A0A087Y7F5_POEFO Loading...

Serpin peptidase inhibitor, clade E (nexin, plasminogen activator inhibitor type 1), member 2

AlphaFold DB , UniProt , Accession A0A087Y7F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	26	Very low	250 Å²	250	152.3 Å²	152.3	100%	1.232	81%	0.812	S	S	*	*				0	89.4	0	-163.3	174.5	-107.4	0	0	106.5
2	F	23.4	Very low	26	Very low	203 Å²	203	152.7 Å²	152.7	89%	0.89	81%	0.813	S	S	*	*			trans	-93.6	166.4	-177.5	-112.1	-91.9	0	0	0	109.1
3	V	24.4	Very low	25.8	Very low	127 Å²	127	152.5 Å²	152.5	77%	0.77	81%	0.812	S	S	*	*			trans	84.8	134.5	158.1	-177.3	0	0	0	0	115.1
4	T	23.7	Very low	25.8	Very low	106 Å²	106	153.1 Å²	153.1	65%	0.65	80%	0.804	S	S	*	*			cis	-171.9	140.4	-10.5	-87.2	0	0	0	0	106.5
5	V	28.5	Very low	25.7	Very low	138 Å²	138	147.5 Å²	147.5	84%	0.836	80%	0.798	S	S	*	*			trans	-74.5	123	164	170.7	0	0	0	0	108.4
6	C	22.6	Very low	25.7	Very low	120 Å²	120	148.3 Å²	148.3	81%	0.811	79%	0.792	S	S	*	*			trans	-136.6	124.4	161.1	-102.8	0	0	0	0	111
7	K	24.8	Very low	25.7	Very low	189 Å²	189	146.8 Å²	146.8	82%	0.822	80%	0.796	S	S	*	*			trans	-59.7	149.2	168.6	-75.5	168.8	167.9	173.7	0	111.2
8	F	23.5	Very low	25.7	Very low	212 Å²	212	148.2 Å²	148.2	93%	0.93	79%	0.794	S	S	*	*			trans	-134.8	111.9	134.3	-113.9	-86.7	0	0	0	109
9	S	24	Very low	25.6	Very low	81 Å²	81	146.2 Å²	146.2	57%	0.566	79%	0.793	S	S	*	*			trans	-76.7	141.8	159.7	177.6	0	0	0	0	107.6
10	D	24.5	Very low	25.7	Very low	134 Å²	134	144.7 Å²	144.7	72%	0.717	79%	0.788	S	S	*	*				167.1	116.8	121.5	-83.8	-12.7	0	0	0	112.8
11	T	26.5	Very low	25.7	Very low	115 Å²	115	144.5 Å²	144.5	71%	0.706	79%	0.786	S	S	*	*			trans	38.2	109.5	138.7	46	0	0	0	0	120
12	L	26	Very low	25.5	Very low	157 Å²	157	140.3 Å²	140.3	82%	0.822	76%	0.764	S	S	*	*			trans	-130.6	76.8	134.8	-94.2	162.4	0	0	0	108.6	F14	L12-F14 HydrophobicContact CD2-CD2 3.62Å; L12-F14 HydrophobicContact CD2-CE2 3.63Å; L12-F14 PolarHBondContact O-N 3.14Å
13	N	23.6	Very low	25.8	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	75%	0.751	S	S	*	*			trans	-72.4	108	156.3	-117.3	-13.3	0	0	0	106.9
14	F	26.5	Very low	26.5	Very low	160 Å²	160	137.4 Å²	137.4	70%	0.702	75%	0.748	S	S	*	*			trans	-125.3	94.9	154.6	-90.3	-78.2	0	0	0	107.7	L12 F16	L12-F14 HydrophobicContact CD2-CD2 3.62Å; L12-F14 HydrophobicContact CD2-CE2 3.63Å; L12-F14 PolarHBondContact O-N 3.14Å; F14-F16 HydrophobicContact CD1-CE2 4.27Å; F14-F16 PolarHBondContact O-N 3.24Å
15	G	24.3	Very low	26.8	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	75%	0.746	S	S	*	*			trans	-65.7	126.3	161.9	0	0	0	0	0	109.2
16	F	25.2	Very low	27.1	Very low	161 Å²	161	136.1 Å²	136.1	71%	0.706	73%	0.728	S	S	*	*			trans	-127.2	104.9	154.3	-89	-79.8	0	0	0	108	F14 F18	F14-F16 HydrophobicContact CD1-CE2 4.27Å; F14-F16 PolarHBondContact O-N 3.24Å; F16-F18 HydrophobicContact CB-CD2 4.19Å; F16-F18 HydrophobicContact CB-CE2 4.16Å; F16-F18 HydrophobicContact CD1-CE2 4.41Å; F16-F18 PolarHBondContact O-N 3.18Å
17	S	25.1	Very low	27.8	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	72%	0.718	S	S	*	*			trans	-64	115.4	162.4	-172.8	0	0	0	0	107.9
18	F	25.3	Very low	28.5	Very low	173 Å²	173	134.9 Å²	134.9	76%	0.759	71%	0.709	S	S	*	*			trans	-113	106.1	165	-91.8	-81.1	0	0	0	108.7	F16 V20	F16-F18 HydrophobicContact CB-CD2 4.19Å; F16-F18 HydrophobicContact CB-CE2 4.16Å; F16-F18 HydrophobicContact CD1-CE2 4.41Å; F16-F18 PolarHBondContact O-N 3.18Å; F18-V20 PolarHBondContact O-N 3.34Å
19	S	24	Very low	29.1	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	69%	0.693	S	S	*	*			trans	-51.2	121.9	162.4	-176.5	0	0	0	0	109.2	N21	S19-N21 PolarHBondContact O-N 3.04Å
20	V	27.5	Very low	30	Very low	116 Å²	116	133.1 Å²	133.1	70%	0.703	70%	0.695	S	S	*	*			trans	-74.1	91.1	-177.1	178.9	0	0	0	0	108.6	F18	F18-V20 PolarHBondContact O-N 3.34Å
21	N	25.6	Very low	30.9	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	68%	0.684	S	S	*	*			trans	-92.4	111.1	162.5	-133	-15.5	0	0	0	108.1	S19 N23	S19-N21 PolarHBondContact O-N 3.04Å; N21-N23 PolarHBondContact O-N 3.16Å
22	H	35.8	Very low	31.7	Very low	163 Å²	163	133 Å²	133	76%	0.755	69%	0.685	S	S	*	*			trans	-70.7	89.1	-177.5	-95.4	-8.6	0	0	0	110.9
23	N	31.1	Very low	32.4	Very low	116 Å²	116	131.8 Å²	131.8	62%	0.62	67%	0.671	S	S	*	*			trans	-121.9	132.4	171.4	-138	-14.8	0	0	0	111.2	N21 Q25 N26	N21-N23 PolarHBondContact O-N 3.16Å; N23-Q25 PolarHBondContact O-N 3.43Å; N23-N26 PolarHBondContact O-N 3.05Å; N23-N26 VanDerWaalsContact O-N 3.08Å
24	H	37.7	Very low	33.4	Very low	153 Å²	153	127.5 Å²	127.5	71%	0.708	66%	0.656	S	S	*	*	H	α-helix	trans	-61.3	-20.3	-169.4	-147.2	-26	0	0	0	113.6
25	Q	30.1	Very low	34.4	Very low	130 Å²	130	126.8 Å²	126.8	61%	0.607	65%	0.653	S	S	*	*	H	α-helix	trans	-69	-32.7	176.5	-73.8	-75.6	-13.5	0	0	113.6	N23 K27 K28 K29	N23-Q25 PolarHBondContact O-N 3.43Å; Q25-K27 PolarHBondContact O-N 2.65Å; Q25-K28 PolarHBondContact O-N 3.01Å; Q25-K29 PolarHBondContact O-N 3.31Å
26	N	36.3	Very low	35.5	Very low	87 Å²	87	130.6 Å²	130.6	47%	0.465	65%	0.646	S	S	.	*	H	α-helix	trans	-71.8	-29.6	-178.4	-82.9	-11.2	0	0	0	112.7	N23 K29 I30	N23-N26 PolarHBondContact O-N 3.05Å; N23-N26 VanDerWaalsContact O-N 3.08Å; N26-K29 PolarHBondContact O-N 2.79Å; N26-I30 VanDerWaalsContact O-CG1 3.3Å; N26-I30 WeakPolarHBondContact O-CG1 3.28Å; N26-I30 PolarHBondContact O-N 2.8Å
27	K	36.8	Very low	36.4	Very low	136 Å²	136	129.1 Å²	129.1	59%	0.591	64%	0.639	S	S	*	*	H	α-helix	trans	-67.3	-38.5	177.1	-68.3	-174.3	178.7	-177.7	0	112.5	Q25 I30 V31	Q25-K27 PolarHBondContact O-N 2.65Å; K27-I30 PolarHBondContact O-N 2.78Å; K27-V31 WeakPolarHBondContact O-CG2 3.3Å; K27-V31 PolarHBondContact O-N 2.68Å
28	K	39	Very low	37.3	Very low	146 Å²	146	126.3 Å²	126.3	64%	0.635	62%	0.619	S	S	*	*	H	α-helix	trans	-66.7	-38.2	174.9	-72.4	-171.5	177.1	-175.3	0	112	Q25 V31 F32	Q25-K28 PolarHBondContact O-N 3.01Å; K28-V31 PolarHBondContact O-N 3.07Å; K28-F32 PolarHBondContact O-N 3.28Å
29	K	36.4	Very low	38.2	Very low	140 Å²	140	120.7 Å²	120.7	61%	0.609	60%	0.601	S	S	*	*	H	α-helix	trans	-64.2	-41.1	175.8	-75.2	-175.5	176.3	-177.7	0	112.3	Q25 N26 F32 Y33	Q25-K29 PolarHBondContact O-N 3.31Å; N26-K29 PolarHBondContact O-N 2.79Å; K29-F32 PolarHBondContact O-N 3.23Å; K29-Y33 VanDerWaalsContact O-CB 3.29Å; K29-Y33 WeakPolarHBondContact O-CB 3.33Å; K29-Y33 PolarHBondContact O-N 3.27Å
30	I	43.4	Very low	39.4	Very low	116 Å²	116	119.1 Å²	119.1	60%	0.595	58%	0.583	S	S	*	*	H	α-helix	trans	-63.5	-42.6	177.8	-67.6	163	0	0	0	111.2	N26 K27 Y33 A34	N26-I30 VanDerWaalsContact O-CG1 3.3Å; N26-I30 WeakPolarHBondContact O-CG1 3.28Å; N26-I30 PolarHBondContact O-N 2.8Å; K27-I30 PolarHBondContact O-N 2.78Å; I30-Y33 PolarHBondContact O-N 3.08Å; I30-A34 WeakPolarHBondContact O-CB 3.24Å; I30-A34 PolarHBondContact O-N 3.21Å
31	V	42.7	Very low	40.4	Very low	82 Å²	82	115.7 Å²	115.7	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-45.5	176.8	175.6	0	0	0	0	111	K27 K28 Y33 A34 F35	K27-V31 WeakPolarHBondContact O-CG2 3.3Å; K27-V31 PolarHBondContact O-N 2.68Å; K28-V31 PolarHBondContact O-N 3.07Å; V31-Y33 VanDerWaalsContact C-N 3.29Å; V31-Y33 PolarHBondContact O-N 2.87Å; V31-A34 PolarHBondContact O-N 3.45Å; V31-F35 HydrophobicContact CG1-CD2 3.87Å; V31-F35 HydrophobicContact CG1-CE2 4.03Å; V31-F35 WeakPolarHBondContact O-CD2 3.48Å; V31-F35 PolarHBondContact O-N 3.29Å
32	F	43.6	Very low	41.5	Very low	166 Å²	166	112.9 Å²	112.9	73%	0.728	55%	0.551	S	S	*	*	H	α-helix	trans	-59.9	-40.1	174.9	-108.7	-88.7	0	0	0	112.3	K28 K29 F35 W36	K28-F32 PolarHBondContact O-N 3.28Å; K29-F32 PolarHBondContact O-N 3.23Å; F32-F35 PolarHBondContact O-N 2.79Å; F32-W36 VanDerWaalsContact O-CB 3.28Å; F32-W36 WeakPolarHBondContact O-CB 3.42Å; F32-W36 PolarHBondContact O-N 2.72Å
33	Y	41	Very low	42	Very low	131 Å²	131	114 Å²	114	51%	0.514	55%	0.549	S	S	.	.	H	α-helix	trans	-69.3	-36.2	179.6	-153	-100.1	0	0	0	112.2	K29 I30 V31 W36 K37	K29-Y33 VanDerWaalsContact O-CB 3.29Å; K29-Y33 WeakPolarHBondContact O-CB 3.33Å; K29-Y33 PolarHBondContact O-N 3.27Å; I30-Y33 PolarHBondContact O-N 3.08Å; V31-Y33 VanDerWaalsContact C-N 3.29Å; V31-Y33 PolarHBondContact O-N 2.87Å; Y33-W36 HydrophobicContact CD2-CE3 4.19Å; Y33-W36 AromaticContact CE2-CE3 3.97Å; Y33-W36 HydrophobicContact CE2-CE3 3.97Å; Y33-W36 AromaticContact CE2-CZ3 3.91Å; Y33-W36 HydrophobicContact CE2-CZ3 3.91Å; Y33-W36 PolarHBondContact O-N 3.39Å; Y33-K37 HydrophobicContact CD1-CD 4.42Å; Y33-K37 HydrophobicContact CE1-CD 4.26Å; Y33-K37 PolarHBondContact O-N 2.91Å
34	A	44.8	Very low	42.8	Very low	61 Å²	61	112.5 Å²	112.5	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-44	173.2	0	0	0	0	0	111.9	I30 V31 W36 K37 C38	I30-A34 WeakPolarHBondContact O-CB 3.24Å; I30-A34 PolarHBondContact O-N 3.21Å; V31-A34 PolarHBondContact O-N 3.45Å; A34-W36 VanDerWaalsContact C-N 3.34Å; A34-W36 PolarHBondContact O-N 2.86Å; A34-K37 PolarHBondContact O-N 2.87Å; A34-C38 WeakPolarHBondContact O-CB 3.47Å; A34-C38 PolarHBondContact O-N 3.47Å
35	F	46.1	Very low	43.1	Very low	144 Å²	144	110.5 Å²	110.5	63%	0.632	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-40.1	173.7	-94.6	-87.1	0	0	0	112.1	V31 F32 C38 S39	V31-F35 HydrophobicContact CG1-CD2 3.87Å; V31-F35 HydrophobicContact CG1-CE2 4.03Å; V31-F35 WeakPolarHBondContact O-CD2 3.48Å; V31-F35 PolarHBondContact O-N 3.29Å; F32-F35 PolarHBondContact O-N 2.79Å; F35-C38 PolarHBondContact O-N 3Å; F35-S39 WeakPolarHBondContact O-CB 3.16Å; F35-S39 PolarHBondContact O-N 2.98Å
36	W	48.1	Very low	44.1	Very low	150 Å²	150	109.2 Å²	109.2	57%	0.568	53%	0.532	S	S	*	.	H	α-helix	trans	-66.3	-44.8	177.8	-172.4	54	0	0	0	111.9	F32 Y33 A34 C38 S39 I40	F32-W36 VanDerWaalsContact O-CB 3.28Å; F32-W36 WeakPolarHBondContact O-CB 3.42Å; F32-W36 PolarHBondContact O-N 2.72Å; Y33-W36 HydrophobicContact CD2-CE3 4.19Å; Y33-W36 AromaticContact CE2-CE3 3.97Å; Y33-W36 HydrophobicContact CE2-CE3 3.97Å; Y33-W36 AromaticContact CE2-CZ3 3.91Å; Y33-W36 HydrophobicContact CE2-CZ3 3.91Å; Y33-W36 PolarHBondContact O-N 3.39Å; A34-W36 VanDerWaalsContact C-N 3.34Å; A34-W36 PolarHBondContact O-N 2.86Å; W36-C38 VanDerWaalsContact C-N 3.35Å; W36-C38 PolarHBondContact O-N 3.4Å; W36-S39 PolarHBondContact O-N 3.5Å; W36-I40 HydrophobicContact CD2-CD1 3.85Å; W36-I40 HydrophobicContact CE3-CD1 4.28Å; W36-I40 HydrophobicContact CG-CD1 4.28Å; W36-I40 HydrophobicContact CH2-CD1 4.33Å; W36-I40 HydrophobicContact CZ2-CD1 3.91Å; W36-I40 HydrophobicContact CZ3-CD1 4.5Å; W36-I40 WeakPolarHBondContact O-CG1 3.21Å; W36-I40 PolarHBondContact O-N 3.4Å
37	K	43.7	Very low	44.2	Very low	129 Å²	129	109.7 Å²	109.7	56%	0.561	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-39.4	173.6	-82.2	-167.2	169.7	-175.4	0	112.7	Y33 A34 I40 A41	Y33-K37 HydrophobicContact CD1-CD 4.42Å; Y33-K37 HydrophobicContact CE1-CD 4.26Å; Y33-K37 PolarHBondContact O-N 2.91Å; A34-K37 PolarHBondContact O-N 2.87Å; K37-I40 PolarHBondContact O-N 3.28Å; K37-A41 WeakPolarHBondContact O-CB 3.41Å; K37-A41 PolarHBondContact O-N 2.81Å
38	C	43.7	Very low	44.5	Very low	64 Å²	64	107.6 Å²	107.6	43%	0.432	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-41.2	176.4	-154.6	0	0	0	0	111.2	A34 F35 W36 I40 A41 I42	A34-C38 WeakPolarHBondContact O-CB 3.47Å; A34-C38 PolarHBondContact O-N 3.47Å; F35-C38 PolarHBondContact O-N 3Å; W36-C38 VanDerWaalsContact C-N 3.35Å; W36-C38 PolarHBondContact O-N 3.4Å; C38-I40 PolarHBondContact O-N 2.81Å; C38-A41 PolarHBondContact O-N 2.86Å; C38-I42 WeakPolarHBondContact O-CB 3.31Å; C38-I42 WeakPolarHBondContact O-CD1 3.28Å; C38-I42 VanDerWaalsContact O-CG1 3.23Å; C38-I42 WeakPolarHBondContact O-CG1 3.39Å; C38-I42 PolarHBondContact O-N 3.32Å
39	S	45.6	Very low	44.6	Very low	54 Å²	54	106.8 Å²	106.8	38%	0.378	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-35.3	175.2	-172.6	0	0	0	0	112.9	F35 W36 R43	F35-S39 WeakPolarHBondContact O-CB 3.16Å; F35-S39 PolarHBondContact O-N 2.98Å; W36-S39 PolarHBondContact O-N 3.5Å; S39-R43 WeakPolarHBondContact O-CB 3.27Å; S39-R43 WeakPolarHBondContact O-CG 3.37Å; S39-R43 PolarHBondContact O-N 2.89Å
40	I	49.3	Very low	44.9	Very low	77 Å²	77	107 Å²	107	40%	0.395	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-48.4	173.9	-71.3	165.9	0	0	0	109.7	W36 K37 C38 I42 R43 T44	W36-I40 HydrophobicContact CD2-CD1 3.85Å; W36-I40 HydrophobicContact CE3-CD1 4.28Å; W36-I40 HydrophobicContact CG-CD1 4.28Å; W36-I40 HydrophobicContact CH2-CD1 4.33Å; W36-I40 HydrophobicContact CZ2-CD1 3.91Å; W36-I40 HydrophobicContact CZ3-CD1 4.5Å; W36-I40 WeakPolarHBondContact O-CG1 3.21Å; W36-I40 PolarHBondContact O-N 3.4Å; K37-I40 PolarHBondContact O-N 3.28Å; C38-I40 PolarHBondContact O-N 2.81Å; I40-I42 VanDerWaalsContact C-N 3.32Å; I40-I42 PolarHBondContact O-N 3.4Å; I40-R43 PolarHBondContact O-N 2.82Å; I40-R43 VanDerWaalsContact O-N 3.12Å; I40-T44 PolarHBondContact O-N 3.04Å; I40-T44 PolarHBondContact O-OG1 3.41Å
41	A	46.7	Very low	44.9	Very low	44 Å²	44	112.8 Å²	112.8	36%	0.364	56%	0.561	S	S	.	*	H	α-helix	trans	-60.8	-39.6	179	0	0	0	0	0	112.6	K37 C38 T44 M45	K37-A41 WeakPolarHBondContact O-CB 3.41Å; K37-A41 PolarHBondContact O-N 2.81Å; C38-A41 PolarHBondContact O-N 2.86Å; A41-T44 PolarHBondContact O-N 3.03Å; A41-M45 WeakPolarHBondContact O-CB 3.21Å; A41-M45 PolarHBondContact O-N 2.9Å
42	I	48.9	Very low	44.9	Very low	81 Å²	81	115 Å²	115	42%	0.415	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-44.3	174	-69.1	165.1	0	0	0	110.6	C38 I40 T44 M45 I46	C38-I42 WeakPolarHBondContact O-CB 3.31Å; C38-I42 WeakPolarHBondContact O-CD1 3.28Å; C38-I42 VanDerWaalsContact O-CG1 3.23Å; C38-I42 WeakPolarHBondContact O-CG1 3.39Å; C38-I42 PolarHBondContact O-N 3.32Å; I40-I42 VanDerWaalsContact C-N 3.32Å; I40-I42 PolarHBondContact O-N 3.4Å; I42-T44 PolarHBondContact O-N 3.46Å; I42-M45 PolarHBondContact O-N 2.82Å; I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.38Å; I42-I46 VanDerWaalsContact O-CG1 3.24Å; I42-I46 WeakPolarHBondContact O-CG1 3.31Å; I42-I46 PolarHBondContact O-N 3.25Å
43	R	46.1	Very low	45.1	Very low	188 Å²	188	111.4 Å²	111.4	71%	0.709	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-37.7	176.4	-79.1	-177	177.1	-153.2	-0.6	112.8	S39 I40 I46 C47	S39-R43 WeakPolarHBondContact O-CB 3.27Å; S39-R43 WeakPolarHBondContact O-CG 3.37Å; S39-R43 PolarHBondContact O-N 2.89Å; I40-R43 PolarHBondContact O-N 2.82Å; I40-R43 VanDerWaalsContact O-N 3.12Å; R43-I46 PolarHBondContact O-N 3.17Å; R43-C47 WeakPolarHBondContact O-CB 3.42Å; R43-C47 PolarHBondContact O-N 3.21Å
44	T	48.7	Very low	45	Very low	84 Å²	84	108.3 Å²	108.3	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-68.2	-37.7	177.5	-12.7	0	0	0	0	111.1	I40 A41 I42 C47 C48	I40-T44 PolarHBondContact O-N 3.04Å; I40-T44 PolarHBondContact O-OG1 3.41Å; A41-T44 PolarHBondContact O-N 3.03Å; I42-T44 PolarHBondContact O-N 3.46Å; T44-C47 PolarHBondContact O-N 3.37Å; T44-C48 PolarHBondContact O-N 2.79Å; T44-C48 VanDerWaalsContact O-N 3.13Å
45	M	45.1	Very low	44.9	Very low	111 Å²	111	108.7 Å²	108.7	55%	0.547	58%	0.579	S	S	.	*	H	α-helix	trans	-72.6	-35.8	176.4	-79.1	-166.2	-77.9	0	0	113.6	A41 I42 C47 C48 K49	A41-M45 WeakPolarHBondContact O-CB 3.21Å; A41-M45 PolarHBondContact O-N 2.9Å; I42-M45 PolarHBondContact O-N 2.82Å; M45-C47 VanDerWaalsContact C-N 3.3Å; M45-C48 PolarHBondContact O-N 3.41Å; M45-K49 PolarHBondContact O-N 2.99Å
46	I	49.3	Very low	44.9	Very low	102 Å²	102	109.1 Å²	109.1	52%	0.523	58%	0.584	S	S	.	*	H	α-helix	trans	-64.2	-39.4	172.1	-67.1	165.4	0	0	0	109.9	I42 R43 C48 K49	I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.38Å; I42-I46 VanDerWaalsContact O-CG1 3.24Å; I42-I46 WeakPolarHBondContact O-CG1 3.31Å; I42-I46 PolarHBondContact O-N 3.25Å; R43-I46 PolarHBondContact O-N 3.17Å; I46-C48 VanDerWaalsContact C-N 3.29Å; I46-C48 PolarHBondContact O-N 2.87Å; I46-K49 WeakPolarHBondContact O-CB 3.17Å; I46-K49 PolarHBondContact O-N 2.85Å; I46-K49 VanDerWaalsContact O-N 3.08Å
47	C	40	Very low	44.8	Very low	98 Å²	98	107.6 Å²	107.6	66%	0.662	59%	0.585	S	S	*	*	H	α-helix	trans	-66.4	-28.2	176.5	-142.2	0	0	0	0	113.2	R43 T44 M45 K49	R43-C47 WeakPolarHBondContact O-CB 3.42Å; R43-C47 PolarHBondContact O-N 3.21Å; T44-C47 PolarHBondContact O-N 3.37Å; M45-C47 VanDerWaalsContact C-N 3.3Å; C47-K49 VanDerWaalsContact C-N 3.32Å
48	C	41.6	Very low	45	Very low	91 Å²	91	108.7 Å²	108.7	62%	0.615	59%	0.59	S	S	*	*	H	α-helix	trans	-76.9	-14.4	173	-81.9	0	0	0	0	113.9	T44 M45 I46 D50 R51	T44-C48 PolarHBondContact O-N 2.79Å; T44-C48 VanDerWaalsContact O-N 3.13Å; M45-C48 PolarHBondContact O-N 3.41Å; I46-C48 VanDerWaalsContact C-N 3.29Å; I46-C48 PolarHBondContact O-N 2.87Å; C48-D50 VanDerWaalsContact C-N 3.28Å; C48-D50 PolarHBondContact O-N 3.36Å; C48-R51 PolarHBondContact O-N 3.46Å
49	K	41	Very low	45.2	Very low	129 Å²	129	110.5 Å²	110.5	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-68.6	-27.1	-179.8	-164.7	174.8	176.3	179.9	0	112.5	M45 I46 C47 R51	M45-K49 PolarHBondContact O-N 2.99Å; I46-K49 WeakPolarHBondContact O-CB 3.17Å; I46-K49 PolarHBondContact O-N 2.85Å; I46-K49 VanDerWaalsContact O-N 3.08Å; C47-K49 VanDerWaalsContact C-N 3.32Å; K49-R51 VanDerWaalsContact C-N 3.28Å; K49-R51 PolarHBondContact O-N 3.47Å
50	D	42.9	Very low	45.2	Very low	146 Å²	146	115.1 Å²	115.1	78%	0.781	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	0.1	-178.4	-67.4	-23.3	0	0	0	114	C48	C48-D50 VanDerWaalsContact C-N 3.28Å; C48-D50 PolarHBondContact O-N 3.36Å
51	R	44.1	Very low	45.4	Very low	236 Å²	236	117.5 Å²	117.5	89%	0.891	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-7.3	-178.4	-99.3	-175	-172.8	-173.1	2.7	117.2	C48 K49	C48-R51 PolarHBondContact O-N 3.46Å; K49-R51 VanDerWaalsContact C-N 3.28Å; K49-R51 PolarHBondContact O-N 3.47Å
52	I	41.7	Very low	45.9	Very low	129 Å²	129	118.7 Å²	118.7	66%	0.662	62%	0.618	S	S	*	*			trans	-144	110.5	-179.9	-54.4	178.1	0	0	0	109.2	A54	I52-A54 HydrophobicContact CG2-CB 4.25Å; I52-A54 PolarHBondContact O-N 2.88Å
53	G	47.7	Very low	46.4	Very low	91 Å²	91	118.5 Å²	118.5	94%	0.938	62%	0.624	S	S	*	*			trans	-62.1	100.5	167.9	0	0	0	0	0	109.9
54	A	39.9	Very low	47	Very low	65 Å²	65	116.7 Å²	116.7	54%	0.537	62%	0.622	S	S	.	*			trans	-149	102.3	176.1	0	0	0	0	0	111.9	I52	I52-A54 HydrophobicContact CG2-CB 4.25Å; I52-A54 PolarHBondContact O-N 2.88Å
55	S	42.3	Very low	47.6	Very low	69 Å²	69	118.5 Å²	118.5	48%	0.483	63%	0.628	S	S	.	*			trans	38.9	115.8	148.6	68.1	0	0	0	0	119.6	I57 K58	S55-I57 PolarHBondContact O-N 3.28Å; S55-K58 PolarHBondContact O-N 2.9Å
56	E	47.3	Very low	48.5	Very low	154 Å²	154	116 Å²	116	72%	0.72	62%	0.62	S	S	*	*	H	α-helix	trans	-50.1	-19.8	169.7	-71.4	-177.4	133.6	0	0	115.4	K58 M59 K60	E56-K58 PolarHBondContact O-N 3.13Å; E56-M59 PolarHBondContact O-N 3.14Å; E56-K60 PolarHBondContact O-N 3.09Å
57	I	45.5	Very low	49.2	Very low	118 Å²	118	116.2 Å²	116.2	61%	0.605	62%	0.622	S	S	*	*	H	α-helix	trans	-67.5	-34.4	-176.6	-59	172.9	0	0	0	112	S55 H61	S55-I57 PolarHBondContact O-N 3.28Å; I57-H61 PolarHBondContact O-CD2 3.49Å
58	K	47.8	Very low	50.4	Low	152 Å²	152	119.5 Å²	119.5	66%	0.661	62%	0.622	S	S	*	*	H	α-helix	trans	-72	-30.6	178.3	-79.1	-177.7	177.6	177.3	0	112.9	S55 E56 V62	S55-K58 PolarHBondContact O-N 2.9Å; E56-K58 PolarHBondContact O-N 3.13Å; K58-V62 WeakPolarHBondContact O-CG2 3.3Å; K58-V62 PolarHBondContact O-N 2.73Å
59	M	47.3	Very low	51.5	Low	101 Å²	101	117.3 Å²	117.3	50%	0.498	61%	0.61	S	S	.	*	H	α-helix	trans	-70.9	-37.5	178.2	-105.4	-174.7	-61.2	0	0	112.6	E56 V62 S63	E56-M59 PolarHBondContact O-N 3.14Å; M59-V62 PolarHBondContact O-N 2.8Å; M59-S63 WeakPolarHBondContact O-CB 2.94Å; M59-S63 PolarHBondContact O-N 3.06Å
60	K	46.8	Very low	52.4	Low	152 Å²	152	116 Å²	116	66%	0.661	61%	0.608	S	S	*	*	H	α-helix	trans	-64.6	-39.8	177.6	-75.1	-177.5	177.6	175.5	0	112.1	E56 S63 F64	E56-K60 PolarHBondContact O-N 3.09Å; K60-S63 PolarHBondContact O-N 3.47Å; K60-F64 WeakPolarHBondContact O-CB 3.31Å; K60-F64 PolarHBondContact O-N 3.3Å
61	H	53.5	Low	53.3	Low	126 Å²	126	113.3 Å²	113.3	58%	0.583	60%	0.597	S	S	*	*	H	α-helix	trans	-69.3	-38.5	177.2	-76.9	-53.6	0	0	0	113.5	I57 F64 L65	I57-H61 PolarHBondContact O-CD2 3.49Å; H61-F64 PolarHBondContact O-N 3.41Å; H61-L65 WeakPolarHBondContact O-CB 3.19Å; H61-L65 PolarHBondContact O-N 3.49Å
62	V	57.3	Low	53.9	Low	69 Å²	69	105.1 Å²	105.1	42%	0.418	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-39.1	175.5	175.1	0	0	0	0	111.1	K58 M59 L65 C66	K58-V62 WeakPolarHBondContact O-CG2 3.3Å; K58-V62 PolarHBondContact O-N 2.73Å; M59-V62 PolarHBondContact O-N 2.8Å; V62-L65 PolarHBondContact O-N 3.41Å; V62-C66 WeakPolarHBondContact O-CB 3.48Å; V62-C66 PolarHBondContact O-N 3.39Å; V62-C66 PolarHBondContact O-SG 2.92Å
63	S	58.1	Low	54.5	Low	77 Å²	77	104.6 Å²	104.6	54%	0.538	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-42	174.5	-164.7	0	0	0	0	111.8	M59 K60 C66 L67	M59-S63 WeakPolarHBondContact O-CB 2.94Å; M59-S63 PolarHBondContact O-N 3.06Å; K60-S63 PolarHBondContact O-N 3.47Å; S63-C66 PolarHBondContact O-N 3.49Å; S63-L67 WeakPolarHBondContact O-CB 3.3Å; S63-L67 PolarHBondContact O-N 3.4Å
64	F	60	Low	54.5	Low	150 Å²	150	103.9 Å²	103.9	66%	0.658	55%	0.551	S	S	*	*	H	α-helix	trans	-63	-41.7	173.9	-111.2	-90.6	0	0	0	112.6	K60 H61 L67 Y68	K60-F64 WeakPolarHBondContact O-CB 3.31Å; K60-F64 PolarHBondContact O-N 3.3Å; H61-F64 PolarHBondContact O-N 3.41Å; F64-L67 PolarHBondContact O-N 2.9Å; F64-Y68 VanDerWaalsContact O-CB 3.28Å; F64-Y68 WeakPolarHBondContact O-CB 3.35Å; F64-Y68 PolarHBondContact O-N 2.73Å
65	L	61	Low	55	Low	123 Å²	123	103.7 Å²	103.7	64%	0.644	55%	0.55	S	S	*	.	H	α-helix	trans	-65.2	-40.7	176.2	-85.8	158.2	0	0	0	112.2	H61 V62 Y68 A69	H61-L65 WeakPolarHBondContact O-CB 3.19Å; H61-L65 PolarHBondContact O-N 3.49Å; V62-L65 PolarHBondContact O-N 3.41Å; L65-Y68 PolarHBondContact O-N 3.14Å; L65-A69 VanDerWaalsContact O-CB 3.29Å; L65-A69 WeakPolarHBondContact O-CB 3.24Å; L65-A69 PolarHBondContact O-N 3.41Å
66	C	64.5	Low	55.1	Low	58 Å²	58	107.1 Å²	107.1	39%	0.392	56%	0.558	S	S	.	*	H	α-helix	trans	-66.2	-39.8	173.8	-76.8	0	0	0	0	112.1	V62 S63 A69 L70	V62-C66 WeakPolarHBondContact O-CB 3.48Å; V62-C66 PolarHBondContact O-N 3.39Å; V62-C66 PolarHBondContact O-SG 2.92Å; S63-C66 PolarHBondContact O-N 3.49Å; C66-A69 PolarHBondContact O-N 3.33Å; C66-L70 WeakPolarHBondContact O-CB 3.31Å; C66-L70 PolarHBondContact O-N 2.55Å
67	L	63	Low	54.6	Low	107 Å²	107	106.1 Å²	106.1	56%	0.56	55%	0.553	S	S	*	*	H	α-helix	trans	-66.2	-40.2	175.5	-149	90.5	0	0	0	110.9	S63 F64 L70 V71	S63-L67 WeakPolarHBondContact O-CB 3.3Å; S63-L67 PolarHBondContact O-N 3.4Å; F64-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 3.37Å; L67-V71 WeakPolarHBondContact O-CB 3.21Å; L67-V71 WeakPolarHBondContact O-CG2 3.26Å; L67-V71 PolarHBondContact O-N 2.95Å
68	Y	66.3	Low	54	Low	167 Å²	167	103.7 Å²	103.7	66%	0.655	56%	0.558	S	S	*	*	H	α-helix	trans	-67.2	-38.5	175.7	-150.9	-91.5	0	0	0	111.3	F64 L65 V71 T72	F64-Y68 VanDerWaalsContact O-CB 3.28Å; F64-Y68 WeakPolarHBondContact O-CB 3.35Å; F64-Y68 PolarHBondContact O-N 2.73Å; L65-Y68 PolarHBondContact O-N 3.14Å; Y68-V71 PolarHBondContact O-N 3.38Å; Y68-T72 HydrophobicContact CD1-CG2 3.99Å; Y68-T72 HydrophobicContact CE1-CG2 4.03Å; Y68-T72 WeakPolarHBondContact O-CB 3.24Å; Y68-T72 VanDerWaalsContact O-CG2 3.29Å; Y68-T72 WeakPolarHBondContact O-CG2 3.49Å; Y68-T72 PolarHBondContact O-N 2.92Å; Y68-T72 PolarHBondContact O-OG1 2.89Å
69	A	64.4	Low	53.5	Low	44 Å²	44	101.7 Å²	101.7	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-64.9	-41.1	172.9	0	0	0	0	0	111.7	L65 C66 T72 L73	L65-A69 VanDerWaalsContact O-CB 3.29Å; L65-A69 WeakPolarHBondContact O-CB 3.24Å; L65-A69 PolarHBondContact O-N 3.41Å; C66-A69 PolarHBondContact O-N 3.33Å; A69-T72 VanDerWaalsContact CA-OG1 3.27Å; A69-T72 WeakPolarHBondContact CA-OG1 3.37Å; A69-T72 PolarHBondContact O-N 3.06Å; A69-T72 PolarHBondContact O-OG1 3.24Å; A69-L73 VanDerWaalsContact O-CB 3.3Å; A69-L73 WeakPolarHBondContact O-CB 3.26Å; A69-L73 VanDerWaalsContact O-CD1 3.28Å; A69-L73 WeakPolarHBondContact O-CD1 3.37Å; A69-L73 PolarHBondContact O-N 2.9Å
70	L	58.8	Low	53.2	Low	101 Å²	101	102.9 Å²	102.9	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-42.6	174.2	-95	151.2	0	0	0	112.3	C66 L67 L73 C74	C66-L70 WeakPolarHBondContact O-CB 3.31Å; C66-L70 PolarHBondContact O-N 2.55Å; L67-L70 PolarHBondContact O-N 3.37Å; L70-L73 PolarHBondContact O-N 3.21Å; L70-C74 WeakPolarHBondContact O-CB 3.3Å; L70-C74 PolarHBondContact O-N 2.86Å; L70-C74 PolarHBondContact O-SG 2.84Å
71	V	61.8	Low	53.4	Low	90 Å²	90	100.8 Å²	100.8	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-67.4	-38.6	176.8	171.3	0	0	0	0	110.9	L67 Y68 C74 A75	L67-V71 WeakPolarHBondContact O-CB 3.21Å; L67-V71 WeakPolarHBondContact O-CG2 3.26Å; L67-V71 PolarHBondContact O-N 2.95Å; Y68-V71 PolarHBondContact O-N 3.38Å; V71-C74 PolarHBondContact O-N 2.8Å; V71-A75 WeakPolarHBondContact O-CB 3.03Å; V71-A75 PolarHBondContact O-N 2.81Å
72	T	56.8	Low	53.8	Low	65 Å²	65	99 Å²	99	40%	0.399	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-35	174.6	49.7	0	0	0	0	112.2	Y68 A69 A75 H76	Y68-T72 HydrophobicContact CD1-CG2 3.99Å; Y68-T72 HydrophobicContact CE1-CG2 4.03Å; Y68-T72 WeakPolarHBondContact O-CB 3.24Å; Y68-T72 VanDerWaalsContact O-CG2 3.29Å; Y68-T72 WeakPolarHBondContact O-CG2 3.49Å; Y68-T72 PolarHBondContact O-N 2.92Å; Y68-T72 PolarHBondContact O-OG1 2.89Å; A69-T72 VanDerWaalsContact CA-OG1 3.27Å; A69-T72 WeakPolarHBondContact CA-OG1 3.37Å; A69-T72 PolarHBondContact O-N 3.06Å; A69-T72 PolarHBondContact O-OG1 3.24Å; T72-A75 PolarHBondContact O-N 2.78Å; T72-H76 WeakPolarHBondContact O-CB 3.38Å; T72-H76 PolarHBondContact O-N 2.86Å
73	L	54.4	Low	54.6	Low	118 Å²	118	99.4 Å²	99.4	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-66.3	-42.8	170.1	-100.9	120.2	0	0	0	112.2	A69 L70 H76 E77	A69-L73 VanDerWaalsContact O-CB 3.3Å; A69-L73 WeakPolarHBondContact O-CB 3.26Å; A69-L73 VanDerWaalsContact O-CD1 3.28Å; A69-L73 WeakPolarHBondContact O-CD1 3.37Å; A69-L73 PolarHBondContact O-N 2.9Å; L70-L73 PolarHBondContact O-N 3.21Å; L73-H76 CarbonylContact O-C 3.5Å; L73-H76 WeakPolarHBondContact O-CA 3.03Å; L73-H76 WeakPolarHBondContact O-CB 3.44Å; L73-H76 PolarHBondContact O-N 3.24Å; L73-E77 PolarHBondContact O-N 3.05Å
74	C	48.7	Very low	55.6	Low	75 Å²	75	98.9 Å²	98.9	51%	0.507	58%	0.582	S	S	.	*	H	α-helix	trans	-68	-35.2	175	-72.1	0	0	0	0	112	L70 V71 H76 E77 G78	L70-C74 WeakPolarHBondContact O-CB 3.3Å; L70-C74 PolarHBondContact O-N 2.86Å; L70-C74 PolarHBondContact O-SG 2.84Å; V71-C74 PolarHBondContact O-N 2.8Å; C74-H76 VanDerWaalsContact C-N 3.3Å; C74-E77 PolarHBondContact O-N 2.81Å; C74-G78 PolarHBondContact O-N 3.2Å; C74-G78 VanDerWaalsContact O-N 3.09Å
75	A	48.7	Very low	56.9	Low	62 Å²	62	93.6 Å²	93.6	51%	0.512	56%	0.564	S	S	.	*	H	α-helix	trans	-67.7	-32.7	171	0	0	0	0	0	111.5	V71 T72 G78	V71-A75 WeakPolarHBondContact O-CB 3.03Å; V71-A75 PolarHBondContact O-N 2.81Å; T72-A75 PolarHBondContact O-N 2.78Å; A75-G78 PolarHBondContact O-N 3.07Å
76	H	44.6	Very low	58.1	Low	140 Å²	140	89.7 Å²	89.7	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-73.1	-29.9	171.3	-119.8	-71.1	0	0	0	112.9	T72 L73 C74 G78 V79	T72-H76 WeakPolarHBondContact O-CB 3.38Å; T72-H76 PolarHBondContact O-N 2.86Å; L73-H76 CarbonylContact O-C 3.5Å; L73-H76 WeakPolarHBondContact O-CA 3.03Å; L73-H76 WeakPolarHBondContact O-CB 3.44Å; L73-H76 PolarHBondContact O-N 3.24Å; C74-H76 VanDerWaalsContact C-N 3.3Å; H76-G78 VanDerWaalsContact C-N 3.26Å; H76-V79 WeakPolarHBondContact O-CB 3.17Å; H76-V79 PolarHBondContact O-N 3.02Å
