CG-CE 3.57Å; K98-M406 WeakPolarHBondContact O-CE 3.42Å; Q139-M406 HydrophobicContact CB-SD 3.81Å; Q139-M406 HydrophobicContact CG-SD 3.48Å; Q139-M406 WeakPolarHBondContact CG-SD 3.32Å; T403-M406 WeakPolarHBondContact O-CB 3.32Å; T403-M406 PolarHBondContact O-N 3.45Å; H404-M406 PolarHBondContact O-N 2.91Å
407	G	81.6	Confident	77.8	Confident	60 Å²	60	84.3 Å²	84.3	62%	0.619	45%	0.447	S	S	*	.			trans	83.7	174.2	-172.7	0	0	0	0	0	112.6	D409	G407-D409 PolarHBondContact O-N 3.09Å
408	K	65.3	Low	77.8	Confident	159 Å²	159	89.1 Å²	89.1	69%	0.691	46%	0.464	S	S	*	.			trans	-71.1	124.9	-175.3	-65.1	-175.5	178.2	-175.9	0	111.5
409	D	50.6	Low	78	Confident	125 Å²	125	84.2 Å²	84.2	67%	0.668	44%	0.443	S	S	*	.			trans	-87.2	122.7	137.5	-72	-36.6	0	0	0	104.8	G407 E411	G407-D409 PolarHBondContact O-N 3.09Å; D409-E411 PolarHBondContact O-N 3.01Å
410	D	45.3	Very low	78	Confident	148 Å²	148	86 Å²	86	79%	0.791	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	18.8	-163	-77.7	-43.3	0	0	0	116.7
411	E	47.4	Very low	78	Confident	180 Å²	180	84.2 Å²	84.2	84%	0.841	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	29.5	-167.3	-64	-173.8	172.3	0	0	115.2	D409 E413	D409-E411 PolarHBondContact O-N 3.01Å; E411-E413 PolarHBondContact O-N 3.46Å
412	A	52.7	Low	77.9	Confident	93 Å²	93	86.2 Å²	86.2	77%	0.769	47%	0.466	S	S	*	.			trans	-74.8	94.7	164.1	0	0	0	0	0	109.3	L414	A412-L414 PolarHBondContact O-N 3.29Å
413	E	55.7	Low	78	Confident	157 Å²	157	80.6 Å²	80.6	73%	0.734	44%	0.44	S	S	*	.			trans	-58.1	121	173.4	-77.8	-176	163.3	0	0	110.4	E411 H415	E411-E413 PolarHBondContact O-N 3.46Å; E413-H415 VanDerWaalsContact CB-CE1 3.44Å; E413-H415 WeakPolarHBondContact CB-CE1 3.32Å; E413-H415 PolarHBondContact O-N 3.24Å; E413-H415 PolarHBondContact O-ND1 3.17Å; E413-H415 IonicContact OE2-CE1 3.07Å; E413-H415 PolarHBondContact OE2-CE1 2.86Å; E413-H415 IonicContact OE2-NE2 3.61Å
414	L	63.1	Low	77.9	Confident	73 Å²	73	79.5 Å²	79.5	38%	0.382	43%	0.432	S	S	.	.			trans	-68.4	98.7	176.2	-95.8	130.4	0	0	0	110.6	K332 M336 Y394 A412	K332-L414 HydrophobicContact CD-CD2 4.35Å; K332-L414 HydrophobicContact CG-CD2 4.13Å; M336-L414 HydrophobicContact CG-CD2 4.18Å; M336-L414 HydrophobicContact CG-CG 4.48Å; M336-L414 HydrophobicContact SD-CD1 3.6Å; M336-L414 VanDerWaalsContact SD-CD1 3.6Å; M336-L414 HydrophobicContact SD-CD2 3.71Å; M336-L414 HydrophobicContact SD-CG 3.69Å; Y394-L414 HydrophobicContact CD1-CD2 3.7Å; Y394-L414 HydrophobicContact CE1-CB 4.47Å; Y394-L414 HydrophobicContact CE1-CD2 3.27Å; Y394-L414 HydrophobicContact CE1-CG 4.5Å; Y394-L414 HydrophobicContact CE2-CD2 4.45Å; Y394-L414 HydrophobicContact CG-CD2 4.45Å; A412-L414 PolarHBondContact O-N 3.29Å
415	H	66.3	Low	77.8	Confident	135 Å²	135	83.3 Å²	83.3	63%	0.625	45%	0.452	S	S	*	.			trans	-93.2	102	169	-65.6	78.5	0	0	0	108.3	E413	E413-H415 VanDerWaalsContact CB-CE1 3.44Å; E413-H415 WeakPolarHBondContact CB-CE1 3.32Å; E413-H415 PolarHBondContact O-N 3.24Å; E413-H415 PolarHBondContact O-ND1 3.17Å; E413-H415 IonicContact OE2-CE1 3.07Å; E413-H415 PolarHBondContact OE2-CE1 2.86Å; E413-H415 IonicContact OE2-NE2 3.61Å
416	G	83	Confident	77.8	Confident	21 Å²	21	80.5 Å²	80.5	22%	0.216	44%	0.438	C	S	.	.			trans	-127.2	145.5	173.2	0	0	0	0	0	110.7	I393	I393-G416 CarbonylContact O-C 3.56Å; I393-G416 VanDerWaalsContact O-CA 3.29Å; I393-G416 WeakPolarHBondContact O-CA 3.33Å
417	L	92.4	Very high	77.8	Confident	27 Å²	27	78.5 Å²	78.5	14%	0.141	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.8	172.8	-60.7	172.6	0	0	0	109.6	Y392 I393 F419 S455 L456 E459 L461	Y392-L417 WeakPolarHBondContact CA-O 3.31Å; I393-L417 HydrophobicContact CB-CB 4.29Å; I393-L417 PolarHBondContact N-O 3.41Å; I393-L417 PolarHBondContact O-N 2.99Å; L417-F419 HydrophobicContact CB-CE2 3.71Å; L417-F419 HydrophobicContact CB-CZ 4.25Å; L417-F419 HydrophobicContact CD1-CE2 4.36Å; L417-F419 HydrophobicContact CD1-CZ 4.48Å; L417-S455 VanDerWaalsContact CD1-O 3.31Å; L417-S455 WeakPolarHBondContact CD1-O 3.44Å; L417-L456 HydrophobicContact CD1-CD2 3.87Å; L417-E459 HydrophobicContact CD1-CB 4.26Å; L417-E459 HydrophobicContact CD1-CG 3.82Å; L417-E459 HydrophobicContact CD2-CG 3.79Å; L417-E459 HydrophobicContact CG-CG 3.89Å; L417-L461 HydrophobicContact CD1-CD1 4.39Å
418	R	92.6	Very high	78.4	Confident	105 Å²	105	81 Å²	81	40%	0.396	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.2	-177.3	-52.8	-176.2	-149.3	-174.5	6.7	109.9	N381 I391 Y392	N381-R418 PolarHBondContact ND2-NH1 3.3Å; N381-R418 PolarHBondContact OD1-NH1 3.28Å; I391-R418 WeakPolarHBondContact O-CA 3.16Å; Y392-R418 HydrophobicContact CD1-CG 3.87Å; Y392-R418 HydrophobicContact CE1-CG 3.69Å