77	E	38	Very low	59.2	Low	133 Å²	133	87.1 Å²	87.1	62%	0.621	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-30.3	167.9	-77	-164.8	159.3	0	0	111.9	L73 C74 V79 L80	L73-E77 PolarHBondContact O-N 3.05Å; C74-E77 PolarHBondContact O-N 2.81Å; E77-V79 PolarHBondContact O-N 3.18Å; E77-L80 HydrophobicContact CB-CD1 4.37Å; E77-L80 HydrophobicContact CG-CD1 4.21Å; E77-L80 WeakPolarHBondContact O-CB 2.95Å; E77-L80 PolarHBondContact O-N 2.76Å; E77-L80 VanDerWaalsContact O-N 3.09Å
78	G	33.1	Very low	60.6	Low	68 Å²	68	83.2 Å²	83.2	70%	0.701	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.4	167.7	0	0	0	0	0	114.8	C74 A75 H76	C74-G78 PolarHBondContact O-N 3.2Å; C74-G78 VanDerWaalsContact O-N 3.09Å; A75-G78 PolarHBondContact O-N 3.07Å; H76-G78 VanDerWaalsContact C-N 3.26Å
79	V	37	Very low	61.8	Low	110 Å²	110	78.2 Å²	78.2	67%	0.667	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	2.2	175.8	-175.4	0	0	0	0	111.9	H76 E77 S81	H76-V79 WeakPolarHBondContact O-CB 3.17Å; H76-V79 PolarHBondContact O-N 3.02Å; E77-V79 PolarHBondContact O-N 3.18Å; V79-S81 PolarHBondContact O-N 2.83Å
80	L	40.9	Very low	63.2	Low	126 Å²	126	76.1 Å²	76.1	66%	0.66	47%	0.466	S	S	*	.	S	Bend	trans	-68.1	117.2	161.5	-90.6	112.4	0	0	0	108.6	E77 A82	E77-L80 HydrophobicContact CB-CD1 4.37Å; E77-L80 HydrophobicContact CG-CD1 4.21Å; E77-L80 WeakPolarHBondContact O-CB 2.95Å; E77-L80 PolarHBondContact O-N 2.76Å; E77-L80 VanDerWaalsContact O-N 3.09Å; L80-A82 PolarHBondContact O-N 3.35Å
81	S	50.8	Low	64.9	Low	108 Å²	108	71.3 Å²	71.3	76%	0.755	44%	0.441	S	S	*	.			trans	-36.8	116.3	173.1	-176.7	0	0	0	0	110.6	V79 A83	V79-S81 PolarHBondContact O-N 2.83Å; S81-A83 PolarHBondContact O-N 2.93Å
82	A	61.2	Low	66.5	Low	87 Å²	87	67.8 Å²	67.8	72%	0.719	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-46.9	139	174.8	0	0	0	0	0	109.5	L80	L80-A82 PolarHBondContact O-N 3.35Å
83	A	74.1	Confident	68.4	Low	79 Å²	79	64.9 Å²	64.9	65%	0.653	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-53.6	134.9	-179.2	0	0	0	0	0	109.5	S81 S85	S81-A83 PolarHBondContact O-N 2.93Å; A83-S85 PolarHBondContact O-N 2.83Å
84	P	80.7	Confident	70.4	Confident	65 Å²	65	59.2 Å²	59.2	42%	0.422	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-54.2	131.8	-177.1	-25.7	32.4	0	0	0	110.7	E88 R89	P84-E88 HydrophobicContact CB-CB 4.14Å; P84-R89 HydrophobicContact CB-CG 4.16Å; P84-R89 PolarHBondContact O-NE 3.41Å; P84-R89 PolarHBondContact O-NH2 3.07Å
85	S	86.7	Confident	72.8	Confident	40 Å²	40	55.8 Å²	55.8	28%	0.28	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-60.1	162	174.4	69	0	0	0	0	110.6	A83 G87 E88 R89 T442	A83-S85 PolarHBondContact O-N 2.83Å; S85-G87 PolarHBondContact O-N 3.03Å; S85-E88 VanDerWaalsContact CB-OE2 3.32Å; S85-E88 WeakPolarHBondContact CB-OE2 3.37Å; S85-E88 PolarHBondContact N-OE2 3.47Å; S85-E88 PolarHBondContact O-N 2.57Å; S85-E88 WeakPolarHBondContact OG-CG 3.46Å; S85-E88 PolarHBondContact OG-N 2.87Å; S85-E88 VanDerWaalsContact OG-N 3.13Å; S85-E88 PolarHBondContact OG-OE2 2.84Å; S85-R89 WeakPolarHBondContact O-CG 3.49Å; S85-R89 PolarHBondContact O-N 3.47Å; S85-T442 PolarHBondContact OG-O 3.14Å
86	Y	85.3	Confident	75.1	Confident	41 Å²	41	55.6 Å²	55.6	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-28.6	175.4	-71.3	-83.4	0	0	0	112.8	G90 Y142 P147 M150	Y86-G90 PolarHBondContact O-N 3.33Å; Y86-Y142 AromaticContact CD1-CD1 3.59Å; Y86-Y142 HydrophobicContact CD1-CD1 3.59Å; Y86-Y142 AromaticContact CD1-CE1 3.65Å; Y86-Y142 HydrophobicContact CD1-CE1 3.65Å; Y86-Y142 HydrophobicContact CD1-CG 4.24Å; Y86-Y142 HydrophobicContact CE1-CD1 4.01Å; Y86-Y142 HydrophobicContact CE1-CG 4.37Å; Y86-P147 HydrophobicContact CD1-CB 3.55Å; Y86-P147 HydrophobicContact CD1-CG 3.74Å; Y86-P147 HydrophobicContact CE1-CB 3.2Å; Y86-P147 HydrophobicContact CE1-CG 3.65Å; Y86-P147 HydrophobicContact CE2-CB 4.23Å; Y86-P147 HydrophobicContact CG-CB 4.22Å; Y86-M150 HydrophobicContact CD2-CB 3.97Å; Y86-M150 HydrophobicContact CD2-CG 3.32Å; Y86-M150 HydrophobicContact CE2-CB 4.1Å; Y86-M150 HydrophobicContact CE2-CG 3.79Å; Y86-M150 HydrophobicContact CG-CG 4.09Å
87	G	87.9	Confident	77.6	Confident	4 Å²	4	48.9 Å²	48.9	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-46.7	172.2	0	0	0	0	0	111.6	S85 S91 T444	S85-G87 PolarHBondContact O-N 3.03Å; G87-S91 VanDerWaalsContact O-CB 3.29Å; G87-S91 WeakPolarHBondContact O-CB 3.04Å; G87-S91 PolarHBondContact O-N 3.44Å; G87-S91 PolarHBondContact O-OG 3.31Å; G87-T444 VanDerWaalsContact CA-OG1 3.32Å; G87-T444 WeakPolarHBondContact CA-OG1 3.39Å
88	E	91.8	Very high	80.4	Confident	24 Å²	24	42.6 Å²	42.6	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-45.8	175	-71.6	164.1	118.1	0	0	111.9	P84 S85 G90 S91 D92 T332 Q336	P84-E88 HydrophobicContact CB-CB 4.14Å; S85-E88 VanDerWaalsContact CB-OE2 3.32Å; S85-E88 WeakPolarHBondContact CB-OE2 3.37Å; S85-E88 PolarHBondContact N-OE2 3.47Å; S85-E88 PolarHBondContact O-N 2.57Å; S85-E88 WeakPolarHBondContact OG-CG 3.46Å; S85-E88 PolarHBondContact OG-N 2.87Å; S85-E88 VanDerWaalsContact OG-N 3.13Å; S85-E88 PolarHBondContact OG-OE2 2.84Å; E88-G90 VanDerWaalsContact C-N 3.35Å; E88-G90 PolarHBondContact O-N 3.01Å; E88-S91 CarbonylContact O-C 3.59Å; E88-S91 PolarHBondContact O-N 3.12Å; E88-S91 VanDerWaalsContact O-N 3.12Å; E88-D92 WeakPolarHBondContact O-CB 3.43Å; E88-D92 PolarHBondContact O-N 3.38Å; E88-T332 HydrophobicContact CB-CG2 4.36Å; E88-T332 WeakPolarHBondContact O-CG2 3.41Å; E88-Q336 PolarHBondContact OE1-OE1 3.27Å
89	R	92.3	Very high	83.4	Confident	62 Å²	62	40.4 Å²	40.4	23%	0.234	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-45.6	178.6	-66.8	174.9	-166.1	-141.2	-1.7	112.6	P84 S85 D92 L93 L140 R141 Y142	P84-R89 HydrophobicContact CB-CG 4.16Å; P84-R89 PolarHBondContact O-NE 3.41Å; P84-R89 PolarHBondContact O-NH2 3.07Å; S85-R89 WeakPolarHBondContact O-CG 3.49Å; S85-R89 PolarHBondContact O-N 3.47Å; R89-D92 PolarHBondContact O-N 2.84Å; R89-L93 PolarHBondContact O-N 3.01Å; R89-L140 WeakPolarHBondContact CB-O 3.31Å; R89-R141 WeakPolarHBondContact CD-O 3.29Å; R89-R141 PolarHBondContact NH1-O 3.03Å; R89-Y142 HydrophobicContact CB-CD1 4.46Å; R89-Y142 HydrophobicContact CB-CE1 4.09Å
90	G	92.9	Very high	86.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-40.1	175.1	0	0	0	0	0	112.4	Y86 E88 D92 L93 G94 A118	Y86-G90 PolarHBondContact O-N 3.33Å; E88-G90 VanDerWaalsContact C-N 3.35Å; E88-G90 PolarHBondContact O-N 3.01Å; G90-D92 VanDerWaalsContact C-N 3.31Å; G90-D92 PolarHBondContact O-N 2.94Å; G90-L93 PolarHBondContact O-N 2.95Å; G90-G94 PolarHBondContact O-N 3.21Å; G90-A118 VanDerWaalsContact CA-CB 3.5Å
91	S	95.4	Very high	88.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-35.6	176.8	-57.8	0	0	0	0	112.3	G87 E88 G94 I95 T444 I445	G87-S91 VanDerWaalsContact O-CB 3.29Å; G87-S91 WeakPolarHBondContact O-CB 3.04Å; G87-S91 PolarHBondContact O-N 3.44Å; G87-S91 PolarHBondContact O-OG 3.31Å; E88-S91 CarbonylContact O-C 3.59Å; E88-S91 PolarHBondContact O-N 3.12Å; E88-S91 VanDerWaalsContact O-N 3.12Å; S91-G94 PolarHBondContact O-N 3.18Å; S91-I95 WeakPolarHBondContact O-CD1 3.34Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.44Å; S91-T444 WeakPolarHBondContact OG-CA 3.43Å; S91-I445 PolarHBondContact OG-N 3.42Å
92	D	95.7	Very high	90.8	Very high	16 Å²	16	27.7 Å²	27.7	9%	0.086	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-42.8	178.6	-157.7	67.1	0	0	0	111.6	E88 R89 G90 I95 Q96 R141 T332	E88-D92 WeakPolarHBondContact O-CB 3.43Å; E88-D92 PolarHBondContact O-N 3.38Å; R89-D92 PolarHBondContact O-N 2.84Å; G90-D92 VanDerWaalsContact C-N 3.31Å; G90-D92 PolarHBondContact O-N 2.94Å; D92-I95 PolarHBondContact O-N 3.26Å; D92-Q96 WeakPolarHBondContact O-CG 3.45Å; D92-Q96 PolarHBondContact O-N 2.86Å; D92-Q96 VanDerWaalsContact O-N 3.1Å; D92-Q96 PolarHBondContact OD2-NE2 2.95Å; D92-R141 IonicContact OD2-CZ 3.66Å; D92-R141 IonicContact OD2-NH1 2.73Å; D92-R141 PolarHBondContact OD2-NH1 3.13Å; D92-R141 IonicContact OD2-NH2 3.9Å; D92-T332 HydrophobicContact CB-CG2 4.02Å; D92-T332 PolarHBondContact OD1-N 3.07Å; D92-T332 PolarHBondContact OD1-OG1 2.95Å
93	L	96.3	Very high	92.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-44.9	172.8	177.4	61.6	0	0	0	111.6	R89 G90 I95 Q96 V97 L121 A139 L140 L369 I371	R89-L93 PolarHBondContact O-N 3.01Å; G90-L93 PolarHBondContact O-N 2.95Å; L93-I95 VanDerWaalsContact C-N 3.28Å; L93-I95 PolarHBondContact O-N 2.96Å; L93-Q96 WeakPolarHBondContact O-CB 3.29Å; L93-Q96 PolarHBondContact O-N 2.89Å; L93-Q96 VanDerWaalsContact O-N 3.08Å; L93-V97 PolarHBondContact O-N 2.91Å; L93-L121 HydrophobicContact CD2-CD1 3.28Å; L93-L121 HydrophobicContact CG-CD1 4.48Å; L93-A139 HydrophobicContact CD1-CB 3.99Å; L93-A139 HydrophobicContact CD2-CB 3.96Å; L93-L140 HydrophobicContact CD2-CD2 3.64Å; L93-L140 HydrophobicContact CD2-CG 4.05Å; L93-L369 HydrophobicContact CD1-CD1 4.04Å; L93-I371 HydrophobicContact CD1-CD1 4.46Å
94	G	97.1	Very high	93	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-33	177.7	0	0	0	0	0	113.4	G90 S91 V97 F98	G90-G94 PolarHBondContact O-N 3.21Å; S91-G94 PolarHBondContact O-N 3.18Å; G94-V97 PolarHBondContact O-N 2.88Å; G94-F98 PolarHBondContact O-N 2.8Å
95	I	97.6	Very high	93.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-43	170.4	-70.2	159.6	0	0	0	110.6	S91 D92 L93 V97 F98 Q99 I330 T332 I445 M448	S91-I95 WeakPolarHBondContact O-CD1 3.34Å; S91-I95 VanDerWaalsContact O-CG1 3.24Å; S91-I95 WeakPolarHBondContact O-CG1 3.44Å; S91-I95 PolarHBondContact O-N 3.44Å; D92-I95 PolarHBondContact O-N 3.26Å; L93-I95 VanDerWaalsContact C-N 3.28Å; L93-I95 PolarHBondContact O-N 2.96Å; I95-V97 VanDerWaalsContact C-N 3.32Å; I95-V97 PolarHBondContact O-N 3.05Å; I95-F98 WeakPolarHBondContact O-CB 3.27Å; I95-F98 PolarHBondContact O-N 3.37Å; I95-Q99 HydrophobicContact CG2-CG 4.45Å; I95-Q99 WeakPolarHBondContact O-CG 3.4Å; I95-Q99 PolarHBondContact O-N 2.97Å; I95-I330 VanDerWaalsContact CG2-O 3.28Å; I95-I330 WeakPolarHBondContact CG2-O 3.34Å; I95-T332 HydrophobicContact CD1-CG2 3.85Å; I95-I445 HydrophobicContact CD1-CD1 3.39Å; I95-I445 HydrophobicContact CG1-CD1 4.04Å; I95-M448 HydrophobicContact CB-SD 4.27Å; I95-M448 HydrophobicContact CG1-SD 3.72Å; I95-M448 HydrophobicContact CG2-CE 4.2Å; I95-M448 HydrophobicContact CG2-SD 4.2Å
96	Q	97.3	Very high	93.6	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	17%	0.166	S	C	.	.	H	α-helix	trans	-62.5	-40.5	176.4	-69.3	171.5	50.2	0	0	111.5	D92 L93 Q99 Q100 L369	D92-Q96 WeakPolarHBondContact O-CG 3.45Å; D92-Q96 PolarHBondContact O-N 2.86Å; D92-Q96 VanDerWaalsContact O-N 3.1Å; D92-Q96 PolarHBondContact OD2-NE2 2.95Å; L93-Q96 WeakPolarHBondContact O-CB 3.29Å; L93-Q96 PolarHBondContact O-N 2.89Å; L93-Q96 VanDerWaalsContact O-N 3.08Å; Q96-Q99 WeakPolarHBondContact O-CB 3.37Å; Q96-Q99 PolarHBondContact O-N 2.95Å; Q96-Q100 WeakPolarHBondContact O-CG 3.36Å; Q96-Q100 PolarHBondContact O-N 2.83Å; Q96-L369 HydrophobicContact CB-CD1 3.91Å; Q96-L369 HydrophobicContact CB-CD2 4.2Å
97	V	97.3	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-44.9	172.3	166.7	0	0	0	0	111	L93 G94 I95 Q99 Q100 V101 L112 V117 L362 P365 L366 L369	L93-V97 PolarHBondContact O-N 2.91Å; G94-V97 PolarHBondContact O-N 2.88Å; I95-V97 VanDerWaalsContact C-N 3.32Å; I95-V97 PolarHBondContact O-N 3.05Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.22Å; V97-Q100 WeakPolarHBondContact O-CB 3.37Å; V97-Q100 PolarHBondContact O-N 2.94Å; V97-Q100 VanDerWaalsContact O-N 3.11Å; V97-V101 WeakPolarHBondContact O-CG2 3.35Å; V97-V101 PolarHBondContact O-N 3.31Å; V97-L112 HydrophobicContact CG1-CD2 4.44Å; V97-V117 HydrophobicContact CB-CG1 4.36Å; V97-V117 HydrophobicContact CG1-CG1 4.49Å; V97-V117 HydrophobicContact CG1-CG2 4.13Å; V97-V117 HydrophobicContact CG2-CG1 3.91Å; V97-L362 HydrophobicContact CG1-CD2 3.99Å; V97-P365 HydrophobicContact CG1-CB 4.03Å; V97-P365 HydrophobicContact CG1-CG 4.08Å; V97-L366 HydrophobicContact CG2-CD2 3.7Å; V97-L366 HydrophobicContact CG2-CG 4.37Å; V97-L369 HydrophobicContact CG2-CD1 3.55Å
98	F	97.3	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.4	-44	174.3	176.3	-98.1	0	0	0	112.5	G94 I95 Q100 V101 V102 V110 L112 I327 L434 M448 Q450	G94-F98 PolarHBondContact O-N 2.8Å; I95-F98 WeakPolarHBondContact O-CB 3.27Å; I95-F98 PolarHBondContact O-N 3.37Å; F98-Q100 VanDerWaalsContact C-N 3.29Å; F98-Q100 PolarHBondContact O-N 2.95Å; F98-V101 PolarHBondContact O-N 3.06Å; F98-V102 HydrophobicContact CD1-CG2 4.08Å; F98-V102 HydrophobicContact CD2-CG2 4.11Å; F98-V102 HydrophobicContact CE1-CG2 3.62Å; F98-V102 HydrophobicContact CE2-CG2 3.67Å; F98-V102 HydrophobicContact CG-CG2 4.33Å; F98-V102 HydrophobicContact CZ-CG2 3.41Å; F98-V102 VanDerWaalsContact CZ-CG2 3.41Å; F98-V102 WeakPolarHBondContact O-CB 3.38Å; F98-V102 WeakPolarHBondContact O-CG2 3.28Å; F98-V102 PolarHBondContact O-N 3.16Å; F98-V110 HydrophobicContact CD2-CG1 4.1Å; F98-V110 HydrophobicContact CE2-CB 4.15Å; F98-V110 HydrophobicContact CE2-CG1 3.86Å; F98-L112 HydrophobicContact CB-CD1 4.11Å; F98-L112 HydrophobicContact CB-CD2 3.52Å; F98-L112 HydrophobicContact CB-CG 3.93Å; F98-L112 HydrophobicContact CD2-CD2 3.64Å; F98-L112 HydrophobicContact CD2-CG 3.73Å; F98-L112 HydrophobicContact CG-CD2 4.07Å; F98-L112 HydrophobicContact CG-CG 4.3Å; F98-I327 HydrophobicContact CD1-CG2 4.36Å; F98-I327 HydrophobicContact CE1-CD1 4.29Å; F98-I327 HydrophobicContact CE1-CG2 4.02Å; F98-L434 HydrophobicContact CE1-CD1 3.83Å; F98-L434 HydrophobicContact CZ-CD1 3.97Å; F98-M448 HydrophobicContact CB-SD 4.12Å; F98-M448 HydrophobicContact CD1-CE 3.51Å; F98-M448 HydrophobicContact CD1-CG 3.96Å; F98-M448 HydrophobicContact CD1-SD 3.56Å; F98-M448 VanDerWaalsContact CD1-SD 3.56Å; F98-M448 HydrophobicContact CD2-CG 4.25Å; F98-M448 HydrophobicContact CE1-CE 3.66Å; F98-M448 HydrophobicContact CE1-CG 4.03Å; F98-M448 HydrophobicContact CE1-SD 4.09Å; F98-M448 HydrophobicContact CE2-CG 4.31Å; F98-M448 HydrophobicContact CG-CE 4.39Å; F98-M448 HydrophobicContact CG-CG 4.06Å; F98-M448 HydrophobicContact CG-SD 3.84Å; F98-M448 HydrophobicContact CZ-CG 4.19Å; F98-Q450 HydrophobicContact CZ-CB 4.06Å; F98-Q450 HydrophobicContact CZ-CG 4.47Å
99	Q	96.4	Very high	94	Very high	23 Å²	23	42.8 Å²	42.8	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-37.8	176.4	-70.7	167.8	-17.2	0	0	112	I95 Q96 V97 R103 I327 P328 I330	I95-Q99 HydrophobicContact CG2-CG 4.45Å; I95-Q99 WeakPolarHBondContact O-CG 3.4Å; I95-Q99 PolarHBondContact O-N 2.97Å; Q96-Q99 WeakPolarHBondContact O-CB 3.37Å; Q96-Q99 PolarHBondContact O-N 2.95Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.22Å; Q99-R103 WeakPolarHBondContact O-CB 3.47Å; Q99-R103 WeakPolarHBondContact O-CD 3.4Å; Q99-R103 WeakPolarHBondContact O-CG 3.25Å; Q99-R103 PolarHBondContact O-N 3.05Å; Q99-R103 VanDerWaalsContact O-N 3.08Å; Q99-I327 HydrophobicContact CG-CG2 3.99Å; Q99-I327 PolarHBondContact NE2-O 2.68Å; Q99-P328 PolarHBondContact NE2-O 2.97Å; Q99-I330 PolarHBondContact NE2-O 2.98Å
100	Q	95.8	Very high	94	Very high	50 Å²	50	40 Å²	40	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-43.3	174.7	-64.2	-60.4	-9.1	0	0	112.1	Q96 V97 F98 R103 S104 P365 L369	Q96-Q100 WeakPolarHBondContact O-CG 3.36Å; Q96-Q100 PolarHBondContact O-N 2.83Å; V97-Q100 WeakPolarHBondContact O-CB 3.37Å; V97-Q100 PolarHBondContact O-N 2.94Å; V97-Q100 VanDerWaalsContact O-N 3.11Å; F98-Q100 VanDerWaalsContact C-N 3.29Å; F98-Q100 PolarHBondContact O-N 2.95Å; Q100-R103 PolarHBondContact O-N 3.45Å; Q100-S104 PolarHBondContact O-N 3.4Å; Q100-P365 HydrophobicContact CB-CB 3.85Å; Q100-L369 HydrophobicContact CG-CD2 4.08Å; Q100-L369 HydrophobicContact CG-CG 4.21Å
101	V	94.5	Very high	94	Very high	17 Å²	17	40 Å²	40	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-42.3	178.8	178.7	0	0	0	0	111.4	V97 F98 R103 S104 K105 V110 L112 V360 P365	V97-V101 WeakPolarHBondContact O-CG2 3.35Å; V97-V101 PolarHBondContact O-N 3.31Å; F98-V101 PolarHBondContact O-N 3.06Å; V101-R103 VanDerWaalsContact C-N 3.34Å; V101-R103 PolarHBondContact O-N 3.04Å; V101-S104 PolarHBondContact O-N 3.4Å; V101-S104 PolarHBondContact O-OG 2.89Å; V101-K105 PolarHBondContact O-N 3.49Å; V101-V110 HydrophobicContact CB-CG1 4.38Å; V101-V110 HydrophobicContact CG1-CG1 3.65Å; V101-V110 HydrophobicContact CG1-CG2 4.36Å; V101-L112 HydrophobicContact CG2-CD2 4.46Å; V101-V360 HydrophobicContact CG2-CG1 4.13Å; V101-P365 HydrophobicContact CG2-CB 4.07Å; V101-P365 HydrophobicContact CG2-CG 4Å
102	V	94.5	Very high	94	Very high	9 Å²	9	40 Å²	40	6%	0.055	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-35.9	178.4	163.9	0	0	0	0	111.9	F98 S104 K105 P106 V110 I327 Q450	F98-V102 HydrophobicContact CD1-CG2 4.08Å; F98-V102 HydrophobicContact CD2-CG2 4.11Å; F98-V102 HydrophobicContact CE1-CG2 3.62Å; F98-V102 HydrophobicContact CE2-CG2 3.67Å; F98-V102 HydrophobicContact CG-CG2 4.33Å; F98-V102 HydrophobicContact CZ-CG2 3.41Å; F98-V102 VanDerWaalsContact CZ-CG2 3.41Å; F98-V102 WeakPolarHBondContact O-CB 3.38Å; F98-V102 WeakPolarHBondContact O-CG2 3.28Å; F98-V102 PolarHBondContact O-N 3.16Å; V102-S104 VanDerWaalsContact C-N 3.29Å; V102-S104 PolarHBondContact O-N 3.35Å; V102-K105 CarbonylContact O-C 3.58Å; V102-K105 PolarHBondContact O-N 2.85Å; V102-K105 VanDerWaalsContact O-N 3.09Å; V102-P106 WeakPolarHBondContact O-CA 3.06Å; V102-P106 VanDerWaalsContact O-N 3.1Å; V102-V110 HydrophobicContact CG2-CB 4.13Å; V102-V110 HydrophobicContact CG2-CG1 4.3Å; V102-V110 HydrophobicContact CG2-CG2 4.31Å; V102-I327 HydrophobicContact CG1-CD1 3.94Å; V102-I327 HydrophobicContact CG1-CG2 4.39Å; V102-Q450 HydrophobicContact CG2-CG 4.13Å
103	R	92	Very high	94	Very high	152 Å²	152	39.2 Å²	39.2	57%	0.574	20%	0.199	S	C	*	.	H	α-helix	trans	-61	-36.6	178	-81.3	170.6	-177.8	174.7	0.6	112.8	Q99 Q100 V101 K105	Q99-R103 WeakPolarHBondContact O-CB 3.47Å; Q99-R103 WeakPolarHBondContact O-CD 3.4Å; Q99-R103 WeakPolarHBondContact O-CG 3.25Å; Q99-R103 PolarHBondContact O-N 3.05Å; Q99-R103 VanDerWaalsContact O-N 3.08Å; Q100-R103 PolarHBondContact O-N 3.45Å; V101-R103 VanDerWaalsContact C-N 3.34Å; V101-R103 PolarHBondContact O-N 3.04Å; R103-K105 VanDerWaalsContact C-N 3.33Å
104	S	89.1	Confident	94	Very high	91 Å²	91	39.1 Å²	39.1	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-79.7	-17.9	176.4	60	0	0	0	0	113.2	Q100 V101 V102	Q100-S104 PolarHBondContact O-N 3.4Å; V101-S104 PolarHBondContact O-N 3.4Å; V101-S104 PolarHBondContact O-OG 2.89Å; V102-S104 VanDerWaalsContact C-N 3.29Å; V102-S104 PolarHBondContact O-N 3.35Å
105	K	90	Very high	93.9	Very high	86 Å²	86	39.8 Å²	39.8	37%	0.374	20%	0.201	S	C	.	.			trans	-136.9	61.6	-174.3	-65.7	173.3	159.6	-127.8	0	111.9	V101 V102 R103 L107 E108 V110 Q450	V101-K105 PolarHBondContact O-N 3.49Å; V102-K105 CarbonylContact O-C 3.58Å; V102-K105 PolarHBondContact O-N 2.85Å; V102-K105 VanDerWaalsContact O-N 3.09Å; R103-K105 VanDerWaalsContact C-N 3.33Å; K105-L107 VanDerWaalsContact C-N 3.27Å; K105-L107 PolarHBondContact O-N 2.78Å; K105-E108 HydrophobicContact CB-CB 4.12Å; K105-E108 HydrophobicContact CB-CG 4.16Å; K105-E108 WeakPolarHBondContact CD-OE2 3.2Å; K105-E108 IonicContact NZ-OE1 2.83Å; K105-E108 PolarHBondContact NZ-OE1 2.91Å; K105-E108 IonicContact NZ-OE2 3.19Å; K105-E108 PolarHBondContact NZ-OE2 3.41Å; K105-E108 PolarHBondContact O-N 2.83Å; K105-V110 HydrophobicContact CB-CG2 4.43Å; K105-Q450 PolarHBondContact O-NE2 3.42Å
106	P	88.3	Confident	93.8	Very high	72 Å²	72	39.7 Å²	39.7	47%	0.468	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.2	-168.9	25.1	-34.6	0	0	0	113.9	V102 N452	V102-P106 WeakPolarHBondContact O-CA 3.06Å; V102-P106 VanDerWaalsContact O-N 3.1Å; P106-N452 PolarHBondContact O-ND2 3.43Å
107	L	89.6	Confident	93.7	Very high	101 Å²	101	36.9 Å²	36.9	53%	0.529	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.7	-176.9	-58.5	-179.5	0	0	0	113.8	K105 G269 N452	K105-L107 VanDerWaalsContact C-N 3.27Å; K105-L107 PolarHBondContact O-N 2.78Å; L107-G269 WeakPolarHBondContact CD2-O 3.28Å; L107-N452 WeakPolarHBondContact O-CB 3.36Å; L107-N452 PolarHBondContact O-ND2 3.47Å
108	E	91.5	Very high	93.6	Very high	93 Å²	93	37.1 Å²	37.1	44%	0.435	19%	0.189	S	C	.	.	S	Bend	trans	-82.1	154.1	179.3	-64.5	-177.4	-152.1	0	0	111.2	K105 V110 Q450 N452	K105-E108 HydrophobicContact CB-CB 4.12Å; K105-E108 HydrophobicContact CB-CG 4.16Å; K105-E108 WeakPolarHBondContact CD-OE2 3.2Å; K105-E108 IonicContact NZ-OE1 2.83Å; K105-E108 PolarHBondContact NZ-OE1 2.91Å; K105-E108 IonicContact NZ-OE2 3.19Å; K105-E108 PolarHBondContact NZ-OE2 3.41Å; K105-E108 PolarHBondContact O-N 2.83Å; E108-V110 PolarHBondContact O-N 3.2Å; E108-Q450 PolarHBondContact O-NE2 3.48Å; E108-N452 PolarHBondContact O-ND2 3.29Å
109	N	92.7	Very high	93.4	Very high	62 Å²	62	37.2 Å²	37.2	33%	0.332	19%	0.19	S	C	.	.			trans	-69.4	123.2	162.4	-66.9	-23	0	0	0	108.8	Q450 I451 N452 Q453	N109-Q450 WeakPolarHBondContact CA-O 3.36Å; N109-I451 HydrophobicContact CB-CD1 4.46Å; N109-I451 WeakPolarHBondContact OD1-CA 3.44Å; N109-N452 PolarHBondContact OD1-N 3.37Å; N109-Q453 PolarHBondContact ND2-O 2.97Å; N109-Q453 PolarHBondContact OD1-N 2.94Å
110	V	93.1	Very high	93.4	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.2	176.6	179.7	0	0	0	0	107.6	F98 V101 V102 K105 E108 G449 Q450	F98-V110 HydrophobicContact CD2-CG1 4.1Å; F98-V110 HydrophobicContact CE2-CB 4.15Å; F98-V110 HydrophobicContact CE2-CG1 3.86Å; V101-V110 HydrophobicContact CB-CG1 4.38Å; V101-V110 HydrophobicContact CG1-CG1 3.65Å; V101-V110 HydrophobicContact CG1-CG2 4.36Å; V102-V110 HydrophobicContact CG2-CB 4.13Å; V102-V110 HydrophobicContact CG2-CG1 4.3Å; V102-V110 HydrophobicContact CG2-CG2 4.31Å; K105-V110 HydrophobicContact CB-CG2 4.43Å; E108-V110 PolarHBondContact O-N 3.2Å; V110-G449 CarbonylContact O-C 3.45Å; V110-G449 WeakPolarHBondContact O-CA 3.3Å; V110-Q450 HydrophobicContact CB-CG 4.02Å; V110-Q450 HydrophobicContact CG2-CG 4.34Å; V110-Q450 PolarHBondContact N-O 3.08Å; V110-Q450 PolarHBondContact O-N 3.25Å
111	V	93.6	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.4	172	-180	0	0	0	0	108.3	A356 V358 I401 F435 F447 I451	V111-A356 HydrophobicContact CB-CB 4.11Å; V111-A356 HydrophobicContact CG2-CB 3.48Å; V111-A356 VanDerWaalsContact CG2-CB 3.48Å; V111-V358 HydrophobicContact CB-CB 4.31Å; V111-V358 HydrophobicContact CB-CG2 3.99Å; V111-V358 HydrophobicContact CG2-CG2 4.41Å; V111-V358 WeakPolarHBondContact O-CG1 3.48Å; V111-I401 HydrophobicContact CG1-CG2 4.11Å; V111-F435 HydrophobicContact CG1-CZ 3.96Å; V111-F435 HydrophobicContact CG2-CE1 3.95Å; V111-F435 HydrophobicContact CG2-CZ 3.82Å; V111-F447 HydrophobicContact CG1-CD1 4.18Å; V111-I451 HydrophobicContact CG2-CD1 4.28Å
112	L	94.5	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.7	173.9	75.7	82.6	0	0	0	111.3	V97 F98 V101 P114 V117 V360 F447 M448	V97-L112 HydrophobicContact CG1-CD2 4.44Å; F98-L112 HydrophobicContact CB-CD1 4.11Å; F98-L112 HydrophobicContact CB-CD2 3.52Å; F98-L112 HydrophobicContact CB-CG 3.93Å; F98-L112 HydrophobicContact CD2-CD2 3.64Å; F98-L112 HydrophobicContact CD2-CG 3.73Å; F98-L112 HydrophobicContact CG-CD2 4.07Å; F98-L112 HydrophobicContact CG-CG 4.3Å; V101-L112 HydrophobicContact CG2-CD2 4.46Å; L112-P114 HydrophobicContact CD1-CG 3.97Å; L112-P114 WeakPolarHBondContact O-CD 3.37Å; L112-V117 HydrophobicContact CD1-CG2 4.35Å; L112-V360 HydrophobicContact CB-CG2 4.46Å; L112-F447 WeakPolarHBondContact O-CA 3.33Å; L112-M448 PolarHBondContact N-O 3.33Å; L112-M448 PolarHBondContact O-N 3.39Å; L112-M448 VanDerWaalsContact O-O 3.09Å
113	S	96.3	Very high	93.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.			trans	-110.1	106	175.8	174.2	0	0	0	0	111.1	H115 G116 V117 I246 Q397 S399 L446	S113-H115 PolarHBondContact O-N 2.99Å; S113-G116 PolarHBondContact O-N 3.16Å; S113-G116 PolarHBondContact OG-N 3.15Å; S113-G116 VanDerWaalsContact OG-N 3.13Å; S113-V117 PolarHBondContact O-N 3.38Å; S113-V117 VanDerWaalsContact O-N 3.12Å; S113-I246 VanDerWaalsContact CB-CG2 3.45Å; S113-Q397 PolarHBondContact O-NE2 3.38Å; S113-Q397 PolarHBondContact O-OE1 3.43Å; S113-S399 PolarHBondContact N-OG 2.83Å; S113-L446 VanDerWaalsContact CA-O 3.29Å; S113-L446 WeakPolarHBondContact CA-O 3.23Å; S113-L446 WeakPolarHBondContact CB-O 3.34Å; S113-L446 PolarHBondContact OG-O 3.5Å
114	P	96.4	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-39.8	177.8	-30	39.2	0	0	0	112.5	L112 V117 A118 I445 M448	L112-P114 HydrophobicContact CD1-CG 3.97Å; L112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-V117 PolarHBondContact O-N 3.43Å; P114-A118 PolarHBondContact O-N 3.17Å; P114-I445 HydrophobicContact CB-CB 4.33Å; P114-I445 HydrophobicContact CB-CG2 4.38Å; P114-I445 HydrophobicContact CG-CB 4.25Å; P114-I445 HydrophobicContact CG-CG2 3.76Å; P114-M448 HydrophobicContact CG-CB 3.78Å
115	H	94.7	Very high	93.4	Very high	14 Å²	14	21 Å²	21	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-45.6	173.1	180	61.3	0	0	0	112.6	S113 V117 A118 S119 L158 T444 I445	S113-H115 PolarHBondContact O-N 2.99Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-V117 PolarHBondContact O-N 2.9Å; H115-A118 CarbonylContact O-C 3.55Å; H115-A118 WeakPolarHBondContact O-CA 3.36Å; H115-A118 WeakPolarHBondContact O-CB 3.16Å; H115-A118 PolarHBondContact O-N 2.88Å; H115-A118 VanDerWaalsContact O-N 3.11Å; H115-S119 PolarHBondContact NE2-OG 3.04Å; H115-S119 PolarHBondContact O-N 3.5Å; H115-S119 PolarHBondContact O-OG 3.45Å; H115-S119 VanDerWaalsContact O-OG 3.1Å; H115-L158 VanDerWaalsContact CE1-CD1 3.46Å; H115-L158 WeakPolarHBondContact CE1-CD1 3.25Å; H115-L158 WeakPolarHBondContact NE2-CD1 3.4Å; H115-T444 HydrophobicContact CB-CG2 3.75Å; H115-I445 PolarHBondContact N-O 3.41Å; H115-I445 VanDerWaalsContact N-O 3.17Å
116	G	94.6	Very high	93.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.8	-32.5	-177.9	0	0	0	0	0	114.2	S113 A118 S119 I120 N244 Q397	S113-G116 PolarHBondContact O-N 3.16Å; S113-G116 PolarHBondContact OG-N 3.15Å; S113-G116 VanDerWaalsContact OG-N 3.13Å; G116-A118 VanDerWaalsContact C-N 3.34Å; G116-S119 WeakPolarHBondContact O-CB 3.38Å; G116-S119 PolarHBondContact O-N 3.49Å; G116-I120 PolarHBondContact O-N 3.49Å; G116-N244 VanDerWaalsContact CA-CG 3.48Å; G116-N244 WeakPolarHBondContact CA-OD1 3.37Å; G116-Q397 VanDerWaalsContact C-NE2 3.3Å; G116-Q397 VanDerWaalsContact CA-NE2 3.27Å
117	V	96.1	Very high	93.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-47.6	170.1	174.7	0	0	0	0	109.9	V97 L112 S113 P114 H115 S119 I120 L121 L362 L366	V97-V117 HydrophobicContact CB-CG1 4.36Å; V97-V117 HydrophobicContact CG1-CG1 4.49Å; V97-V117 HydrophobicContact CG1-CG2 4.13Å; V97-V117 HydrophobicContact CG2-CG1 3.91Å; L112-V117 HydrophobicContact CD1-CG2 4.35Å; S113-V117 PolarHBondContact O-N 3.38Å; S113-V117 VanDerWaalsContact O-N 3.12Å; P114-V117 PolarHBondContact O-N 3.43Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-V117 PolarHBondContact O-N 2.9Å; V117-S119 VanDerWaalsContact C-N 3.29Å; V117-S119 PolarHBondContact O-N 2.97Å; V117-I120 PolarHBondContact O-N 3.37Å; V117-L121 PolarHBondContact O-N 3.33Å; V117-L362 HydrophobicContact CG2-CD1 4.03Å; V117-L362 HydrophobicContact CG2-CD2 3.85Å; V117-L366 HydrophobicContact CG1-CD2 4.06Å
118	A	94.4	Very high	93.7	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.033	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-32.3	176.3	0	0	0	0	0	112.5	G90 P114 H115 G116 G122 L140	G90-A118 VanDerWaalsContact CA-CB 3.5Å; P114-A118 PolarHBondContact O-N 3.17Å; H115-A118 CarbonylContact O-C 3.55Å; H115-A118 WeakPolarHBondContact O-CA 3.36Å; H115-A118 WeakPolarHBondContact O-CB 3.16Å; H115-A118 PolarHBondContact O-N 2.88Å; H115-A118 VanDerWaalsContact O-N 3.11Å; G116-A118 VanDerWaalsContact C-N 3.34Å; A118-G122 PolarHBondContact O-N 3.18Å; A118-L140 HydrophobicContact CB-CD2 3.88Å
119	S	93.8	Very high	93.8	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.014	4%	0.041	C	C	.	.	H	α-helix	trans	-62.5	-46	173.3	-56.9	0	0	0	0	111.6	H115 G116 V117 L121 G122 M123	H115-S119 PolarHBondContact NE2-OG 3.04Å; H115-S119 PolarHBondContact O-N 3.5Å; H115-S119 PolarHBondContact O-OG 3.45Å; H115-S119 VanDerWaalsContact O-OG 3.1Å; G116-S119 WeakPolarHBondContact O-CB 3.38Å; G116-S119 PolarHBondContact O-N 3.49Å; V117-S119 VanDerWaalsContact C-N 3.29Å; V117-S119 PolarHBondContact O-N 2.97Å; S119-L121 PolarHBondContact O-N 3Å; S119-G122 PolarHBondContact O-N 2.76Å; S119-M123 VanDerWaalsContact O-CG 3.29Å; S119-M123 WeakPolarHBondContact O-CG 3.47Å; S119-M123 PolarHBondContact O-N 3Å
120	I	95.4	Very high	93.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.3	-51.3	178.2	-74.9	169.2	0	0	0	111.2	G116 V117 G122 M123 L124 A242 N244 L362 A395 L396	G116-I120 PolarHBondContact O-N 3.49Å; V117-I120 PolarHBondContact O-N 3.37Å; I120-G122 VanDerWaalsContact C-N 3.3Å; I120-G122 PolarHBondContact O-N 3.38Å; I120-M123 HydrophobicContact CB-CE 4.49Å; I120-M123 HydrophobicContact CG1-CE 4.05Å; I120-M123 PolarHBondContact O-N 2.77Å; I120-M123 VanDerWaalsContact O-N 3.15Å; I120-L124 HydrophobicContact CG2-CD1 4.09Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 2.95Å; I120-L124 VanDerWaalsContact O-N 3.16Å; I120-A242 HydrophobicContact CG2-CB 4.11Å; I120-N244 HydrophobicContact CD1-CB 3.74Å; I120-N244 HydrophobicContact CG1-CB 3.77Å; I120-L362 HydrophobicContact CD1-CD1 3.5Å; I120-A395 HydrophobicContact CG2-CB 4.25Å; I120-L396 WeakPolarHBondContact CD1-O 3.48Å
121	L	95	Very high	94.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.5	-38.1	178.2	-66	178.6	0	0	0	112.2	L93 V117 S119 M123 L124 L125 I136 L140 L366 I371 M374	L93-L121 HydrophobicContact CD2-CD1 3.28Å; L93-L121 HydrophobicContact CG-CD1 4.48Å; V117-L121 PolarHBondContact O-N 3.33Å; S119-L121 PolarHBondContact O-N 3Å; L121-M123 VanDerWaalsContact C-N 3.26Å; L121-M123 PolarHBondContact O-N 2.95Å; L121-L124 PolarHBondContact O-N 3.44Å; L121-L125 WeakPolarHBondContact O-CB 3.5Å; L121-L125 PolarHBondContact O-N 2.84Å; L121-I136 HydrophobicContact CB-CG2 4.13Å; L121-I136 HydrophobicContact CD2-CG1 4.42Å; L121-L140 HydrophobicContact CB-CD1 3.87Å; L121-L140 HydrophobicContact CB-CD2 4.33Å; L121-L140 HydrophobicContact CB-CG 4.3Å; L121-L140 HydrophobicContact CD1-CD2 4.3Å; L121-L140 HydrophobicContact CD1-CG 4.35Å; L121-L366 HydrophobicContact CD1-CD2 4.03Å; L121-L366 HydrophobicContact CD2-CD1 4.28Å; L121-I371 HydrophobicContact CD1-CD1 3.91Å; L121-I371 HydrophobicContact CD2-CG2 4.23Å; L121-M374 HydrophobicContact CD2-CE 3.53Å; L121-M374 HydrophobicContact CD2-SD 3.84Å
122	G	92.3	Very high	94.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.2	-32.8	175.1	0	0	0	0	0	113.1	A118 S119 I120 P126 F193	A118-G122 PolarHBondContact O-N 3.18Å; S119-G122 PolarHBondContact O-N 2.76Å; I120-G122 VanDerWaalsContact C-N 3.3Å; I120-G122 PolarHBondContact O-N 3.38Å; G122-P126 WeakPolarHBondContact O-CD 3.35Å; G122-F193 VanDerWaalsContact C-CE2 3.47Å; G122-F193 VanDerWaalsContact O-CE2 3.25Å; G122-F193 WeakPolarHBondContact O-CE2 3.3Å; G122-F193 WeakPolarHBondContact O-CZ 3.47Å
123	M	93.2	Very high	94.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-75	-33.4	176.9	-73.2	-173.7	-64.6	0	0	113.5	S119 I120 L121 P126 N171 F185 N189 F193 C195	S119-M123 VanDerWaalsContact O-CG 3.29Å; S119-M123 WeakPolarHBondContact O-CG 3.47Å; S119-M123 PolarHBondContact O-N 3Å; I120-M123 HydrophobicContact CB-CE 4.49Å; I120-M123 HydrophobicContact CG1-CE 4.05Å; I120-M123 PolarHBondContact O-N 2.77Å; I120-M123 VanDerWaalsContact O-N 3.15Å; L121-M123 VanDerWaalsContact C-N 3.26Å; L121-M123 PolarHBondContact O-N 2.95Å; M123-P126 VanDerWaalsContact O-CD 3.31Å; M123-P126 WeakPolarHBondContact O-CD 3.3Å; M123-N171 HydrophobicContact CE-CB 4.09Å; M123-N171 HydrophobicContact SD-CB 3.59Å; M123-N171 VanDerWaalsContact SD-CB 3.59Å; M123-F185 WeakPolarHBondContact O-CE2 3.4Å; M123-N189 WeakPolarHBondContact CA-OD1 3.41Å; M123-N189 WeakPolarHBondContact CB-OD1 3.33Å; M123-N189 WeakPolarHBondContact CG-OD1 3.47Å; M123-N189 PolarHBondContact O-ND2 2.75Å; M123-N189 PolarHBondContact O-OD1 3.02Å; M123-F193 HydrophobicContact CB-CD2 4.47Å; M123-F193 HydrophobicContact CG-CB 3.91Å; M123-F193 HydrophobicContact CG-CD1 4.22Å; M123-F193 HydrophobicContact CG-CD2 3.59Å; M123-F193 HydrophobicContact CG-CE2 4.1Å; M123-F193 HydrophobicContact CG-CG 3.65Å; M123-F193 HydrophobicContact SD-CB 4.26Å; M123-C195 HydrophobicContact CG-CB 4.43Å; M123-C195 HydrophobicContact SD-CB 3.57Å; M123-C195 VanDerWaalsContact SD-CB 3.57Å; M123-C195 PolarHBondContact SD-SG 2.87Å
124	L	93.6	Very high	94.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-78.5	-29	177.9	-68.5	168.1	0	0	0	111.8	I120 L121 P126 G127 A128 I136 M173 L240 A242 M374 F382 V392	I120-L124 HydrophobicContact CG2-CD1 4.09Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 2.95Å; I120-L124 VanDerWaalsContact O-N 3.16Å; L121-L124 PolarHBondContact O-N 3.44Å; L124-P126 VanDerWaalsContact C-CD 3.46Å; L124-G127 PolarHBondContact O-N 3.03Å; L124-A128 PolarHBondContact O-N 2.71Å; L124-I136 HydrophobicContact CB-CD1 4.43Å; L124-M173 HydrophobicContact CD2-SD 4.48Å; L124-L240 HydrophobicContact CD2-CD2 4.06Å; L124-A242 HydrophobicContact CD1-CB 4.47Å; L124-A242 HydrophobicContact CD2-CB 4.5Å; L124-M374 HydrophobicContact CD1-CE 4.45Å; L124-M374 HydrophobicContact CD1-SD 4.02Å; L124-F382 HydrophobicContact CB-CE1 4.01Å; L124-F382 HydrophobicContact CB-CZ 4.29Å; L124-F382 HydrophobicContact CD2-CE1 4.02Å; L124-F382 HydrophobicContact CD2-CZ 4.07Å; L124-V392 HydrophobicContact CD1-CG2 3.78Å; L124-V392 HydrophobicContact CD2-CG2 3.78Å; L124-V392 HydrophobicContact CG-CG2 4.44Å
125	L	92.4	Very high	94.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.3	-175.2	-179.5	61.1	0	0	0	115.7	L121 G127 A128 R133 I136 I137 Y142	L121-L125 WeakPolarHBondContact O-CB 3.5Å; L121-L125 PolarHBondContact O-N 2.84Å; L125-G127 VanDerWaalsContact C-N 3.26Å; L125-G127 PolarHBondContact O-N 2.73Å; L125-A128 PolarHBondContact O-N 2.98Å; L125-R133 HydrophobicContact CD1-CG 4.03Å; L125-R133 PolarHBondContact O-NH1 3.35Å; L125-I136 HydrophobicContact CB-CG2 4.14Å; L125-I136 HydrophobicContact CD1-CB 4.36Å; L125-I136 HydrophobicContact CD1-CG2 3.93Å; L125-I136 HydrophobicContact CG-CG2 4.49Å; L125-I137 HydrophobicContact CD1-CD1 4Å; L125-I137 HydrophobicContact CD1-CG1 3.48Å; L125-I137 VanDerWaalsContact CD1-CG1 3.48Å; L125-I137 HydrophobicContact CD2-CG1 4.32Å; L125-Y142 HydrophobicContact CD2-CD2 4.43Å
126	P	90.1	Very high	94.1	Very high	20 Å²	20	19.6 Å²	19.6	13%	0.13	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.6	177.2	-10.9	20.1	0	0	0	113.9	G122 M123 L124 Y148 F185 T188	G122-P126 WeakPolarHBondContact O-CD 3.35Å; M123-P126 VanDerWaalsContact O-CD 3.31Å; M123-P126 WeakPolarHBondContact O-CD 3.3Å; L124-P126 VanDerWaalsContact C-CD 3.46Å; P126-Y148 VanDerWaalsContact CA-OH 3.29Å; P126-Y148 WeakPolarHBondContact CA-OH 3.44Å; P126-Y148 HydrophobicContact CB-CE1 4.28Å; P126-Y148 HydrophobicContact CG-CD1 4.44Å; P126-Y148 HydrophobicContact CG-CE1 3.58Å; P126-F185 HydrophobicContact CB-CD2 3.95Å; P126-F185 HydrophobicContact CB-CE2 4.24Å; P126-F185 HydrophobicContact CG-CD2 4.47Å; P126-F185 HydrophobicContact CG-CE2 4.39Å; P126-T188 HydrophobicContact CB-CG2 4.33Å; P126-T188 HydrophobicContact CG-CG2 4.16Å
127	G	91.6	Very high	94	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-20.4	179.8	0	0	0	0	0	113.4	L124 L125 F382 H384	L124-G127 PolarHBondContact O-N 3.03Å; L125-G127 VanDerWaalsContact C-N 3.26Å; L125-G127 PolarHBondContact O-N 2.73Å; G127-F382 CarbonylContact O-C 3.51Å; G127-F382 VanDerWaalsContact O-CA 3.31Å; G127-F382 WeakPolarHBondContact O-CA 3.35Å; G127-H384 WeakPolarHBondContact O-CB 3.31Å; G127-H384 PolarHBondContact O-N 3.28Å
128	A	93.5	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.			trans	-77.1	138.3	-178.5	0	0	0	0	0	113	L124 L125 T132 R133 I136 D381 F382	L124-A128 PolarHBondContact O-N 2.71Å; L125-A128 PolarHBondContact O-N 2.98Å; A128-T132 HydrophobicContact CB-CG2 3.99Å; A128-R133 HydrophobicContact CB-CB 4.16Å; A128-R133 WeakPolarHBondContact O-CB 3.29Å; A128-R133 WeakPolarHBondContact O-CD 3.49Å; A128-R133 WeakPolarHBondContact O-CG 3.48Å; A128-R133 PolarHBondContact O-NH1 3.5Å; A128-R133 VanDerWaalsContact O-NH1 3.09Å; A128-I136 HydrophobicContact CB-CD1 3.91Å; A128-D381 CarbonylContact C-O 3.53Å; A128-D381 WeakPolarHBondContact CA-O 3.36Å; A128-F382 HydrophobicContact CB-CD1 4.25Å; A128-F382 HydrophobicContact CB-CE1 3.9Å
129	Q	93.4	Very high	93.8	Very high	53 Å²	53	25.9 Å²	25.9	25%	0.248	14%	0.142	C	C	.	.			trans	-127.7	179.2	175.5	-77	-66.6	1.7	0	0	112.2	E131 T132 R133 D381 H384	Q129-E131 PolarHBondContact O-N 2.98Å; Q129-T132 WeakPolarHBondContact O-CB 3.35Å; Q129-T132 PolarHBondContact O-N 3.14Å; Q129-R133 WeakPolarHBondContact O-CB 3.46Å; Q129-R133 PolarHBondContact O-N 3.38Å; Q129-D381 HydrophobicContact CB-CB 4.41Å; Q129-D381 VanDerWaalsContact CB-CG 3.41Å; Q129-D381 WeakPolarHBondContact CB-OD1 3.27Å; Q129-D381 WeakPolarHBondContact CB-OD2 3.41Å; Q129-D381 PolarHBondContact N-O 3.46Å; Q129-H384 HydrophobicContact CG-CB 4.45Å; Q129-H384 PolarHBondContact NE2-CD2 3.09Å; Q129-H384 PolarHBondContact NE2-CE1 2.95Å; Q129-H384 PolarHBondContact NE2-ND1 3.28Å; Q129-H384 VanDerWaalsContact NE2-ND1 3.17Å; Q129-H384 PolarHBondContact NE2-NE2 3.06Å
130	G	94.5	Very high	93.7	Very high	34 Å²	34	25.8 Å²	25.8	35%	0.351	14%	0.141	S	C	.	.	H	α-helix	trans	55.9	-136.2	172.4	0	0	0	0	0	114.6	K134 D381	G130-K134 WeakPolarHBondContact O-CG 3.41Å; G130-K134 PolarHBondContact O-N 3.49Å; G130-D381 PolarHBondContact N-OD2 2.9Å
131	E	96.3	Very high	93.4	Very high	91 Å²	91	32.5 Å²	32.5	43%	0.425	17%	0.167	S	C	.	.	H	α-helix	trans	-73.3	-35.1	178.9	-164.3	56.6	-141.6	0	0	112.3	Q129 R133 K134 Q135 D373	Q129-E131 PolarHBondContact O-N 2.98Å; E131-R133 VanDerWaalsContact C-N 3.28Å; E131-R133 PolarHBondContact O-N 3.21Å; E131-K134 WeakPolarHBondContact O-CB 3.41Å; E131-K134 PolarHBondContact O-N 3.49Å; E131-K134 WeakPolarHBondContact OE2-CD 3.16Å; E131-K134 WeakPolarHBondContact OE2-CE 3.35Å; E131-K134 IonicContact OE2-NZ 2.87Å; E131-K134 PolarHBondContact OE2-NZ 3.33Å; E131-Q135 WeakPolarHBondContact O-CG 3.16Å; E131-Q135 PolarHBondContact O-N 3.34Å; E131-D373 WeakPolarHBondContact CB-OD2 3.5Å; E131-D373 WeakPolarHBondContact CG-OD2 3.41Å
132	T	96.6	Very high	92.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-51.9	-48.1	172.9	-64.6	0	0	0	0	111.1	A128 Q129 K134 Q135 I136 D373 M374 A379 D381 F382	A128-T132 HydrophobicContact CB-CG2 3.99Å; Q129-T132 WeakPolarHBondContact O-CB 3.35Å; Q129-T132 PolarHBondContact O-N 3.14Å; T132-K134 PolarHBondContact O-N 2.83Å; T132-Q135 PolarHBondContact O-N 3.47Å; T132-I136 HydrophobicContact CG2-CD1 4.23Å; T132-I136 WeakPolarHBondContact O-CG1 3.16Å; T132-I136 PolarHBondContact O-N 2.98Å; T132-D373 WeakPolarHBondContact OG1-CB 3.5Å; T132-M374 HydrophobicContact CG2-CB 3.76Å; T132-A379 PolarHBondContact OG1-O 3.03Å; T132-D381 PolarHBondContact OG1-N 3.46Å; T132-F382 HydrophobicContact CG2-CE2 4.27Å; T132-F382 HydrophobicContact CG2-CZ 4.14Å
133	R	94.6	Very high	92.2	Very high	46 Å²	46	39.9 Å²	39.9	17%	0.174	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-42.6	176	-172	-178.7	-176.8	71.4	11.6	112.5	L125 A128 Q129 E131 I136 I137	L125-R133 HydrophobicContact CD1-CG 4.03Å; L125-R133 PolarHBondContact O-NH1 3.35Å; A128-R133 HydrophobicContact CB-CB 4.16Å; A128-R133 WeakPolarHBondContact O-CB 3.29Å; A128-R133 WeakPolarHBondContact O-CD 3.49Å; A128-R133 WeakPolarHBondContact O-CG 3.48Å; A128-R133 PolarHBondContact O-NH1 3.5Å; A128-R133 VanDerWaalsContact O-NH1 3.09Å; Q129-R133 WeakPolarHBondContact O-CB 3.46Å; Q129-R133 PolarHBondContact O-N 3.38Å; E131-R133 VanDerWaalsContact C-N 3.28Å; E131-R133 PolarHBondContact O-N 3.21Å; R133-I136 PolarHBondContact O-N 2.85Å; R133-I137 HydrophobicContact CG-CD1 3.83Å; R133-I137 HydrophobicContact CG-CG1 4.37Å; R133-I137 WeakPolarHBondContact O-CG1 3.31Å; R133-I137 PolarHBondContact O-N 3.46Å
134	K	94.6	Very high	91	Very high	126 Å²	126	48.1 Å²	48.1	55%	0.548	23%	0.234	S	C	.	.	H	α-helix	trans	-64.3	-44	-178.9	-69.9	-177.5	-142.3	148.8	0	111.2	G130 E131 T132 I136 I137 S138	G130-K134 WeakPolarHBondContact O-CG 3.41Å; G130-K134 PolarHBondContact O-N 3.49Å; E131-K134 WeakPolarHBondContact O-CB 3.41Å; E131-K134 PolarHBondContact O-N 3.49Å; E131-K134 WeakPolarHBondContact OE2-CD 3.16Å; E131-K134 WeakPolarHBondContact OE2-CE 3.35Å; E131-K134 IonicContact OE2-NZ 2.87Å; E131-K134 PolarHBondContact OE2-NZ 3.33Å; T132-K134 PolarHBondContact O-N 2.83Å; K134-I136 PolarHBondContact O-N 2.96Å; K134-I137 PolarHBondContact O-N 2.87Å; K134-S138 WeakPolarHBondContact O-CB 3.13Å; K134-S138 PolarHBondContact O-N 3.27Å
135	Q	96.4	Very high	89.8	Confident	33 Å²	33	55.3 Å²	55.3	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-49.7	175.5	-69.3	178.5	3	0	0	110.8	E131 T132 S138 A139 G370 D373	E131-Q135 WeakPolarHBondContact O-CG 3.16Å; E131-Q135 PolarHBondContact O-N 3.34Å; T132-Q135 PolarHBondContact O-N 3.47Å; Q135-S138 PolarHBondContact O-N 3.48Å; Q135-A139 WeakPolarHBondContact O-CB 3.29Å; Q135-A139 PolarHBondContact O-N 2.73Å; Q135-G370 VanDerWaalsContact CD-O 3.25Å; Q135-G370 WeakPolarHBondContact CG-O 3.29Å; Q135-G370 PolarHBondContact OE1-O 3.19Å; Q135-D373 PolarHBondContact NE2-OD1 2.98Å; Q135-D373 PolarHBondContact NE2-OD2 3.27Å; Q135-D373 VanDerWaalsContact NE2-OD2 3.14Å; Q135-D373 VanDerWaalsContact OE1-N 3.12Å
136	I	94.7	Very high	88.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-48.1	179.8	-64.4	170.5	0	0	0	112	L121 L124 L125 A128 T132 R133 K134 S138 A139 L140 I371 M374	L121-I136 HydrophobicContact CB-CG2 4.13Å; L121-I136 HydrophobicContact CD2-CG1 4.42Å; L124-I136 HydrophobicContact CB-CD1 4.43Å; L125-I136 HydrophobicContact CB-CG2 4.14Å; L125-I136 HydrophobicContact CD1-CB 4.36Å; L125-I136 HydrophobicContact CD1-CG2 3.93Å; L125-I136 HydrophobicContact CG-CG2 4.49Å; A128-I136 HydrophobicContact CB-CD1 3.91Å; T132-I136 HydrophobicContact CG2-CD1 4.23Å; T132-I136 WeakPolarHBondContact O-CG1 3.16Å; T132-I136 PolarHBondContact O-N 2.98Å; R133-I136 PolarHBondContact O-N 2.85Å; K134-I136 PolarHBondContact O-N 2.96Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3.27Å; I136-A139 PolarHBondContact O-N 3.47Å; I136-L140 HydrophobicContact CG2-CD1 3.76Å; I136-L140 WeakPolarHBondContact O-CB 3.46Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.35Å; I136-I371 HydrophobicContact CG1-CG2 4.22Å; I136-M374 HydrophobicContact CD1-SD 4.09Å; I136-M374 HydrophobicContact CG1-SD 4.28Å
137	I	92.6	Very high	87.4	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-64.3	-41.6	-179.5	-70.9	178.2	0	0	0	111.3	L125 R133 K134 R141 Y142	L125-I137 HydrophobicContact CD1-CD1 4Å; L125-I137 HydrophobicContact CD1-CG1 3.48Å; L125-I137 VanDerWaalsContact CD1-CG1 3.48Å; L125-I137 HydrophobicContact CD2-CG1 4.32Å; R133-I137 HydrophobicContact CG-CD1 3.83Å; R133-I137 HydrophobicContact CG-CG1 4.37Å; R133-I137 WeakPolarHBondContact O-CG1 3.31Å; R133-I137 PolarHBondContact O-N 3.46Å; K134-I137 PolarHBondContact O-N 2.87Å; I137-R141 WeakPolarHBondContact O-CA 3.36Å; I137-R141 PolarHBondContact O-N 3.2Å; I137-Y142 PolarHBondContact O-N 3.26Å
138	S	92.8	Very high	86.6	Confident	90 Å²	90	57.8 Å²	57.8	63%	0.629	29%	0.286	S	S	*	.	H	α-helix	trans	-61.7	-49.3	179	-174.2	0	0	0	0	110.6	K134 Q135 I136 L140 R141	K134-S138 WeakPolarHBondContact O-CB 3.13Å; K134-S138 PolarHBondContact O-N 3.27Å; Q135-S138 PolarHBondContact O-N 3.48Å; I136-S138 VanDerWaalsContact C-N 3.35Å; I136-S138 PolarHBondContact O-N 3.27Å; S138-L140 PolarHBondContact O-N 2.84Å; S138-R141 WeakPolarHBondContact O-CG 3.38Å; S138-R141 PolarHBondContact O-N 3.41Å; S138-R141 VanDerWaalsContact O-N 3.12Å
139	A	93.4	Very high	85.9	Confident	20 Å²	20	66.9 Å²	66.9	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-46.3	179.3	0	0	0	0	0	112.8	L93 Q135 I136 R141 I371	L93-A139 HydrophobicContact CD1-CB 3.99Å; L93-A139 HydrophobicContact CD2-CB 3.96Å; Q135-A139 WeakPolarHBondContact O-CB 3.29Å; Q135-A139 PolarHBondContact O-N 2.73Å; I136-A139 PolarHBondContact O-N 3.47Å; A139-R141 PolarHBondContact O-N 3.12Å; A139-I371 HydrophobicContact CB-CD1 3.43Å; A139-I371 VanDerWaalsContact CB-CD1 3.43Å; A139-I371 HydrophobicContact CB-CG1 3.85Å
140	L	90.7	Very high	85.5	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-73.5	-13.6	177.8	-71	169.5	0	0	0	113.2	R89 L93 A118 L121 I136 S138 Y142	R89-L140 WeakPolarHBondContact CB-O 3.31Å; L93-L140 HydrophobicContact CD2-CD2 3.64Å; L93-L140 HydrophobicContact CD2-CG 4.05Å; A118-L140 HydrophobicContact CB-CD2 3.88Å; L121-L140 HydrophobicContact CB-CD1 3.87Å; L121-L140 HydrophobicContact CB-CD2 4.33Å; L121-L140 HydrophobicContact CB-CG 4.3Å; L121-L140 HydrophobicContact CD1-CD2 4.3Å; L121-L140 HydrophobicContact CD1-CG 4.35Å; I136-L140 HydrophobicContact CG2-CD1 3.76Å; I136-L140 WeakPolarHBondContact O-CB 3.46Å; I136-L140 WeakPolarHBondContact O-CG 3.29Å; I136-L140 PolarHBondContact O-N 3.35Å; S138-L140 PolarHBondContact O-N 2.84Å; L140-Y142 HydrophobicContact CB-CD1 3.82Å; L140-Y142 HydrophobicContact CB-CD2 3.76Å; L140-Y142 HydrophobicContact CB-CE1 4.03Å; L140-Y142 HydrophobicContact CB-CE2 4.01Å; L140-Y142 HydrophobicContact CB-CG 3.69Å; L140-Y142 HydrophobicContact CD1-CD2 3.75Å; L140-Y142 HydrophobicContact CD1-CE2 3.71Å; L140-Y142 HydrophobicContact CD2-CE2 4.22Å; L140-Y142 HydrophobicContact CG-CD2 4.31Å; L140-Y142 HydrophobicContact CG-CE2 4.22Å; L140-Y142 WeakPolarHBondContact O-CD1 3.43Å; L140-Y142 WeakPolarHBondContact O-CE1 3.29Å; L140-Y142 PolarHBondContact O-N 3.03Å
141	R	89.5	Confident	84.9	Confident	142 Å²	142	67.1 Å²	67.1	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36.5	-171.9	-57.3	179.2	177.2	153.1	2.8	112.3	R89 D92 I137 S138 A139	R89-R141 WeakPolarHBondContact CD-O 3.29Å; R89-R141 PolarHBondContact NH1-O 3.03Å; D92-R141 IonicContact OD2-CZ 3.66Å; D92-R141 IonicContact OD2-NH1 2.73Å; D92-R141 PolarHBondContact OD2-NH1 3.13Å; D92-R141 IonicContact OD2-NH2 3.9Å; I137-R141 WeakPolarHBondContact O-CA 3.36Å; I137-R141 PolarHBondContact O-N 3.2Å; S138-R141 WeakPolarHBondContact O-CG 3.38Å; S138-R141 PolarHBondContact O-N 3.41Å; S138-R141 VanDerWaalsContact O-N 3.12Å; A139-R141 PolarHBondContact O-N 3.12Å
142	Y	84.3	Confident	84.5	Confident	17 Å²	17	68 Å²	68	7%	0.067	32%	0.321	C	S	.	.			trans	-84.2	161.3	-179.9	-73.9	-2.4	0	0	0	111.6	Y86 R89 L125 I137 L140 P147 L151	Y86-Y142 AromaticContact CD1-CD1 3.59Å; Y86-Y142 HydrophobicContact CD1-CD1 3.59Å; Y86-Y142 AromaticContact CD1-CE1 3.65Å; Y86-Y142 HydrophobicContact CD1-CE1 3.65Å; Y86-Y142 HydrophobicContact CD1-CG 4.24Å; Y86-Y142 HydrophobicContact CE1-CD1 4.01Å; Y86-Y142 HydrophobicContact CE1-CG 4.37Å; R89-Y142 HydrophobicContact CB-CD1 4.46Å; R89-Y142 HydrophobicContact CB-CE1 4.09Å; L125-Y142 HydrophobicContact CD2-CD2 4.43Å; I137-Y142 PolarHBondContact O-N 3.26Å; L140-Y142 HydrophobicContact CB-CD1 3.82Å; L140-Y142 HydrophobicContact CB-CD2 3.76Å; L140-Y142 HydrophobicContact CB-CE1 4.03Å; L140-Y142 HydrophobicContact CB-CE2 4.01Å; L140-Y142 HydrophobicContact CB-CG 3.69Å; L140-Y142 HydrophobicContact CD1-CD2 3.75Å; L140-Y142 HydrophobicContact CD1-CE2 3.71Å; L140-Y142 HydrophobicContact CD2-CE2 4.22Å; L140-Y142 HydrophobicContact CG-CD2 4.31Å; L140-Y142 HydrophobicContact CG-CE2 4.22Å; L140-Y142 WeakPolarHBondContact O-CD1 3.43Å; L140-Y142 WeakPolarHBondContact O-CE1 3.29Å; L140-Y142 PolarHBondContact O-N 3.03Å; Y142-P147 HydrophobicContact CD1-CG 4.17Å; Y142-P147 HydrophobicContact CD2-CG 3.21Å; Y142-P147 HydrophobicContact CE2-CG 3.6Å; Y142-P147 HydrophobicContact CG-CG 3.52Å; Y142-L151 HydrophobicContact CE2-CD1 3.94Å; Y142-L151 HydrophobicContact CE2-CD2 3.96Å; Y142-L151 HydrophobicContact CE2-CG 4.48Å; Y142-L151 WeakPolarHBondContact OH-CD2 3.12Å
143	K	78.4	Confident	84.1	Confident	138 Å²	138	73.7 Å²	73.7	60%	0.6	35%	0.346	S	S	*	.			trans	-68.2	146.1	172.8	-66.8	-172.9	-179.6	-173.3	0	109.5	N145 G146	K143-N145 PolarHBondContact O-N 3.49Å; K143-N145 VanDerWaalsContact O-N 3.12Å; K143-G146 PolarHBondContact O-N 3.29Å
144	K	67.4	Low	83.9	Confident	174 Å²	174	72.1 Å²	72.1	76%	0.757	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.7	-177.1	-72.5	-172.1	175.3	-175.2	0	114.1	G146	K144-G146 PolarHBondContact O-N 3.41Å
145	N	67	Low	83.7	Confident	151 Å²	151	66.3 Å²	66.3	81%	0.807	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	3.5	-178.8	-59.5	1.7	0	0	0	113.7	K143	K143-N145 PolarHBondContact O-N 3.49Å; K143-N145 VanDerWaalsContact O-N 3.12Å
146	G	64.3	Low	83.4	Confident	16 Å²	16	72 Å²	72	17%	0.165	34%	0.339	C	S	.	.			trans	76.3	138.2	-179.7	0	0	0	0	0	113.1	K143 K144 Y148	K143-G146 PolarHBondContact O-N 3.29Å; K144-G146 PolarHBondContact O-N 3.41Å; G146-Y148 VanDerWaalsContact C-N 3.32Å; G146-Y148 PolarHBondContact O-N 2.85Å
147	P	69.8	Low	83.3	Confident	8 Å²	8	75 Å²	75	5%	0.052	36%	0.355	C	S	.	.			trans	-94.5	33.4	-177.9	35	-30	0	0	0	113.7	Y86 Y142 K149 M150 L151	Y86-P147 HydrophobicContact CD1-CB 3.55Å; Y86-P147 HydrophobicContact CD1-CG 3.74Å; Y86-P147 HydrophobicContact CE1-CB 3.2Å; Y86-P147 HydrophobicContact CE1-CG 3.65Å; Y86-P147 HydrophobicContact CE2-CB 4.23Å; Y86-P147 HydrophobicContact CG-CB 4.22Å; Y142-P147 HydrophobicContact CD1-CG 4.17Å; Y142-P147 HydrophobicContact CD2-CG 3.21Å; Y142-P147 HydrophobicContact CE2-CG 3.6Å; Y142-P147 HydrophobicContact CG-CG 3.52Å; P147-K149 PolarHBondContact O-N 2.85Å; P147-M150 HydrophobicContact CB-CB 4.4Å; P147-M150 CarbonylContact O-C 3.55Å; P147-M150 WeakPolarHBondContact O-CA 3.4Å; P147-M150 WeakPolarHBondContact O-CB 3.43Å; P147-M150 PolarHBondContact O-N 3.41Å; P147-L151 HydrophobicContact CB-CG 4.41Å; P147-L151 HydrophobicContact CG-CD1 3.97Å; P147-L151 HydrophobicContact CG-CD2 4.3Å; P147-L151 HydrophobicContact CG-CG 3.96Å; P147-L151 WeakPolarHBondContact O-CG 3.42Å; P147-L151 PolarHBondContact O-N 3.09Å
148	Y	73.9	Confident	83.3	Confident	47 Å²	47	73.8 Å²	73.8	18%	0.184	35%	0.35	C	S	.	.	H	α-helix	trans	-50.2	-49.6	-169.6	-59.6	-55.3	0	0	0	114.6	P126 G146 M150 L151 K152 N192	P126-Y148 VanDerWaalsContact CA-OH 3.29Å; P126-Y148 WeakPolarHBondContact CA-OH 3.44Å; P126-Y148 HydrophobicContact CB-CE1 4.28Å; P126-Y148 HydrophobicContact CG-CD1 4.44Å; P126-Y148 HydrophobicContact CG-CE1 3.58Å; G146-Y148 VanDerWaalsContact C-N 3.32Å; G146-Y148 PolarHBondContact O-N 2.85Å; Y148-M150 PolarHBondContact O-N 3.24Å; Y148-L151 PolarHBondContact O-N 3.04Å; Y148-K152 PolarHBondContact O-N 3.47Å; Y148-N192 WeakPolarHBondContact CB-ND2 3.47Å; Y148-N192 PolarHBondContact O-OD1 3.39Å
149	K	79.4	Confident	83.2	Confident	192 Å²	192	71.7 Å²	71.7	84%	0.835	33%	0.333	S	S	*	.	H	α-helix	trans	-58.1	-36.6	175.6	-70.3	-175.5	179.1	179.5	0	112.6	P147 K153	P147-K149 PolarHBondContact O-N 2.85Å; K149-K153 PolarHBondContact O-N 2.87Å
150	M	83.4	Confident	83.1	Confident	83 Å²	83	72.5 Å²	72.5	41%	0.409	34%	0.338	S	S	.	.	H	α-helix	trans	-78.8	-34.6	-179.2	-164.7	53.7	72.5	0	0	112.2	Y86 P147 Y148 K153 L154	Y86-M150 HydrophobicContact CD2-CB 3.97Å; Y86-M150 HydrophobicContact CD2-CG 3.32Å; Y86-M150 HydrophobicContact CE2-CB 4.1Å; Y86-M150 HydrophobicContact CE2-CG 3.79Å; Y86-M150 HydrophobicContact CG-CG 4.09Å; P147-M150 HydrophobicContact CB-CB 4.4Å; P147-M150 CarbonylContact O-C 3.55Å; P147-M150 WeakPolarHBondContact O-CA 3.4Å; P147-M150 WeakPolarHBondContact O-CB 3.43Å; P147-M150 PolarHBondContact O-N 3.41Å; Y148-M150 PolarHBondContact O-N 3.24Å; M150-K153 PolarHBondContact O-N 2.96Å; M150-K153 HydrophobicContact SD-CB 4.35Å; M150-K153 HydrophobicContact SD-CD 4.09Å; M150-L154 WeakPolarHBondContact O-CB 3.43Å; M150-L154 PolarHBondContact O-N 3.15Å
151	L	82.5	Confident	83	Confident	9 Å²	9	82.4 Å²	82.4	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-41.3	173.4	-62.5	-179.2	0	0	0	111.3	Y142 P147 Y148 K153 L154 H155 F193	Y142-L151 HydrophobicContact CE2-CD1 3.94Å; Y142-L151 HydrophobicContact CE2-CD2 3.96Å; Y142-L151 HydrophobicContact CE2-CG 4.48Å; Y142-L151 WeakPolarHBondContact OH-CD2 3.12Å; P147-L151 HydrophobicContact CB-CG 4.41Å; P147-L151 HydrophobicContact CG-CD1 3.97Å; P147-L151 HydrophobicContact CG-CD2 4.3Å; P147-L151 HydrophobicContact CG-CG 3.96Å; P147-L151 WeakPolarHBondContact O-CG 3.42Å; P147-L151 PolarHBondContact O-N 3.09Å; Y148-L151 PolarHBondContact O-N 3.04Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 2.99Å; L151-L154 WeakPolarHBondContact O-CB 3.16Å; L151-L154 PolarHBondContact O-N 2.88Å; L151-H155 WeakPolarHBondContact O-CB 3.48Å; L151-H155 PolarHBondContact O-N 3.24Å; L151-F193 HydrophobicContact CB-CE1 4.23Å; L151-F193 HydrophobicContact CB-CZ 4.25Å; L151-F193 HydrophobicContact CD1-CE1 3.95Å; L151-F193 HydrophobicContact CD1-CE2 4.46Å; L151-F193 HydrophobicContact CD1-CZ 3.46Å; L151-F193 VanDerWaalsContact CD1-CZ 3.46Å; L151-F193 HydrophobicContact CG-CZ 4.45Å
152	K	87.4	Confident	83	Confident	110 Å²	110	79.6 Å²	79.6	48%	0.478	38%	0.383	S	S	.	.	H	α-helix	trans	-56.7	-47	171.2	-175	172.2	-172.8	173.3	0	112.1	Y148 K156 A191	Y148-K152 PolarHBondContact O-N 3.47Å; K152-K156 WeakPolarHBondContact O-CB 3.34Å; K152-K156 PolarHBondContact O-N 3.18Å; K152-A191 WeakPolarHBondContact CD-O 3.16Å; K152-A191 WeakPolarHBondContact CE-O 3.48Å; K152-A191 VanDerWaalsContact CG-O 3.28Å; K152-A191 WeakPolarHBondContact CG-O 3.18Å
153	K	90	Very high	83.2	Confident	121 Å²	121	79 Å²	79	53%	0.526	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.2	-174.2	178.2	-179.9	179.7	0	111.4	K149 M150 L151 K156 N157	K149-K153 PolarHBondContact O-N 2.87Å; M150-K153 PolarHBondContact O-N 2.96Å; M150-K153 HydrophobicContact SD-CB 4.35Å; M150-K153 HydrophobicContact SD-CD 4.09Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 2.99Å; K153-K156 PolarHBondContact O-N 2.75Å; K153-N157 WeakPolarHBondContact O-CB 3.32Å; K153-N157 VanDerWaalsContact O-CG 3.23Å; K153-N157 PolarHBondContact O-N 2.77Å; K153-N157 PolarHBondContact O-OD1 2.71Å
154	L	90	Very high	83.7	Confident	12 Å²	12	78.3 Å²	78.3	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-53.9	177.5	178.7	61.1	0	0	0	110.7	M150 L151 K156 N157 L158 T442	M150-L154 WeakPolarHBondContact O-CB 3.43Å; M150-L154 PolarHBondContact O-N 3.15Å; L151-L154 WeakPolarHBondContact O-CB 3.16Å; L151-L154 PolarHBondContact O-N 2.88Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 2.83Å; L154-N157 WeakPolarHBondContact O-CB 3.35Å; L154-N157 PolarHBondContact O-N 3.03Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.35Å; L154-L158 HydrophobicContact CD1-CG 4.12Å; L154-L158 HydrophobicContact CG-CD1 4.02Å; L154-L158 HydrophobicContact CG-CG 4.41Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.03Å; L154-T442 HydrophobicContact CD1-CG2 3.77Å
155	H	89.5	Confident	84.7	Confident	5 Å²	5	70.6 Å²	70.6	2%	0.023	35%	0.347	C	S	.	.	H	α-helix	trans	-54.2	-48.5	178	-171.9	87.1	0	0	0	111.4	L151 N157 L158 T159 Q194	L151-H155 WeakPolarHBondContact O-CB 3.48Å; L151-H155 PolarHBondContact O-N 3.24Å; H155-N157 VanDerWaalsContact C-N 3.31Å; H155-N157 PolarHBondContact O-N 3.13Å; H155-L158 PolarHBondContact O-N 3.48Å; H155-T159 PolarHBondContact O-N 3.23Å; H155-T159 PolarHBondContact O-OG1 2.81Å; H155-Q194 VanDerWaalsContact CD2-CD 3.46Å; H155-Q194 PolarHBondContact CD2-NE2 2.94Å; H155-Q194 PolarHBondContact NE2-OE1 3.42Å