419	F	93.1	Very high	79.7	Confident	14 Å²	14	75.4 Å²	75.4	6%	0.061	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.9	177	-61.3	-78.5	0	0	0	111.2	I391 I393 L417 H423 L452 L456	I391-F419 HydrophobicContact CB-CB 4.48Å; I391-F419 PolarHBondContact N-O 3.19Å; I391-F419 PolarHBondContact O-N 2.9Å; I393-F419 HydrophobicContact CD1-CD2 3.84Å; I393-F419 HydrophobicContact CD1-CE2 3.72Å; I393-F419 HydrophobicContact CG1-CD2 4.32Å; I393-F419 HydrophobicContact CG1-CE2 4.41Å; L417-F419 HydrophobicContact CB-CE2 3.71Å; L417-F419 HydrophobicContact CB-CZ 4.25Å; L417-F419 HydrophobicContact CD1-CE2 4.36Å; L417-F419 HydrophobicContact CD1-CZ 4.48Å; F419-H423 HydrophobicContact CB-CB 4.05Å; F419-H423 AromaticContact CD1-CD2 3.98Å; F419-L452 HydrophobicContact CD1-CD1 3.92Å; F419-L452 HydrophobicContact CD2-CD1 4.34Å; F419-L452 HydrophobicContact CE1-CD1 3.62Å; F419-L452 HydrophobicContact CE2-CD1 4.07Å; F419-L452 HydrophobicContact CG-CD1 4.27Å; F419-L452 HydrophobicContact CZ-CD1 3.7Å; F419-L456 HydrophobicContact CE2-CD2 4.39Å
420	P	92.2	Very high	81.8	Confident	70 Å²	70	69.6 Å²	69.6	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	151.1	170.1	-21.5	32.4	0	0	0	111.8	S422 H423	P420-S422 PolarHBondContact O-N 3.2Å; P420-H423 WeakPolarHBondContact O-CB 3.01Å; P420-H423 PolarHBondContact O-N 3.05Å
421	L	90.2	Very high	84.1	Confident	76 Å²	76	64.2 Å²	64.2	40%	0.398	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.7	176.3	-84.1	175.7	0	0	0	113.9	V376 K389 I391 H423 L424	V376-L421 HydrophobicContact CG1-CD2 3.83Å; K389-L421 HydrophobicContact CB-CD1 3.51Å; K389-L421 HydrophobicContact CB-CG 4.1Å; K389-L421 HydrophobicContact CD-CD1 4.49Å; K389-L421 WeakPolarHBondContact O-CG 3.46Å; I391-L421 HydrophobicContact CG1-CD2 3.98Å; L421-H423 PolarHBondContact O-N 3.44Å; L421-H423 VanDerWaalsContact O-N 3.11Å; L421-L424 WeakPolarHBondContact O-CB 3.48Å; L421-L424 PolarHBondContact O-N 2.91Å; L421-L424 VanDerWaalsContact O-N 3.13Å
422	S	91.9	Very high	86	Confident	74 Å²	74	59 Å²	59	52%	0.517	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.4	-21.6	175.8	59.5	0	0	0	0	113.4	P420 L424	P420-S422 PolarHBondContact O-N 3.2Å; S422-L424 VanDerWaalsContact C-N 3.29Å; S422-L424 PolarHBondContact O-N 3.3Å
423	H	94.9	Very high	87.1	Confident	11 Å²	11	56.4 Å²	56.4	5%	0.051	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-82.2	-4.6	-178.9	-67.3	45.9	0	0	0	113.5	F419 P420 L421 D425 A426 L427 L443 E448	F419-H423 HydrophobicContact CB-CB 4.05Å; F419-H423 AromaticContact CD1-CD2 3.98Å; P420-H423 WeakPolarHBondContact O-CB 3.01Å; P420-H423 PolarHBondContact O-N 3.05Å; L421-H423 PolarHBondContact O-N 3.44Å; L421-H423 VanDerWaalsContact O-N 3.11Å; H423-D425 VanDerWaalsContact C-N 3.33Å; H423-D425 PolarHBondContact O-N 2.78Å; H423-A426 PolarHBondContact O-N 3.05Å; H423-L427 HydrophobicContact CB-CD1 4.47Å; H423-L427 WeakPolarHBondContact O-CG 3.28Å; H423-L427 PolarHBondContact O-N 3.17Å; H423-L443 HydrophobicContact CB-CD2 4.25Å; H423-E448 IonicContact CE1-OE1 3.98Å
424	L	92.2	Very high	88.5	Confident	36 Å²	36	52.1 Å²	52.1	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-41.3	-173.1	-176	59.9	0	0	0	113.2	I391 L421 S422 L427 K428	I391-L424 HydrophobicContact CD1-CB 3.74Å; I391-L424 HydrophobicContact CD1-CD1 4.12Å; L421-L424 WeakPolarHBondContact O-CB 3.48Å; L421-L424 PolarHBondContact O-N 2.91Å; L421-L424 VanDerWaalsContact O-N 3.13Å; S422-L424 VanDerWaalsContact C-N 3.29Å; S422-L424 PolarHBondContact O-N 3.3Å; L424-L427 PolarHBondContact O-N 2.85Å; L424-K428 HydrophobicContact CG-CD 4.45Å; L424-K428 WeakPolarHBondContact O-CG 3.27Å; L424-K428 PolarHBondContact O-N 2.95Å
425	D	93.3	Very high	90	Very high	84 Å²	84	50.4 Å²	50.4	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-73.7	-33.9	-177.4	-75.7	-18.4	0	0	0	112.7	H423 K428 Q429 K442	H423-D425 VanDerWaalsContact C-N 3.33Å; H423-D425 PolarHBondContact O-N 2.78Å; D425-K428 PolarHBondContact O-N 3.42Å; D425-K428 IonicContact OD1-NZ 3.63Å; D425-K428 PolarHBondContact OD1-NZ 3.16Å; D425-Q429 WeakPolarHBondContact O-CG 3.38Å; D425-Q429 PolarHBondContact O-N 3.42Å; D425-K442 HydrophobicContact CB-CB 4.34Å; D425-K442 HydrophobicContact CB-CD 4.16Å
426	A	95.5	Very high	91.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-41.9	170.9	0	0	0	0	0	111.6	H423 K428 Q429 I430 L441 L443 L452	H423-A426 PolarHBondContact O-N 3.05Å; A426-K428 VanDerWaalsContact C-N 3.34Å; A426-K428 PolarHBondContact O-N 2.65Å; A426-Q429 WeakPolarHBondContact O-CB 3.37Å; A426-Q429 PolarHBondContact O-N 3.31Å; A426-Q429 VanDerWaalsContact O-N 3.12Å; A426-I430 PolarHBondContact O-N 3.15Å; A426-I430 VanDerWaalsContact O-N 3.09Å; A426-L441 HydrophobicContact CB-CB 4.38Å; A426-L441 HydrophobicContact CB-CD2 4.41Å; A426-L443 HydrophobicContact CB-CD1 4.05Å; A426-L443 HydrophobicContact CB-CD2 4.22Å; A426-L443 HydrophobicContact CB-CG 3.77Å; A426-L452 HydrophobicContact CB-CD2 3.82Å