156	K	90.5	Very high	85.7	Confident	151 Å²	151	67 Å²	67	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-57.4	-41.5	176.3	-175	-178.9	178.4	-178.1	0	112.7	K152 K153 L154 S160	K152-K156 WeakPolarHBondContact O-CB 3.34Å; K152-K156 PolarHBondContact O-N 3.18Å; K153-K156 PolarHBondContact O-N 2.75Å; L154-K156 VanDerWaalsContact C-N 3.32Å; L154-K156 PolarHBondContact O-N 2.83Å; K156-S160 WeakPolarHBondContact O-CB 3.24Å; K156-S160 PolarHBondContact O-N 2.81Å; K156-S160 VanDerWaalsContact O-N 3.16Å
157	N	92.6	Very high	87	Confident	63 Å²	63	66.7 Å²	66.7	34%	0.337	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-39.4	178.9	-74.4	-1.4	0	0	0	111.8	K153 L154 H155 N163 T442	K153-N157 WeakPolarHBondContact O-CB 3.32Å; K153-N157 VanDerWaalsContact O-CG 3.23Å; K153-N157 PolarHBondContact O-N 2.77Å; K153-N157 PolarHBondContact O-OD1 2.71Å; L154-N157 WeakPolarHBondContact O-CB 3.35Å; L154-N157 PolarHBondContact O-N 3.03Å; H155-N157 VanDerWaalsContact C-N 3.31Å; H155-N157 PolarHBondContact O-N 3.13Å; N157-N163 PolarHBondContact O-ND2 3Å; N157-T442 HydrophobicContact CB-CG2 4.33Å
158	L	92.3	Very high	88	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-69.3	-39.8	-179.4	-62.5	175.5	0	0	0	111.9	H115 L154 H155 N163 I169 H439 T444 L446	H115-L158 VanDerWaalsContact CE1-CD1 3.46Å; H115-L158 WeakPolarHBondContact CE1-CD1 3.25Å; H115-L158 WeakPolarHBondContact NE2-CD1 3.4Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.35Å; L154-L158 HydrophobicContact CD1-CG 4.12Å; L154-L158 HydrophobicContact CG-CD1 4.02Å; L154-L158 HydrophobicContact CG-CG 4.41Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.03Å; H155-L158 PolarHBondContact O-N 3.48Å; L158-N163 PolarHBondContact O-ND2 3.36Å; L158-I169 HydrophobicContact CB-CD1 4.27Å; L158-I169 HydrophobicContact CD1-CD1 4.35Å; L158-H439 HydrophobicContact CD2-CB 3.62Å; L158-H439 WeakPolarHBondContact CD2-ND1 3.43Å; L158-T444 HydrophobicContact CD1-CG2 4.05Å; L158-T444 HydrophobicContact CD2-CG2 4.25Å; L158-L446 HydrophobicContact CD1-CD2 4.15Å; L158-L446 HydrophobicContact CD2-CD2 4.1Å; L158-L446 HydrophobicContact CG-CD2 4.49Å
159	T	90.9	Very high	88.9	Confident	45 Å²	45	66 Å²	66	28%	0.276	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.2	-178.7	68.6	0	0	0	0	113.3	H155 I169	H155-T159 PolarHBondContact O-N 3.23Å; H155-T159 PolarHBondContact O-OG1 2.81Å; T159-I169 HydrophobicContact CG2-CB 4.32Å; T159-I169 HydrophobicContact CG2-CD1 4.03Å; T159-I169 HydrophobicContact CG2-CG1 4.33Å
160	S	91.4	Very high	89.5	Confident	38 Å²	38	57.5 Å²	57.5	27%	0.266	28%	0.284	S	S	.	.			trans	-70.1	135.4	-176.9	-176.2	0	0	0	0	111.2	K156 S162 N163	K156-S160 WeakPolarHBondContact O-CB 3.24Å; K156-S160 PolarHBondContact O-N 2.81Å; K156-S160 VanDerWaalsContact O-N 3.16Å; S160-S162 WeakPolarHBondContact CB-OG 3.38Å; S160-S162 PolarHBondContact O-N 3.28Å; S160-S162 VanDerWaalsContact O-N 3.15Å; S160-S162 WeakPolarHBondContact OG-CB 3.36Å; S160-S162 PolarHBondContact OG-N 3.32Å; S160-S162 PolarHBondContact OG-OG 2.94Å; S160-N163 WeakPolarHBondContact O-CB 3.46Å; S160-N163 PolarHBondContact O-N 2.94Å
161	K	88.3	Confident	90.1	Very high	207 Å²	207	53.6 Å²	53.6	90%	0.9	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.6	-23.6	170.8	-66.3	-175	179.7	-179	0	112.6	N163 Q164	K161-N163 PolarHBondContact O-N 2.83Å; K161-Q164 PolarHBondContact O-N 3.38Å; K161-Q164 VanDerWaalsContact O-N 3.09Å
162	S	89.6	Confident	90.7	Very high	84 Å²	84	53.1 Å²	53.1	59%	0.587	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.6	175.2	65.8	0	0	0	0	113.3	S160 Q164	S160-S162 WeakPolarHBondContact CB-OG 3.38Å; S160-S162 PolarHBondContact O-N 3.28Å; S160-S162 VanDerWaalsContact O-N 3.15Å; S160-S162 WeakPolarHBondContact OG-CB 3.36Å; S160-S162 PolarHBondContact OG-N 3.32Å; S160-S162 PolarHBondContact OG-OG 2.94Å; S162-Q164 PolarHBondContact O-N 3.35Å
163	N	89.4	Confident	91	Very high	5 Å²	5	48 Å²	48	3%	0.027	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-71.5	-15.9	175.3	-66.9	-26.4	0	0	0	112.7	N157 L158 S160 K161 D165 G307 T309 H439	N157-N163 PolarHBondContact O-ND2 3Å; L158-N163 PolarHBondContact O-ND2 3.36Å; S160-N163 WeakPolarHBondContact O-CB 3.46Å; S160-N163 PolarHBondContact O-N 2.94Å; K161-N163 PolarHBondContact O-N 2.83Å; N163-D165 PolarHBondContact O-N 3.22Å; N163-G307 WeakPolarHBondContact O-CA 3.31Å; N163-T309 WeakPolarHBondContact CB-OG1 3.42Å; N163-T309 PolarHBondContact OD1-OG1 2.87Å; N163-H439 PolarHBondContact OD1-NE2 3.34Å
164	Q	88.4	Confident	91.3	Very high	123 Å²	123	42.2 Å²	42.2	58%	0.575	22%	0.215	S	C	*	.			trans	62.5	-29.8	-177.2	-52.2	179.8	8.4	0	0	115.4	K161 S162 H306	K161-Q164 PolarHBondContact O-N 3.38Å; K161-Q164 VanDerWaalsContact O-N 3.09Å; S162-Q164 PolarHBondContact O-N 3.35Å; Q164-H306 PolarHBondContact OE1-CD2 3.11Å; Q164-H306 VanDerWaalsContact OE1-CD2 3.28Å; Q164-H306 PolarHBondContact OE1-NE2 3.01Å; Q164-H306 VanDerWaalsContact OE1-NE2 3.11Å
165	D	88.5	Confident	91.5	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.059	21%	0.212	C	C	.	.	S	Bend	trans	-85.9	141	171.5	-62	-65.3	0	0	0	111.2	N163 V167 F248 G250 S251 Y305 G307 I310	N163-D165 PolarHBondContact O-N 3.22Å; D165-V167 PolarHBondContact O-N 3.3Å; D165-F248 HydrophobicContact CB-CE2 4.09Å; D165-F248 HydrophobicContact CB-CZ 4.5Å; D165-G250 WeakPolarHBondContact OD1-CA 3.4Å; D165-S251 PolarHBondContact OD1-N 3.12Å; D165-S251 VanDerWaalsContact OD1-N 3.13Å; D165-Y305 VanDerWaalsContact OD2-CB 3.23Å; D165-Y305 WeakPolarHBondContact OD2-CB 3.47Å; D165-G307 PolarHBondContact OD2-N 3.09Å; D165-G307 VanDerWaalsContact OD2-N 3.13Å; D165-I310 HydrophobicContact CB-CD1 4.25Å
166	L	87.9	Confident	91.7	Very high	75 Å²	75	42.7 Å²	42.7	39%	0.393	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	106.2	-176.7	178.2	63.1	0	0	0	110.5	Y247 F248 K249	L166-Y247 HydrophobicContact CD2-CD1 4.33Å; L166-Y247 HydrophobicContact CD2-CE1 3.85Å; L166-F248 WeakPolarHBondContact O-CA 3.13Å; L166-F248 WeakPolarHBondContact O-CD2 3.39Å; L166-K249 WeakPolarHBondContact CB-O 3.39Å; L166-K249 PolarHBondContact N-O 3.46Å; L166-K249 PolarHBondContact O-N 3.34Å
167	V	90.8	Very high	91.7	Very high	10 Å²	10	39.4 Å²	39.4	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118	164.8	-178.5	0	0	0	0	108.2	D165 I169 F248 I310 L446	D165-V167 PolarHBondContact O-N 3.3Å; V167-I169 HydrophobicContact CG1-CD1 4.12Å; V167-I169 HydrophobicContact CG1-CG1 4.08Å; V167-F248 HydrophobicContact CG2-CD2 3.71Å; V167-F248 HydrophobicContact CG2-CE2 4.04Å; V167-I310 HydrophobicContact CG2-CD1 3.4Å; V167-L446 HydrophobicContact CG1-CD1 4.22Å; V167-L446 HydrophobicContact CG1-CD2 4.37Å; V167-L446 HydrophobicContact CG2-CD1 3.82Å
168	Q	91.1	Very high	91.2	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.8	176.9	-178.1	161.3	5.8	0	0	110.2	K219 I246 Y247	Q168-K219 PolarHBondContact NE2-O 2.75Å; Q168-I246 WeakPolarHBondContact O-CA 3.47Å; Q168-Y247 HydrophobicContact CB-CD1 4.43Å; Q168-Y247 PolarHBondContact N-O 3.27Å; Q168-Y247 PolarHBondContact O-N 3.06Å
169	I	92.7	Very high	90.8	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.9	177.2	-60.7	163.7	0	0	0	107.4	L158 T159 V167 I246	L158-I169 HydrophobicContact CB-CD1 4.27Å; L158-I169 HydrophobicContact CD1-CD1 4.35Å; T159-I169 HydrophobicContact CG2-CB 4.32Å; T159-I169 HydrophobicContact CG2-CD1 4.03Å; T159-I169 HydrophobicContact CG2-CG1 4.33Å; V167-I169 HydrophobicContact CG1-CD1 4.12Å; V167-I169 HydrophobicContact CG1-CG1 4.08Å; I169-I246 HydrophobicContact CD1-CD1 4.41Å; I169-I246 HydrophobicContact CG1-CD1 3.87Å; I169-I246 HydrophobicContact CG1-CG1 3.88Å
170	T	92.1	Very high	90.5	Very high	13 Å²	13	43.2 Å²	43.2	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.6	178.9	-69.3	0	0	0	0	108.5	W215 K219 S245	T170-W215 HydrophobicContact CG2-CH2 3.25Å; T170-W215 HydrophobicContact CG2-CZ2 3.75Å; T170-W215 HydrophobicContact CG2-CZ3 3.76Å; T170-K219 HydrophobicContact CG2-CB 3.51Å; T170-K219 HydrophobicContact CG2-CD 4.42Å; T170-K219 HydrophobicContact CG2-CG 3.71Å; T170-S245 WeakPolarHBondContact CB-OG 3.39Å; T170-S245 PolarHBondContact N-O 3.41Å; T170-S245 PolarHBondContact O-N 3.38Å; T170-S245 PolarHBondContact O-OG 3.45Å
171	N	95.3	Very high	90.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.3	-171	-70.6	-43.2	0	0	0	108.9	M123 F193 C195 E196 W215 L243 N244	M123-N171 HydrophobicContact CE-CB 4.09Å; M123-N171 HydrophobicContact SD-CB 3.59Å; M123-N171 VanDerWaalsContact SD-CB 3.59Å; N171-F193 PolarHBondContact ND2-O 3.41Å; N171-C195 HydrophobicContact CB-CB 4.04Å; N171-C195 WeakPolarHBondContact O-CA 3.08Å; N171-E196 PolarHBondContact O-N 3.37Å; N171-W215 WeakPolarHBondContact O-CH2 3.46Å; N171-W215 WeakPolarHBondContact O-CZ2 3.46Å; N171-L243 WeakPolarHBondContact CA-O 3.28Å; N171-N244 PolarHBondContact OD1-ND2 3.47Å
172	G	95.1	Very high	90.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.5	-175.7	0	0	0	0	0	111.1	E196 L243	G172-E196 WeakPolarHBondContact CA-O 3.35Å; G172-L243 PolarHBondContact N-O 2.83Å; G172-L243 PolarHBondContact O-N 3.48Å
173	M	95.4	Very high	90.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	114.3	175.9	-174.3	160.1	45.1	0	0	109.5	L124 M181 F185 N189 E196 S197 R198 L240 V241	L124-M173 HydrophobicContact CD2-SD 4.48Å; M173-M181 HydrophobicContact CE-SD 4.45Å; M173-M181 HydrophobicContact CG-SD 4.22Å; M173-F185 HydrophobicContact CE-CD1 4.2Å; M173-F185 HydrophobicContact CE-CE1 3.12Å; M173-F185 HydrophobicContact CE-CZ 3.39Å; M173-F185 HydrophobicContact SD-CE1 3.7Å; M173-F185 HydrophobicContact SD-CZ 3.63Å; M173-N189 HydrophobicContact CE-CB 4.46Å; M173-E196 PolarHBondContact N-O 3.47Å; M173-S197 VanDerWaalsContact O-CA 3.26Å; M173-S197 WeakPolarHBondContact O-CA 3.34Å; M173-R198 PolarHBondContact O-N 3.41Å; M173-R198 VanDerWaalsContact O-N 3.14Å; M173-L240 HydrophobicContact CG-CD1 3.67Å; M173-L240 HydrophobicContact SD-CD1 4.4Å; M173-V241 WeakPolarHBondContact CA-O 3.48Å
174	F	95.3	Very high	90.7	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.4	-171.9	-55	-76.4	0	0	0	109.8	R198 L200 F202 Y211 I212 W215 L240 V241	F174-R198 VanDerWaalsContact CA-O 3.24Å; F174-R198 WeakPolarHBondContact CA-O 3.17Å; F174-R198 HydrophobicContact CD1-CB 4.15Å; F174-R198 HydrophobicContact CE1-CB 4.37Å; F174-L200 HydrophobicContact CB-CD1 3.78Å; F174-L200 HydrophobicContact CB-CG 4.22Å; F174-L200 HydrophobicContact CD1-CD1 3.67Å; F174-L200 HydrophobicContact CD1-CG 4.07Å; F174-L200 HydrophobicContact CE1-CD1 4.48Å; F174-L200 HydrophobicContact CG-CD1 3.82Å; F174-L200 HydrophobicContact CG-CG 4.47Å; F174-F202 HydrophobicContact CB-CZ 3.9Å; F174-Y211 AromaticContact CE1-CE1 3.99Å; F174-Y211 HydrophobicContact CE1-CE1 3.99Å; F174-I212 HydrophobicContact CD2-CD1 4.09Å; F174-I212 HydrophobicContact CD2-CG1 3.96Å; F174-I212 HydrophobicContact CE2-CG1 4.03Å; F174-I212 HydrophobicContact CE2-CG2 4.36Å; F174-I212 HydrophobicContact CG-CD1 4.42Å; F174-I212 HydrophobicContact CG-CG1 4.27Å; F174-I212 HydrophobicContact CZ-CG1 4.41Å; F174-W215 HydrophobicContact CE2-CE3 4.31Å; F174-W215 HydrophobicContact CE2-CZ3 4.41Å; F174-W215 AromaticContact CZ-CD2 3.82Å; F174-W215 HydrophobicContact CZ-CD2 3.82Å; F174-W215 AromaticContact CZ-CE3 3.83Å; F174-W215 HydrophobicContact CZ-CE3 3.83Å; F174-W215 HydrophobicContact CZ-CG 4.27Å; F174-W215 HydrophobicContact CZ-CH2 4.48Å; F174-W215 HydrophobicContact CZ-CZ2 4.48Å; F174-W215 HydrophobicContact CZ-CZ3 4.21Å; F174-L240 WeakPolarHBondContact O-CA 3.47Å; F174-V241 HydrophobicContact CB-CB 4.41Å; F174-V241 PolarHBondContact N-O 3.08Å; F174-V241 PolarHBondContact O-N 3.1Å
175	S	94.6	Very high	90.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	156.7	176.9	70.4	0	0	0	0	111.4	F179 R198 S199 L200 R239	S175-F179 PolarHBondContact OG-O 2.87Å; S175-F179 VanDerWaalsContact OG-O 3.14Å; S175-R198 PolarHBondContact N-O 3.4Å; S175-R198 VanDerWaalsContact N-O 3.09Å; S175-S199 CarbonylContact O-C 3.59Å; S175-S199 VanDerWaalsContact O-CA 3.27Å; S175-S199 WeakPolarHBondContact O-CA 3.37Å; S175-S199 PolarHBondContact OG-OG 3.44Å; S175-S199 VanDerWaalsContact OG-OG 3.13Å; S175-L200 PolarHBondContact O-N 3.43Å; S175-R239 CarbonylContact C-O 3.52Å; S175-R239 VanDerWaalsContact CA-O 3.3Å; S175-R239 WeakPolarHBondContact CA-O 3.36Å
176	Q	93.9	Very high	91	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	141.1	170.9	176.7	55.4	21.7	0	0	110.1	G178 F179 L200 D201 F202 R239	Q176-G178 PolarHBondContact O-N 3.19Å; Q176-F179 HydrophobicContact CB-CD2 3.65Å; Q176-F179 HydrophobicContact CB-CE2 4.08Å; Q176-F179 HydrophobicContact CG-CD2 3.89Å; Q176-F179 HydrophobicContact CG-CE2 3.96Å; Q176-F179 WeakPolarHBondContact O-CB 3.4Å; Q176-F179 PolarHBondContact O-N 2.92Å; Q176-L200 CarbonylContact C-O 3.46Å; Q176-L200 WeakPolarHBondContact CA-O 3.45Å; Q176-L200 PolarHBondContact OE1-O 2.96Å; Q176-D201 PolarHBondContact NE2-OD1 2.98Å; Q176-F202 HydrophobicContact CB-CD2 3.91Å; Q176-F202 HydrophobicContact CB-CE2 4.43Å; Q176-R239 PolarHBondContact N-O 3.08Å
177	N	89.9	Confident	91.2	Very high	82 Å²	82	39.9 Å²	39.9	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.5	170.7	-80.7	-9.2	0	0	0	110.7	S199 L200	N177-S199 VanDerWaalsContact OD1-C 3.3Å; N177-S199 VanDerWaalsContact OD1-CB 3.28Å; N177-S199 WeakPolarHBondContact OD1-CB 3.36Å; N177-L200 PolarHBondContact N-O 2.9Å; N177-L200 PolarHBondContact OD1-N 2.98Å; N177-L200 PolarHBondContact OD1-O 2.88Å
178	G	83.2	Confident	91.1	Very high	69 Å²	69	41.7 Å²	41.7	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-6.5	-173	0	0	0	0	0	114.6	Q176 P180	Q176-G178 PolarHBondContact O-N 3.19Å; G178-P180 WeakPolarHBondContact O-CD 3.46Å
179	F	84	Confident	91.1	Very high	41 Å²	41	40.2 Å²	40.2	18%	0.18	24%	0.238	C	C	.	.			trans	-107.5	88.2	171.5	-65.4	-92.6	0	0	0	110.1	S175 Q176 M181 R239 E388	S175-F179 PolarHBondContact OG-O 2.87Å; S175-F179 VanDerWaalsContact OG-O 3.14Å; Q176-F179 HydrophobicContact CB-CD2 3.65Å; Q176-F179 HydrophobicContact CB-CE2 4.08Å; Q176-F179 HydrophobicContact CG-CD2 3.89Å; Q176-F179 HydrophobicContact CG-CE2 3.96Å; Q176-F179 WeakPolarHBondContact O-CB 3.4Å; Q176-F179 PolarHBondContact O-N 2.92Å; F179-M181 PolarHBondContact O-N 3.19Å; F179-R239 VanDerWaalsContact CE2-CD 3.49Å; F179-E388 HydrophobicContact CD1-CB 3.74Å; F179-E388 HydrophobicContact CD1-CG 4.47Å; F179-E388 HydrophobicContact CE1-CB 3.87Å
180	P	83.1	Confident	91.1	Very high	80 Å²	80	46.9 Å²	46.9	52%	0.519	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.6	130.9	178.2	27.9	-33.3	0	0	0	109.7	G178 S386	G178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-S386 VanDerWaalsContact O-CB 3.31Å; P180-S386 WeakPolarHBondContact O-CB 3.17Å; P180-S386 PolarHBondContact O-OG 3.45Å
181	M	90.8	Very high	90.9	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.074	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-87.8	138	170.1	-71.9	-176.5	-79.7	0	0	109.5	M173 F179 E183 F185 M186 L385	M173-M181 HydrophobicContact CE-SD 4.45Å; M173-M181 HydrophobicContact CG-SD 4.22Å; F179-M181 PolarHBondContact O-N 3.19Å; M181-E183 PolarHBondContact O-N 2.9Å; M181-F185 HydrophobicContact SD-CE1 4.3Å; M181-M186 HydrophobicContact CB-CE 4.5Å; M181-M186 HydrophobicContact CB-CG 3.91Å; M181-M186 HydrophobicContact CB-SD 3.95Å; M181-M186 HydrophobicContact CE-SD 4.34Å; M181-M186 WeakPolarHBondContact O-CE 3.11Å; M181-L385 CarbonylContact C-O 3.48Å; M181-L385 VanDerWaalsContact CA-O 3.3Å; M181-L385 WeakPolarHBondContact CA-O 3.48Å; M181-L385 HydrophobicContact CG-CD2 3.77Å; M181-L385 HydrophobicContact CG-CG 4.49Å; M181-L385 HydrophobicContact SD-CD2 4.44Å
182	E	91.8	Very high	90.6	Very high	79 Å²	79	49 Å²	49	37%	0.369	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-56.1	131	176.1	-76	-62	148.2	0	0	111.6	T184 F185 M186 L385	E182-T184 VanDerWaalsContact C-N 3.28Å; E182-T184 PolarHBondContact O-N 3.33Å; E182-F185 HydrophobicContact CB-CB 3.98Å; E182-F185 WeakPolarHBondContact O-CB 3.36Å; E182-F185 PolarHBondContact O-N 2.92Å; E182-F185 VanDerWaalsContact O-N 3.12Å; E182-M186 PolarHBondContact O-N 2.97Å; E182-L385 PolarHBondContact N-O 3.35Å
183	E	91.1	Very high	90.3	Very high	155 Å²	155	49.3 Å²	49.3	72%	0.724	29%	0.285	S	S	*	.	H	α-helix	trans	-61.8	-38.6	-176.6	-67.7	-171.3	169.2	0	0	112	M181 F185 M186 A187	M181-E183 PolarHBondContact O-N 2.9Å; E183-F185 VanDerWaalsContact C-N 3.3Å; E183-F185 PolarHBondContact O-N 2.77Å; E183-M186 HydrophobicContact CG-CE 4.31Å; E183-M186 PolarHBondContact O-N 3.06Å; E183-A187 VanDerWaalsContact O-CB 3.28Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 3.01Å
184	T	90.3	Very high	90.1	Very high	103 Å²	103	54.5 Å²	54.5	63%	0.632	31%	0.309	S	S	*	.	H	α-helix	trans	-64.6	-36.6	178.3	61.2	0	0	0	0	111.7	E182 T188	E182-T184 VanDerWaalsContact C-N 3.28Å; E182-T184 PolarHBondContact O-N 3.33Å; T184-T188 VanDerWaalsContact O-CB 3.29Å; T184-T188 WeakPolarHBondContact O-CB 3.36Å; T184-T188 PolarHBondContact O-N 3.05Å; T184-T188 PolarHBondContact O-OG1 3.42Å
185	F	90.5	Very high	90	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.022	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-49	174.3	169.3	-98.3	0	0	0	111.1	M123 P126 M173 M181 E182 E183 A187 T188 N189 L385	M123-F185 WeakPolarHBondContact O-CE2 3.4Å; P126-F185 HydrophobicContact CB-CD2 3.95Å; P126-F185 HydrophobicContact CB-CE2 4.24Å; P126-F185 HydrophobicContact CG-CD2 4.47Å; P126-F185 HydrophobicContact CG-CE2 4.39Å; M173-F185 HydrophobicContact CE-CD1 4.2Å; M173-F185 HydrophobicContact CE-CE1 3.12Å; M173-F185 HydrophobicContact CE-CZ 3.39Å; M173-F185 HydrophobicContact SD-CE1 3.7Å; M173-F185 HydrophobicContact SD-CZ 3.63Å; M181-F185 HydrophobicContact SD-CE1 4.3Å; E182-F185 HydrophobicContact CB-CB 3.98Å; E182-F185 WeakPolarHBondContact O-CB 3.36Å; E182-F185 PolarHBondContact O-N 2.92Å; E182-F185 VanDerWaalsContact O-N 3.12Å; E183-F185 VanDerWaalsContact C-N 3.3Å; E183-F185 PolarHBondContact O-N 2.77Å; F185-A187 PolarHBondContact O-N 3.11Å; F185-T188 PolarHBondContact O-N 3.17Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.42Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.5Å; F185-N189 WeakPolarHBondContact O-CB 2.98Å; F185-N189 PolarHBondContact O-N 2.93Å; F185-N189 PolarHBondContact O-ND2 2.89Å; F185-L385 HydrophobicContact CD1-CD1 4.5Å; F185-L385 HydrophobicContact CD1-CG 4.04Å; F185-L385 HydrophobicContact CE1-CD1 3.65Å; F185-L385 HydrophobicContact CE1-CG 3.64Å; F185-L385 HydrophobicContact CE2-CD1 4.12Å; F185-L385 HydrophobicContact CE2-CG 4.4Å; F185-L385 HydrophobicContact CZ-CD1 3.44Å; F185-L385 VanDerWaalsContact CZ-CD1 3.44Å; F185-L385 HydrophobicContact CZ-CG 3.87Å
186	M	92.3	Very high	90	Very high	57 Å²	57	58.3 Å²	58.3	28%	0.281	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-44.7	177	-68.1	-169.4	-69.9	0	0	111.8	M181 E182 E183 T188 N189 K190	M181-M186 HydrophobicContact CB-CE 4.5Å; M181-M186 HydrophobicContact CB-CG 3.91Å; M181-M186 HydrophobicContact CB-SD 3.95Å; M181-M186 HydrophobicContact CE-SD 4.34Å; M181-M186 WeakPolarHBondContact O-CE 3.11Å; E182-M186 PolarHBondContact O-N 2.97Å; E183-M186 HydrophobicContact CG-CE 4.31Å; E183-M186 PolarHBondContact O-N 3.06Å; M186-T188 PolarHBondContact O-N 2.87Å; M186-N189 PolarHBondContact O-N 3.22Å; M186-K190 WeakPolarHBondContact O-CB 3.25Å; M186-K190 PolarHBondContact O-N 3.38Å
187	A	91.1	Very high	89.9	Confident	59 Å²	59	58.6 Å²	58.6	49%	0.488	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-42.5	178.2	0	0	0	0	0	112	E183 F185 N189 K190 A191	E183-A187 VanDerWaalsContact O-CB 3.28Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 3.01Å; F185-A187 PolarHBondContact O-N 3.11Å; A187-N189 PolarHBondContact O-N 3.39Å; A187-K190 PolarHBondContact O-N 3.45Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.2Å; A187-A191 PolarHBondContact O-N 2.86Å
188	T	89.2	Confident	90.1	Very high	48 Å²	48	61.1 Å²	61.1	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-44.4	175.6	-63.7	0	0	0	0	111.1	P126 T184 F185 M186 A191 N192	P126-T188 HydrophobicContact CB-CG2 4.33Å; P126-T188 HydrophobicContact CG-CG2 4.16Å; T184-T188 VanDerWaalsContact O-CB 3.29Å; T184-T188 WeakPolarHBondContact O-CB 3.36Å; T184-T188 PolarHBondContact O-N 3.05Å; T184-T188 PolarHBondContact O-OG1 3.42Å; F185-T188 PolarHBondContact O-N 3.17Å; M186-T188 PolarHBondContact O-N 2.87Å; T188-A191 PolarHBondContact O-N 2.92Å; T188-N192 VanDerWaalsContact CG2-ND2 3.33Å; T188-N192 WeakPolarHBondContact CG2-ND2 3.33Å; T188-N192 WeakPolarHBondContact O-CB 3.29Å; T188-N192 VanDerWaalsContact O-CG 3.25Å; T188-N192 PolarHBondContact O-N 3.39Å; T188-N192 PolarHBondContact O-ND2 3.46Å
189	N	91.4	Very high	90.6	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-42.8	179.4	-92.9	-51.3	0	0	0	113.2	M123 M173 F185 M186 A187 A191 N192 F193 Q194 C195	M123-N189 WeakPolarHBondContact CA-OD1 3.41Å; M123-N189 WeakPolarHBondContact CB-OD1 3.33Å; M123-N189 WeakPolarHBondContact CG-OD1 3.47Å; M123-N189 PolarHBondContact O-ND2 2.75Å; M123-N189 PolarHBondContact O-OD1 3.02Å; M173-N189 HydrophobicContact CE-CB 4.46Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.42Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.5Å; F185-N189 WeakPolarHBondContact O-CB 2.98Å; F185-N189 PolarHBondContact O-N 2.93Å; F185-N189 PolarHBondContact O-ND2 2.89Å; M186-N189 PolarHBondContact O-N 3.22Å; A187-N189 PolarHBondContact O-N 3.39Å; N189-A191 VanDerWaalsContact C-N 3.31Å; N189-A191 PolarHBondContact O-N 3.05Å; N189-N192 PolarHBondContact O-N 3.46Å; N189-F193 PolarHBondContact O-N 3.04Å; N189-F193 WeakPolarHBondContact OD1-CD2 3.28Å; N189-Q194 PolarHBondContact O-N 3.15Å; N189-C195 HydrophobicContact CB-CB 4.11Å
190	K	92.4	Very high	91.1	Very high	150 Å²	150	58.7 Å²	58.7	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-59.3	-43	173	-172.3	172.7	-176	175.4	0	111.4	M186 A187 Q194	M186-K190 WeakPolarHBondContact O-CB 3.25Å; M186-K190 PolarHBondContact O-N 3.38Å; A187-K190 PolarHBondContact O-N 3.45Å; K190-Q194 VanDerWaalsContact O-CA 3.29Å; K190-Q194 WeakPolarHBondContact O-CA 3.26Å; K190-Q194 PolarHBondContact O-N 2.95Å; K190-Q194 VanDerWaalsContact O-N 3.15Å
191	A	89	Confident	91.6	Very high	43 Å²	43	58 Å²	58	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-36	-179.3	0	0	0	0	0	113.6	K152 A187 T188 N189	K152-A191 WeakPolarHBondContact CD-O 3.16Å; K152-A191 WeakPolarHBondContact CE-O 3.48Å; K152-A191 VanDerWaalsContact CG-O 3.28Å; K152-A191 WeakPolarHBondContact CG-O 3.18Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.2Å; A187-A191 PolarHBondContact O-N 2.86Å; T188-A191 PolarHBondContact O-N 2.92Å; N189-A191 VanDerWaalsContact C-N 3.31Å; N189-A191 PolarHBondContact O-N 3.05Å
192	N	87.4	Confident	91.9	Very high	14 Å²	14	57.3 Å²	57.3	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-95.5	-35.4	-172.3	-63.9	-34.6	0	0	0	114.1	Y148 T188 N189	Y148-N192 WeakPolarHBondContact CB-ND2 3.47Å; Y148-N192 PolarHBondContact O-OD1 3.39Å; T188-N192 VanDerWaalsContact CG2-ND2 3.33Å; T188-N192 WeakPolarHBondContact CG2-ND2 3.33Å; T188-N192 WeakPolarHBondContact O-CB 3.29Å; T188-N192 VanDerWaalsContact O-CG 3.25Å; T188-N192 PolarHBondContact O-N 3.39Å; T188-N192 PolarHBondContact O-ND2 3.46Å; N189-N192 PolarHBondContact O-N 3.46Å
193	F	89.1	Confident	92	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-122.3	-0.3	-171.8	-59.2	-78.9	0	0	0	113.3	G122 M123 L151 N171 N189 C195	G122-F193 VanDerWaalsContact C-CE2 3.47Å; G122-F193 VanDerWaalsContact O-CE2 3.25Å; G122-F193 WeakPolarHBondContact O-CE2 3.3Å; G122-F193 WeakPolarHBondContact O-CZ 3.47Å; M123-F193 HydrophobicContact CB-CD2 4.47Å; M123-F193 HydrophobicContact CG-CB 3.91Å; M123-F193 HydrophobicContact CG-CD1 4.22Å; M123-F193 HydrophobicContact CG-CD2 3.59Å; M123-F193 HydrophobicContact CG-CE2 4.1Å; M123-F193 HydrophobicContact CG-CG 3.65Å; M123-F193 HydrophobicContact SD-CB 4.26Å; L151-F193 HydrophobicContact CB-CE1 4.23Å; L151-F193 HydrophobicContact CB-CZ 4.25Å; L151-F193 HydrophobicContact CD1-CE1 3.95Å; L151-F193 HydrophobicContact CD1-CE2 4.46Å; L151-F193 HydrophobicContact CD1-CZ 3.46Å; L151-F193 VanDerWaalsContact CD1-CZ 3.46Å; L151-F193 HydrophobicContact CG-CZ 4.45Å; N171-F193 PolarHBondContact ND2-O 3.41Å; N189-F193 PolarHBondContact O-N 3.04Å; N189-F193 WeakPolarHBondContact OD1-CD2 3.28Å; F193-C195 HydrophobicContact CB-CB 4.23Å; F193-C195 PolarHBondContact O-N 2.93Å; F193-C195 VanDerWaalsContact O-N 3.16Å
194	Q	91.3	Very high	92.2	Very high	110 Å²	110	53.2 Å²	53.2	51%	0.514	29%	0.291	S	S	.	.			trans	52	34	-169.2	-59.5	167.9	2.4	0	0	111.1	H155 N189 K190	H155-Q194 VanDerWaalsContact CD2-CD 3.46Å; H155-Q194 PolarHBondContact CD2-NE2 2.94Å; H155-Q194 PolarHBondContact NE2-OE1 3.42Å; N189-Q194 PolarHBondContact O-N 3.15Å; K190-Q194 VanDerWaalsContact O-CA 3.29Å; K190-Q194 WeakPolarHBondContact O-CA 3.26Å; K190-Q194 PolarHBondContact O-N 2.95Å; K190-Q194 VanDerWaalsContact O-N 3.15Å
195	C	93.8	Very high	92.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.2	179.6	-178.7	0	0	0	0	109.6	M123 N171 N189 F193	M123-C195 HydrophobicContact CG-CB 4.43Å; M123-C195 HydrophobicContact SD-CB 3.57Å; M123-C195 VanDerWaalsContact SD-CB 3.57Å; M123-C195 PolarHBondContact SD-SG 2.87Å; N171-C195 HydrophobicContact CB-CB 4.04Å; N171-C195 WeakPolarHBondContact O-CA 3.08Å; N189-C195 HydrophobicContact CB-CB 4.11Å; F193-C195 HydrophobicContact CB-CB 4.23Å; F193-C195 PolarHBondContact O-N 2.93Å; F193-C195 VanDerWaalsContact O-N 3.16Å
196	E	94.1	Very high	92.8	Very high	80 Å²	80	53.1 Å²	53.1	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.2	168	-64.4	-168.9	173.3	0	0	109.8	N171 G172 M173 W215 K219	N171-E196 PolarHBondContact O-N 3.37Å; G172-E196 WeakPolarHBondContact CA-O 3.35Å; M173-E196 PolarHBondContact N-O 3.47Å; E196-W215 HydrophobicContact CB-CZ2 4Å; E196-W215 HydrophobicContact CG-CZ2 4.47Å; E196-W215 PolarHBondContact OE2-NE1 2.97Å; E196-K219 VanDerWaalsContact CD-CE 3.42Å; E196-K219 WeakPolarHBondContact OE1-CE 3.16Å; E196-K219 IonicContact OE1-NZ 2.55Å; E196-K219 PolarHBondContact OE1-NZ 3.41Å; E196-K219 WeakPolarHBondContact OE2-CE 3.19Å; E196-K219 IonicContact OE2-NZ 3.06Å; E196-K219 PolarHBondContact OE2-NZ 3.09Å
197	S	93.3	Very high	93	Very high	31 Å²	31	52.7 Å²	52.7	22%	0.217	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.6	-179	-58.3	0	0	0	0	109.2	M173	M173-S197 VanDerWaalsContact O-CA 3.26Å; M173-S197 WeakPolarHBondContact O-CA 3.34Å
198	R	92.8	Very high	93.2	Very high	134 Å²	134	50.1 Å²	50.1	51%	0.506	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147	179.2	-171.6	172.6	-179.5	151.3	1.5	111	M173 F174 S175 L200 Y211	M173-R198 PolarHBondContact O-N 3.41Å; M173-R198 VanDerWaalsContact O-N 3.14Å; F174-R198 VanDerWaalsContact CA-O 3.24Å; F174-R198 WeakPolarHBondContact CA-O 3.17Å; F174-R198 HydrophobicContact CD1-CB 4.15Å; F174-R198 HydrophobicContact CE1-CB 4.37Å; S175-R198 PolarHBondContact N-O 3.4Å; S175-R198 VanDerWaalsContact N-O 3.09Å; R198-L200 HydrophobicContact CG-CD2 4.34Å; R198-Y211 WeakPolarHBondContact CD-OH 3.45Å; R198-Y211 PolarHBondContact NH1-OH 3.19Å
199	S	93.6	Very high	93.5	Very high	47 Å²	47	47.9 Å²	47.9	33%	0.329	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	168.7	-55	0	0	0	0	110.9	S175 N177	S175-S199 CarbonylContact O-C 3.59Å; S175-S199 VanDerWaalsContact O-CA 3.27Å; S175-S199 WeakPolarHBondContact O-CA 3.37Å; S175-S199 PolarHBondContact OG-OG 3.44Å; S175-S199 VanDerWaalsContact OG-OG 3.13Å; N177-S199 VanDerWaalsContact OD1-C 3.3Å; N177-S199 VanDerWaalsContact OD1-CB 3.28Å; N177-S199 WeakPolarHBondContact OD1-CB 3.36Å