427	L	95.3	Very high	92	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-41.7	173.3	-73.2	170	0	0	0	111.9	I374 I391 I393 H423 L424 Q429 I430 W431 L452 L456	I374-L427 HydrophobicContact CD1-CB 4.3Å; I391-L427 HydrophobicContact CB-CD1 4.49Å; I391-L427 HydrophobicContact CD1-CD1 3.82Å; I391-L427 HydrophobicContact CG2-CD1 3.82Å; I393-L427 HydrophobicContact CD1-CD1 3.95Å; I393-L427 HydrophobicContact CD1-CD2 3.46Å; I393-L427 VanDerWaalsContact CD1-CD2 3.46Å; I393-L427 HydrophobicContact CD1-CG 4.36Å; H423-L427 HydrophobicContact CB-CD1 4.47Å; H423-L427 WeakPolarHBondContact O-CG 3.28Å; H423-L427 PolarHBondContact O-N 3.17Å; L424-L427 PolarHBondContact O-N 2.85Å; L427-Q429 VanDerWaalsContact C-N 3.3Å; L427-Q429 PolarHBondContact O-N 2.91Å; L427-I430 PolarHBondContact O-N 2.99Å; L427-W431 HydrophobicContact CD2-CE3 4.42Å; L427-W431 HydrophobicContact CD2-CZ3 3.87Å; L427-W431 WeakPolarHBondContact O-CB 3.44Å; L427-W431 PolarHBondContact O-N 3.42Å; L427-L452 HydrophobicContact CD2-CD1 3.8Å; L427-L452 HydrophobicContact CG-CD1 4.36Å; L427-L456 HydrophobicContact CD2-CD1 4.18Å
428	K	93.1	Very high	92.2	Very high	112 Å²	112	44.2 Å²	44.2	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-36.8	173.1	-74.5	170.5	-175.6	163.3	0	112.4	L424 D425 A426 W431 S432	L424-K428 HydrophobicContact CG-CD 4.45Å; L424-K428 WeakPolarHBondContact O-CG 3.27Å; L424-K428 PolarHBondContact O-N 2.95Å; D425-K428 PolarHBondContact O-N 3.42Å; D425-K428 IonicContact OD1-NZ 3.63Å; D425-K428 PolarHBondContact OD1-NZ 3.16Å; A426-K428 VanDerWaalsContact C-N 3.34Å; A426-K428 PolarHBondContact O-N 2.65Å; K428-W431 PolarHBondContact O-N 2.85Å; K428-S432 PolarHBondContact O-N 3.49Å; K428-S432 VanDerWaalsContact O-N 3.17Å
429	Q	94.1	Very high	92.4	Very high	41 Å²	41	44.9 Å²	44.9	19%	0.192	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-47.4	174.1	-72.1	172.4	-67.6	0	0	110.9	D425 A426 L427 W431 S432 D440 L441 K442	D425-Q429 WeakPolarHBondContact O-CG 3.38Å; D425-Q429 PolarHBondContact O-N 3.42Å; A426-Q429 WeakPolarHBondContact O-CB 3.37Å; A426-Q429 PolarHBondContact O-N 3.31Å; A426-Q429 VanDerWaalsContact O-N 3.12Å; L427-Q429 VanDerWaalsContact C-N 3.3Å; L427-Q429 PolarHBondContact O-N 2.91Å; Q429-W431 PolarHBondContact O-N 2.83Å; Q429-S432 WeakPolarHBondContact O-CB 3.26Å; Q429-S432 PolarHBondContact O-N 2.91Å; Q429-S432 PolarHBondContact O-OG 3Å; Q429-D440 PolarHBondContact NE2-O 2.8Å; Q429-L441 HydrophobicContact CB-CD2 4.48Å; Q429-K442 HydrophobicContact CG-CD 4.32Å; Q429-K442 VanDerWaalsContact OE1-CG 3.31Å
430	I	94.7	Very high	92.5	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-42	178.6	-63.7	173.9	0	0	0	111.1	L366 A426 L427 S432 G433 L441 L452 L456 L462	L366-I430 HydrophobicContact CB-CG2 4.02Å; L366-I430 HydrophobicContact CD1-CG2 4.1Å; A426-I430 PolarHBondContact O-N 3.15Å; A426-I430 VanDerWaalsContact O-N 3.09Å; L427-I430 PolarHBondContact O-N 2.99Å; I430-S432 PolarHBondContact O-N 3.19Å; I430-G433 PolarHBondContact O-N 3.02Å; I430-L441 HydrophobicContact CD1-CD2 4.08Å; I430-L441 HydrophobicContact CG1-CD2 3.8Å; I430-L452 HydrophobicContact CD1-CD2 4.1Å; I430-L452 HydrophobicContact CD1-CG 4.42Å; I430-L456 HydrophobicContact CD1-CD1 3.73Å; I430-L462 HydrophobicContact CG2-CD2 3.8Å
431	W	93	Very high	92.7	Very high	36 Å²	36	45.5 Å²	45.5	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-73.9	-9.4	-178.9	-100.2	-107.8	0	0	0	115.2	L366 K369 T372 I374 I393 L427 K428 Q429 G433 L456	L366-W431 HydrophobicContact CD1-CD2 4.38Å; L366-W431 HydrophobicContact CD1-CE3 4.16Å; L366-W431 HydrophobicContact CD1-CH2 3.77Å; L366-W431 HydrophobicContact CD1-CZ2 3.99Å; L366-W431 HydrophobicContact CD1-CZ3 3.86Å; L366-W431 HydrophobicContact CD2-CD2 3.62Å; L366-W431 HydrophobicContact CD2-CE3 4.07Å; L366-W431 HydrophobicContact CD2-CG 3.85Å; L366-W431 HydrophobicContact CD2-CZ2 4.2Å; K369-W431 WeakPolarHBondContact CE-O 3.37Å; K369-W431 PolarHBondContact NZ-O 3.28Å; T372-W431 HydrophobicContact CG2-CH2 4.16Å; T372-W431 HydrophobicContact CG2-CZ2 3.51Å; I374-W431 HydrophobicContact CD1-CD2 3.66Å; I374-W431 HydrophobicContact CD1-CE3 3.94Å; I374-W431 HydrophobicContact CD1-CG 4.12Å; I374-W431 HydrophobicContact CD1-CH2 4.22Å; I374-W431 HydrophobicContact CD1-CZ2 3.94Å; I374-W431 HydrophobicContact CD1-CZ3 4.21Å; I374-W431 HydrophobicContact CG1-CZ2 4.02Å; I393-W431 HydrophobicContact CD1-CH2 4.16Å; I393-W431 HydrophobicContact CD1-CZ3 4.49Å; I393-W431 HydrophobicContact CG2-CH2 4.08Å; I393-W431 HydrophobicContact CG2-CZ2 4.33Å; L427-W431 HydrophobicContact CD2-CE3 4.42Å; L427-W431 HydrophobicContact CD2-CZ3 3.87Å; L427-W431 WeakPolarHBondContact O-CB 3.44Å; L427-W431 PolarHBondContact O-N 3.42Å; K428-W431 PolarHBondContact O-N 2.85Å; Q429-W431 PolarHBondContact O-N 2.83Å; W431-G433 PolarHBondContact O-N 3.1Å; W431-L456 HydrophobicContact CH2-CD2 4.24Å; W431-L456 HydrophobicContact CZ3-CD1 4.39Å; W431-L456 HydrophobicContact CZ3-CD2 4.43Å