200	L	94.6	Very high	93.7	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.068	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.7	178.4	-59.3	-178.8	0	0	0	109.7	F174 S175 Q176 N177 R198 F202 Y211 I212	F174-L200 HydrophobicContact CB-CD1 3.78Å; F174-L200 HydrophobicContact CB-CG 4.22Å; F174-L200 HydrophobicContact CD1-CD1 3.67Å; F174-L200 HydrophobicContact CD1-CG 4.07Å; F174-L200 HydrophobicContact CE1-CD1 4.48Å; F174-L200 HydrophobicContact CG-CD1 3.82Å; F174-L200 HydrophobicContact CG-CG 4.47Å; S175-L200 PolarHBondContact O-N 3.43Å; Q176-L200 CarbonylContact C-O 3.46Å; Q176-L200 WeakPolarHBondContact CA-O 3.45Å; Q176-L200 PolarHBondContact OE1-O 2.96Å; N177-L200 PolarHBondContact N-O 2.9Å; N177-L200 PolarHBondContact OD1-N 2.98Å; N177-L200 PolarHBondContact OD1-O 2.88Å; R198-L200 HydrophobicContact CG-CD2 4.34Å; L200-F202 HydrophobicContact CB-CE1 4.27Å; L200-F202 HydrophobicContact CB-CZ 4.29Å; L200-F202 HydrophobicContact CD1-CE1 4.26Å; L200-F202 HydrophobicContact CD1-CZ 4.46Å; L200-F202 PolarHBondContact O-N 3.4Å; L200-Y211 HydrophobicContact CD1-CD1 3.77Å; L200-Y211 HydrophobicContact CD1-CE1 4.44Å; L200-Y211 HydrophobicContact CD2-CD1 3.4Å; L200-Y211 VanDerWaalsContact CD2-CD1 3.4Å; L200-Y211 HydrophobicContact CD2-CE1 3.72Å; L200-Y211 HydrophobicContact CD2-CG 3.87Å; L200-Y211 HydrophobicContact CG-CD1 4.24Å; L200-I212 HydrophobicContact CD1-CD1 4.01Å; L200-I212 HydrophobicContact CD1-CG1 3.75Å
201	D	94.9	Very high	93.9	Very high	65 Å²	65	48.4 Å²	48.4	35%	0.348	27%	0.268	S	S	.	.			trans	-91.9	95.3	170.9	-174.9	14.2	0	0	0	110.6	Q176 S203 N204	Q176-D201 PolarHBondContact NE2-OD1 2.98Å; D201-S203 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact OD1-CB 3.24Å; D201-S203 WeakPolarHBondContact OD1-CB 3.5Å; D201-S203 PolarHBondContact OD1-N 2.76Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; D201-S203 PolarHBondContact OD2-OG 3.15Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å; D201-N204 PolarHBondContact O-N 3.43Å
202	F	95.6	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.9	174.4	-59.2	-61.2	0	0	0	113.4	F174 Q176 L200 N204 P205 A208 I212 L233 S235 T238 V241	F174-F202 HydrophobicContact CB-CZ 3.9Å; Q176-F202 HydrophobicContact CB-CD2 3.91Å; Q176-F202 HydrophobicContact CB-CE2 4.43Å; L200-F202 HydrophobicContact CB-CE1 4.27Å; L200-F202 HydrophobicContact CB-CZ 4.29Å; L200-F202 HydrophobicContact CD1-CE1 4.26Å; L200-F202 HydrophobicContact CD1-CZ 4.46Å; L200-F202 PolarHBondContact O-N 3.4Å; F202-N204 PolarHBondContact O-N 3.41Å; F202-N204 VanDerWaalsContact O-N 3.16Å; F202-P205 VanDerWaalsContact O-CD 3.3Å; F202-P205 WeakPolarHBondContact O-CD 3.44Å; F202-A208 HydrophobicContact CD1-CB 3.65Å; F202-A208 HydrophobicContact CE1-CB 4.07Å; F202-I212 HydrophobicContact CE1-CD1 4.32Å; F202-L233 HydrophobicContact CD1-CD1 4.12Å; F202-L233 HydrophobicContact CD1-CD2 4.29Å; F202-L233 HydrophobicContact CE1-CD1 4.36Å; F202-L233 HydrophobicContact CE1-CD2 4.29Å; F202-S235 WeakPolarHBondContact O-CA 3.46Å; F202-T238 HydrophobicContact CB-CG2 4.14Å; F202-T238 HydrophobicContact CD1-CG2 3.9Å; F202-T238 HydrophobicContact CD2-CG2 3.54Å; F202-T238 HydrophobicContact CE1-CG2 4.15Å; F202-T238 HydrophobicContact CE2-CG2 3.82Å; F202-T238 HydrophobicContact CG-CG2 3.59Å; F202-T238 HydrophobicContact CZ-CG2 4.12Å; F202-V241 HydrophobicContact CE1-CG2 3.87Å; F202-V241 HydrophobicContact CE2-CG2 4.27Å; F202-V241 HydrophobicContact CZ-CB 4.23Å; F202-V241 HydrophobicContact CZ-CG2 3.58Å
203	S	94.8	Very high	94.5	Very high	71 Å²	71	46.5 Å²	46.5	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.3	170.3	79.5	0	0	0	0	112.1	D201 P205 S235	D201-S203 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact OD1-CB 3.24Å; D201-S203 WeakPolarHBondContact OD1-CB 3.5Å; D201-S203 PolarHBondContact OD1-N 2.76Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; D201-S203 PolarHBondContact OD2-OG 3.15Å; D201-S203 VanDerWaalsContact OD2-OG 3.05Å; S203-P205 VanDerWaalsContact C-CD 3.47Å; S203-P205 VanDerWaalsContact O-CD 3.28Å; S203-P205 WeakPolarHBondContact O-CD 3.37Å; S203-S235 WeakPolarHBondContact CA-O 3.44Å
204	N	95.8	Very high	94.8	Very high	78 Å²	78	51.8 Å²	51.8	42%	0.417	28%	0.277	S	S	.	.	S	Bend	trans	-110.9	82.3	164	-170.9	-20.1	0	0	0	111	D201 F202 T206 A207 A208	D201-N204 PolarHBondContact O-N 3.43Å; F202-N204 PolarHBondContact O-N 3.41Å; F202-N204 VanDerWaalsContact O-N 3.16Å; N204-T206 PolarHBondContact O-N 3.17Å; N204-A207 HydrophobicContact CB-CB 4.19Å; N204-A207 PolarHBondContact O-N 3.11Å; N204-A207 PolarHBondContact OD1-N 3.29Å; N204-A207 VanDerWaalsContact OD1-N 3.14Å; N204-A208 PolarHBondContact O-N 2.62Å
205	P	95.3	Very high	95	Very high	27 Å²	27	47.3 Å²	47.3	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-54.1	-37.3	-177.9	-30.4	37.1	0	0	0	114.2	F202 S203 A209 A230 L233	F202-P205 VanDerWaalsContact O-CD 3.3Å; F202-P205 WeakPolarHBondContact O-CD 3.44Å; S203-P205 VanDerWaalsContact C-CD 3.47Å; S203-P205 VanDerWaalsContact O-CD 3.28Å; S203-P205 WeakPolarHBondContact O-CD 3.37Å; P205-A209 WeakPolarHBondContact O-CB 2.96Å; P205-A209 PolarHBondContact O-N 3.02Å; P205-A230 HydrophobicContact CB-CB 4.33Å; P205-L233 HydrophobicContact CB-CB 4.03Å
206	T	96.4	Very high	94.9	Very high	78 Å²	78	47.2 Å²	47.2	48%	0.479	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-52.5	180	-57.4	0	0	0	0	110.9	N204 A208 A209 D210	N204-T206 PolarHBondContact O-N 3.17Å; T206-A208 VanDerWaalsContact C-N 3.31Å; T206-A208 PolarHBondContact O-N 3.31Å; T206-A209 PolarHBondContact O-N 2.95Å; T206-D210 WeakPolarHBondContact O-CB 3.39Å; T206-D210 PolarHBondContact O-N 3.1Å
207	A	96.5	Very high	94.9	Very high	49 Å²	49	49.7 Å²	49.7	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-38.4	179	0	0	0	0	0	112.2	N204 Y211	N204-A207 HydrophobicContact CB-CB 4.19Å; N204-A207 PolarHBondContact O-N 3.11Å; N204-A207 PolarHBondContact OD1-N 3.29Å; N204-A207 VanDerWaalsContact OD1-N 3.14Å; A207-Y211 WeakPolarHBondContact O-CB 3.47Å; A207-Y211 PolarHBondContact O-N 2.79Å
208	A	96	Very high	94.9	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-44.4	176	0	0	0	0	0	112.1	F202 N204 T206 Y211 I212 L233	F202-A208 HydrophobicContact CD1-CB 3.65Å; F202-A208 HydrophobicContact CE1-CB 4.07Å; N204-A208 PolarHBondContact O-N 2.62Å; T206-A208 VanDerWaalsContact C-N 3.31Å; T206-A208 PolarHBondContact O-N 3.31Å; A208-Y211 PolarHBondContact O-N 2.76Å; A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.43Å; A208-L233 HydrophobicContact CB-CD1 3.97Å
209	A	95.6	Very high	94.7	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-44.3	176.6	0	0	0	0	0	111.7	P205 T206 Y211 I212 N213 I228 A230 L233	P205-A209 WeakPolarHBondContact O-CB 2.96Å; P205-A209 PolarHBondContact O-N 3.02Å; T206-A209 PolarHBondContact O-N 2.95Å; A209-Y211 VanDerWaalsContact C-N 3.35Å; A209-Y211 PolarHBondContact O-N 2.87Å; A209-I212 PolarHBondContact O-N 3.13Å; A209-N213 WeakPolarHBondContact O-CB 3.4Å; A209-N213 VanDerWaalsContact O-CG 3.23Å; A209-N213 PolarHBondContact O-N 3.39Å; A209-N213 PolarHBondContact O-ND2 2.96Å; A209-I228 HydrophobicContact CB-CG2 3.94Å; A209-A230 HydrophobicContact CB-CB 4.43Å; A209-L233 HydrophobicContact CB-CD1 4.16Å
210	D	96	Very high	94.4	Very high	100 Å²	100	48.2 Å²	48.2	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-43.7	177	-75.1	-19.1	0	0	0	111.7	T206 N213 Q214	T206-D210 WeakPolarHBondContact O-CB 3.39Å; T206-D210 PolarHBondContact O-N 3.1Å; D210-N213 PolarHBondContact O-N 3.08Å; D210-Q214 VanDerWaalsContact O-CB 3.31Å; D210-Q214 WeakPolarHBondContact O-CB 3.4Å; D210-Q214 PolarHBondContact O-N 3.32Å
211	Y	96.3	Very high	94.2	Very high	60 Å²	60	55.4 Å²	55.4	24%	0.235	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-49.4	175.3	-179	-88.6	0	0	0	111.7	F174 R198 L200 A207 A208 A209 N213 Q214 W215	F174-Y211 AromaticContact CE1-CE1 3.99Å; F174-Y211 HydrophobicContact CE1-CE1 3.99Å; R198-Y211 WeakPolarHBondContact CD-OH 3.45Å; R198-Y211 PolarHBondContact NH1-OH 3.19Å; L200-Y211 HydrophobicContact CD1-CD1 3.77Å; L200-Y211 HydrophobicContact CD1-CE1 4.44Å; L200-Y211 HydrophobicContact CD2-CD1 3.4Å; L200-Y211 VanDerWaalsContact CD2-CD1 3.4Å; L200-Y211 HydrophobicContact CD2-CE1 3.72Å; L200-Y211 HydrophobicContact CD2-CG 3.87Å; L200-Y211 HydrophobicContact CG-CD1 4.24Å; A207-Y211 WeakPolarHBondContact O-CB 3.47Å; A207-Y211 PolarHBondContact O-N 2.79Å; A208-Y211 PolarHBondContact O-N 2.76Å; A209-Y211 VanDerWaalsContact C-N 3.35Å; A209-Y211 PolarHBondContact O-N 2.87Å; Y211-N213 PolarHBondContact O-N 2.75Å; Y211-Q214 PolarHBondContact O-N 3.04Å; Y211-W215 HydrophobicContact CE1-CB 4.39Å; Y211-W215 VanDerWaalsContact O-CB 3.3Å; Y211-W215 WeakPolarHBondContact O-CB 3.4Å; Y211-W215 PolarHBondContact O-N 2.92Å
212	I	94.9	Very high	93.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-45.3	179.8	-69	168.4	0	0	0	110.2	F174 L200 F202 A208 A209 W215 V216 I228 L243	F174-I212 HydrophobicContact CD2-CD1 4.09Å; F174-I212 HydrophobicContact CD2-CG1 3.96Å; F174-I212 HydrophobicContact CE2-CG1 4.03Å; F174-I212 HydrophobicContact CE2-CG2 4.36Å; F174-I212 HydrophobicContact CG-CD1 4.42Å; F174-I212 HydrophobicContact CG-CG1 4.27Å; F174-I212 HydrophobicContact CZ-CG1 4.41Å; L200-I212 HydrophobicContact CD1-CD1 4.01Å; L200-I212 HydrophobicContact CD1-CG1 3.75Å; F202-I212 HydrophobicContact CE1-CD1 4.32Å; A208-I212 VanDerWaalsContact O-CG1 3.31Å; A208-I212 WeakPolarHBondContact O-CG1 3.45Å; A208-I212 PolarHBondContact O-N 3.43Å; A209-I212 PolarHBondContact O-N 3.13Å; I212-W215 PolarHBondContact O-N 2.99Å; I212-V216 HydrophobicContact CG2-CG2 4.44Å; I212-V216 WeakPolarHBondContact O-CG2 3.37Å; I212-V216 PolarHBondContact O-N 3.47Å; I212-I228 HydrophobicContact CB-CG2 3.85Å; I212-I228 HydrophobicContact CD1-CD1 4.41Å; I212-I228 HydrophobicContact CD1-CG2 4.34Å; I212-I228 HydrophobicContact CG2-CG2 3.72Å; I212-L243 HydrophobicContact CG2-CD1 3.69Å
213	N	94.8	Very high	93.5	Very high	17 Å²	17	56.7 Å²	56.7	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-44.4	178.7	-72.7	-30.9	0	0	0	112.1	A209 D210 Y211 W215 V216 R217 L227 I228	A209-N213 WeakPolarHBondContact O-CB 3.4Å; A209-N213 VanDerWaalsContact O-CG 3.23Å; A209-N213 PolarHBondContact O-N 3.39Å; A209-N213 PolarHBondContact O-ND2 2.96Å; D210-N213 PolarHBondContact O-N 3.08Å; Y211-N213 PolarHBondContact O-N 2.75Å; N213-W215 VanDerWaalsContact C-N 3.32Å; N213-W215 PolarHBondContact O-N 3.13Å; N213-V216 PolarHBondContact O-N 3.13Å; N213-R217 VanDerWaalsContact O-CB 3.26Å; N213-R217 WeakPolarHBondContact O-CB 3.49Å; N213-R217 PolarHBondContact O-N 3.02Å; N213-L227 PolarHBondContact OD1-N 3.33Å; N213-I228 PolarHBondContact ND2-O 3.46Å; N213-I228 PolarHBondContact OD1-N 2.96Å; N213-I228 PolarHBondContact OD1-O 3.06Å
214	Q	95.2	Very high	93.1	Very high	120 Å²	120	53.3 Å²	53.3	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-62.4	-41.8	175.6	-170.8	-178.4	30.4	0	0	111.3	D210 Y211 R217 N218	D210-Q214 VanDerWaalsContact O-CB 3.31Å; D210-Q214 WeakPolarHBondContact O-CB 3.4Å; D210-Q214 PolarHBondContact O-N 3.32Å; Y211-Q214 PolarHBondContact O-N 3.04Å; Q214-R217 PolarHBondContact O-N 2.81Å; Q214-N218 WeakPolarHBondContact O-CB 3.48Å; Q214-N218 PolarHBondContact O-N 2.82Å; Q214-N218 PolarHBondContact O-ND2 3.34Å
215	W	94.3	Very high	92.6	Very high	16 Å²	16	51.8 Å²	51.8	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-49.8	175.9	174.7	89.4	0	0	0	111.4	T170 N171 F174 E196 Y211 I212 N213 R217 N218 K219 L243	T170-W215 HydrophobicContact CG2-CH2 3.25Å; T170-W215 HydrophobicContact CG2-CZ2 3.75Å; T170-W215 HydrophobicContact CG2-CZ3 3.76Å; N171-W215 WeakPolarHBondContact O-CH2 3.46Å; N171-W215 WeakPolarHBondContact O-CZ2 3.46Å; F174-W215 HydrophobicContact CE2-CE3 4.31Å; F174-W215 HydrophobicContact CE2-CZ3 4.41Å; F174-W215 AromaticContact CZ-CD2 3.82Å; F174-W215 HydrophobicContact CZ-CD2 3.82Å; F174-W215 AromaticContact CZ-CE3 3.83Å; F174-W215 HydrophobicContact CZ-CE3 3.83Å; F174-W215 HydrophobicContact CZ-CG 4.27Å; F174-W215 HydrophobicContact CZ-CH2 4.48Å; F174-W215 HydrophobicContact CZ-CZ2 4.48Å; F174-W215 HydrophobicContact CZ-CZ3 4.21Å; E196-W215 HydrophobicContact CB-CZ2 4Å; E196-W215 HydrophobicContact CG-CZ2 4.47Å; E196-W215 PolarHBondContact OE2-NE1 2.97Å; Y211-W215 HydrophobicContact CE1-CB 4.39Å; Y211-W215 VanDerWaalsContact O-CB 3.3Å; Y211-W215 WeakPolarHBondContact O-CB 3.4Å; Y211-W215 PolarHBondContact O-N 2.92Å; I212-W215 PolarHBondContact O-N 2.99Å; N213-W215 VanDerWaalsContact C-N 3.32Å; N213-W215 PolarHBondContact O-N 3.13Å; W215-R217 VanDerWaalsContact C-N 3.33Å; W215-R217 PolarHBondContact O-N 3.3Å; W215-N218 PolarHBondContact O-N 3.22Å; W215-K219 HydrophobicContact CD2-CG 4.19Å; W215-K219 HydrophobicContact CZ2-CG 4.13Å; W215-K219 WeakPolarHBondContact O-CB 3.25Å; W215-K219 VanDerWaalsContact O-CG 3.24Å; W215-K219 WeakPolarHBondContact O-CG 3.38Å; W215-K219 PolarHBondContact O-N 2.85Å; W215-L243 HydrophobicContact CH2-CD2 4.37Å; W215-L243 HydrophobicContact CZ3-CD2 3.69Å
216	V	91.7	Very high	92.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-44	177.1	174.1	0	0	0	0	110.7	I212 N213 N218 K219 T220 I224 L227 L243	I212-V216 HydrophobicContact CG2-CG2 4.44Å; I212-V216 WeakPolarHBondContact O-CG2 3.37Å; I212-V216 PolarHBondContact O-N 3.47Å; N213-V216 PolarHBondContact O-N 3.13Å; V216-N218 PolarHBondContact O-N 3.36Å; V216-K219 PolarHBondContact O-N 3.21Å; V216-T220 HydrophobicContact CG1-CG2 4.12Å; V216-T220 WeakPolarHBondContact O-CB 3.46Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.47Å; V216-T220 PolarHBondContact O-N 3.43Å; V216-T220 PolarHBondContact O-OG1 3.02Å; V216-I224 HydrophobicContact CG1-CB 3.82Å; V216-I224 HydrophobicContact CG1-CG2 3.52Å; V216-L227 HydrophobicContact CG1-CD1 4.44Å; V216-L227 HydrophobicContact CG2-CB 4.21Å; V216-L227 HydrophobicContact CG2-CD1 3.9Å; V216-L243 HydrophobicContact CG2-CD2 4.11Å
217	R	93.5	Very high	91.5	Very high	131 Å²	131	51.8 Å²	51.8	49%	0.494	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-47.9	178.4	-172.5	-177	-176.9	134.3	0	111.7	N213 Q214 W215 T220 K221 G222 I224	N213-R217 VanDerWaalsContact O-CB 3.26Å; N213-R217 WeakPolarHBondContact O-CB 3.49Å; N213-R217 PolarHBondContact O-N 3.02Å; Q214-R217 PolarHBondContact O-N 2.81Å; W215-R217 VanDerWaalsContact C-N 3.33Å; W215-R217 PolarHBondContact O-N 3.3Å; R217-T220 CarbonylContact O-C 3.48Å; R217-T220 PolarHBondContact O-N 2.88Å; R217-K221 PolarHBondContact O-N 3.24Å; R217-G222 PolarHBondContact O-N 3.21Å; R217-I224 WeakPolarHBondContact CA-O 3.35Å; R217-I224 PolarHBondContact N-O 3.21Å
218	N	93.2	Very high	91.2	Very high	109 Å²	109	49.6 Å²	49.6	58%	0.583	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-44.9	179.3	-72.8	-14.6	0	0	0	111.2	Q214 W215 V216 K221	Q214-N218 WeakPolarHBondContact O-CB 3.48Å; Q214-N218 PolarHBondContact O-N 2.82Å; Q214-N218 PolarHBondContact O-ND2 3.34Å; W215-N218 PolarHBondContact O-N 3.22Å; V216-N218 PolarHBondContact O-N 3.36Å; N218-K221 PolarHBondContact O-N 3.28Å
219	K	90.3	Very high	91	Very high	72 Å²	72	55.7 Å²	55.7	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-51.9	178.1	-67.3	-67.5	167	-170.9	0	110.2	Q168 T170 E196 W215 V216 K221	Q168-K219 PolarHBondContact NE2-O 2.75Å; T170-K219 HydrophobicContact CG2-CB 3.51Å; T170-K219 HydrophobicContact CG2-CD 4.42Å; T170-K219 HydrophobicContact CG2-CG 3.71Å; E196-K219 VanDerWaalsContact CD-CE 3.42Å; E196-K219 WeakPolarHBondContact OE1-CE 3.16Å; E196-K219 IonicContact OE1-NZ 2.55Å; E196-K219 PolarHBondContact OE1-NZ 3.41Å; E196-K219 WeakPolarHBondContact OE2-CE 3.19Å; E196-K219 IonicContact OE2-NZ 3.06Å; E196-K219 PolarHBondContact OE2-NZ 3.09Å; W215-K219 HydrophobicContact CD2-CG 4.19Å; W215-K219 HydrophobicContact CZ2-CG 4.13Å; W215-K219 WeakPolarHBondContact O-CB 3.25Å; W215-K219 VanDerWaalsContact O-CG 3.24Å; W215-K219 WeakPolarHBondContact O-CG 3.38Å; W215-K219 PolarHBondContact O-N 2.85Å; V216-K219 PolarHBondContact O-N 3.21Å; K219-K221 PolarHBondContact O-N 2.83Å; K219-K221 VanDerWaalsContact O-N 3.14Å
220	T	87	Confident	90.8	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	11.3	-177.1	65.9	0	0	0	0	114.4	V216 R217 G222 H223 I224	V216-T220 HydrophobicContact CG1-CG2 4.12Å; V216-T220 WeakPolarHBondContact O-CB 3.46Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.47Å; V216-T220 PolarHBondContact O-N 3.43Å; V216-T220 PolarHBondContact O-OG1 3.02Å; R217-T220 CarbonylContact O-C 3.48Å; R217-T220 PolarHBondContact O-N 2.88Å; T220-G222 PolarHBondContact O-N 3.15Å; T220-H223 WeakPolarHBondContact O-CB 3.48Å; T220-H223 PolarHBondContact O-CD2 3.2Å; T220-H223 PolarHBondContact O-N 3.16Å; T220-I224 HydrophobicContact CG2-CB 4.04Å; T220-I224 HydrophobicContact CG2-CD1 4.02Å; T220-I224 HydrophobicContact CG2-CG1 4.12Å; T220-I224 PolarHBondContact OG1-N 3.03Å; T220-I224 VanDerWaalsContact OG1-N 3.07Å; T220-I224 PolarHBondContact OG1-O 3.17Å
221	K	89.5	Confident	90.7	Very high	165 Å²	165	58.6 Å²	58.6	72%	0.717	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	35.3	-179.5	-55.3	-178.4	179.2	-177.8	0	113.4	R217 N218 K219 H223	R217-K221 PolarHBondContact O-N 3.24Å; N218-K221 PolarHBondContact O-N 3.28Å; K219-K221 PolarHBondContact O-N 2.83Å; K219-K221 VanDerWaalsContact O-N 3.14Å; K221-H223 VanDerWaalsContact C-N 3.34Å
222	G	89.6	Confident	90.4	Very high	30 Å²	30	57.7 Å²	57.7	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-0.3	179.9	0	0	0	0	0	115.2	R217 T220	R217-G222 PolarHBondContact O-N 3.21Å; T220-G222 PolarHBondContact O-N 3.15Å
223	H	87.1	Confident	90.3	Very high	61 Å²	61	58.1 Å²	58.1	28%	0.282	29%	0.288	S	S	.	.	S	Bend	trans	-69.3	-36.6	179.3	-65.8	-51.5	0	0	0	112.5	T220 K221 Y247 K400	T220-H223 WeakPolarHBondContact O-CB 3.48Å; T220-H223 PolarHBondContact O-CD2 3.2Å; T220-H223 PolarHBondContact O-N 3.16Å; K221-H223 VanDerWaalsContact C-N 3.34Å; H223-Y247 HydrophobicContact CB-CD1 4.17Å; H223-Y247 HydrophobicContact CB-CD2 3.78Å; H223-Y247 HydrophobicContact CB-CE1 4.19Å; H223-Y247 HydrophobicContact CB-CE2 3.82Å; H223-Y247 HydrophobicContact CB-CG 3.93Å; H223-Y247 AromaticContact CD2-CD1 3.54Å; H223-Y247 AromaticContact CD2-CE1 3.16Å; H223-Y247 WeakPolarHBondContact CD2-CE1 3.46Å; H223-Y247 AromaticContact CD2-CZ 3.57Å; H223-Y247 AromaticContact CE1-CE1 3.98Å; H223-Y247 AromaticContact CE1-CZ 3.8Å; H223-Y247 PolarHBondContact CE1-OH 3.39Å; H223-Y247 AromaticContact CG-CD1 3.94Å; H223-Y247 AromaticContact CG-CE1 3.56Å; H223-Y247 AromaticContact CG-CE2 3.81Å; H223-Y247 AromaticContact CG-CZ 3.46Å; H223-Y247 VanDerWaalsContact CG-CZ 3.46Å; H223-Y247 AromaticContact ND1-CZ 3.6Å; H223-Y247 PolarHBondContact ND1-OH 3.39Å; H223-Y247 AromaticContact NE2-CE1 3.46Å; H223-Y247 WeakPolarHBondContact NE2-CE1 3.46Å; H223-Y247 AromaticContact NE2-CZ 3.77Å; H223-K400 WeakPolarHBondContact O-CD 3.46Å; H223-K400 VanDerWaalsContact O-CE 3.31Å; H223-K400 WeakPolarHBondContact O-CE 3.33Å; H223-K400 PolarHBondContact O-NZ 2.71Å
224	I	86.3	Confident	90.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.			trans	-115	114.1	175	-57.5	-178.8	0	0	0	107.4	V216 R217 T220 K398 K400	V216-I224 HydrophobicContact CG1-CB 3.82Å; V216-I224 HydrophobicContact CG1-CG2 3.52Å; R217-I224 WeakPolarHBondContact CA-O 3.35Å; R217-I224 PolarHBondContact N-O 3.21Å; T220-I224 HydrophobicContact CG2-CB 4.04Å; T220-I224 HydrophobicContact CG2-CD1 4.02Å; T220-I224 HydrophobicContact CG2-CG1 4.12Å; T220-I224 PolarHBondContact OG1-N 3.03Å; T220-I224 VanDerWaalsContact OG1-N 3.07Å; T220-I224 PolarHBondContact OG1-O 3.17Å; I224-K398 HydrophobicContact CD1-CG 4.29Å; I224-K398 HydrophobicContact CG2-CB 4.45Å; I224-K398 HydrophobicContact CG2-CG 3.51Å; I224-K400 HydrophobicContact CD1-CB 4.26Å; I224-K400 HydrophobicContact CG1-CB 4.07Å; I224-K400 HydrophobicContact CG1-CD 4.32Å
225	T	85.6	Confident	90	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.282	29%	0.294	S	S	.	.			trans	-98.4	-42.7	-172	49.1	0	0	0	0	113.2
226	N	84.1	Confident	89.7	Confident	106 Å²	106	61 Å²	61	57%	0.567	32%	0.317	S	S	*	.			trans	-130.5	120.6	-177.1	-58.7	-31.7	0	0	0	108.9	K398	N226-K398 WeakPolarHBondContact O-CE 3.42Å
227	L	84.4	Confident	89.5	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.338	C	S	.	.			trans	-112.9	-35.3	177.2	-176	150.9	0	0	0	112.2	N213 V216 L243 L396 K398	N213-L227 PolarHBondContact OD1-N 3.33Å; V216-L227 HydrophobicContact CG1-CD1 4.44Å; V216-L227 HydrophobicContact CG2-CB 4.21Å; V216-L227 HydrophobicContact CG2-CD1 3.9Å; L227-L243 HydrophobicContact CD1-CD1 3.67Å; L227-L243 HydrophobicContact CD1-CD2 3.75Å; L227-L243 HydrophobicContact CD1-CG 3.73Å; L227-L243 HydrophobicContact CD2-CD1 3.21Å; L227-L243 HydrophobicContact CD2-CG 3.96Å; L227-L243 HydrophobicContact CG-CD1 4.05Å; L227-L396 HydrophobicContact CD2-CB 4.04Å; L227-L396 HydrophobicContact CD2-CD1 3.9Å; L227-K398 HydrophobicContact CB-CB 4.47Å; L227-K398 HydrophobicContact CB-CG 4.44Å; L227-K398 HydrophobicContact CD1-CB 3.33Å; L227-K398 HydrophobicContact CD1-CG 4.1Å; L227-K398 HydrophobicContact CG-CB 3.74Å; L227-K398 HydrophobicContact CG-CG 4.21Å
228	I	89.9	Confident	89.5	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.015	32%	0.315	C	S	.	.			trans	-130.9	140.2	-174.8	-164.3	167.1	0	0	0	109.8	A209 I212 N213 M232 L233 L396	A209-I228 HydrophobicContact CB-CG2 3.94Å; I212-I228 HydrophobicContact CB-CG2 3.85Å; I212-I228 HydrophobicContact CD1-CD1 4.41Å; I212-I228 HydrophobicContact CD1-CG2 4.34Å; I212-I228 HydrophobicContact CG2-CG2 3.72Å; N213-I228 PolarHBondContact ND2-O 3.46Å; N213-I228 PolarHBondContact OD1-N 2.96Å; N213-I228 PolarHBondContact OD1-O 3.06Å; I228-M232 HydrophobicContact CG1-CB 3.98Å; I228-M232 HydrophobicContact CG1-SD 3.91Å; I228-L233 HydrophobicContact CD1-CD1 3.96Å; I228-L233 HydrophobicContact CD1-CD2 3.41Å; I228-L233 VanDerWaalsContact CD1-CD2 3.41Å; I228-L233 HydrophobicContact CD1-CG 3.61Å; I228-L233 HydrophobicContact CG1-CG 4.27Å; I228-L396 HydrophobicContact CB-CD1 4.38Å; I228-L396 HydrophobicContact CD1-CD1 3.6Å; I228-L396 HydrophobicContact CG1-CD1 3.97Å
229	K	91.8	Very high	89.4	Confident	131 Å²	131	56.8 Å²	56.8	57%	0.57	30%	0.299	S	S	*	.			trans	-102.2	153.9	170.8	-63.4	-179.2	-171.9	175.4	0	109.3	D231 M232	K229-D231 WeakPolarHBondContact CB-OD1 3.31Å; K229-D231 PolarHBondContact O-N 3.11Å; K229-M232 HydrophobicContact CB-CE 4Å; K229-M232 HydrophobicContact CB-CG 4.16Å; K229-M232 HydrophobicContact CB-SD 4.18Å; K229-M232 HydrophobicContact CD-CE 4.01Å; K229-M232 HydrophobicContact CG-CE 3.89Å; K229-M232 PolarHBondContact N-SD 2.7Å; K229-M232 VanDerWaalsContact N-SD 3.37Å; K229-M232 VanDerWaalsContact O-CB 3.31Å; K229-M232 WeakPolarHBondContact O-CB 3.36Å; K229-M232 PolarHBondContact O-N 3.21Å
230	A	92.4	Very high	89.7	Confident	31 Å²	31	53.4 Å²	53.4	26%	0.256	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.3	-35.5	-178.7	0	0	0	0	0	112.6	P205 A209 M232 L233	P205-A230 HydrophobicContact CB-CB 4.33Å; A209-A230 HydrophobicContact CB-CB 4.43Å; A230-M232 PolarHBondContact O-N 3.37Å; A230-L233 PolarHBondContact O-N 3.22Å; A230-L233 VanDerWaalsContact O-N 3.08Å
231	D	92.2	Very high	90.1	Very high	132 Å²	132	53.4 Å²	53.4	71%	0.706	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67	-13.2	177.1	63.8	-14.2	0	0	0	114.1	K229 L233	K229-D231 WeakPolarHBondContact CB-OD1 3.31Å; K229-D231 PolarHBondContact O-N 3.11Å; D231-L233 VanDerWaalsContact C-N 3.32Å
232	M	90.6	Very high	90.4	Very high	42 Å²	42	45.6 Å²	45.6	21%	0.207	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-82.7	-12.8	173.4	-58.5	173.9	-179.7	0	0	112.8	I228 K229 A230 E359 K394	I228-M232 HydrophobicContact CG1-CB 3.98Å; I228-M232 HydrophobicContact CG1-SD 3.91Å; K229-M232 HydrophobicContact CB-CE 4Å; K229-M232 HydrophobicContact CB-CG 4.16Å; K229-M232 HydrophobicContact CB-SD 4.18Å; K229-M232 HydrophobicContact CD-CE 4.01Å; K229-M232 HydrophobicContact CG-CE 3.89Å; K229-M232 PolarHBondContact N-SD 2.7Å; K229-M232 VanDerWaalsContact N-SD 3.37Å; K229-M232 VanDerWaalsContact O-CB 3.31Å; K229-M232 WeakPolarHBondContact O-CB 3.36Å; K229-M232 PolarHBondContact O-N 3.21Å; A230-M232 PolarHBondContact O-N 3.37Å; M232-E359 WeakPolarHBondContact CE-OE1 3.37Å; M232-E359 VanDerWaalsContact SD-OE1 3.34Å; M232-K394 WeakPolarHBondContact O-CE 3.29Å
233	L	93.3	Very high	90.7	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.042	24%	0.236	C	C	.	.	S	Bend	trans	-109	122.5	-178.3	-64.6	176.7	0	0	0	109.3	F202 P205 A208 A209 I228 A230 D231 T238 V241	F202-L233 HydrophobicContact CD1-CD1 4.12Å; F202-L233 HydrophobicContact CD1-CD2 4.29Å; F202-L233 HydrophobicContact CE1-CD1 4.36Å; F202-L233 HydrophobicContact CE1-CD2 4.29Å; P205-L233 HydrophobicContact CB-CB 4.03Å; A208-L233 HydrophobicContact CB-CD1 3.97Å; A209-L233 HydrophobicContact CB-CD1 4.16Å; I228-L233 HydrophobicContact CD1-CD1 3.96Å; I228-L233 HydrophobicContact CD1-CD2 3.41Å; I228-L233 VanDerWaalsContact CD1-CD2 3.41Å; I228-L233 HydrophobicContact CD1-CG 3.61Å; I228-L233 HydrophobicContact CG1-CG 4.27Å; A230-L233 PolarHBondContact O-N 3.22Å; A230-L233 VanDerWaalsContact O-N 3.08Å; D231-L233 VanDerWaalsContact C-N 3.32Å; L233-T238 HydrophobicContact CD2-CG2 4.04Å; L233-V241 HydrophobicContact CD2-CG2 3.87Å
234	D	93.1	Very high	91.1	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.364	22%	0.222	S	C	.	.			trans	-85.1	126.1	173	-170.6	-69.7	0	0	0	110.1	T236 L237 T238	D234-T236 PolarHBondContact O-N 2.96Å; D234-T236 WeakPolarHBondContact OD1-CA 3.48Å; D234-T236 PolarHBondContact OD1-N 3.27Å; D234-T236 PolarHBondContact OD1-OG1 2.88Å; D234-L237 HydrophobicContact CB-CB 3.95Å; D234-L237 PolarHBondContact OD1-N 3.22Å; D234-T238 PolarHBondContact N-OG1 2.87Å; D234-T238 WeakPolarHBondContact O-CB 3.41Å; D234-T238 PolarHBondContact O-N 2.93Å; D234-T238 PolarHBondContact O-OG1 2.84Å
235	S	90.8	Very high	91.4	Very high	58 Å²	58	41.3 Å²	41.3	41%	0.406	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.9	-177.4	62.9	0	0	0	0	114.4	F202 S203	F202-S235 WeakPolarHBondContact O-CA 3.46Å; S203-S235 WeakPolarHBondContact CA-O 3.44Å
236	T	87.1	Confident	91.7	Very high	88 Å²	88	39.1 Å²	39.1	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-29.8	-174.3	63.7	0	0	0	0	113	D234 R239	D234-T236 PolarHBondContact O-N 2.96Å; D234-T236 WeakPolarHBondContact OD1-CA 3.48Å; D234-T236 PolarHBondContact OD1-N 3.27Å; D234-T236 PolarHBondContact OD1-OG1 2.88Å; T236-R239 PolarHBondContact O-NH1 3Å; T236-R239 PolarHBondContact O-NH2 3.27Å
237	L	88.5	Confident	92.1	Very high	84 Å²	84	34.3 Å²	34.3	44%	0.44	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-18.7	-172.7	-60.1	178.3	0	0	0	113.2	D234 R239 Y391 S393	D234-L237 HydrophobicContact CB-CB 3.95Å; D234-L237 PolarHBondContact OD1-N 3.22Å; L237-R239 PolarHBondContact O-N 2.81Å; L237-Y391 PolarHBondContact O-OH 2.81Å; L237-S393 PolarHBondContact O-OG 3.28Å
238	T	92.4	Very high	92.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	18%	0.183	C	C	.	.			trans	-69.8	124.3	179.7	-52.4	0	0	0	0	110.3	F202 L233 D234 V241 S393	F202-T238 HydrophobicContact CB-CG2 4.14Å; F202-T238 HydrophobicContact CD1-CG2 3.9Å; F202-T238 HydrophobicContact CD2-CG2 3.54Å; F202-T238 HydrophobicContact CE1-CG2 4.15Å; F202-T238 HydrophobicContact CE2-CG2 3.82Å; F202-T238 HydrophobicContact CG-CG2 3.59Å; F202-T238 HydrophobicContact CZ-CG2 4.12Å; L233-T238 HydrophobicContact CD2-CG2 4.04Å; D234-T238 PolarHBondContact N-OG1 2.87Å; D234-T238 WeakPolarHBondContact O-CB 3.41Å; D234-T238 PolarHBondContact O-N 2.93Å; D234-T238 PolarHBondContact O-OG1 2.84Å; T238-V241 HydrophobicContact CG2-CG2 3.67Å; T238-S393 WeakPolarHBondContact CA-OG 3.47Å