432	S	87.6	Confident	93	Very high	71 Å²	71	48.3 Å²	48.3	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.7	172	71.7	0	0	0	0	112.3	K428 Q429 I430 S434	K428-S432 PolarHBondContact O-N 3.49Å; K428-S432 VanDerWaalsContact O-N 3.17Å; Q429-S432 WeakPolarHBondContact O-CB 3.26Å; Q429-S432 PolarHBondContact O-N 2.91Å; Q429-S432 PolarHBondContact O-OG 3Å; I430-S432 PolarHBondContact O-N 3.19Å; S432-S434 PolarHBondContact OG-OG 2.92Å; S432-S434 VanDerWaalsContact OG-OG 3.11Å
433	G	74.2	Confident	93.2	Very high	37 Å²	37	45.5 Å²	45.5	38%	0.381	25%	0.25	S	S	.	.			trans	92.5	-9.7	175.9	0	0	0	0	0	114.6	I430 W431	I430-G433 PolarHBondContact O-N 3.02Å; W431-G433 PolarHBondContact O-N 3.1Å
434	S	86.9	Confident	93.1	Very high	68 Å²	68	50.1 Å²	50.1	48%	0.476	28%	0.282	S	S	.	.	S	Bend	trans	-74.1	156.9	168.4	51.8	0	0	0	0	111.2	S432	S432-S434 PolarHBondContact OG-OG 2.92Å; S432-S434 VanDerWaalsContact OG-OG 3.11Å
435	A	93.6	Very high	93.3	Very high	37 Å²	37	51.4 Å²	51.4	31%	0.306	29%	0.291	S	S	.	.			trans	-68.5	133.7	167.7	0	0	0	0	0	109	T363 V364 R365 V465	T363-A435 HydrophobicContact CG2-CB 3.62Å; V364-A435 CarbonylContact O-C 3.55Å; V364-A435 WeakPolarHBondContact O-CA 3.27Å; R365-A435 HydrophobicContact CB-CB 4.45Å; A435-V465 HydrophobicContact CB-CG2 4.19Å
436	V	95	Very high	93.4	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.079	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	-174.3	-177	0	0	0	0	108.9	V364 V438 L441	V364-V436 PolarHBondContact N-O 2.99Å; V364-V436 PolarHBondContact O-N 3.27Å; V436-V438 PolarHBondContact O-N 2.96Å; V436-L441 HydrophobicContact CG1-CD2 3.93Å
437	P	96.6	Very high	93.4	Very high	40 Å²	40	57.3 Å²	57.3	26%	0.26	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.8	168.1	-22.7	35.3	0	0	0	110.1	E439 D440	P437-E439 HydrophobicContact CB-CG 4.04Å; P437-E439 PolarHBondContact O-N 3.14Å; P437-D440 HydrophobicContact CB-CB 4.29Å; P437-D440 WeakPolarHBondContact CG-OD2 3.43Å; P437-D440 PolarHBondContact O-N 2.82Å
438	V	96.3	Very high	93.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-61.9	-35.3	-176.5	174.5	0	0	0	0	111.2	T359 L360 S362 V364 V436 D440 L441 K449 V453	T359-V438 WeakPolarHBondContact O-CB 3.25Å; T359-V438 WeakPolarHBondContact O-CG2 3.44Å; L360-V438 HydrophobicContact CD2-CG1 4.29Å; S362-V438 WeakPolarHBondContact O-CG2 3.35Å; S362-V438 PolarHBondContact O-N 3.22Å; V364-V438 HydrophobicContact CG1-CG2 3.83Å; V364-V438 HydrophobicContact CG2-CG2 4.03Å; V436-V438 PolarHBondContact O-N 2.96Å; V438-D440 PolarHBondContact O-N 3.2Å; V438-L441 HydrophobicContact CG1-CD1 4.23Å; V438-L441 WeakPolarHBondContact O-CB 3.47Å; V438-L441 WeakPolarHBondContact O-CG 3.42Å; V438-L441 PolarHBondContact O-N 2.96Å; V438-K449 HydrophobicContact CG1-CB 4.12Å; V438-K449 WeakPolarHBondContact O-CD 3.25Å; V438-V453 HydrophobicContact CG1-CG2 4.04Å; V438-V453 HydrophobicContact CG2-CG1 4.13Å; V438-V453 HydrophobicContact CG2-CG2 4.02Å
439	E	96.4	Very high	93.6	Very high	118 Å²	118	55.5 Å²	55.5	55%	0.551	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.9	-27.6	175.5	62.3	-177.7	176	0	0	114.5	L360 P437 L441 K449	L360-E439 PolarHBondContact O-N 3.15Å; P437-E439 HydrophobicContact CB-CG 4.04Å; P437-E439 PolarHBondContact O-N 3.14Å; E439-L441 VanDerWaalsContact C-N 3.34Å; E439-K449 WeakPolarHBondContact O-CE 3.49Å; E439-K449 PolarHBondContact O-NZ 3.2Å
440	D	95.9	Very high	93.6	Very high	94 Å²	94	59.3 Å²	59.3	50%	0.503	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-87.1	-1.6	-177	-71.5	-22.3	0	0	0	113.6	Q429 P437 V438 K442	Q429-D440 PolarHBondContact NE2-O 2.8Å; P437-D440 HydrophobicContact CB-CB 4.29Å; P437-D440 WeakPolarHBondContact CG-OD2 3.43Å; P437-D440 PolarHBondContact O-N 2.82Å; V438-D440 PolarHBondContact O-N 3.2Å; D440-K442 PolarHBondContact O-N 3.43Å