239	R	92.4	Very high	92.2	Very high	65 Å²	65	37.7 Å²	37.7	25%	0.245	20%	0.198	C	C	.	.			trans	-124.5	-42.8	-179.6	-66.1	-65.8	176.7	-80.4	-6.2	112.3	S175 Q176 F179 T236 L237 V390 Y391 S393	S175-R239 CarbonylContact C-O 3.52Å; S175-R239 VanDerWaalsContact CA-O 3.3Å; S175-R239 WeakPolarHBondContact CA-O 3.36Å; Q176-R239 PolarHBondContact N-O 3.08Å; F179-R239 VanDerWaalsContact CE2-CD 3.49Å; T236-R239 PolarHBondContact O-NH1 3Å; T236-R239 PolarHBondContact O-NH2 3.27Å; L237-R239 PolarHBondContact O-N 2.81Å; R239-V390 HydrophobicContact CB-CG2 4.14Å; R239-Y391 HydrophobicContact CG-CE1 4.08Å; R239-S393 PolarHBondContact N-OG 3.47Å
240	L	94.9	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125.3	-179.7	-174.1	64.2	0	0	0	110.8	L124 M173 F174 L385 V390 Y391 V392 S393 K394	L124-L240 HydrophobicContact CD2-CD2 4.06Å; M173-L240 HydrophobicContact CG-CD1 3.67Å; M173-L240 HydrophobicContact SD-CD1 4.4Å; F174-L240 WeakPolarHBondContact O-CA 3.47Å; L240-L385 HydrophobicContact CD2-CD1 3.9Å; L240-V390 HydrophobicContact CB-CG2 4.04Å; L240-Y391 WeakPolarHBondContact CB-O 3.4Å; L240-V392 HydrophobicContact CD2-CG2 4.17Å; L240-S393 PolarHBondContact N-OG 2.8Å; L240-S393 PolarHBondContact O-N 3.18Å; L240-K394 PolarHBondContact O-N 2.79Å
241	V	96.2	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.3	173.7	-178.5	0	0	0	0	108.4	M173 F174 F202 L233 T238 K394	M173-V241 WeakPolarHBondContact CA-O 3.48Å; F174-V241 HydrophobicContact CB-CB 4.41Å; F174-V241 PolarHBondContact N-O 3.08Å; F174-V241 PolarHBondContact O-N 3.1Å; F202-V241 HydrophobicContact CE1-CG2 3.87Å; F202-V241 HydrophobicContact CE2-CG2 4.27Å; F202-V241 HydrophobicContact CZ-CB 4.23Å; F202-V241 HydrophobicContact CZ-CG2 3.58Å; L233-V241 HydrophobicContact CD2-CG2 3.87Å; T238-V241 HydrophobicContact CG2-CG2 3.67Å; V241-K394 WeakPolarHBondContact CA-O 3.42Å; V241-K394 HydrophobicContact CG1-CB 4.18Å; V241-K394 HydrophobicContact CG2-CB 4.27Å
242	A	96.4	Very high	91.9	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.4	173.3	0	0	0	0	0	109.8	I120 L124 K394 A395 L396	I120-A242 HydrophobicContact CG2-CB 4.11Å; L124-A242 HydrophobicContact CD1-CB 4.47Å; L124-A242 HydrophobicContact CD2-CB 4.5Å; A242-K394 PolarHBondContact N-O 3.26Å; A242-A395 CarbonylContact O-C 3.5Å; A242-A395 WeakPolarHBondContact O-CA 3.38Å; A242-L396 PolarHBondContact O-N 2.93Å
243	L	94.7	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137	-166.7	-174.6	150.9	0	0	0	111.8	N171 G172 I212 W215 V216 L227 L396	N171-L243 WeakPolarHBondContact CA-O 3.28Å; G172-L243 PolarHBondContact N-O 2.83Å; G172-L243 PolarHBondContact O-N 3.48Å; I212-L243 HydrophobicContact CG2-CD1 3.69Å; W215-L243 HydrophobicContact CH2-CD2 4.37Å; W215-L243 HydrophobicContact CZ3-CD2 3.69Å; V216-L243 HydrophobicContact CG2-CD2 4.11Å; L227-L243 HydrophobicContact CD1-CD1 3.67Å; L227-L243 HydrophobicContact CD1-CD2 3.75Å; L227-L243 HydrophobicContact CD1-CG 3.73Å; L227-L243 HydrophobicContact CD2-CD1 3.21Å; L227-L243 HydrophobicContact CD2-CG 3.96Å; L227-L243 HydrophobicContact CG-CD1 4.05Å; L243-L396 WeakPolarHBondContact CA-O 3.31Å
244	N	95.5	Very high	91.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.6	169.8	172.9	-98.2	0	0	0	109.4	G116 I120 N171 L396 Q397 K398	G116-N244 VanDerWaalsContact CA-CG 3.48Å; G116-N244 WeakPolarHBondContact CA-OD1 3.37Å; I120-N244 HydrophobicContact CD1-CB 3.74Å; I120-N244 HydrophobicContact CG1-CB 3.77Å; N171-N244 PolarHBondContact OD1-ND2 3.47Å; N244-L396 PolarHBondContact N-O 3.34Å; N244-Q397 VanDerWaalsContact O-CA 3.3Å; N244-Q397 WeakPolarHBondContact O-CA 3.42Å; N244-Q397 PolarHBondContact OD1-NE2 2.86Å; N244-K398 PolarHBondContact O-N 3.39Å
245	S	92.5	Very high	91.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.2	169.4	69.1	0	0	0	0	109.6	T170 K398	T170-S245 WeakPolarHBondContact CB-OG 3.39Å; T170-S245 PolarHBondContact N-O 3.41Å; T170-S245 PolarHBondContact O-N 3.38Å; T170-S245 PolarHBondContact O-OG 3.45Å; S245-K398 VanDerWaalsContact CA-O 3.3Å; S245-K398 WeakPolarHBondContact CA-O 3.4Å
246	I	92.5	Very high	91.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.6	177.9	-171.3	175.1	0	0	0	110.4	S113 Q168 I169 K398 K400 L446 F447	S113-I246 VanDerWaalsContact CB-CG2 3.45Å; Q168-I246 WeakPolarHBondContact O-CA 3.47Å; I169-I246 HydrophobicContact CD1-CD1 4.41Å; I169-I246 HydrophobicContact CG1-CD1 3.87Å; I169-I246 HydrophobicContact CG1-CG1 3.88Å; I246-K398 PolarHBondContact N-O 2.95Å; I246-K400 PolarHBondContact O-N 3.37Å; I246-L446 HydrophobicContact CD1-CB 4.41Å; I246-L446 HydrophobicContact CD1-CD2 4.31Å; I246-F447 HydrophobicContact CB-CZ 4.14Å; I246-F447 HydrophobicContact CD1-CD2 4.44Å; I246-F447 HydrophobicContact CD1-CE2 3.67Å; I246-F447 HydrophobicContact CD1-CZ 4.02Å; I246-F447 HydrophobicContact CG1-CE2 3.79Å; I246-F447 HydrophobicContact CG1-CZ 3.69Å; I246-F447 HydrophobicContact CG2-CE1 3.87Å; I246-F447 HydrophobicContact CG2-CE2 4.33Å; I246-F447 HydrophobicContact CG2-CZ 3.63Å
247	Y	92.5	Very high	92.1	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.8	174.8	171.4	-108	0	0	0	108.6	L166 Q168 H223 K249 K400 I402	L166-Y247 HydrophobicContact CD2-CD1 4.33Å; L166-Y247 HydrophobicContact CD2-CE1 3.85Å; Q168-Y247 HydrophobicContact CB-CD1 4.43Å; Q168-Y247 PolarHBondContact N-O 3.27Å; Q168-Y247 PolarHBondContact O-N 3.06Å; H223-Y247 HydrophobicContact CB-CD1 4.17Å; H223-Y247 HydrophobicContact CB-CD2 3.78Å; H223-Y247 HydrophobicContact CB-CE1 4.19Å; H223-Y247 HydrophobicContact CB-CE2 3.82Å; H223-Y247 HydrophobicContact CB-CG 3.93Å; H223-Y247 AromaticContact CD2-CD1 3.54Å; H223-Y247 AromaticContact CD2-CE1 3.16Å; H223-Y247 WeakPolarHBondContact CD2-CE1 3.46Å; H223-Y247 AromaticContact CD2-CZ 3.57Å; H223-Y247 AromaticContact CE1-CE1 3.98Å; H223-Y247 AromaticContact CE1-CZ 3.8Å; H223-Y247 PolarHBondContact CE1-OH 3.39Å; H223-Y247 AromaticContact CG-CD1 3.94Å; H223-Y247 AromaticContact CG-CE1 3.56Å; H223-Y247 AromaticContact CG-CE2 3.81Å; H223-Y247 AromaticContact CG-CZ 3.46Å; H223-Y247 VanDerWaalsContact CG-CZ 3.46Å; H223-Y247 AromaticContact ND1-CZ 3.6Å; H223-Y247 PolarHBondContact ND1-OH 3.39Å; H223-Y247 AromaticContact NE2-CE1 3.46Å; H223-Y247 WeakPolarHBondContact NE2-CE1 3.46Å; H223-Y247 AromaticContact NE2-CZ 3.77Å; Y247-K249 HydrophobicContact CE1-CB 3.9Å; Y247-K400 HydrophobicContact CD2-CB 4.19Å; Y247-K400 HydrophobicContact CD2-CD 4.39Å; Y247-K400 HydrophobicContact CD2-CG 4.26Å; Y247-I402 HydrophobicContact CE2-CD1 4.44Å
248	F	90.1	Very high	92.4	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.9	173.8	173.6	-99.6	0	0	0	110.7	D165 L166 V167 Y305 I310 K400 I437 F447	D165-F248 HydrophobicContact CB-CE2 4.09Å; D165-F248 HydrophobicContact CB-CZ 4.5Å; L166-F248 WeakPolarHBondContact O-CA 3.13Å; L166-F248 WeakPolarHBondContact O-CD2 3.39Å; V167-F248 HydrophobicContact CG2-CD2 3.71Å; V167-F248 HydrophobicContact CG2-CE2 4.04Å; F248-Y305 HydrophobicContact CE1-CD1 4.36Å; F248-Y305 HydrophobicContact CE1-CD2 4.45Å; F248-Y305 AromaticContact CE1-CE1 3.72Å; F248-Y305 HydrophobicContact CE1-CE1 3.72Å; F248-Y305 AromaticContact CE1-CE2 3.82Å; F248-Y305 HydrophobicContact CE1-CE2 3.82Å; F248-Y305 AromaticContact CE1-CZ 3.41Å; F248-Y305 VanDerWaalsContact CE1-CZ 3.41Å; F248-Y305 WeakPolarHBondContact CE1-OH 3.43Å; F248-Y305 HydrophobicContact CZ-CD1 4.06Å; F248-Y305 AromaticContact CZ-CD2 3.94Å; F248-Y305 HydrophobicContact CZ-CD2 3.94Å; F248-Y305 AromaticContact CZ-CE1 3.88Å; F248-Y305 HydrophobicContact CZ-CE1 3.88Å; F248-Y305 AromaticContact CZ-CE2 3.76Å; F248-Y305 HydrophobicContact CZ-CE2 3.76Å; F248-Y305 HydrophobicContact CZ-CG 4.09Å; F248-Y305 AromaticContact CZ-CZ 3.73Å; F248-I310 HydrophobicContact CE2-CD1 3.83Å; F248-I310 HydrophobicContact CE2-CG2 4.1Å; F248-I310 HydrophobicContact CZ-CG2 4Å; F248-K400 PolarHBondContact N-O 2.97Å; F248-I437 HydrophobicContact CD1-CD1 3.4Å; F248-I437 VanDerWaalsContact CD1-CD1 3.4Å; F248-I437 HydrophobicContact CD1-CG2 4.47Å; F248-I437 HydrophobicContact CE1-CD1 3.58Å; F248-I437 HydrophobicContact CE1-CG2 4.29Å; F248-I437 HydrophobicContact CG-CD1 4.27Å; F248-I437 HydrophobicContact CZ-CG2 4.31Å; F248-F447 HydrophobicContact CB-CD2 4.09Å; F248-F447 HydrophobicContact CB-CE2 3.33Å; F248-F447 HydrophobicContact CB-CZ 3.79Å; F248-F447 HydrophobicContact CG-CE2 4.3Å
249	K	86.7	Confident	92.4	Very high	73 Å²	73	30.3 Å²	30.3	32%	0.317	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	102.8	168.2	-171.9	-175.6	-179.8	-165.4	0	108.2	L166 Y247 E406	L166-K249 WeakPolarHBondContact CB-O 3.39Å; L166-K249 PolarHBondContact N-O 3.46Å; L166-K249 PolarHBondContact O-N 3.34Å; Y247-K249 HydrophobicContact CE1-CB 3.9Å; K249-E406 WeakPolarHBondContact CE-OE2 3.36Å; K249-E406 IonicContact NZ-OE1 2.75Å; K249-E406 PolarHBondContact NZ-OE1 3.29Å; K249-E406 IonicContact NZ-OE2 3.03Å; K249-E406 PolarHBondContact NZ-OE2 3.39Å
250	G	84.8	Confident	92.5	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	17%	0.166	C	C	.	.			trans	-105.6	154.3	172.1	0	0	0	0	0	110.9	D165	D165-G250 WeakPolarHBondContact OD1-CA 3.4Å
251	S	90.3	Very high	92.6	Very high	34 Å²	34	32.1 Å²	32.1	24%	0.238	17%	0.174	C	C	.	.			trans	-101.9	129.3	170.9	-70.3	0	0	0	0	108.2	D165 K253 Y305 H306	D165-S251 PolarHBondContact OD1-N 3.12Å; D165-S251 VanDerWaalsContact OD1-N 3.13Å; S251-K253 PolarHBondContact O-N 3.5Å; S251-Y305 CarbonylContact O-C 3.56Å; S251-Y305 WeakPolarHBondContact O-CA 3.23Å; S251-H306 WeakPolarHBondContact O-CB 3.44Å; S251-H306 PolarHBondContact O-N 3.49Å
252	W	94.3	Very high	92.6	Very high	6 Å²	6	38 Å²	38	2%	0.023	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-56.7	142.1	177.4	-59.2	114.9	0	0	0	111.5	S254 F256 L303 Y305 M312 V403 N404 E406 G407 T408	W252-S254 WeakPolarHBondContact CB-O 3.47Å; W252-S254 PolarHBondContact O-N 2.82Å; W252-F256 AromaticContact CD1-CD2 3.71Å; W252-F256 AromaticContact CD1-CE2 3.88Å; W252-F256 HydrophobicContact CD2-CE2 4.37Å; W252-F256 HydrophobicContact CG-CD2 4.38Å; W252-F256 HydrophobicContact CG-CE2 4.24Å; W252-F256 AromaticContact NE1-CD2 3.84Å; W252-F256 AromaticContact NE1-CE2 3.77Å; W252-L303 HydrophobicContact CE3-CB 4.01Å; W252-L303 HydrophobicContact CE3-CD2 4.38Å; W252-L303 HydrophobicContact CH2-CB 4.41Å; W252-L303 HydrophobicContact CH2-CD2 4.18Å; W252-L303 HydrophobicContact CZ3-CB 3.61Å; W252-L303 HydrophobicContact CZ3-CD2 4.05Å; W252-Y305 HydrophobicContact CD2-CD1 4.47Å; W252-Y305 HydrophobicContact CD2-CE1 4.14Å; W252-Y305 AromaticContact CE3-CD1 3.93Å; W252-Y305 HydrophobicContact CE3-CD1 3.93Å; W252-Y305 AromaticContact CE3-CE1 3.67Å; W252-Y305 HydrophobicContact CE3-CE1 3.67Å; W252-Y305 HydrophobicContact CE3-CG 4.47Å; W252-Y305 AromaticContact CH2-CE1 3.87Å; W252-Y305 HydrophobicContact CH2-CE1 3.87Å; W252-Y305 HydrophobicContact CH2-CE2 4.42Å; W252-Y305 AromaticContact CH2-CZ 3.6Å; W252-Y305 VanDerWaalsContact CH2-OH 3.28Å; W252-Y305 WeakPolarHBondContact CH2-OH 3.46Å; W252-Y305 HydrophobicContact CZ2-CE1 4.3Å; W252-Y305 HydrophobicContact CZ3-CD1 4.14Å; W252-Y305 HydrophobicContact CZ3-CD2 4.43Å; W252-Y305 AromaticContact CZ3-CE1 3.53Å; W252-Y305 HydrophobicContact CZ3-CE1 3.53Å; W252-Y305 AromaticContact CZ3-CE2 3.87Å; W252-Y305 HydrophobicContact CZ3-CE2 3.87Å; W252-Y305 AromaticContact CZ3-CZ 3.36Å; W252-M312 HydrophobicContact CH2-CB 3.95Å; W252-M312 HydrophobicContact CH2-CE 3.9Å; W252-M312 HydrophobicContact CH2-CG 4.48Å; W252-M312 HydrophobicContact CH2-SD 3.78Å; W252-M312 HydrophobicContact CZ3-CB 3.9Å; W252-V403 HydrophobicContact CZ2-CG1 4.1Å; W252-N404 PolarHBondContact NE1-O 2.81Å; W252-E406 PolarHBondContact N-O 2.85Å; W252-G407 CarbonylContact O-C 3.58Å; W252-G407 WeakPolarHBondContact O-CA 3.44Å; W252-T408 PolarHBondContact O-N 3.11Å; W252-T408 PolarHBondContact O-OG1 2.84Å
253	K	92.6	Very high	92.7	Very high	94 Å²	94	43.3 Å²	43.3	41%	0.409	23%	0.225	S	C	.	.	S	Bend	trans	-60.3	-40.4	169.4	-174.9	-178.7	-173	166.6	0	111	S251 P304 N308 T408	S251-K253 PolarHBondContact O-N 3.5Å; K253-P304 HydrophobicContact CB-CB 4.3Å; K253-P304 HydrophobicContact CB-CG 4.09Å; K253-P304 VanDerWaalsContact CB-O 3.27Å; K253-P304 WeakPolarHBondContact CB-O 3.42Å; K253-P304 HydrophobicContact CD-CB 4.22Å; K253-P304 HydrophobicContact CD-CG 3.91Å; K253-P304 PolarHBondContact N-O 2.79Å; K253-N308 VanDerWaalsContact CD-OD1 3.27Å; K253-N308 WeakPolarHBondContact CD-OD1 3.32Å; K253-N308 VanDerWaalsContact CE-OD1 3.27Å; K253-N308 WeakPolarHBondContact CE-OD1 3.46Å; K253-N308 PolarHBondContact NZ-OD1 3.48Å; K253-T408 PolarHBondContact O-OG1 3.46Å
254	S	91.8	Very high	92.9	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.112	24%	0.244	C	C	.	.	S	Bend	trans	-115.9	95.9	172.6	-173.5	0	0	0	0	108.2	W252 Q281 S283	W252-S254 WeakPolarHBondContact CB-O 3.47Å; W252-S254 PolarHBondContact O-N 2.82Å; S254-Q281 PolarHBondContact O-NE2 2.93Å; S254-Q281 PolarHBondContact O-OE1 3.29Å; S254-Q281 PolarHBondContact OG-OE1 2.8Å; S254-S283 PolarHBondContact OG-OG 3.04Å; S254-S283 VanDerWaalsContact OG-OG 3.14Å
255	G	90.8	Very high	92.9	Very high	11 Å²	11	50.7 Å²	50.7	11%	0.113	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.4	158.1	180	0	0	0	0	0	113.8	T408	G255-T408 PolarHBondContact N-O 3.43Å
256	F	93.2	Very high	93.2	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.031	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-90.2	147.1	171.7	-62.6	-99.7	0	0	0	109.3	W252 P258 M279 Q281 L303 L349 I351 E405	W252-F256 AromaticContact CD1-CD2 3.71Å; W252-F256 AromaticContact CD1-CE2 3.88Å; W252-F256 HydrophobicContact CD2-CE2 4.37Å; W252-F256 HydrophobicContact CG-CD2 4.38Å; W252-F256 HydrophobicContact CG-CE2 4.24Å; W252-F256 AromaticContact NE1-CD2 3.84Å; W252-F256 AromaticContact NE1-CE2 3.77Å; F256-P258 WeakPolarHBondContact O-CD 3.48Å; F256-M279 HydrophobicContact CB-CB 4.2Å; F256-M279 HydrophobicContact CD1-CB 3.59Å; F256-M279 HydrophobicContact CD2-CE 4.27Å; F256-M279 HydrophobicContact CD2-SD 4.4Å; F256-M279 HydrophobicContact CE1-CB 4.03Å; F256-M279 HydrophobicContact CE2-CE 4.24Å; F256-M279 HydrophobicContact CG-CB 3.88Å; F256-M279 HydrophobicContact CG-SD 4.45Å; F256-Q281 HydrophobicContact CD1-CB 3.92Å; F256-Q281 HydrophobicContact CD1-CG 3.75Å; F256-Q281 HydrophobicContact CE1-CB 4.23Å; F256-Q281 HydrophobicContact CE1-CG 3.58Å; F256-Q281 VanDerWaalsContact CE1-NE2 3.27Å; F256-Q281 HydrophobicContact CZ-CG 4.21Å; F256-L303 HydrophobicContact CE2-CD2 4.46Å; F256-L303 HydrophobicContact CZ-CD2 4.2Å; F256-L349 HydrophobicContact CZ-CD2 4.2Å; F256-I351 HydrophobicContact CE1-CD1 4.26Å; F256-I351 HydrophobicContact CE1-CG1 3.99Å; F256-I351 HydrophobicContact CE2-CD1 3.81Å; F256-I351 HydrophobicContact CE2-CG1 4.38Å; F256-I351 HydrophobicContact CZ-CD1 3.41Å; F256-I351 VanDerWaalsContact CZ-CD1 3.41Å; F256-I351 HydrophobicContact CZ-CG1 3.66Å; F256-E405 HydrophobicContact CB-CB 3.96Å; F256-E405 HydrophobicContact CB-CG 4.01Å; F256-E405 PolarHBondContact N-O 2.85Å; F256-E405 VanDerWaalsContact N-O 3.08Å
257	Q	91.8	Very high	93.3	Very high	91 Å²	91	53.6 Å²	53.6	43%	0.425	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-85.6	123	173.3	-63.4	-60.2	-33.8	0	0	108.6	N259 N260	Q257-N259 PolarHBondContact O-N 2.81Å; Q257-N259 VanDerWaalsContact O-N 3.13Å; Q257-N260 HydrophobicContact CB-CB 4.43Å; Q257-N260 WeakPolarHBondContact O-CA 3.37Å; Q257-N260 WeakPolarHBondContact O-CB 3.34Å; Q257-N260 PolarHBondContact O-N 2.66Å
258	P	93.1	Very high	93.4	Very high	78 Å²	78	53.6 Å²	53.6	51%	0.506	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-54.3	-34.4	179.9	-28.7	36.1	0	0	0	113.7	F256 N260 T261 E405	F256-P258 WeakPolarHBondContact O-CD 3.48Å; P258-N260 PolarHBondContact O-N 3.4Å; P258-N260 VanDerWaalsContact O-N 3.15Å; P258-T261 WeakPolarHBondContact O-CB 3.22Å; P258-T261 PolarHBondContact O-N 2.91Å; P258-E405 HydrophobicContact CG-CB 4.26Å; P258-E405 HydrophobicContact CG-CG 4.41Å
259	N	93.4	Very high	93.5	Very high	146 Å²	146	55 Å²	55	78%	0.781	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.8	177.2	-62.7	-4	0	0	0	113.6	Q257	Q257-N259 PolarHBondContact O-N 2.81Å; Q257-N259 VanDerWaalsContact O-N 3.13Å
260	N	94.8	Very high	93.7	Very high	75 Å²	75	54.4 Å²	54.4	40%	0.401	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-93.5	-6.6	175.7	-67.1	-18	0	0	0	112.6	Q257 P258 K262 S280	Q257-N260 HydrophobicContact CB-CB 4.43Å; Q257-N260 WeakPolarHBondContact O-CA 3.37Å; Q257-N260 WeakPolarHBondContact O-CB 3.34Å; Q257-N260 PolarHBondContact O-N 2.66Å; P258-N260 PolarHBondContact O-N 3.4Å; P258-N260 VanDerWaalsContact O-N 3.15Å; N260-K262 PolarHBondContact O-N 2.93Å; N260-S280 WeakPolarHBondContact CB-O 3.48Å
261	T	96.6	Very high	94	Very high	28 Å²	28	56.5 Å²	56.5	17%	0.172	32%	0.316	C	S	.	.			trans	-74.5	120	172.5	-58.7	0	0	0	0	109.2	P258 M278 M279 E405	P258-T261 WeakPolarHBondContact O-CB 3.22Å; P258-T261 PolarHBondContact O-N 2.91Å; T261-M278 VanDerWaalsContact CA-O 3.31Å; T261-M278 WeakPolarHBondContact CA-O 3.39Å; T261-M279 HydrophobicContact CG2-CG 4.3Å; T261-E405 WeakPolarHBondContact CB-OE1 3.42Å; T261-E405 WeakPolarHBondContact OG1-CG 3.35Å; T261-E405 PolarHBondContact OG1-OE1 2.96Å
262	K	97.4	Very high	94.2	Very high	122 Å²	122	59.2 Å²	59.2	53%	0.53	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.5	-176.9	-62.7	-172.1	-179.8	-172.7	0	111	N260 R264 M278	N260-K262 PolarHBondContact O-N 2.93Å; K262-R264 PolarHBondContact O-N 3.37Å; K262-M278 PolarHBondContact N-O 3.12Å; K262-M278 PolarHBondContact O-N 3.31Å
263	M	97.9	Very high	94.3	Very high	114 Å²	114	63.4 Å²	63.4	56%	0.562	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.8	170.2	-64	-57.1	-71.6	0	0	109.9	K275 V276 S277	M263-K275 VanDerWaalsContact CE-C 3.43Å; M263-K275 HydrophobicContact CE-CB 3.85Å; M263-K275 WeakPolarHBondContact CE-O 3.48Å; M263-V276 WeakPolarHBondContact CA-O 3.33Å; M263-S277 PolarHBondContact SD-OG 3.19Å
264	R	97.5	Very high	94.5	Very high	101 Å²	101	62.6 Å²	62.6	38%	0.381	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.5	178.8	-67.1	-176.7	-179	-98.8	2.8	110.3	K262 K275 V276 M278 L350	K262-R264 PolarHBondContact O-N 3.37Å; R264-K275 WeakPolarHBondContact O-CA 3.47Å; R264-V276 PolarHBondContact N-O 3.44Å; R264-V276 PolarHBondContact O-N 3.32Å; R264-M278 HydrophobicContact CB-CB 4.1Å; R264-M278 HydrophobicContact CB-CG 3.67Å; R264-M278 HydrophobicContact CG-CB 4.14Å; R264-M278 HydrophobicContact CG-CG 4.25Å; R264-L350 VanDerWaalsContact NE-CD2 3.32Å
265	S	97.3	Very high	94.7	Very high	54 Å²	54	68.3 Å²	68.3	38%	0.378	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.1	177.7	-59.4	0	0	0	0	110.9	Y274 K275	S265-Y274 CarbonylContact C-O 3.6Å; S265-Y274 VanDerWaalsContact CA-O 3.3Å; S265-Y274 WeakPolarHBondContact CA-O 3.44Å; S265-K275 PolarHBondContact OG-NZ 3.13Å
266	F	97.2	Very high	95	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125	169.5	-177.5	-78.5	0	0	0	107.8	V273 Y274 V276 M278 P352 D430 R431 F433 N452 P454	F266-V273 WeakPolarHBondContact O-CA 3.4Å; F266-Y274 PolarHBondContact N-O 2.91Å; F266-Y274 PolarHBondContact O-N 3.4Å; F266-V276 HydrophobicContact CB-CG1 4.15Å; F266-V276 HydrophobicContact CB-CG2 3.64Å; F266-V276 HydrophobicContact CD2-CG2 4.46Å; F266-V276 HydrophobicContact CG-CG2 4.35Å; F266-M278 HydrophobicContact CB-CE 4.23Å; F266-M278 HydrophobicContact CD2-CE 3.79Å; F266-P352 HydrophobicContact CD2-CG 4.08Å; F266-P352 HydrophobicContact CE2-CG 4.02Å; F266-D430 CarbonylContact C-O 3.58Å; F266-D430 WeakPolarHBondContact CA-O 3.42Å; F266-R431 VanDerWaalsContact CE2-N 3.32Å; F266-R431 WeakPolarHBondContact CE2-O 3.28Å; F266-R431 WeakPolarHBondContact CZ-O 3.3Å; F266-F433 HydrophobicContact CE2-CD1 4.22Å; F266-F433 HydrophobicContact CE2-CE1 4.19Å; F266-F433 HydrophobicContact CZ-CD1 4.34Å; F266-F433 HydrophobicContact CZ-CE1 4.45Å; F266-N452 WeakPolarHBondContact CE1-O 3.49Å; F266-P454 HydrophobicContact CD1-CG 4.12Å; F266-P454 HydrophobicContact CD2-CG 3.64Å; F266-P454 VanDerWaalsContact CE1-CD 3.4Å; F266-P454 HydrophobicContact CE1-CG 4.14Å; F266-P454 HydrophobicContact CE2-CG 3.66Å; F266-P454 HydrophobicContact CG-CG 3.89Å; F266-P454 HydrophobicContact CZ-CG 3.91Å
267	T	96.3	Very high	95.2	Very high	63 Å²	63	70.5 Å²	70.5	39%	0.387	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.6	175.8	-55.6	0	0	0	0	108.5	N272 D430 R431 P432	T267-N272 CarbonylContact C-O 3.58Å; T267-N272 WeakPolarHBondContact CA-O 3.33Å; T267-D430 PolarHBondContact N-O 3.04Å; T267-R431 WeakPolarHBondContact O-CA 3.49Å; T267-P432 WeakPolarHBondContact O-CD 3.27Å
268	G	94.3	Very high	95.5	Very high	4 Å²	4	66.2 Å²	66.2	4%	0.041	37%	0.366	C	S	.	.			trans	-69.9	167.5	-179.8	0	0	0	0	0	113.3	D270 G271 N272 N452	G268-D270 PolarHBondContact O-N 2.75Å; G268-G271 PolarHBondContact O-N 3.21Å; G268-N272 PolarHBondContact N-O 2.85Å; G268-N452 VanDerWaalsContact CA-O 3.26Å; G268-N452 WeakPolarHBondContact CA-O 3.42Å
269	G	90.7	Very high	95.7	Very high	29 Å²	29	62.5 Å²	62.5	30%	0.299	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21	174.5	0	0	0	0	0	113.9	L107 G271 N452	L107-G269 WeakPolarHBondContact CD2-O 3.28Å; G269-G271 VanDerWaalsContact C-N 3.3Å; G269-N452 PolarHBondContact N-O 3.46Å
270	D	91.7	Very high	95.8	Very high	62 Å²	62	56.5 Å²	56.5	33%	0.332	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.3	173.3	62.9	-14.1	0	0	0	113.6	G268 N272 Y274 Q453	G268-D270 PolarHBondContact O-N 2.75Å; D270-N272 VanDerWaalsContact C-N 3.29Å; D270-N272 PolarHBondContact O-N 3.25Å; D270-N272 PolarHBondContact OD1-N 2.89Å; D270-N272 VanDerWaalsContact OD1-N 3.13Å; D270-N272 PolarHBondContact OD2-ND2 3.06Å; D270-Y274 PolarHBondContact OD2-OH 2.84Å; D270-Q453 PolarHBondContact OD2-NE2 2.94Å
271	G	91.6	Very high	95.8	Very high	51 Å²	51	53.7 Å²	53.7	53%	0.526	30%	0.296	S	S	.	.	S	Bend	trans	83.9	-6	-177.6	0	0	0	0	0	114.6	G268 G269	G268-G271 PolarHBondContact O-N 3.21Å; G269-G271 VanDerWaalsContact C-N 3.3Å
272	N	94.6	Very high	95.6	Very high	92 Å²	92	56.2 Å²	56.2	49%	0.492	31%	0.308	S	S	.	.			trans	-75.9	150	178.9	-71.1	-43.6	0	0	0	111.4	T267 G268 D270 Y274	T267-N272 CarbonylContact C-O 3.58Å; T267-N272 WeakPolarHBondContact CA-O 3.33Å; G268-N272 PolarHBondContact N-O 2.85Å; D270-N272 VanDerWaalsContact C-N 3.29Å; D270-N272 PolarHBondContact O-N 3.25Å; D270-N272 PolarHBondContact OD1-N 2.89Å; D270-N272 VanDerWaalsContact OD1-N 3.13Å; D270-N272 PolarHBondContact OD2-ND2 3.06Å; N272-Y274 HydrophobicContact CB-CE2 3.7Å; N272-Y274 WeakPolarHBondContact O-CD2 3.4Å
273	V	96.3	Very high	95.3	Very high	94 Å²	94	51.4 Å²	51.4	57%	0.57	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.3	178.7	-178.6	0	0	0	0	110.6	F266	F266-V273 WeakPolarHBondContact O-CA 3.4Å
274	Y	95.3	Very high	95.1	Very high	77 Å²	77	48.1 Å²	48.1	30%	0.302	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149.7	178.5	-59.7	-84.6	0	0	0	111.1	S265 F266 D270 N272 Q453	S265-Y274 CarbonylContact C-O 3.6Å; S265-Y274 VanDerWaalsContact CA-O 3.3Å; S265-Y274 WeakPolarHBondContact CA-O 3.44Å; F266-Y274 PolarHBondContact N-O 2.91Å; F266-Y274 PolarHBondContact O-N 3.4Å; D270-Y274 PolarHBondContact OD2-OH 2.84Å; N272-Y274 HydrophobicContact CB-CE2 3.7Å; N272-Y274 WeakPolarHBondContact O-CD2 3.4Å; Y274-Q453 HydrophobicContact CE2-CG 4.15Å; Y274-Q453 PolarHBondContact OH-NE2 2.83Å
275	K	97.3	Very high	95	Very high	136 Å²	136	43.7 Å²	43.7	59%	0.591	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.2	167.5	-68.4	-63.3	-174.2	-173.9	0	108.6	M263 R264 S265	M263-K275 VanDerWaalsContact CE-C 3.43Å; M263-K275 HydrophobicContact CE-CB 3.85Å; M263-K275 WeakPolarHBondContact CE-O 3.48Å; R264-K275 WeakPolarHBondContact O-CA 3.47Å; S265-K275 PolarHBondContact OG-NZ 3.13Å
276	V	96.8	Very high	94.9	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.5	-177.6	-53.4	0	0	0	0	111	M263 R264 F266 M278 P454	M263-V276 WeakPolarHBondContact CA-O 3.33Å; R264-V276 PolarHBondContact N-O 3.44Å; R264-V276 PolarHBondContact O-N 3.32Å; F266-V276 HydrophobicContact CB-CG1 4.15Å; F266-V276 HydrophobicContact CB-CG2 3.64Å; F266-V276 HydrophobicContact CD2-CG2 4.46Å; F266-V276 HydrophobicContact CG-CG2 4.35Å; V276-M278 HydrophobicContact CG2-CE 3.8Å; V276-M278 HydrophobicContact CG2-CG 4.22Å; V276-M278 HydrophobicContact CG2-SD 4.39Å; V276-M278 PolarHBondContact O-N 3.13Å; V276-P454 HydrophobicContact CB-CG 4.45Å; V276-P454 HydrophobicContact CG1-CG 4.17Å; V276-P454 HydrophobicContact CG2-CG 4.24Å
277	S	97.4	Very high	94.9	Very high	48 Å²	48	44.3 Å²	44.3	34%	0.336	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	109.2	174.8	-74.3	0	0	0	0	110.2	M263 K353	M263-S277 PolarHBondContact SD-OG 3.19Å; S277-K353 PolarHBondContact O-N 3.48Å
278	M	97.8	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.6	176.8	-75.1	-71.2	-171	0	0	110.5	T261 K262 R264 F266 V276 L350 I351 P352 V429 D430	T261-M278 VanDerWaalsContact CA-O 3.31Å; T261-M278 WeakPolarHBondContact CA-O 3.39Å; K262-M278 PolarHBondContact N-O 3.12Å; K262-M278 PolarHBondContact O-N 3.31Å; R264-M278 HydrophobicContact CB-CB 4.1Å; R264-M278 HydrophobicContact CB-CG 3.67Å; R264-M278 HydrophobicContact CG-CB 4.14Å; R264-M278 HydrophobicContact CG-CG 4.25Å; F266-M278 HydrophobicContact CB-CE 4.23Å; F266-M278 HydrophobicContact CD2-CE 3.79Å; V276-M278 HydrophobicContact CG2-CE 3.8Å; V276-M278 HydrophobicContact CG2-CG 4.22Å; V276-M278 HydrophobicContact CG2-SD 4.39Å; V276-M278 PolarHBondContact O-N 3.13Å; M278-L350 HydrophobicContact CB-CD2 4.49Å; M278-I351 CarbonylContact C-O 3.57Å; M278-I351 VanDerWaalsContact SD-C 3.56Å; M278-P352 HydrophobicContact CE-CG 3.96Å; M278-P352 HydrophobicContact SD-CB 4.24Å; M278-P352 HydrophobicContact SD-CG 3.79Å; M278-P352 VanDerWaalsContact SD-N 3.44Å; M278-V429 WeakPolarHBondContact CE-O 3.41Å; M278-D430 HydrophobicContact CE-CB 4.13Å
279	M	97	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145	171.8	-52.7	-174.6	-64.6	0	0	109.5	F256 T261 L350 I351 K353 V403 E405	F256-M279 HydrophobicContact CB-CB 4.2Å; F256-M279 HydrophobicContact CD1-CB 3.59Å; F256-M279 HydrophobicContact CD2-CE 4.27Å; F256-M279 HydrophobicContact CD2-SD 4.4Å; F256-M279 HydrophobicContact CE1-CB 4.03Å; F256-M279 HydrophobicContact CE2-CE 4.24Å; F256-M279 HydrophobicContact CG-CB 3.88Å; F256-M279 HydrophobicContact CG-SD 4.45Å; T261-M279 HydrophobicContact CG2-CG 4.3Å; M279-L350 VanDerWaalsContact O-CA 3.29Å; M279-L350 WeakPolarHBondContact O-CA 3.38Å; M279-I351 HydrophobicContact CB-CG1 4.38Å; M279-I351 HydrophobicContact CE-CD1 3.59Å; M279-I351 HydrophobicContact CE-CG1 3.61Å; M279-I351 PolarHBondContact N-O 2.83Å; M279-I351 PolarHBondContact O-N 3.3Å; M279-I351 VanDerWaalsContact O-N 3.11Å; M279-K353 HydrophobicContact CG-CB 3.84Å; M279-K353 HydrophobicContact SD-CB 3.98Å; M279-K353 HydrophobicContact SD-CG 4.35Å; M279-V403 HydrophobicContact CE-CG1 3.82Å; M279-E405 HydrophobicContact CG-CG 4.08Å; M279-E405 HydrophobicContact SD-CB 4.34Å; M279-E405 HydrophobicContact SD-CG 3.69Å; M279-E405 PolarHBondContact SD-N 3.12Å; M279-E405 VanDerWaalsContact SD-N 3.43Å
280	S	95.8	Very high	95.1	Very high	19 Å²	19	44.9 Å²	44.9	13%	0.133	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.3	179.8	-170.1	0	0	0	0	113.6	N260 L349	N260-S280 WeakPolarHBondContact CB-O 3.48Å; S280-L349 VanDerWaalsContact CA-O 3.28Å; S280-L349 WeakPolarHBondContact CA-O 3.43Å; S280-L349 PolarHBondContact OG-O 3.46Å
281	Q	94.4	Very high	95.3	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.8	171.5	68.7	175.5	-70.1	0	0	112.1	S254 F256 F285 L349	S254-Q281 PolarHBondContact O-NE2 2.93Å; S254-Q281 PolarHBondContact O-OE1 3.29Å; S254-Q281 PolarHBondContact OG-OE1 2.8Å; F256-Q281 HydrophobicContact CD1-CB 3.92Å; F256-Q281 HydrophobicContact CD1-CG 3.75Å; F256-Q281 HydrophobicContact CE1-CB 4.23Å; F256-Q281 HydrophobicContact CE1-CG 3.58Å; F256-Q281 VanDerWaalsContact CE1-NE2 3.27Å; F256-Q281 HydrophobicContact CZ-CG 4.21Å; Q281-F285 HydrophobicContact CG-CE2 4.19Å; Q281-F285 HydrophobicContact CG-CZ 4.18Å; Q281-L349 PolarHBondContact N-O 3.41Å; Q281-L349 VanDerWaalsContact N-O 3.15Å; Q281-L349 PolarHBondContact O-N 2.89Å