441	L	96.4	Very high	93.7	Very high	4 Å²	4	63 Å²	63	2%	0.021	34%	0.344	C	S	.	.	S	Bend	trans	-63.9	133.4	176.4	-68.9	174.6	0	0	0	110.5	A426 Q429 I430 V436 V438 E439 L443 K449 L452 V453	A426-L441 HydrophobicContact CB-CB 4.38Å; A426-L441 HydrophobicContact CB-CD2 4.41Å; Q429-L441 HydrophobicContact CB-CD2 4.48Å; I430-L441 HydrophobicContact CD1-CD2 4.08Å; I430-L441 HydrophobicContact CG1-CD2 3.8Å; V436-L441 HydrophobicContact CG1-CD2 3.93Å; V438-L441 HydrophobicContact CG1-CD1 4.23Å; V438-L441 WeakPolarHBondContact O-CB 3.47Å; V438-L441 WeakPolarHBondContact O-CG 3.42Å; V438-L441 PolarHBondContact O-N 2.96Å; E439-L441 VanDerWaalsContact C-N 3.34Å; L441-L443 PolarHBondContact O-N 3.27Å; L441-K449 HydrophobicContact CB-CD 4.38Å; L441-K449 HydrophobicContact CB-CG 4.02Å; L441-K449 HydrophobicContact CD1-CB 4.44Å; L441-K449 VanDerWaalsContact O-CE 3.26Å; L441-K449 WeakPolarHBondContact O-CE 3.38Å; L441-L452 HydrophobicContact CD1-CD2 4.48Å; L441-V453 HydrophobicContact CD1-CG2 3.49Å; L441-V453 VanDerWaalsContact CD1-CG2 3.49Å
442	K	96.1	Very high	93.8	Very high	134 Å²	134	61.4 Å²	61.4	58%	0.583	34%	0.338	S	S	*	.	S	Bend	trans	-73.3	66.1	179.9	-72.5	171.6	-178.7	-175.1	0	111.4	D425 Q429 D440	D425-K442 HydrophobicContact CB-CB 4.34Å; D425-K442 HydrophobicContact CB-CD 4.16Å; Q429-K442 HydrophobicContact CG-CD 4.32Å; Q429-K442 VanDerWaalsContact OE1-CG 3.31Å; D440-K442 PolarHBondContact O-N 3.43Å
443	L	96.4	Very high	94.2	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	32%	0.315	C	S	.	.			trans	-130.1	145	173.9	-70.2	168.9	0	0	0	109.1	H423 A426 L441 T445 E448 K449 L452	H423-L443 HydrophobicContact CB-CD2 4.25Å; A426-L443 HydrophobicContact CB-CD1 4.05Å; A426-L443 HydrophobicContact CB-CD2 4.22Å; A426-L443 HydrophobicContact CB-CG 3.77Å; L441-L443 PolarHBondContact O-N 3.27Å; L443-T445 VanDerWaalsContact C-N 3.31Å; L443-T445 PolarHBondContact O-N 3.04Å; L443-E448 HydrophobicContact CB-CB 4.15Å; L443-E448 HydrophobicContact CD1-CB 4.08Å; L443-E448 HydrophobicContact CG-CB 4.49Å; L443-K449 HydrophobicContact CB-CG 3.85Å; L443-K449 HydrophobicContact CD1-CG 4.22Å; L443-K449 WeakPolarHBondContact O-CE 3.39Å; L443-L452 HydrophobicContact CD1-CB 4.12Å; L443-L452 HydrophobicContact CD1-CD2 3.74Å
444	P	92.3	Very high	95.2	Very high	109 Å²	109	59.8 Å²	59.8	71%	0.708	31%	0.314	S	S	*	.	S	Bend	trans	-70.7	-26.2	-171.5	21.2	-24.5	0	0	0	113.3	E448	P444-E448 WeakPolarHBondContact CD-OE2 3.27Å; P444-E448 WeakPolarHBondContact CG-OE2 3.24Å
445	T	96.1	Very high	95.6	Very high	63 Å²	63	58.5 Å²	58.5	39%	0.387	31%	0.305	S	S	.	.	S	Bend	trans	-125.3	148.9	-178.3	71	0	0	0	0	113.3	L443 E447 E448 K449	L443-T445 VanDerWaalsContact C-N 3.31Å; L443-T445 PolarHBondContact O-N 3.04Å; T445-E447 PolarHBondContact O-N 2.91Å; T445-E448 WeakPolarHBondContact CB-OE2 3.42Å; T445-E448 PolarHBondContact N-OE2 3.33Å; T445-E448 PolarHBondContact O-N 2.96Å; T445-E448 WeakPolarHBondContact OG1-CB 3.35Å; T445-E448 VanDerWaalsContact OG1-CD 3.31Å; T445-E448 VanDerWaalsContact OG1-CG 3.23Å; T445-E448 WeakPolarHBondContact OG1-CG 3.4Å; T445-E448 PolarHBondContact OG1-N 2.92Å; T445-E448 VanDerWaalsContact OG1-N 3.17Å; T445-E448 PolarHBondContact OG1-OE2 3.38Å; T445-K449 WeakPolarHBondContact O-CG 3.39Å; T445-K449 PolarHBondContact O-N 2.94Å
446	D	96.1	Very high	95.7	Very high	81 Å²	81	56.7 Å²	56.7	43%	0.433	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-19.7	174.3	-69.8	-16.3	0	0	0	113.1	L360 K449 R450	L360-D446 HydrophobicContact CD1-CB 3.84Å; L360-D446 HydrophobicContact CD2-CB 3.78Å; L360-D446 HydrophobicContact CG-CB 4.47Å; D446-K449 IonicContact OD1-NZ 3.78Å; D446-K449 PolarHBondContact OD1-NZ 3.26Å; D446-K449 VanDerWaalsContact OD1-NZ 3.07Å; D446-R450 WeakPolarHBondContact O-CG 3.31Å; D446-R450 PolarHBondContact O-N 2.91Å; D446-R450 PolarHBondContact O-NE 2.8Å
447	E	95.3	Very high	95.6	Very high	127 Å²	127	56.9 Å²	56.9	59%	0.593	29%	0.29	S	S	*	.	H	α-helix	trans	-70.4	-47.2	171.7	-173.8	173.3	175.7	0	0	111.2	T445 K449 R450 N451	T445-E447 PolarHBondContact O-N 2.91Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 2.77Å; E447-R450 PolarHBondContact O-N 3.41Å; E447-N451 WeakPolarHBondContact O-CB 3.11Å; E447-N451 VanDerWaalsContact O-CG 3.26Å; E447-N451 PolarHBondContact O-N 2.78Å; E447-N451 PolarHBondContact O-ND2 2.88Å
448	E	95.8	Very high	95.4	Very high	49 Å²	49	58 Å²	58	23%	0.229	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-40.6	176.2	-71.4	164	122.6	0	0	112.1	H423 L443 P444 T445 R450 N451 L452	H423-E448 IonicContact CE1-OE1 3.98Å; L443-E448 HydrophobicContact CB-CB 4.15Å; L443-E448 HydrophobicContact CD1-CB 4.08Å; L443-E448 HydrophobicContact CG-CB 4.49Å; P444-E448 WeakPolarHBondContact CD-OE2 3.27Å; P444-E448 WeakPolarHBondContact CG-OE2 3.24Å; T445-E448 WeakPolarHBondContact CB-OE2 3.42Å; T445-E448 PolarHBondContact N-OE2 3.33Å; T445-E448 PolarHBondContact O-N 2.96Å; T445-E448 WeakPolarHBondContact OG1-CB 3.35Å; T445-E448 VanDerWaalsContact OG1-CD 3.31Å; T445-E448 VanDerWaalsContact OG1-CG 3.23Å; T445-E448 WeakPolarHBondContact OG1-CG 3.4Å; T445-E448 PolarHBondContact OG1-N 2.92Å; T445-E448 VanDerWaalsContact OG1-N 3.17Å; T445-E448 PolarHBondContact OG1-OE2 3.38Å; E448-R450 VanDerWaalsContact C-N 3.34Å; E448-R450 PolarHBondContact O-N 3.3Å; E448-N451 PolarHBondContact O-N 2.82Å; E448-L452 WeakPolarHBondContact O-CB 3.46Å; E448-L452 PolarHBondContact O-N 2.83Å
449	K	97	Very high	95.1	Very high	25 Å²	25	60 Å²	60	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-47	175.6	-63.2	176	-166.7	169.1	0	111.5	L360 V438 E439 L441 L443 T445 D446 E447 V453	L360-K449 HydrophobicContact CD2-CB 4.26Å; L360-K449 HydrophobicContact CD2-CD 4.48Å; V438-K449 HydrophobicContact CG1-CB 4.12Å; V438-K449 WeakPolarHBondContact O-CD 3.25Å; E439-K449 WeakPolarHBondContact O-CE 3.49Å; E439-K449 PolarHBondContact O-NZ 3.2Å; L441-K449 HydrophobicContact CB-CD 4.38Å; L441-K449 HydrophobicContact CB-CG 4.02Å; L441-K449 HydrophobicContact CD1-CB 4.44Å; L441-K449 VanDerWaalsContact O-CE 3.26Å; L441-K449 WeakPolarHBondContact O-CE 3.38Å; L443-K449 HydrophobicContact CB-CG 3.85Å; L443-K449 HydrophobicContact CD1-CG 4.22Å; L443-K449 WeakPolarHBondContact O-CE 3.39Å; T445-K449 WeakPolarHBondContact O-CG 3.39Å; T445-K449 PolarHBondContact O-N 2.94Å; D446-K449 IonicContact OD1-NZ 3.78Å; D446-K449 PolarHBondContact OD1-NZ 3.26Å; D446-K449 VanDerWaalsContact OD1-NZ 3.07Å; E447-K449 VanDerWaalsContact C-N 3.34Å; E447-K449 PolarHBondContact O-N 2.77Å; K449-V453 WeakPolarHBondContact O-CG2 3.45Å; K449-V453 PolarHBondContact O-N 3.46Å
450	R	94.8	Very high	94.9	Very high	122 Å²	122	54.8 Å²	54.8	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-47.5	177.1	-78.7	-179.3	-78	-174	-1.7	111.8	L360 D446 E447 E448 L452 V453 L454	L360-R450 HydrophobicContact CD1-CG 4.29Å; L360-R450 HydrophobicContact CD2-CG 3.93Å; L360-R450 HydrophobicContact CG-CG 3.66Å; D446-R450 WeakPolarHBondContact O-CG 3.31Å; D446-R450 PolarHBondContact O-N 2.91Å; D446-R450 PolarHBondContact O-NE 2.8Å; E447-R450 PolarHBondContact O-N 3.41Å; E448-R450 VanDerWaalsContact C-N 3.34Å; E448-R450 PolarHBondContact O-N 3.3Å; R450-L452 PolarHBondContact O-N 3.24Å; R450-V453 PolarHBondContact O-N 2.91Å; R450-L454 VanDerWaalsContact O-CB 3.23Å; R450-L454 WeakPolarHBondContact O-CB 3.15Å; R450-L454 PolarHBondContact O-N 3.06Å
451	N	95.3	Very high	94.7	Very high	81 Å²	81	50.3 Å²	50.3	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-45.9	-178.3	-71.3	-17.1	0	0	0	111.5	E447 E448 V453 L454 S455	E447-N451 WeakPolarHBondContact O-CB 3.11Å; E447-N451 VanDerWaalsContact O-CG 3.26Å; E447-N451 PolarHBondContact O-N 2.78Å; E447-N451 PolarHBondContact O-ND2 2.88Å; E448-N451 PolarHBondContact O-N 2.82Å; N451-V453 PolarHBondContact O-N 3.28Å; N451-L454 PolarHBondContact O-N 3.21Å; N451-S455 WeakPolarHBondContact O-CB 3.24Å; N451-S455 PolarHBondContact O-N 2.74Å; N451-S455 PolarHBondContact O-OG 3.46Å; N451-S455 VanDerWaalsContact O-OG 3.09Å
452	L	96.4	Very high	94.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-52.1	176.4	172.7	59.8	0	0	0	111.5	F419 A426 L427 I430 L441 L443 E448 R450 S455 L456	F419-L452 HydrophobicContact CD1-CD1 3.92Å; F419-L452 HydrophobicContact CD2-CD1 4.34Å; F419-L452 HydrophobicContact CE1-CD1 3.62Å; F419-L452 HydrophobicContact CE2-CD1 4.07Å; F419-L452 HydrophobicContact CG-CD1 4.27Å; F419-L452 HydrophobicContact CZ-CD1 3.7Å; A426-L452 HydrophobicContact CB-CD2 3.82Å; L427-L452 HydrophobicContact CD2-CD1 3.8Å; L427-L452 HydrophobicContact CG-CD1 4.36Å; I430-L452 HydrophobicContact CD1-CD2 4.1Å; I430-L452 HydrophobicContact CD1-CG 4.42Å; L441-L452 HydrophobicContact CD1-CD2 4.48Å; L443-L452 HydrophobicContact CD1-CB 4.12Å; L443-L452 HydrophobicContact CD1-CD2 3.74Å; E448-L452 WeakPolarHBondContact O-CB 3.46Å; E448-L452 PolarHBondContact O-N 2.83Å; R450-L452 PolarHBondContact O-N 3.24Å; L452-S455 PolarHBondContact O-N 2.86Å; L452-L456 HydrophobicContact CD1-CD1 3.89Å; L452-L456 HydrophobicContact CD1-CG 4.27Å; L452-L456 HydrophobicContact CG-CD1 4.22Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.39Å; L452-L456 VanDerWaalsContact O-N 3.12Å
453	V	95.9	Very high	94.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-40.7	-176.1	172.4	0	0	0	0	111.2	P358 V364 V438 L441 K449 R450 N451 L456 W457 L462	P358-V453 HydrophobicContact CB-CG1 3.39Å; P358-V453 HydrophobicContact CG-CG1 3.69Å; V364-V453 HydrophobicContact CG1-CG1 3.77Å; V364-V453 HydrophobicContact CG2-CG1 4.44Å; V364-V453 HydrophobicContact CG2-CG2 4.41Å; V438-V453 HydrophobicContact CG1-CG2 4.04Å; V438-V453 HydrophobicContact CG2-CG1 4.13Å; V438-V453 HydrophobicContact CG2-CG2 4.02Å; L441-V453 HydrophobicContact CD1-CG2 3.49Å; L441-V453 VanDerWaalsContact CD1-CG2 3.49Å; K449-V453 WeakPolarHBondContact O-CG2 3.45Å; K449-V453 PolarHBondContact O-N 3.46Å; R450-V453 PolarHBondContact O-N 2.91Å; N451-V453 PolarHBondContact O-N 3.28Å; V453-L456 PolarHBondContact O-N 3.1Å; V453-W457 WeakPolarHBondContact O-CB 3.38Å; V453-W457 PolarHBondContact O-N 3.48Å; V453-L462 HydrophobicContact CB-CD1 4.21Å; V453-L462 HydrophobicContact CG1-CD1 3.73Å; V453-L462 HydrophobicContact CG2-CD1 4.39Å