282	L	92.8	Very high	95.5	Very high	81 Å²	81	43.7 Å²	43.7	42%	0.424	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.9	168	174.1	69.6	0	0	0	107.8	K346 R348 P424	L282-K346 HydrophobicContact CD1-CG 4.09Å; L282-R348 HydrophobicContact CB-CG 4.39Å; L282-R348 HydrophobicContact CD1-CG 3.58Å; L282-P424 HydrophobicContact CD1-CB 3.85Å; L282-P424 HydrophobicContact CD1-CG 3.81Å
283	S	92.6	Very high	95.5	Very high	21 Å²	21	44.6 Å²	44.6	15%	0.147	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	-176.7	-179.7	-163.5	0	0	0	0	111.1	S254 K346 V347	S254-S283 PolarHBondContact OG-OG 3.04Å; S254-S283 VanDerWaalsContact OG-OG 3.14Å; S283-K346 CarbonylContact O-C 3.54Å; S283-K346 WeakPolarHBondContact O-CA 3.18Å; S283-V347 PolarHBondContact N-O 3.43Å; S283-V347 PolarHBondContact O-N 3.09Å
284	I	92.9	Very high	95.3	Very high	45 Å²	45	45.8 Å²	45.8	23%	0.231	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.1	176.1	-56.1	-178.9	0	0	0	108.7	M344 R345 K346 T414	I284-M344 HydrophobicContact CG2-CB 3.83Å; I284-M344 HydrophobicContact CG2-CE 3.7Å; I284-M344 HydrophobicContact CG2-CG 4.48Å; I284-R345 WeakPolarHBondContact CA-O 3.5Å; I284-K346 HydrophobicContact CG1-CB 4.33Å; I284-T414 HydrophobicContact CD1-CG2 3.64Å
285	F	95	Very high	95.2	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.7	179.2	-65.3	-74.2	0	0	0	110.6	Q281 L287 I301 E302 L303 M344 R345 V347 L349	Q281-F285 HydrophobicContact CG-CE2 4.19Å; Q281-F285 HydrophobicContact CG-CZ 4.18Å; F285-L287 PolarHBondContact O-N 2.99Å; F285-I301 HydrophobicContact CB-CD1 3.92Å; F285-I301 HydrophobicContact CB-CG1 3.95Å; F285-I301 HydrophobicContact CD2-CD1 4.29Å; F285-I301 HydrophobicContact CG-CD1 4.15Å; F285-E302 WeakPolarHBondContact CD1-O 3.34Å; F285-L303 HydrophobicContact CD1-CG 4.28Å; F285-L303 HydrophobicContact CE1-CG 4.1Å; F285-M344 CarbonylContact O-C 3.6Å; F285-M344 WeakPolarHBondContact O-CA 3.44Å; F285-R345 PolarHBondContact N-O 3.25Å; F285-R345 PolarHBondContact O-N 2.79Å; F285-V347 HydrophobicContact CB-CG2 4.3Å; F285-V347 HydrophobicContact CD2-CG2 3.58Å; F285-V347 HydrophobicContact CE2-CG2 4.45Å; F285-V347 HydrophobicContact CG-CG2 4.41Å; F285-L349 HydrophobicContact CD2-CD2 4.23Å; F285-L349 HydrophobicContact CE2-CB 4.19Å; F285-L349 HydrophobicContact CE2-CD2 3.79Å; F285-L349 HydrophobicContact CZ-CD2 4.01Å
286	N	95.8	Very high	95.1	Very high	51 Å²	51	39.5 Å²	39.5	27%	0.273	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.5	167.6	-73	-33.8	0	0	0	108.3	I301 E302 M342 H343 M344	N286-I301 WeakPolarHBondContact O-CA 3.48Å; N286-E302 HydrophobicContact CB-CB 3.97Å; N286-E302 PolarHBondContact ND2-OE2 3.01Å; N286-E302 PolarHBondContact O-N 3.15Å; N286-M342 HydrophobicContact CB-CB 3.95Å; N286-M342 HydrophobicContact CB-SD 4.35Å; N286-H343 WeakPolarHBondContact CA-O 3.35Å; N286-M344 WeakPolarHBondContact OD1-CG 3.46Å; N286-M344 PolarHBondContact OD1-N 3.11Å
287	L	96.1	Very high	95.1	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.089	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.4	-176.7	-177.6	72.3	0	0	0	110.3	F285 R299 V300 I301 M342 H343 V347 V427	F285-L287 PolarHBondContact O-N 2.99Å; L287-R299 HydrophobicContact CD1-CG 3.63Å; L287-V300 WeakPolarHBondContact CA-O 3.32Å; L287-I301 HydrophobicContact CD1-CB 3.87Å; L287-I301 HydrophobicContact CD1-CG1 4.23Å; L287-M342 WeakPolarHBondContact O-CA 3.2Å; L287-H343 PolarHBondContact N-O 3.3Å; L287-H343 PolarHBondContact O-N 3.44Å; L287-V347 HydrophobicContact CD2-CG1 4.03Å; L287-V427 HydrophobicContact CD1-CG2 4.07Å; L287-V427 HydrophobicContact CD2-CG2 3.97Å
288	G	95.2	Very high	95.1	Very high	9 Å²	9	42.9 Å²	42.9	9%	0.093	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	165.8	177.1	0	0	0	0	0	112.8	V300	G288-V300 PolarHBondContact N-O 2.94Å; G288-V300 PolarHBondContact O-N 2.94Å
289	M	95.7	Very high	95	Very high	94 Å²	94	47.6 Å²	47.6	46%	0.463	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.4	168.4	-71	-63.6	-59.2	0	0	108.1	K297 R299	M289-K297 HydrophobicContact CE-CB 3.98Å; M289-R299 HydrophobicContact SD-CB 3.8Å; M289-R299 HydrophobicContact SD-CG 4.12Å
290	A	96.1	Very high	95	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.8	174.1	0	0	0	0	0	109.4	K297 Y298 V300 L341	A290-K297 WeakPolarHBondContact O-CA 3.44Å; A290-Y298 HydrophobicContact CB-CD1 4.37Å; A290-Y298 HydrophobicContact CB-CD2 4.11Å; A290-Y298 HydrophobicContact CB-CE1 3.8Å; A290-Y298 HydrophobicContact CB-CE2 3.51Å; A290-Y298 WeakPolarHBondContact CB-OH 3.24Å; A290-Y298 PolarHBondContact N-O 3.2Å; A290-Y298 PolarHBondContact O-N 3.22Å; A290-V300 HydrophobicContact CB-CG2 4.3Å; A290-L341 HydrophobicContact CB-CD1 4.14Å
291	T	95.9	Very high	95.1	Very high	80 Å²	80	46.8 Å²	46.8	49%	0.491	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.6	-178.9	-49.2	0	0	0	0	108.3	G295 V296 K297	T291-G295 VanDerWaalsContact CG2-C 3.46Å; T291-V296 CarbonylContact C-O 3.59Å; T291-V296 VanDerWaalsContact CA-O 3.29Å; T291-V296 WeakPolarHBondContact CA-O 3.35Å; T291-K297 HydrophobicContact CG2-CG 4.23Å
292	T	95.6	Very high	95.3	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.049	26%	0.257	C	S	.	.			trans	-70.4	163.7	171.9	70.1	0	0	0	0	110.3	Q294 G295 V296 Y298 H329	T292-Q294 PolarHBondContact O-N 2.82Å; T292-Q294 PolarHBondContact OG1-N 3Å; T292-Q294 PolarHBondContact OG1-OE1 3.14Å; T292-G295 PolarHBondContact O-N 3.16Å; T292-V296 HydrophobicContact CG2-CB 4.02Å; T292-V296 PolarHBondContact N-O 3.15Å; T292-V296 VanDerWaalsContact OG1-CB 3.31Å; T292-V296 WeakPolarHBondContact OG1-CB 3.36Å; T292-V296 PolarHBondContact OG1-N 2.83Å; T292-V296 VanDerWaalsContact OG1-N 3.13Å; T292-Y298 HydrophobicContact CG2-CD1 4.16Å; T292-Y298 HydrophobicContact CG2-CE1 3.87Å; T292-H329 HydrophobicContact CG2-CB 4.28Å
293	P	93.8	Very high	95.5	Very high	111 Å²	111	43.6 Å²	43.6	72%	0.721	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.8	172.6	-26.9	36.3	0	0	0	114.1	G295	P293-G295 VanDerWaalsContact C-N 3.29Å
294	Q	91.7	Very high	95.6	Very high	120 Å²	120	44.4 Å²	44.4	56%	0.561	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	4.5	178.8	-64.7	71.2	17.2	0	0	112.9	T292 V296 H329	T292-Q294 PolarHBondContact O-N 2.82Å; T292-Q294 PolarHBondContact OG1-N 3Å; T292-Q294 PolarHBondContact OG1-OE1 3.14Å; Q294-V296 VanDerWaalsContact C-N 3.34Å; Q294-V296 HydrophobicContact CB-CG2 4.49Å; Q294-H329 PolarHBondContact NE2-CE1 2.97Å; Q294-H329 PolarHBondContact OE1-CD2 2.78Å; Q294-H329 PolarHBondContact OE1-CE1 3.26Å; Q294-H329 PolarHBondContact OE1-NE2 3.46Å
295	G	94.1	Very high	95.7	Very high	47 Å²	47	42.5 Å²	42.5	49%	0.485	23%	0.232	S	C	.	.	S	Bend	trans	84.2	4	179.3	0	0	0	0	0	114.7	T291 T292 P293 K297	T291-G295 VanDerWaalsContact CG2-C 3.46Å; T292-G295 PolarHBondContact O-N 3.16Å; P293-G295 VanDerWaalsContact C-N 3.29Å; G295-K297 PolarHBondContact O-N 2.86Å
296	V	95.4	Very high	95.5	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.2	25%	0.246	C	C	.	.			trans	-74.6	120.5	179.6	-178.9	0	0	0	0	109.8	T291 T292 Q294 T321 V326	T291-V296 CarbonylContact C-O 3.59Å; T291-V296 VanDerWaalsContact CA-O 3.29Å; T291-V296 WeakPolarHBondContact CA-O 3.35Å; T292-V296 HydrophobicContact CG2-CB 4.02Å; T292-V296 PolarHBondContact N-O 3.15Å; T292-V296 VanDerWaalsContact OG1-CB 3.31Å; T292-V296 WeakPolarHBondContact OG1-CB 3.36Å; T292-V296 PolarHBondContact OG1-N 2.83Å; T292-V296 VanDerWaalsContact OG1-N 3.13Å; Q294-V296 VanDerWaalsContact C-N 3.34Å; Q294-V296 HydrophobicContact CB-CG2 4.49Å; V296-T321 HydrophobicContact CG1-CG2 3.3Å; V296-V326 HydrophobicContact CG1-CG2 4.28Å
297	K	95.7	Very high	95.2	Very high	126 Å²	126	43.6 Å²	43.6	55%	0.548	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.7	-179.9	-66.1	179	-176.6	173.1	0	111.1	M289 A290 T291 G295 A318	M289-K297 HydrophobicContact CE-CB 3.98Å; A290-K297 WeakPolarHBondContact O-CA 3.44Å; T291-K297 HydrophobicContact CG2-CG 4.23Å; G295-K297 PolarHBondContact O-N 2.86Å; K297-A318 PolarHBondContact O-N 3.02Å
298	Y	97.1	Very high	95	Very high	10 Å²	10	47 Å²	47	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.1	172.9	61.7	-84.3	0	0	0	110.4	A290 T292 V300 A315 V316 V326 W338	A290-Y298 HydrophobicContact CB-CD1 4.37Å; A290-Y298 HydrophobicContact CB-CD2 4.11Å; A290-Y298 HydrophobicContact CB-CE1 3.8Å; A290-Y298 HydrophobicContact CB-CE2 3.51Å; A290-Y298 WeakPolarHBondContact CB-OH 3.24Å; A290-Y298 PolarHBondContact N-O 3.2Å; A290-Y298 PolarHBondContact O-N 3.22Å; T292-Y298 HydrophobicContact CG2-CD1 4.16Å; T292-Y298 HydrophobicContact CG2-CE1 3.87Å; Y298-V300 HydrophobicContact CD2-CG2 3.65Å; Y298-V300 HydrophobicContact CE2-CG2 3.49Å; Y298-V300 VanDerWaalsContact CE2-CG2 3.49Å; Y298-A315 HydrophobicContact CD2-CB 4.03Å; Y298-A315 HydrophobicContact CE2-CB 4.34Å; Y298-V316 CarbonylContact C-O 3.55Å; Y298-V316 WeakPolarHBondContact CA-O 3.28Å; Y298-V316 WeakPolarHBondContact CB-O 3.27Å; Y298-V326 HydrophobicContact CD1-CG1 3.88Å; Y298-V326 HydrophobicContact CD1-CG2 4.11Å; Y298-V326 HydrophobicContact CD2-CG1 4.19Å; Y298-V326 HydrophobicContact CE1-CG1 4.04Å; Y298-V326 HydrophobicContact CE2-CG1 4.32Å; Y298-V326 HydrophobicContact CG-CG1 3.96Å; Y298-V326 HydrophobicContact CG-CG2 4.3Å; Y298-W338 AromaticContact CE2-CE2 3.99Å; Y298-W338 AromaticContact CE2-CZ2 3.88Å; Y298-W338 HydrophobicContact CE2-CZ2 3.88Å; Y298-W338 AromaticContact CE2-NE1 3.69Å; Y298-W338 AromaticContact CZ-NE1 3.86Å; Y298-W338 PolarHBondContact OH-NE1 3.33Å; Y298-W338 VanDerWaalsContact OH-NE1 3.13Å
299	R	96.8	Very high	95	Very high	100 Å²	100	47.9 Å²	47.9	38%	0.377	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.9	178.7	-173.7	173	-69.3	157.8	4.3	109.1	L287 M289 A315 V316	L287-R299 HydrophobicContact CD1-CG 3.63Å; M289-R299 HydrophobicContact SD-CB 3.8Å; M289-R299 HydrophobicContact SD-CG 4.12Å; R299-A315 CarbonylContact O-C 3.53Å; R299-A315 VanDerWaalsContact O-CA 3.31Å; R299-A315 WeakPolarHBondContact O-CA 3.28Å; R299-V316 PolarHBondContact N-O 2.87Å; R299-V316 PolarHBondContact O-N 2.83Å
300	V	97.9	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.3	175	-173.4	0	0	0	0	109	L287 G288 A290 Y298 L313 I314 A315 W338 M342	L287-V300 WeakPolarHBondContact CA-O 3.32Å; G288-V300 PolarHBondContact N-O 2.94Å; G288-V300 PolarHBondContact O-N 2.94Å; A290-V300 HydrophobicContact CB-CG2 4.3Å; Y298-V300 HydrophobicContact CD2-CG2 3.65Å; Y298-V300 HydrophobicContact CE2-CG2 3.49Å; Y298-V300 VanDerWaalsContact CE2-CG2 3.49Å; V300-L313 HydrophobicContact CG1-CD2 4.5Å; V300-I314 VanDerWaalsContact CA-O 3.31Å; V300-I314 WeakPolarHBondContact CA-O 3.5Å; V300-A315 HydrophobicContact CG2-CB 4.37Å; V300-W338 HydrophobicContact CB-CD2 4.44Å; V300-W338 HydrophobicContact CG1-CB 4.32Å; V300-W338 HydrophobicContact CG1-CD2 3.75Å; V300-W338 HydrophobicContact CG1-CE3 3.64Å; V300-W338 HydrophobicContact CG1-CG 4.08Å; V300-W338 HydrophobicContact CG1-CZ3 4.14Å; V300-W338 HydrophobicContact CG2-CD2 4Å; V300-W338 HydrophobicContact CG2-CG 4.18Å; V300-W338 HydrophobicContact CG2-CZ2 4.22Å; V300-M342 HydrophobicContact CB-SD 4.31Å; V300-M342 HydrophobicContact CG1-SD 3.8Å
301	I	97.6	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.6	174.5	-171.6	174.7	0	0	0	110.1	F285 N286 L287 L303 L313 I314 V347 L349 V427	F285-I301 HydrophobicContact CB-CD1 3.92Å; F285-I301 HydrophobicContact CB-CG1 3.95Å; F285-I301 HydrophobicContact CD2-CD1 4.29Å; F285-I301 HydrophobicContact CG-CD1 4.15Å; N286-I301 WeakPolarHBondContact O-CA 3.48Å; L287-I301 HydrophobicContact CD1-CB 3.87Å; L287-I301 HydrophobicContact CD1-CG1 4.23Å; I301-L303 HydrophobicContact CB-CD1 4.5Å; I301-L303 HydrophobicContact CD1-CD1 4.29Å; I301-L303 HydrophobicContact CG1-CD1 4.05Å; I301-L303 HydrophobicContact CG2-CD1 3.91Å; I301-L313 WeakPolarHBondContact O-CA 3.38Å; I301-I314 HydrophobicContact CG2-CB 3.81Å; I301-I314 PolarHBondContact N-O 3Å; I301-I314 PolarHBondContact O-N 2.67Å; I301-V347 HydrophobicContact CD1-CG2 4.36Å; I301-L349 HydrophobicContact CD1-CD1 3.68Å; I301-L349 HydrophobicContact CD1-CD2 3.94Å; I301-L349 HydrophobicContact CD1-CG 4.36Å; I301-V427 HydrophobicContact CD1-CG1 4.27Å
302	E	97.8	Very high	95.1	Very high	29 Å²	29	39.5 Å²	39.5	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.7	174.2	-173.4	-174.5	-161.1	0	0	110.9	F285 N286 S311 M312 L313 M342	F285-E302 WeakPolarHBondContact CD1-O 3.34Å; N286-E302 HydrophobicContact CB-CB 3.97Å; N286-E302 PolarHBondContact ND2-OE2 3.01Å; N286-E302 PolarHBondContact O-N 3.15Å; E302-S311 VanDerWaalsContact OE1-CB 3.27Å; E302-S311 WeakPolarHBondContact OE1-CB 3.28Å; E302-S311 PolarHBondContact OE1-OG 2.87Å; E302-M312 CarbonylContact C-O 3.52Å; E302-M312 WeakPolarHBondContact CA-O 3.24Å; E302-L313 HydrophobicContact CB-CD2 3.72Å; E302-L313 HydrophobicContact CG-CD2 3.79Å; E302-M342 HydrophobicContact CB-CE 4.07Å; E302-M342 HydrophobicContact CB-SD 4.1Å
303	L	96.4	Very high	95.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	104.1	174	-70.3	77.5	0	0	0	108.5	W252 F256 F285 I301 S311 M312 I314 L349 I351	W252-L303 HydrophobicContact CE3-CB 4.01Å; W252-L303 HydrophobicContact CE3-CD2 4.38Å; W252-L303 HydrophobicContact CH2-CB 4.41Å; W252-L303 HydrophobicContact CH2-CD2 4.18Å; W252-L303 HydrophobicContact CZ3-CB 3.61Å; W252-L303 HydrophobicContact CZ3-CD2 4.05Å; F256-L303 HydrophobicContact CE2-CD2 4.46Å; F256-L303 HydrophobicContact CZ-CD2 4.2Å; F285-L303 HydrophobicContact CD1-CG 4.28Å; F285-L303 HydrophobicContact CE1-CG 4.1Å; I301-L303 HydrophobicContact CB-CD1 4.5Å; I301-L303 HydrophobicContact CD1-CD1 4.29Å; I301-L303 HydrophobicContact CG1-CD1 4.05Å; I301-L303 HydrophobicContact CG2-CD1 3.91Å; L303-S311 WeakPolarHBondContact O-CA 3.42Å; L303-M312 HydrophobicContact CB-CB 4.41Å; L303-M312 PolarHBondContact N-O 3.25Å; L303-M312 PolarHBondContact O-N 3.06Å; L303-I314 HydrophobicContact CD1-CD1 4.03Å; L303-I314 HydrophobicContact CD1-CG1 4.45Å; L303-L349 HydrophobicContact CD1-CD2 4.23Å; L303-L349 HydrophobicContact CD2-CD2 3.83Å; L303-L349 HydrophobicContact CG-CD2 4.09Å; L303-I351 HydrophobicContact CD2-CD1 3.84Å
304	P	95.9	Very high	95.4	Very high	37 Å²	37	34.2 Å²	34.2	24%	0.24	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142	178.1	27.8	-32.6	0	0	0	111.6	K253	K253-P304 HydrophobicContact CB-CB 4.3Å; K253-P304 HydrophobicContact CB-CG 4.09Å; K253-P304 VanDerWaalsContact CB-O 3.27Å; K253-P304 WeakPolarHBondContact CB-O 3.42Å; K253-P304 HydrophobicContact CD-CB 4.22Å; K253-P304 HydrophobicContact CD-CG 3.91Å; K253-P304 PolarHBondContact N-O 2.79Å
305	Y	94.8	Very high	95.7	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.02	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-84	167	166.3	-67.8	-84.8	0	0	0	111	D165 F248 S251 W252 G307 N308 I310 M312	D165-Y305 VanDerWaalsContact OD2-CB 3.23Å; D165-Y305 WeakPolarHBondContact OD2-CB 3.47Å; F248-Y305 HydrophobicContact CE1-CD1 4.36Å; F248-Y305 HydrophobicContact CE1-CD2 4.45Å; F248-Y305 AromaticContact CE1-CE1 3.72Å; F248-Y305 HydrophobicContact CE1-CE1 3.72Å; F248-Y305 AromaticContact CE1-CE2 3.82Å; F248-Y305 HydrophobicContact CE1-CE2 3.82Å; F248-Y305 AromaticContact CE1-CZ 3.41Å; F248-Y305 VanDerWaalsContact CE1-CZ 3.41Å; F248-Y305 WeakPolarHBondContact CE1-OH 3.43Å; F248-Y305 HydrophobicContact CZ-CD1 4.06Å; F248-Y305 AromaticContact CZ-CD2 3.94Å; F248-Y305 HydrophobicContact CZ-CD2 3.94Å; F248-Y305 AromaticContact CZ-CE1 3.88Å; F248-Y305 HydrophobicContact CZ-CE1 3.88Å; F248-Y305 AromaticContact CZ-CE2 3.76Å; F248-Y305 HydrophobicContact CZ-CE2 3.76Å; F248-Y305 HydrophobicContact CZ-CG 4.09Å; F248-Y305 AromaticContact CZ-CZ 3.73Å; S251-Y305 CarbonylContact O-C 3.56Å; S251-Y305 WeakPolarHBondContact O-CA 3.23Å; W252-Y305 HydrophobicContact CD2-CD1 4.47Å; W252-Y305 HydrophobicContact CD2-CE1 4.14Å; W252-Y305 AromaticContact CE3-CD1 3.93Å; W252-Y305 HydrophobicContact CE3-CD1 3.93Å; W252-Y305 AromaticContact CE3-CE1 3.67Å; W252-Y305 HydrophobicContact CE3-CE1 3.67Å; W252-Y305 HydrophobicContact CE3-CG 4.47Å; W252-Y305 AromaticContact CH2-CE1 3.87Å; W252-Y305 HydrophobicContact CH2-CE1 3.87Å; W252-Y305 HydrophobicContact CH2-CE2 4.42Å; W252-Y305 AromaticContact CH2-CZ 3.6Å; W252-Y305 VanDerWaalsContact CH2-OH 3.28Å; W252-Y305 WeakPolarHBondContact CH2-OH 3.46Å; W252-Y305 HydrophobicContact CZ2-CE1 4.3Å; W252-Y305 HydrophobicContact CZ3-CD1 4.14Å; W252-Y305 HydrophobicContact CZ3-CD2 4.43Å; W252-Y305 AromaticContact CZ3-CE1 3.53Å; W252-Y305 HydrophobicContact CZ3-CE1 3.53Å; W252-Y305 AromaticContact CZ3-CE2 3.87Å; W252-Y305 HydrophobicContact CZ3-CE2 3.87Å; W252-Y305 AromaticContact CZ3-CZ 3.36Å; Y305-G307 VanDerWaalsContact C-N 3.29Å; Y305-G307 PolarHBondContact O-N 3.15Å; Y305-N308 PolarHBondContact O-N 2.65Å; Y305-I310 HydrophobicContact CD2-CB 4.2Å; Y305-I310 HydrophobicContact CD2-CG2 3.76Å; Y305-I310 HydrophobicContact CE2-CG2 4.16Å; Y305-I310 PolarHBondContact N-O 3.16Å; Y305-M312 HydrophobicContact CE2-CB 3.96Å; Y305-M312 WeakPolarHBondContact OH-CE 3.44Å
306	H	90.9	Very high	95.9	Very high	72 Å²	72	26.7 Å²	26.7	33%	0.333	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-43.6	-170.7	172	49.5	0	0	0	112.6	Q164 S251 N308 T408	Q164-H306 PolarHBondContact OE1-CD2 3.11Å; Q164-H306 VanDerWaalsContact OE1-CD2 3.28Å; Q164-H306 PolarHBondContact OE1-NE2 3.01Å; Q164-H306 VanDerWaalsContact OE1-NE2 3.11Å; S251-H306 WeakPolarHBondContact O-CB 3.44Å; S251-H306 PolarHBondContact O-N 3.49Å; H306-N308 PolarHBondContact O-N 2.93Å; H306-N308 VanDerWaalsContact O-N 3.15Å; H306-N308 PolarHBondContact O-ND2 3.11Å; H306-T408 HydrophobicContact CB-CG2 4.07Å; H306-T408 WeakPolarHBondContact ND1-CG2 3.49Å
307	G	89.6	Confident	95.8	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.8	-178	0	0	0	0	0	115.2	N163 D165 Y305 T309	N163-G307 WeakPolarHBondContact O-CA 3.31Å; D165-G307 PolarHBondContact OD2-N 3.09Å; D165-G307 VanDerWaalsContact OD2-N 3.13Å; Y305-G307 VanDerWaalsContact C-N 3.29Å; Y305-G307 PolarHBondContact O-N 3.15Å; G307-T309 PolarHBondContact O-N 2.93Å
308	N	91.8	Very high	95.6	Very high	87 Å²	87	21.2 Å²	21.2	47%	0.465	11%	0.113	S	C	.	.	S	Bend	trans	57	3.9	-175.5	-61.2	-74.6	0	0	0	115.7	K253 Y305 H306	K253-N308 VanDerWaalsContact CD-OD1 3.27Å; K253-N308 WeakPolarHBondContact CD-OD1 3.32Å; K253-N308 VanDerWaalsContact CE-OD1 3.27Å; K253-N308 WeakPolarHBondContact CE-OD1 3.46Å; K253-N308 PolarHBondContact NZ-OD1 3.48Å; Y305-N308 PolarHBondContact O-N 2.65Å; H306-N308 PolarHBondContact O-N 2.93Å; H306-N308 VanDerWaalsContact O-N 3.15Å; H306-N308 PolarHBondContact O-ND2 3.11Å
309	T	94.6	Very high	94.9	Very high	28 Å²	28	27.2 Å²	27.2	17%	0.172	14%	0.142	C	C	.	.	S	Bend	trans	-92.3	-23.1	173.6	60.6	0	0	0	0	112.1	N163 G307 H439 N440 P441	N163-T309 WeakPolarHBondContact CB-OG1 3.42Å; N163-T309 PolarHBondContact OD1-OG1 2.87Å; G307-T309 PolarHBondContact O-N 2.93Å; T309-H439 CarbonylContact O-C 3.54Å; T309-N440 WeakPolarHBondContact O-CB 3.4Å; T309-N440 PolarHBondContact O-N 2.97Å; T309-P441 HydrophobicContact CG2-CG 4.22Å; T309-P441 WeakPolarHBondContact O-CD 3.24Å
310	I	95.6	Very high	94.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.4	179.7	-57.3	175.5	0	0	0	109.2	D165 V167 F248 Y305 I437 R438 H439 L446	D165-I310 HydrophobicContact CB-CD1 4.25Å; V167-I310 HydrophobicContact CG2-CD1 3.4Å; F248-I310 HydrophobicContact CE2-CD1 3.83Å; F248-I310 HydrophobicContact CE2-CG2 4.1Å; F248-I310 HydrophobicContact CZ-CG2 4Å; Y305-I310 HydrophobicContact CD2-CB 4.2Å; Y305-I310 HydrophobicContact CD2-CG2 3.76Å; Y305-I310 HydrophobicContact CE2-CG2 4.16Å; Y305-I310 PolarHBondContact N-O 3.16Å; I310-I437 HydrophobicContact CG2-CG2 3.44Å; I310-I437 VanDerWaalsContact CG2-CG2 3.44Å; I310-R438 VanDerWaalsContact CA-O 3.29Å; I310-R438 WeakPolarHBondContact CA-O 3.48Å; I310-H439 HydrophobicContact CG1-CB 4.42Å; I310-L446 HydrophobicContact CD1-CD1 4.09Å
311	S	96.6	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.2	169.9	54.1	0	0	0	0	111.4	E302 L303 I437 R438 N440	E302-S311 VanDerWaalsContact OE1-CB 3.27Å; E302-S311 WeakPolarHBondContact OE1-CB 3.28Å; E302-S311 PolarHBondContact OE1-OG 2.87Å; L303-S311 WeakPolarHBondContact O-CA 3.42Å; S311-I437 WeakPolarHBondContact O-CA 3.29Å; S311-R438 PolarHBondContact N-O 2.93Å; S311-R438 PolarHBondContact O-N 3.48Å; S311-N440 PolarHBondContact OG-ND2 2.95Å; S311-N440 PolarHBondContact OG-OD1 2.93Å
312	M	97.4	Very high	93.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.7	165	-177.9	176.9	-73.6	0	0	108.9	W252 E302 L303 Y305 I314 I401 V403 F435 L436 I437	W252-M312 HydrophobicContact CH2-CB 3.95Å; W252-M312 HydrophobicContact CH2-CE 3.9Å; W252-M312 HydrophobicContact CH2-CG 4.48Å; W252-M312 HydrophobicContact CH2-SD 3.78Å; W252-M312 HydrophobicContact CZ3-CB 3.9Å; E302-M312 CarbonylContact C-O 3.52Å; E302-M312 WeakPolarHBondContact CA-O 3.24Å; L303-M312 HydrophobicContact CB-CB 4.41Å; L303-M312 PolarHBondContact N-O 3.25Å; L303-M312 PolarHBondContact O-N 3.06Å; Y305-M312 HydrophobicContact CE2-CB 3.96Å; Y305-M312 WeakPolarHBondContact OH-CE 3.44Å; M312-I314 HydrophobicContact CG-CG1 4.03Å; M312-I314 HydrophobicContact SD-CD1 4.04Å; M312-I314 HydrophobicContact SD-CG1 4.03Å; M312-I401 HydrophobicContact CE-CD1 4Å; M312-V403 HydrophobicContact CE-CG2 3.58Å; M312-F435 HydrophobicContact CE-CD2 4.2Å; M312-F435 HydrophobicContact CG-CB 4.45Å; M312-F435 HydrophobicContact SD-CB 4.38Å; M312-L436 CarbonylContact C-O 3.38Å; M312-L436 VanDerWaalsContact CA-O 3.28Å; M312-L436 WeakPolarHBondContact CA-O 3.33Å; M312-I437 HydrophobicContact CE-CD1 4.08Å; M312-I437 HydrophobicContact CE-CG1 4.12Å
313	L	98	Very high	93.6	Very high	6 Å²	6	35 Å²	35	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130	170	-64.1	160.3	0	0	0	107.7	V300 I301 E302 V335 W338 M342 F435 L436 R438	V300-L313 HydrophobicContact CG1-CD2 4.5Å; I301-L313 WeakPolarHBondContact O-CA 3.38Å; E302-L313 HydrophobicContact CB-CD2 3.72Å; E302-L313 HydrophobicContact CG-CD2 3.79Å; L313-V335 HydrophobicContact CD1-CG1 3.72Å; L313-W338 HydrophobicContact CB-CE3 4.32Å; L313-W338 HydrophobicContact CB-CZ3 3.96Å; L313-W338 HydrophobicContact CD1-CE3 3.96Å; L313-W338 HydrophobicContact CD1-CZ3 4.04Å; L313-W338 HydrophobicContact CD2-CE3 4.38Å; L313-W338 HydrophobicContact CG-CE3 4.46Å; L313-M342 HydrophobicContact CD2-CE 3.85Å; L313-M342 HydrophobicContact CD2-SD 4.38Å; L313-F435 CarbonylContact O-C 3.58Å; L313-F435 VanDerWaalsContact O-CA 3.24Å; L313-F435 WeakPolarHBondContact O-CA 3.38Å; L313-L436 HydrophobicContact CB-CB 4.36Å; L313-L436 PolarHBondContact N-O 3.12Å; L313-L436 PolarHBondContact O-N 2.83Å; L313-R438 HydrophobicContact CD1-CB 4.29Å
314	I	98.1	Very high	93.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.2	175	-60.1	174.3	0	0	0	108	V300 I301 L303 M312 V316 I351 V429 F433 L434 F435	V300-I314 VanDerWaalsContact CA-O 3.31Å; V300-I314 WeakPolarHBondContact CA-O 3.5Å; I301-I314 HydrophobicContact CG2-CB 3.81Å; I301-I314 PolarHBondContact N-O 3Å; I301-I314 PolarHBondContact O-N 2.67Å; L303-I314 HydrophobicContact CD1-CD1 4.03Å; L303-I314 HydrophobicContact CD1-CG1 4.45Å; M312-I314 HydrophobicContact CG-CG1 4.03Å; M312-I314 HydrophobicContact SD-CD1 4.04Å; M312-I314 HydrophobicContact SD-CG1 4.03Å; I314-V316 HydrophobicContact CG2-CG2 3.73Å; I314-I351 HydrophobicContact CD1-CG2 3.98Å; I314-V429 HydrophobicContact CG2-CG1 4.25Å; I314-V429 HydrophobicContact CG2-CG2 4.21Å; I314-F433 HydrophobicContact CG2-CB 4.28Å; I314-F433 HydrophobicContact CG2-CD2 3.8Å; I314-F433 HydrophobicContact CG2-CG 4.32Å; I314-L434 CarbonylContact C-O 3.46Å; I314-L434 WeakPolarHBondContact CA-O 3.4Å; I314-F435 HydrophobicContact CG1-CB 4.34Å
315	A	98.1	Very high	93.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119	173.2	0	0	0	0	0	109.6	Y298 R299 V300 W338 L434	Y298-A315 HydrophobicContact CD2-CB 4.03Å; Y298-A315 HydrophobicContact CE2-CB 4.34Å; R299-A315 CarbonylContact O-C 3.53Å; R299-A315 VanDerWaalsContact O-CA 3.31Å; R299-A315 WeakPolarHBondContact O-CA 3.28Å; V300-A315 HydrophobicContact CG2-CB 4.37Å; A315-W338 HydrophobicContact CB-CH2 4.19Å; A315-W338 HydrophobicContact CB-CZ2 4.36Å; A315-L434 HydrophobicContact CB-CB 4.31Å; A315-L434 HydrophobicContact CB-CD2 4.46Å; A315-L434 PolarHBondContact N-O 2.66Å; A315-L434 PolarHBondContact O-N 3.39Å
316	V	97.1	Very high	93.4	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.8	-179.3	-167.5	0	0	0	0	108.7	Y298 R299 I314 V429 R431 F433	Y298-V316 CarbonylContact C-O 3.55Å; Y298-V316 WeakPolarHBondContact CA-O 3.28Å; Y298-V316 WeakPolarHBondContact CB-O 3.27Å; R299-V316 PolarHBondContact N-O 2.87Å; R299-V316 PolarHBondContact O-N 2.83Å; I314-V316 HydrophobicContact CG2-CG2 3.73Å; V316-V429 HydrophobicContact CG2-CB 4.43Å; V316-V429 HydrophobicContact CG2-CG1 4.03Å; V316-V429 HydrophobicContact CG2-CG2 3.92Å; V316-R431 HydrophobicContact CG1-CG 3.94Å; V316-F433 HydrophobicContact CG2-CB 4.15Å
317	P	95	Very high	93.7	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	159.5	172.3	-21.2	32.2	0	0	0	112.4	T321 L323 V326 R431	P317-T321 HydrophobicContact CB-CG2 3.85Å; P317-T321 WeakPolarHBondContact CB-O 3.5Å; P317-L323 HydrophobicContact CG-CB 4.22Å; P317-L323 HydrophobicContact CG-CD1 3.69Å; P317-V326 HydrophobicContact CB-CG2 4.42Å; P317-V326 HydrophobicContact CG-CG2 4.12Å; P317-R431 PolarHBondContact O-NH1 3.34Å
318	A	90.1	Very high	94	Very high	41 Å²	41	36.7 Å²	36.7	34%	0.339	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-58.1	168.3	166.3	0	0	0	0	0	111.4	K297 T321	K297-A318 PolarHBondContact O-N 3.02Å; A318-T321 WeakPolarHBondContact O-CB 3.23Å; A318-T321 PolarHBondContact O-N 3.29Å
319	E	83.3	Confident	94.2	Very high	136 Å²	136	35.1 Å²	35.1	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	147.3	173.4	-70.5	175.7	-174.2	0	0	110.2	T321 R431	E319-T321 PolarHBondContact O-N 3.15Å; E319-T321 PolarHBondContact O-OG1 3.25Å; E319-R431 VanDerWaalsContact CG-CZ 3.49Å; E319-R431 IonicContact OE1-CZ 3.94Å; E319-R431 IonicContact OE1-NH2 3.04Å; E319-R431 PolarHBondContact OE1-NH2 2.87Å
320	D	84.1	Confident	94.3	Very high	172 Å²	172	34 Å²	34	92%	0.92	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	12.1	-178.6	-49.1	-43.7	0	0	0	115.9
321	T	90.7	Very high	94.4	Very high	39 Å²	39	35.5 Å²	35.5	24%	0.239	21%	0.209	C	C	.	.			trans	-103.7	119.1	178.6	-58.8	0	0	0	0	110.2	V296 P317 A318 E319 S325	V296-T321 HydrophobicContact CG1-CG2 3.3Å; P317-T321 HydrophobicContact CB-CG2 3.85Å; P317-T321 WeakPolarHBondContact CB-O 3.5Å; A318-T321 WeakPolarHBondContact O-CB 3.23Å; A318-T321 PolarHBondContact O-N 3.29Å; E319-T321 PolarHBondContact O-N 3.15Å; E319-T321 PolarHBondContact O-OG1 3.25Å; T321-S325 WeakPolarHBondContact CG2-OG 3.29Å
322	P	92.4	Very high	94.3	Very high	77 Å²	77	36.3 Å²	36.3	50%	0.5	21%	0.214	S	C	.	.			trans	-70.4	141.4	179.5	30.1	-35.2	0	0	0	110.8	S324 S325	P322-S324 PolarHBondContact O-N 3.32Å; P322-S324 VanDerWaalsContact O-N 3.16Å; P322-S325 WeakPolarHBondContact O-CB 3.5Å; P322-S325 PolarHBondContact O-N 2.78Å; P322-S325 PolarHBondContact O-OG 2.88Å