454	L	95	Very high	94	Very high	72 Å²	72	48.1 Å²	48.1	38%	0.377	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-45.6	177.5	-172.4	65.3	0	0	0	111.2	F357 R450 N451 L456 W457 T458	F357-L454 HydrophobicContact CD1-CD1 4.47Å; R450-L454 VanDerWaalsContact O-CB 3.23Å; R450-L454 WeakPolarHBondContact O-CB 3.15Å; R450-L454 PolarHBondContact O-N 3.06Å; N451-L454 PolarHBondContact O-N 3.21Å; L454-L456 PolarHBondContact O-N 3.29Å; L454-W457 HydrophobicContact CD1-CE3 4.09Å; L454-W457 HydrophobicContact CD1-CZ3 4.38Å; L454-W457 PolarHBondContact O-N 3.02Å; L454-T458 WeakPolarHBondContact O-CG2 3.37Å; L454-T458 PolarHBondContact O-N 3.34Å; L454-T458 PolarHBondContact O-OG1 3.34Å
455	S	95.3	Very high	93.8	Very high	41 Å²	41	47.3 Å²	47.3	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-40.7	178.2	-66.8	0	0	0	0	113.2	L417 N451 L452 T458	L417-S455 VanDerWaalsContact CD1-O 3.31Å; L417-S455 WeakPolarHBondContact CD1-O 3.44Å; N451-S455 WeakPolarHBondContact O-CB 3.24Å; N451-S455 PolarHBondContact O-N 2.74Å; N451-S455 PolarHBondContact O-OG 3.46Å; N451-S455 VanDerWaalsContact O-OG 3.09Å; L452-S455 PolarHBondContact O-N 2.86Å; S455-T458 WeakPolarHBondContact CA-OG1 3.47Å; S455-T458 PolarHBondContact O-OG1 3.1Å
456	L	94.6	Very high	93.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-39.1	175.3	-68.6	172.1	0	0	0	111.7	I393 L417 F419 L427 I430 W431 L452 V453 L454 E459 L461 L462	I393-L456 HydrophobicContact CD1-CD2 3.79Å; L417-L456 HydrophobicContact CD1-CD2 3.87Å; F419-L456 HydrophobicContact CE2-CD2 4.39Å; L427-L456 HydrophobicContact CD2-CD1 4.18Å; I430-L456 HydrophobicContact CD1-CD1 3.73Å; W431-L456 HydrophobicContact CH2-CD2 4.24Å; W431-L456 HydrophobicContact CZ3-CD1 4.39Å; W431-L456 HydrophobicContact CZ3-CD2 4.43Å; L452-L456 HydrophobicContact CD1-CD1 3.89Å; L452-L456 HydrophobicContact CD1-CG 4.27Å; L452-L456 HydrophobicContact CG-CD1 4.22Å; L452-L456 WeakPolarHBondContact O-CG 3.24Å; L452-L456 PolarHBondContact O-N 3.39Å; L452-L456 VanDerWaalsContact O-N 3.12Å; V453-L456 PolarHBondContact O-N 3.1Å; L454-L456 PolarHBondContact O-N 3.29Å; L456-E459 PolarHBondContact O-N 3.31Å; L456-L461 HydrophobicContact CB-CB 4.48Å; L456-L461 HydrophobicContact CD2-CD1 4.04Å; L456-L461 WeakPolarHBondContact O-CB 3.36Å; L456-L461 PolarHBondContact O-N 3.33Å; L456-L462 HydrophobicContact CB-CD1 3.57Å; L456-L462 HydrophobicContact CB-CG 3.7Å; L456-L462 HydrophobicContact CD1-CD1 4.01Å; L456-L462 HydrophobicContact CD1-CG 4.41Å; L456-L462 HydrophobicContact CG-CD1 4.44Å
457	W	94.1	Very high	93.5	Very high	17 Å²	17	44.7 Å²	44.7	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-36.7	178.1	175.4	92.4	0	0	0	112.7	P353 G354 K356 F357 P358 V453 L454 E459 C460 L462	P353-W457 HydrophobicContact CB-CD2 3.73Å; P353-W457 HydrophobicContact CB-CE3 3.73Å; P353-W457 HydrophobicContact CB-CH2 3.55Å; P353-W457 HydrophobicContact CB-CZ2 3.61Å; P353-W457 HydrophobicContact CB-CZ3 3.6Å; P353-W457 HydrophobicContact CG-CE3 4.29Å; P353-W457 HydrophobicContact CG-CH2 4.47Å; P353-W457 HydrophobicContact CG-CZ3 4.15Å; G354-W457 WeakPolarHBondContact O-CZ2 3.26Å; K356-W457 PolarHBondContact O-NE1 2.82Å; F357-W457 AromaticContact CD1-CH2 3.43Å; F357-W457 HydrophobicContact CD1-CH2 3.43Å; F357-W457 VanDerWaalsContact CD1-CH2 3.43Å; F357-W457 HydrophobicContact CD1-CZ2 4.02Å; F357-W457 AromaticContact CD1-CZ3 3.82Å; F357-W457 HydrophobicContact CD1-CZ3 3.82Å; F357-W457 AromaticContact CE1-CH2 3.32Å; F357-W457 HydrophobicContact CE1-CH2 3.32Å; F357-W457 HydrophobicContact CE1-CZ2 4.27Å; F357-W457 AromaticContact CE1-CZ3 3.69Å; F357-W457 HydrophobicContact CE1-CZ3 3.69Å; F357-W457 HydrophobicContact CE2-CH2 4.46Å; F357-W457 HydrophobicContact CG-CH2 4.08Å; F357-W457 HydrophobicContact CG-CZ2 4.27Å; F357-W457 AromaticContact CZ-CH2 3.87Å; F357-W457 HydrophobicContact CZ-CH2 3.87Å; P358-W457 HydrophobicContact CG-CB 3.95Å; P358-W457 HydrophobicContact CG-CD2 4.29Å; P358-W457 HydrophobicContact CG-CG 3.88Å; V453-W457 WeakPolarHBondContact O-CB 3.38Å; V453-W457 PolarHBondContact O-N 3.48Å; L454-W457 HydrophobicContact CD1-CE3 4.09Å; L454-W457 HydrophobicContact CD1-CZ3 4.38Å; L454-W457 PolarHBondContact O-N 3.02Å; W457-E459 PolarHBondContact O-N 2.83Å; W457-C460 WeakPolarHBondContact O-CA 3.22Å; W457-C460 PolarHBondContact O-N 2.98Å; W457-L462 HydrophobicContact CB-CB 4.25Å
458	T	91.8	Very high	93.4	Very high	63 Å²	63	40.1 Å²	40.1	39%	0.387	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-23.7	175.9	47.6	0	0	0	0	113	L454 S455	L454-T458 WeakPolarHBondContact O-CG2 3.37Å; L454-T458 PolarHBondContact O-N 3.34Å; L454-T458 PolarHBondContact O-OG1 3.34Å; S455-T458 WeakPolarHBondContact CA-OG1 3.47Å; S455-T458 PolarHBondContact O-OG1 3.1Å
459	E	91.2	Very high	93.3	Very high	42 Å²	42	39.6 Å²	39.6	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	15.5	174	-64.3	-57.7	149.2	0	0	113.2	H395 K398 L417 L456 W457 L461	H395-E459 IonicContact CE1-OE2 2.65Å; H395-E459 IonicContact NE2-OE2 3.33Å; H395-E459 PolarHBondContact NE2-OE2 2.89Å; K398-E459 IonicContact NZ-OE1 3.39Å; K398-E459 IonicContact NZ-OE2 2.79Å; K398-E459 PolarHBondContact NZ-OE2 2.95Å; L417-E459 HydrophobicContact CD1-CB 4.26Å; L417-E459 HydrophobicContact CD1-CG 3.82Å; L417-E459 HydrophobicContact CD2-CG 3.79Å; L417-E459 HydrophobicContact CG-CG 3.89Å; L456-E459 PolarHBondContact O-N 3.31Å; W457-E459 PolarHBondContact O-N 2.83Å; E459-L461 HydrophobicContact CB-CD1 4.25Å; E459-L461 HydrophobicContact CB-CG 4.04Å; E459-L461 PolarHBondContact O-N 2.87Å
460	C	91.4	Very high	93	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.061	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	23.6	-179.6	-54.4	0	0	0	0	114.1	L351 L397 W457	L351-C460 PolarHBondContact O-SG 2.95Å; L397-C460 HydrophobicContact CD2-CB 4.03Å; W457-C460 WeakPolarHBondContact O-CA 3.22Å; W457-C460 PolarHBondContact O-N 2.98Å
461	L	92.3	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.			trans	-88.3	-11	-179.6	-55.5	-179.8	0	0	0	112.7	L366 Q367 T372 I393 H395 L397 L417 L456 E459	L366-L461 WeakPolarHBondContact CD1-O 3.47Å; Q367-L461 PolarHBondContact N-O 2.74Å; T372-L461 HydrophobicContact CG2-CD1 4.17Å; I393-L461 HydrophobicContact CG2-CD1 4.23Å; H395-L461 HydrophobicContact CB-CD2 3.98Å; L397-L461 HydrophobicContact CD1-CD2 4.11Å; L397-L461 HydrophobicContact CD2-CD2 4.09Å; L417-L461 HydrophobicContact CD1-CD1 4.39Å; L456-L461 HydrophobicContact CB-CB 4.48Å; L456-L461 HydrophobicContact CD2-CD1 4.04Å; L456-L461 WeakPolarHBondContact O-CB 3.36Å; L456-L461 PolarHBondContact O-N 3.33Å; E459-L461 HydrophobicContact CB-CD1 4.25Å; E459-L461 HydrophobicContact CB-CG 4.04Å; E459-L461 PolarHBondContact O-N 2.87Å
462	L	92.6	Very high	92.8	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.1	-179.2	-66	-177.6	0	0	0	112.3	V364 R365 L366 I430 V453 L456 W457	V364-L462 HydrophobicContact CB-CD1 4.4Å; V364-L462 HydrophobicContact CG2-CD1 4.38Å; R365-L462 WeakPolarHBondContact O-CA 3.45Å; L366-L462 HydrophobicContact CD1-CD2 4.34Å; I430-L462 HydrophobicContact CG2-CD2 3.8Å; V453-L462 HydrophobicContact CB-CD1 4.21Å; V453-L462 HydrophobicContact CG1-CD1 3.73Å; V453-L462 HydrophobicContact CG2-CD1 4.39Å; L456-L462 HydrophobicContact CB-CD1 3.57Å; L456-L462 HydrophobicContact CB-CG 3.7Å; L456-L462 HydrophobicContact CD1-CD1 4.01Å; L456-L462 HydrophobicContact CD1-CG 4.41Å; L456-L462 HydrophobicContact CG-CD1 4.44Å; W457-L462 HydrophobicContact CB-CB 4.25Å
463	H	90.3	Very high	92.5	Very high	88 Å²	88	34.2 Å²	34.2	41%	0.407	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132	167.3	-176.3	-94	0	0	0	110.4	V364 R365 Q367	V364-H463 CarbonylContact C-O 3.52Å; V364-H463 WeakPolarHBondContact CA-O 3.36Å; R365-H463 PolarHBondContact N-O 3.05Å; R365-H463 PolarHBondContact O-N 3.22Å; Q367-H463 HydrophobicContact CG-CB 3.75Å
464	V	90.6	Very high	92.2	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.085	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.4	170	-175.5	0	0	0	0	108.7	K356 P358 V364	K356-V464 HydrophobicContact CD-CB 4.21Å; K356-V464 HydrophobicContact CD-CG1 3.72Å; K356-V464 HydrophobicContact CG-CB 4.43Å; K356-V464 HydrophobicContact CG-CG1 4.18Å; K356-V464 WeakPolarHBondContact O-CG2 3.13Å; P358-V464 HydrophobicContact CB-CG2 3.84Å; V364-V464 HydrophobicContact CG1-CG2 4.4Å
465	V	87.2	Confident	91.9	Very high	92 Å²	92	33.6 Å²	33.6	56%	0.558	19%	0.188	S	C	*	.			trans	-74	0	-177.4	-176	0	0	0	0	111.8	K356 T363 R365 A435	K356-V465 PolarHBondContact NZ-O 2.67Å; T363-V465 HydrophobicContact CG2-CB 4.38Å; T363-V465 HydrophobicContact CG2-CG2 4.49Å; T363-V465 PolarHBondContact O-N 3.11Å; R365-V465 HydrophobicContact CB-CG2 4.05Å; A435-V465 HydrophobicContact CB-CG2 4.19Å

Retrieved 465 of 465 residues in 507.9 ms (Link to these results)

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