323	L	94.8	Very high	94.1	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60	-27.7	178.3	-174.5	65.3	0	0	0	112.8	P317 S325 V326 I327 P432 F433 L434 Q450	P317-L323 HydrophobicContact CG-CB 4.22Å; P317-L323 HydrophobicContact CG-CD1 3.69Å; L323-S325 PolarHBondContact O-N 3.36Å; L323-S325 VanDerWaalsContact O-N 3.15Å; L323-V326 PolarHBondContact O-N 2.81Å; L323-I327 HydrophobicContact CD1-CG1 4.46Å; L323-I327 HydrophobicContact CD2-CD1 3.87Å; L323-I327 HydrophobicContact CG-CD1 3.75Å; L323-I327 HydrophobicContact CG-CG1 4.02Å; L323-I327 PolarHBondContact O-N 2.69Å; L323-I327 VanDerWaalsContact O-N 3.15Å; L323-P432 HydrophobicContact CB-CB 4.18Å; L323-P432 HydrophobicContact CD2-CB 4.27Å; L323-F433 VanDerWaalsContact CD2-C 3.48Å; L323-L434 HydrophobicContact CD1-CB 4.05Å; L323-Q450 HydrophobicContact CD2-CB 3.88Å
324	S	93.9	Very high	94	Very high	73 Å²	73	40.7 Å²	40.7	51%	0.51	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-59.5	-21.2	174.5	60	0	0	0	0	113.7	P322 V326 P328	P322-S324 PolarHBondContact O-N 3.32Å; P322-S324 VanDerWaalsContact O-N 3.16Å; S324-V326 VanDerWaalsContact C-N 3.33Å; S324-P328 WeakPolarHBondContact O-CD 3.33Å; S324-P328 VanDerWaalsContact O-CG 3.32Å; S324-P328 WeakPolarHBondContact O-CG 3.46Å
325	S	94.1	Very high	93.9	Very high	29 Å²	29	40.9 Å²	40.9	20%	0.203	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13.3	174	70	0	0	0	0	113.8	T321 P322 L323 H329	T321-S325 WeakPolarHBondContact CG2-OG 3.29Å; P322-S325 WeakPolarHBondContact O-CB 3.5Å; P322-S325 PolarHBondContact O-N 2.78Å; P322-S325 PolarHBondContact O-OG 2.88Å; L323-S325 PolarHBondContact O-N 3.36Å; L323-S325 VanDerWaalsContact O-N 3.15Å; S325-H329 PolarHBondContact O-CD2 2.78Å; S325-H329 VanDerWaalsContact O-CD2 3.27Å
326	V	96.1	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-46.7	-178.2	178.8	0	0	0	0	111.4	V296 Y298 P317 L323 S324 P328 H329 I330	V296-V326 HydrophobicContact CG1-CG2 4.28Å; Y298-V326 HydrophobicContact CD1-CG1 3.88Å; Y298-V326 HydrophobicContact CD1-CG2 4.11Å; Y298-V326 HydrophobicContact CD2-CG1 4.19Å; Y298-V326 HydrophobicContact CE1-CG1 4.04Å; Y298-V326 HydrophobicContact CE2-CG1 4.32Å; Y298-V326 HydrophobicContact CG-CG1 3.96Å; Y298-V326 HydrophobicContact CG-CG2 4.3Å; P317-V326 HydrophobicContact CB-CG2 4.42Å; P317-V326 HydrophobicContact CG-CG2 4.12Å; L323-V326 PolarHBondContact O-N 2.81Å; S324-V326 VanDerWaalsContact C-N 3.33Å; V326-P328 VanDerWaalsContact C-CD 3.44Å; V326-H329 PolarHBondContact O-N 3.3Å; V326-I330 HydrophobicContact CG1-CD1 3.99Å; V326-I330 HydrophobicContact CG1-CG1 4.41Å
327	I	96.8	Very high	93.5	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-51.1	-44	-174.1	-71.2	173.7	0	0	0	114.2	F98 Q99 V102 L323 H329 I330 Q450	F98-I327 HydrophobicContact CD1-CG2 4.36Å; F98-I327 HydrophobicContact CE1-CD1 4.29Å; F98-I327 HydrophobicContact CE1-CG2 4.02Å; Q99-I327 HydrophobicContact CG-CG2 3.99Å; Q99-I327 PolarHBondContact NE2-O 2.68Å; V102-I327 HydrophobicContact CG1-CD1 3.94Å; V102-I327 HydrophobicContact CG1-CG2 4.39Å; L323-I327 HydrophobicContact CD1-CG1 4.46Å; L323-I327 HydrophobicContact CD2-CD1 3.87Å; L323-I327 HydrophobicContact CG-CD1 3.75Å; L323-I327 HydrophobicContact CG-CG1 4.02Å; L323-I327 PolarHBondContact O-N 2.69Å; L323-I327 VanDerWaalsContact O-N 3.15Å; I327-H329 PolarHBondContact O-N 2.93Å; I327-H329 VanDerWaalsContact O-N 3.11Å; I327-I330 PolarHBondContact O-N 2.96Å; I327-I330 VanDerWaalsContact O-N 3.11Å; I327-Q450 HydrophobicContact CD1-CB 4.09Å
328	P	95.9	Very high	93.5	Very high	54 Å²	54	46.2 Å²	46.2	35%	0.351	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-62.6	-19.1	-179.4	-24.6	35.5	0	0	0	114.4	Q99 S324 V326	Q99-P328 PolarHBondContact NE2-O 2.97Å; S324-P328 WeakPolarHBondContact O-CD 3.33Å; S324-P328 VanDerWaalsContact O-CG 3.32Å; S324-P328 WeakPolarHBondContact O-CG 3.46Å; V326-P328 VanDerWaalsContact C-CD 3.44Å
329	H	96.3	Very high	93.4	Very high	54 Å²	54	47.5 Å²	47.5	25%	0.25	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-98.5	1.2	-178.7	-55.4	-58.7	0	0	0	112.9	T292 Q294 S325 V326 I327 T334	T292-H329 HydrophobicContact CG2-CB 4.28Å; Q294-H329 PolarHBondContact NE2-CE1 2.97Å; Q294-H329 PolarHBondContact OE1-CD2 2.78Å; Q294-H329 PolarHBondContact OE1-CE1 3.26Å; Q294-H329 PolarHBondContact OE1-NE2 3.46Å; S325-H329 PolarHBondContact O-CD2 2.78Å; S325-H329 VanDerWaalsContact O-CD2 3.27Å; V326-H329 PolarHBondContact O-N 3.3Å; I327-H329 PolarHBondContact O-N 2.93Å; I327-H329 VanDerWaalsContact O-N 3.11Å; H329-T334 WeakPolarHBondContact O-CG2 3.41Å
330	I	96.9	Very high	93.7	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	29%	0.294	C	S	.	.			trans	-83.8	128.9	177.3	-54.1	-50.4	0	0	0	109.9	I95 Q99 V326 I327 T334 V335 W338 L434 M448	I95-I330 VanDerWaalsContact CG2-O 3.28Å; I95-I330 WeakPolarHBondContact CG2-O 3.34Å; Q99-I330 PolarHBondContact NE2-O 2.98Å; V326-I330 HydrophobicContact CG1-CD1 3.99Å; V326-I330 HydrophobicContact CG1-CG1 4.41Å; I327-I330 PolarHBondContact O-N 2.96Å; I327-I330 VanDerWaalsContact O-N 3.11Å; I330-T334 WeakPolarHBondContact CA-OG1 3.42Å; I330-V335 HydrophobicContact CG2-CG2 4.21Å; I330-W338 HydrophobicContact CD1-CH2 4.45Å; I330-W338 HydrophobicContact CD1-CZ2 3.77Å; I330-L434 HydrophobicContact CG1-CD2 3.78Å; I330-L434 HydrophobicContact CG2-CD2 4.33Å; I330-M448 HydrophobicContact CB-CE 4.28Å; I330-M448 HydrophobicContact CG2-CE 3.88Å
331	S	96.3	Very high	94.2	Very high	34 Å²	34	44.8 Å²	44.8	24%	0.238	27%	0.27	C	S	.	.			trans	-145.3	170.2	172.3	65.6	0	0	0	0	109.8	A333 T334 V335	S331-A333 PolarHBondContact O-N 3.32Å; S331-T334 PolarHBondContact N-OG1 3.14Å; S331-T334 PolarHBondContact O-N 3.13Å; S331-T334 PolarHBondContact O-OG1 3.48Å; S331-T334 PolarHBondContact OG-N 3.04Å; S331-V335 WeakPolarHBondContact O-CG2 3.38Å; S331-V335 PolarHBondContact O-N 2.77Å
332	T	94.9	Very high	94.4	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-35.9	174.5	51.1	0	0	0	0	112.9	E88 D92 I95 T334 V335 Q336 I445	E88-T332 HydrophobicContact CB-CG2 4.36Å; E88-T332 WeakPolarHBondContact O-CG2 3.41Å; D92-T332 HydrophobicContact CB-CG2 4.02Å; D92-T332 PolarHBondContact OD1-N 3.07Å; D92-T332 PolarHBondContact OD1-OG1 2.95Å; I95-T332 HydrophobicContact CD1-CG2 3.85Å; T332-T334 PolarHBondContact O-N 3.31Å; T332-V335 PolarHBondContact O-N 3.35Å; T332-Q336 WeakPolarHBondContact O-CB 3.05Å; T332-Q336 PolarHBondContact O-N 2.97Å; T332-I445 HydrophobicContact CG2-CD1 4.16Å
333	A	94.1	Very high	94.4	Very high	67 Å²	67	45.2 Å²	45.2	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-64.5	-38.3	175.3	0	0	0	0	0	112.5	S331 Q336 S337	S331-A333 PolarHBondContact O-N 3.32Å; A333-Q336 PolarHBondContact O-N 3.27Å; A333-S337 PolarHBondContact O-N 3.21Å
334	T	95.5	Very high	94.3	Very high	32 Å²	32	51.5 Å²	51.5	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-39.3	174.4	62.5	0	0	0	0	112.4	H329 I330 S331 T332 Q336 S337 W338	H329-T334 WeakPolarHBondContact O-CG2 3.41Å; I330-T334 WeakPolarHBondContact CA-OG1 3.42Å; S331-T334 PolarHBondContact N-OG1 3.14Å; S331-T334 PolarHBondContact O-N 3.13Å; S331-T334 PolarHBondContact O-OG1 3.48Å; S331-T334 PolarHBondContact OG-N 3.04Å; T332-T334 PolarHBondContact O-N 3.31Å; T334-Q336 VanDerWaalsContact C-N 3.29Å; T334-Q336 PolarHBondContact O-N 3.44Å; T334-S337 PolarHBondContact O-N 3.04Å; T334-S337 VanDerWaalsContact O-N 3.09Å; T334-S337 PolarHBondContact O-OG 2.96Å; T334-W338 PolarHBondContact O-N 2.87Å; T334-W338 VanDerWaalsContact O-N 3.11Å
335	V	95.7	Very high	94.2	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-39.8	176.4	175.2	0	0	0	0	110.4	L313 I330 S331 T332 S337 W338 L436 I445	L313-V335 HydrophobicContact CD1-CG1 3.72Å; I330-V335 HydrophobicContact CG2-CG2 4.21Å; S331-V335 WeakPolarHBondContact O-CG2 3.38Å; S331-V335 PolarHBondContact O-N 2.77Å; T332-V335 PolarHBondContact O-N 3.35Å; V335-S337 VanDerWaalsContact C-N 3.29Å; V335-S337 PolarHBondContact O-N 3.34Å; V335-W338 HydrophobicContact CB-CE3 4.29Å; V335-W338 HydrophobicContact CB-CZ3 4.44Å; V335-W338 HydrophobicContact CG1-CE3 4.12Å; V335-W338 HydrophobicContact CG1-CZ3 4.31Å; V335-W338 HydrophobicContact CG2-CE3 4.21Å; V335-W338 HydrophobicContact CG2-CH2 4.1Å; V335-W338 HydrophobicContact CG2-CZ3 3.89Å; V335-W338 WeakPolarHBondContact O-CB 3.41Å; V335-W338 PolarHBondContact O-N 2.91Å; V335-L436 HydrophobicContact CG2-CD2 3.67Å; V335-I445 HydrophobicContact CG2-CD1 4.36Å
336	Q	92.7	Very high	94.1	Very high	75 Å²	75	57 Å²	57	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-36.5	173.4	-163.8	87.9	-19.1	0	0	111.9	E88 T332 A333 T334 W338 A339	E88-Q336 PolarHBondContact OE1-OE1 3.27Å; T332-Q336 WeakPolarHBondContact O-CB 3.05Å; T332-Q336 PolarHBondContact O-N 2.97Å; A333-Q336 PolarHBondContact O-N 3.27Å; T334-Q336 VanDerWaalsContact C-N 3.29Å; T334-Q336 PolarHBondContact O-N 3.44Å; Q336-W338 VanDerWaalsContact C-N 3.34Å; Q336-A339 PolarHBondContact O-N 3.43Å
337	S	94.2	Very high	94	Very high	47 Å²	47	57 Å²	57	33%	0.329	30%	0.301	S	S	.	.	H	α-helix	trans	-71.3	-29.4	179.3	81.6	0	0	0	0	112.4	A333 T334 V335 A339 K340 L341	A333-S337 PolarHBondContact O-N 3.21Å; T334-S337 PolarHBondContact O-N 3.04Å; T334-S337 VanDerWaalsContact O-N 3.09Å; T334-S337 PolarHBondContact O-OG 2.96Å; V335-S337 VanDerWaalsContact C-N 3.29Å; V335-S337 PolarHBondContact O-N 3.34Å; S337-A339 PolarHBondContact O-N 3.22Å; S337-K340 WeakPolarHBondContact O-CB 3.49Å; S337-K340 PolarHBondContact O-N 2.81Å; S337-L341 PolarHBondContact O-N 2.96Å
338	W	95.4	Very high	93.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-38.7	175.1	-61.8	-17.4	0	0	0	112.5	Y298 V300 L313 A315 I330 T334 V335 Q336 K340 L341 M342 L436	Y298-W338 AromaticContact CE2-CE2 3.99Å; Y298-W338 AromaticContact CE2-CZ2 3.88Å; Y298-W338 HydrophobicContact CE2-CZ2 3.88Å; Y298-W338 AromaticContact CE2-NE1 3.69Å; Y298-W338 AromaticContact CZ-NE1 3.86Å; Y298-W338 PolarHBondContact OH-NE1 3.33Å; Y298-W338 VanDerWaalsContact OH-NE1 3.13Å; V300-W338 HydrophobicContact CB-CD2 4.44Å; V300-W338 HydrophobicContact CG1-CB 4.32Å; V300-W338 HydrophobicContact CG1-CD2 3.75Å; V300-W338 HydrophobicContact CG1-CE3 3.64Å; V300-W338 HydrophobicContact CG1-CG 4.08Å; V300-W338 HydrophobicContact CG1-CZ3 4.14Å; V300-W338 HydrophobicContact CG2-CD2 4Å; V300-W338 HydrophobicContact CG2-CG 4.18Å; V300-W338 HydrophobicContact CG2-CZ2 4.22Å; L313-W338 HydrophobicContact CB-CE3 4.32Å; L313-W338 HydrophobicContact CB-CZ3 3.96Å; L313-W338 HydrophobicContact CD1-CE3 3.96Å; L313-W338 HydrophobicContact CD1-CZ3 4.04Å; L313-W338 HydrophobicContact CD2-CE3 4.38Å; L313-W338 HydrophobicContact CG-CE3 4.46Å; A315-W338 HydrophobicContact CB-CH2 4.19Å; A315-W338 HydrophobicContact CB-CZ2 4.36Å; I330-W338 HydrophobicContact CD1-CH2 4.45Å; I330-W338 HydrophobicContact CD1-CZ2 3.77Å; T334-W338 PolarHBondContact O-N 2.87Å; T334-W338 VanDerWaalsContact O-N 3.11Å; V335-W338 HydrophobicContact CB-CE3 4.29Å; V335-W338 HydrophobicContact CB-CZ3 4.44Å; V335-W338 HydrophobicContact CG1-CE3 4.12Å; V335-W338 HydrophobicContact CG1-CZ3 4.31Å; V335-W338 HydrophobicContact CG2-CE3 4.21Å; V335-W338 HydrophobicContact CG2-CH2 4.1Å; V335-W338 HydrophobicContact CG2-CZ3 3.89Å; V335-W338 WeakPolarHBondContact O-CB 3.41Å; V335-W338 PolarHBondContact O-N 2.91Å; Q336-W338 VanDerWaalsContact C-N 3.34Å; W338-K340 PolarHBondContact O-N 3.13Å; W338-K340 VanDerWaalsContact O-N 3.1Å; W338-L341 PolarHBondContact O-N 2.92Å; W338-M342 HydrophobicContact CB-CE 4.13Å; W338-M342 VanDerWaalsContact O-CG 3.3Å; W338-M342 WeakPolarHBondContact O-CG 3.29Å; W338-M342 PolarHBondContact O-N 2.92Å; W338-L436 HydrophobicContact CH2-CD1 3.76Å; W338-L436 HydrophobicContact CZ3-CD1 3.82Å
339	A	87.7	Confident	94	Very high	68 Å²	68	58.1 Å²	58.1	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-58.7	-25.4	177.3	0	0	0	0	0	113.2	Q336 S337	Q336-A339 PolarHBondContact O-N 3.43Å; S337-A339 PolarHBondContact O-N 3.22Å
340	K	90.3	Very high	94	Very high	172 Å²	172	55.8 Å²	55.8	75%	0.748	29%	0.287	S	S	*	.	H	α-helix	trans	-86.1	-24	176.1	-57.7	-178.5	-179.7	-178.3	0	113	S337 W338	S337-K340 WeakPolarHBondContact O-CB 3.49Å; S337-K340 PolarHBondContact O-N 2.81Å; W338-K340 PolarHBondContact O-N 3.13Å; W338-K340 VanDerWaalsContact O-N 3.1Å
341	L	92.9	Very high	94	Very high	78 Å²	78	55.8 Å²	55.8	41%	0.408	29%	0.287	S	S	.	.	H	α-helix	trans	-92.5	-23.3	-176.6	-63.9	173.7	0	0	0	113	A290 S337 W338	A290-L341 HydrophobicContact CB-CD1 4.14Å; S337-L341 PolarHBondContact O-N 2.96Å; W338-L341 PolarHBondContact O-N 2.92Å
342	M	94.8	Very high	94	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.074	28%	0.276	C	S	.	.			trans	-86.7	142.4	-177.8	-64.9	-174.7	-64.8	0	0	111.6	N286 L287 V300 E302 L313 W338	N286-M342 HydrophobicContact CB-CB 3.95Å; N286-M342 HydrophobicContact CB-SD 4.35Å; L287-M342 WeakPolarHBondContact O-CA 3.2Å; V300-M342 HydrophobicContact CB-SD 4.31Å; V300-M342 HydrophobicContact CG1-SD 3.8Å; E302-M342 HydrophobicContact CB-CE 4.07Å; E302-M342 HydrophobicContact CB-SD 4.1Å; L313-M342 HydrophobicContact CD2-CE 3.85Å; L313-M342 HydrophobicContact CD2-SD 4.38Å; W338-M342 HydrophobicContact CB-CE 4.13Å; W338-M342 VanDerWaalsContact O-CG 3.3Å; W338-M342 WeakPolarHBondContact O-CG 3.29Å; W338-M342 PolarHBondContact O-N 2.92Å
343	H	93.3	Very high	94	Very high	111 Å²	111	57.5 Å²	57.5	51%	0.514	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.3	174.4	-57.1	-68.6	0	0	0	110.2	N286 L287 R345	N286-H343 WeakPolarHBondContact CA-O 3.35Å; L287-H343 PolarHBondContact N-O 3.3Å; L287-H343 PolarHBondContact O-N 3.44Å; H343-R345 PolarHBondContact O-N 3.43Å
344	M	92.9	Very high	93.9	Very high	139 Å²	139	55 Å²	55	69%	0.685	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	119.8	175.6	-68.5	-175.8	75	0	0	110.3	I284 F285 N286	I284-M344 HydrophobicContact CG2-CB 3.83Å; I284-M344 HydrophobicContact CG2-CE 3.7Å; I284-M344 HydrophobicContact CG2-CG 4.48Å; F285-M344 CarbonylContact O-C 3.6Å; F285-M344 WeakPolarHBondContact O-CA 3.44Å; N286-M344 WeakPolarHBondContact OD1-CG 3.46Å; N286-M344 PolarHBondContact OD1-N 3.11Å
345	R	91.6	Very high	93.6	Very high	139 Å²	139	56.8 Å²	56.8	53%	0.525	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.9	178.2	-66.5	-175.3	-176.8	-144.1	0.5	110.3	I284 F285 H343 V347	I284-R345 WeakPolarHBondContact CA-O 3.5Å; F285-R345 PolarHBondContact N-O 3.25Å; F285-R345 PolarHBondContact O-N 2.79Å; H343-R345 PolarHBondContact O-N 3.43Å; R345-V347 HydrophobicContact CB-CG1 4.09Å; R345-V347 PolarHBondContact O-N 3.02Å
346	K	92.6	Very high	93.1	Very high	79 Å²	79	57 Å²	57	34%	0.343	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.9	169.9	-170.6	177.3	-175.4	176.2	0	108.7	L282 S283 I284 P424	L282-K346 HydrophobicContact CD1-CG 4.09Å; S283-K346 CarbonylContact O-C 3.54Å; S283-K346 WeakPolarHBondContact O-CA 3.18Å; I284-K346 HydrophobicContact CG1-CB 4.33Å; K346-P424 HydrophobicContact CD-CG 4.14Å; K346-P424 HydrophobicContact CG-CB 4.38Å; K346-P424 HydrophobicContact CG-CG 4.22Å
347	V	92.9	Very high	92.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.5	-175.2	-58.5	0	0	0	0	111.4	S283 F285 L287 I301 R345 P425 V427	S283-V347 PolarHBondContact N-O 3.43Å; S283-V347 PolarHBondContact O-N 3.09Å; F285-V347 HydrophobicContact CB-CG2 4.3Å; F285-V347 HydrophobicContact CD2-CG2 3.58Å; F285-V347 HydrophobicContact CE2-CG2 4.45Å; F285-V347 HydrophobicContact CG-CG2 4.41Å; L287-V347 HydrophobicContact CD2-CG1 4.03Å; I301-V347 HydrophobicContact CD1-CG2 4.36Å; R345-V347 HydrophobicContact CB-CG1 4.09Å; R345-V347 PolarHBondContact O-N 3.02Å; V347-P425 HydrophobicContact CG1-CG 4.26Å; V347-V427 HydrophobicContact CB-CG2 4.23Å; V347-V427 HydrophobicContact CG1-CG2 4.27Å
348	R	95.4	Very high	92.5	Very high	82 Å²	82	55.8 Å²	55.8	31%	0.309	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.8	164.6	-70.1	-176	176	147.2	-2.6	108.2	L282 S423 P425 W426 V427	L282-R348 HydrophobicContact CB-CG 4.39Å; L282-R348 HydrophobicContact CD1-CG 3.58Å; R348-S423 PolarHBondContact NH1-OG 3.48Å; R348-P425 PolarHBondContact N-O 2.81Å; R348-W426 HydrophobicContact CB-CD2 3.72Å; R348-W426 HydrophobicContact CB-CE3 3.34Å; R348-W426 HydrophobicContact CB-CG 4.38Å; R348-W426 HydrophobicContact CB-CH2 4.23Å; R348-W426 HydrophobicContact CB-CZ3 3.61Å; R348-W426 VanDerWaalsContact CD-CZ2 3.43Å; R348-W426 HydrophobicContact CG-CD2 4.5Å; R348-W426 HydrophobicContact CG-CE3 4.35Å; R348-W426 HydrophobicContact CG-CZ3 4.33Å; R348-W426 WeakPolarHBondContact O-CA 3.19Å; R348-V427 PolarHBondContact O-N 3.35Å
349	L	97	Very high	92.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.6	-176	-178.4	58.7	0	0	0	110.2	F256 S280 Q281 F285 I301 L303 I351 V427	F256-L349 HydrophobicContact CZ-CD2 4.2Å; S280-L349 VanDerWaalsContact CA-O 3.28Å; S280-L349 WeakPolarHBondContact CA-O 3.43Å; S280-L349 PolarHBondContact OG-O 3.46Å; Q281-L349 PolarHBondContact N-O 3.41Å; Q281-L349 VanDerWaalsContact N-O 3.15Å; Q281-L349 PolarHBondContact O-N 2.89Å; F285-L349 HydrophobicContact CD2-CD2 4.23Å; F285-L349 HydrophobicContact CE2-CB 4.19Å; F285-L349 HydrophobicContact CE2-CD2 3.79Å; F285-L349 HydrophobicContact CZ-CD2 4.01Å; I301-L349 HydrophobicContact CD1-CD1 3.68Å; I301-L349 HydrophobicContact CD1-CD2 3.94Å; I301-L349 HydrophobicContact CD1-CG 4.36Å; L303-L349 HydrophobicContact CD1-CD2 4.23Å; L303-L349 HydrophobicContact CD2-CD2 3.83Å; L303-L349 HydrophobicContact CG-CD2 4.09Å; L349-I351 HydrophobicContact CD1-CG2 3.7Å; L349-I351 HydrophobicContact CD2-CG2 4.16Å; L349-I351 HydrophobicContact CG-CG2 3.86Å; L349-V427 CarbonylContact C-O 3.43Å; L349-V427 WeakPolarHBondContact CA-O 3.33Å; L349-V427 HydrophobicContact CD1-CB 4Å; L349-V427 HydrophobicContact CD1-CG1 3.87Å; L349-V427 WeakPolarHBondContact CD1-O 3.45Å
350	L	97.3	Very high	92.3	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.6	161.4	-67.5	85	0	0	0	109.7	R264 M278 M279 W426 V427 T428 V429	R264-L350 VanDerWaalsContact NE-CD2 3.32Å; M278-L350 HydrophobicContact CB-CD2 4.49Å; M279-L350 VanDerWaalsContact O-CA 3.29Å; M279-L350 WeakPolarHBondContact O-CA 3.38Å; L350-W426 HydrophobicContact CD1-CD2 4.47Å; L350-W426 HydrophobicContact CD1-CE3 3.21Å; L350-W426 HydrophobicContact CD1-CZ3 3.27Å; L350-W426 HydrophobicContact CG-CZ3 4.45Å; L350-V427 PolarHBondContact N-O 2.88Å; L350-T428 HydrophobicContact CB-CG2 4.11Å; L350-T428 HydrophobicContact CD2-CG2 4.49Å; L350-V429 WeakPolarHBondContact O-CG2 3.48Å; L350-V429 PolarHBondContact O-N 3.41Å
351	I	97.3	Very high	92.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.7	173.2	63.2	171.4	0	0	0	110.4	F256 M278 M279 L303 I314 L349 V429	F256-I351 HydrophobicContact CE1-CD1 4.26Å; F256-I351 HydrophobicContact CE1-CG1 3.99Å; F256-I351 HydrophobicContact CE2-CD1 3.81Å; F256-I351 HydrophobicContact CE2-CG1 4.38Å; F256-I351 HydrophobicContact CZ-CD1 3.41Å; F256-I351 VanDerWaalsContact CZ-CD1 3.41Å; F256-I351 HydrophobicContact CZ-CG1 3.66Å; M278-I351 CarbonylContact C-O 3.57Å; M278-I351 VanDerWaalsContact SD-C 3.56Å; M279-I351 HydrophobicContact CB-CG1 4.38Å; M279-I351 HydrophobicContact CE-CD1 3.59Å; M279-I351 HydrophobicContact CE-CG1 3.61Å; M279-I351 PolarHBondContact N-O 2.83Å; M279-I351 PolarHBondContact O-N 3.3Å; M279-I351 VanDerWaalsContact O-N 3.11Å; L303-I351 HydrophobicContact CD2-CD1 3.84Å; I314-I351 HydrophobicContact CD1-CG2 3.98Å; L349-I351 HydrophobicContact CD1-CG2 3.7Å; L349-I351 HydrophobicContact CD2-CG2 4.16Å; L349-I351 HydrophobicContact CG-CG2 3.86Å; I351-V429 HydrophobicContact CG2-CB 4.31Å; I351-V429 HydrophobicContact CG2-CG2 3.73Å
352	P	96.6	Very high	92.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	143.4	173.1	-20.4	31.6	0	0	0	111.3	F266 M278 F354 V429 F433 P454	F266-P352 HydrophobicContact CD2-CG 4.08Å; F266-P352 HydrophobicContact CE2-CG 4.02Å; M278-P352 HydrophobicContact CE-CG 3.96Å; M278-P352 HydrophobicContact SD-CB 4.24Å; M278-P352 HydrophobicContact SD-CG 3.79Å; M278-P352 VanDerWaalsContact SD-N 3.44Å; P352-F354 HydrophobicContact CB-CD1 4.38Å; P352-F354 WeakPolarHBondContact O-CD1 3.27Å; P352-V429 WeakPolarHBondContact CD-O 3.28Å; P352-V429 WeakPolarHBondContact CG-O 3.29Å; P352-F433 HydrophobicContact CG-CE1 3.98Å; P352-F433 HydrophobicContact CG-CZ 4.42Å; P352-P454 HydrophobicContact CB-CB 3.48Å; P352-P454 VanDerWaalsContact CB-CB 3.48Å; P352-P454 HydrophobicContact CB-CG 3.75Å; P352-P454 HydrophobicContact CG-CB 3.98Å; P352-P454 HydrophobicContact CG-CG 3.83Å
353	K	94.8	Very high	92.6	Very high	86 Å²	86	49.8 Å²	49.8	37%	0.374	24%	0.238	S	C	.	.			trans	-84.2	122.6	160.9	177.4	174.5	-177.1	162.8	0	107.7	S277 M279 V403 E405	S277-K353 PolarHBondContact O-N 3.48Å; M279-K353 HydrophobicContact CG-CB 3.84Å; M279-K353 HydrophobicContact SD-CB 3.98Å; M279-K353 HydrophobicContact SD-CG 4.35Å; K353-V403 WeakPolarHBondContact CG-O 3.32Å; K353-E405 VanDerWaalsContact CE-OE2 3.31Å; K353-E405 WeakPolarHBondContact CE-OE2 3.35Å; K353-E405 IonicContact NZ-OE1 3.38Å; K353-E405 PolarHBondContact NZ-OE1 3.19Å; K353-E405 IonicContact NZ-OE2 2.76Å; K353-E405 PolarHBondContact NZ-OE2 2.89Å
354	F	91.6	Very high	92.7	Very high	14 Å²	14	48 Å²	48	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	163.3	-177.4	68.2	-87.4	0	0	0	111.9	P352 V403 F433 F435 I451 P454	P352-F354 HydrophobicContact CB-CD1 4.38Å; P352-F354 WeakPolarHBondContact O-CD1 3.27Å; F354-V403 HydrophobicContact CD1-CB 3.94Å; F354-V403 HydrophobicContact CD1-CG1 4.06Å; F354-V403 HydrophobicContact CD1-CG2 4.4Å; F354-V403 HydrophobicContact CE1-CB 3.78Å; F354-V403 HydrophobicContact CE1-CG1 3.81Å; F354-V403 HydrophobicContact CE1-CG2 3.8Å; F354-V403 HydrophobicContact CE2-CB 4.41Å; F354-V403 HydrophobicContact CE2-CG2 3.98Å; F354-V403 HydrophobicContact CG-CB 4.33Å; F354-V403 HydrophobicContact CZ-CB 4.04Å; F354-V403 HydrophobicContact CZ-CG1 4.46Å; F354-V403 HydrophobicContact CZ-CG2 3.57Å; F354-V403 PolarHBondContact N-O 3.42Å; F354-V403 VanDerWaalsContact N-O 3.15Å; F354-V403 WeakPolarHBondContact O-CA 3.4Å; F354-V403 PolarHBondContact O-N 3.45Å; F354-V403 VanDerWaalsContact O-O 3.08Å; F354-F433 HydrophobicContact CD1-CZ 4.35Å; F354-F433 HydrophobicContact CE1-CE2 4.22Å; F354-F433 AromaticContact CE1-CZ 3.82Å; F354-F433 HydrophobicContact CE1-CZ 3.82Å; F354-F433 HydrophobicContact CZ-CE2 4.4Å; F354-F433 HydrophobicContact CZ-CZ 4.28Å; F354-F435 HydrophobicContact CE2-CD1 4.5Å; F354-F435 HydrophobicContact CE2-CE1 4.07Å; F354-F435 HydrophobicContact CE2-CZ 4.38Å; F354-F435 HydrophobicContact CZ-CD1 4.13Å; F354-F435 HydrophobicContact CZ-CE1 4.15Å; F354-I451 HydrophobicContact CD2-CD1 4.12Å; F354-I451 HydrophobicContact CE2-CD1 3.92Å; F354-I451 HydrophobicContact CE2-CG1 4.1Å; F354-I451 HydrophobicContact CZ-CG1 4.24Å; F354-P454 HydrophobicContact CB-CB 4.17Å; F354-P454 VanDerWaalsContact CB-OXT 3.24Å; F354-P454 WeakPolarHBondContact CB-OXT 3.19Å
355	S	88.8	Confident	92.8	Very high	70 Å²	70	42 Å²	42	49%	0.49	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.7	167.1	-176.9	0	0	0	0	108.8	I401	S355-I401 WeakPolarHBondContact CA-O 3.2Å; S355-I401 PolarHBondContact OG-O 2.84Å
356	A	85.3	Confident	93.1	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	174.1	0	0	0	0	0	109.5	V111 V358 K400 I401	V111-A356 HydrophobicContact CB-CB 4.11Å; V111-A356 HydrophobicContact CG2-CB 3.48Å; V111-A356 VanDerWaalsContact CG2-CB 3.48Å; A356-V358 HydrophobicContact CB-CG2 4.21Å; A356-K400 WeakPolarHBondContact O-CA 3.09Å; A356-I401 HydrophobicContact CB-CG2 3.79Å; A356-I401 PolarHBondContact N-O 3.42Å; A356-I401 PolarHBondContact O-N 2.84Å
357	D	87	Confident	93.3	Very high	64 Å²	64	33.5 Å²	33.5	34%	0.342	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	85.3	177.5	-167.4	-29.7	0	0	0	107.6	K398 K400	D357-K398 WeakPolarHBondContact OD1-CE 3.37Å; D357-K398 IonicContact OD1-NZ 2.92Å; D357-K398 PolarHBondContact OD1-NZ 3.49Å; D357-K400 HydrophobicContact CB-CG 4.43Å; D357-K400 WeakPolarHBondContact OD2-CD 3.47Å; D357-K400 WeakPolarHBondContact OD2-CE 3.46Å; D357-K400 IonicContact OD2-NZ 2.81Å; D357-K400 PolarHBondContact OD2-NZ 3.5Å
358	V	86.6	Confident	93.4	Very high	33 Å²	33	36.7 Å²	36.7	20%	0.2	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135	-165.2	-177	0	0	0	0	110.5	V111 A356 V360 S399	V111-V358 HydrophobicContact CB-CB 4.31Å; V111-V358 HydrophobicContact CB-CG2 3.99Å; V111-V358 HydrophobicContact CG2-CG2 4.41Å; V111-V358 WeakPolarHBondContact O-CG1 3.48Å; A356-V358 HydrophobicContact CB-CG2 4.21Å; V358-V360 HydrophobicContact CG1-CG2 4.04Å; V358-S399 PolarHBondContact N-O 2.99Å; V358-S399 PolarHBondContact O-N 2.81Å
359	E	89.3	Confident	93.5	Very high	63 Å²	63	35 Å²	35	29%	0.294	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.3	173.6	-171.4	-163.1	119.1	0	0	109.3	M232 Q397 K398	M232-E359 WeakPolarHBondContact CE-OE1 3.37Å; M232-E359 VanDerWaalsContact SD-OE1 3.34Å; E359-Q397 CarbonylContact C-O 3.59Å; E359-Q397 WeakPolarHBondContact CA-O 3.29Å; E359-K398 HydrophobicContact CB-CD 3.75Å; E359-K398 HydrophobicContact CG-CD 4.21Å
360	V	90.6	Very high	93.4	Very high	15 Å²	15	37 Å²	37	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.6	-179.7	-175	0	0	0	0	109.6	V101 L112 V358 L362 Q397	V101-V360 HydrophobicContact CG2-CG1 4.13Å; L112-V360 HydrophobicContact CB-CG2 4.46Å; V358-V360 HydrophobicContact CG1-CG2 4.04Å; V360-L362 HydrophobicContact CB-CD2 4.43Å; V360-L362 HydrophobicContact CG1-CD2 3.92Å; V360-Q397 PolarHBondContact N-O 2.88Å; V360-Q397 PolarHBondContact O-N 3.27Å
361	D	92.8	Very high	93.4	Very high	56 Å²	56	36.9 Å²	36.9	30%	0.299	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	116.2	163.2	-170	-22.4	0	0	0	108.7	K363 K394 L396	D361-K363 VanDerWaalsContact C-N 3.32Å; D361-K363 VanDerWaalsContact OD1-CB 3.25Å; D361-K363 WeakPolarHBondContact OD1-CB 3.02Å; D361-K363 PolarHBondContact OD1-N 3.39Å; D361-K394 IonicContact OD2-NZ 2.95Å; D361-K394 PolarHBondContact OD2-NZ 3.35Å; D361-L396 HydrophobicContact CB-CD2 4.02Å
362	L	95.4	Very high	93.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.244	C	C	.	.			trans	-83.6	-7.5	-175	-59.1	176.3	0	0	0	112.8	V97 V117 I120 V360 A364 P365 L366 A395 Q397	V97-L362 HydrophobicContact CG1-CD2 3.99Å; V117-L362 HydrophobicContact CG2-CD1 4.03Å; V117-L362 HydrophobicContact CG2-CD2 3.85Å; I120-L362 HydrophobicContact CD1-CD1 3.5Å; V360-L362 HydrophobicContact CB-CD2 4.43Å; V360-L362 HydrophobicContact CG1-CD2 3.92Å; L362-A364 PolarHBondContact O-N 3.13Å; L362-P365 WeakPolarHBondContact O-CD 3.35Å; L362-P365 WeakPolarHBondContact O-CG 3.32Å; L362-L366 HydrophobicContact CB-CD1 3.63Å; L362-L366 HydrophobicContact CB-CG 4.15Å; L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 WeakPolarHBondContact O-CD1 3.42Å; L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 3.07Å; L362-A395 HydrophobicContact CB-CB 4.14Å; L362-A395 WeakPolarHBondContact CB-O 3.42Å; L362-A395 PolarHBondContact N-O 3.48Å; L362-Q397 HydrophobicContact CD1-CB 4.12Å; L362-Q397 HydrophobicContact CD2-CB 4.46Å; L362-Q397 HydrophobicContact CG-CB 4.35Å
363	K	95.3	Very high	93.4	Very high	76 Å²	76	40.1 Å²	40.1	33%	0.33	25%	0.251	S	S	.	.	H	α-helix	trans	-57	-55.1	-176.1	177	167.6	175.6	164	0	112.8	D361 S367 F375	D361-K363 VanDerWaalsContact C-N 3.32Å; D361-K363 VanDerWaalsContact OD1-CB 3.25Å; D361-K363 WeakPolarHBondContact OD1-CB 3.02Å; D361-K363 PolarHBondContact OD1-N 3.39Å; K363-S367 VanDerWaalsContact O-CB 3.29Å; K363-S367 WeakPolarHBondContact O-CB 3.47Å; K363-S367 PolarHBondContact O-N 3.47Å; K363-S367 PolarHBondContact O-OG 2.86Å; K363-F375 HydrophobicContact CB-CD1 4.11Å; K363-F375 HydrophobicContact CB-CE1 3.87Å; K363-F375 HydrophobicContact CB-CZ 4.08Å; K363-F375 HydrophobicContact CD-CB 4.23Å; K363-F375 HydrophobicContact CD-CD1 3.96Å; K363-F375 HydrophobicContact CD-CG 4.19Å; K363-F375 HydrophobicContact CG-CB 4.26Å; K363-F375 HydrophobicContact CG-CD1 3.76Å; K363-F375 HydrophobicContact CG-CD2 4.16Å; K363-F375 HydrophobicContact CG-CE1 4.02Å; K363-F375 HydrophobicContact CG-CE2 4.38Å; K363-F375 HydrophobicContact CG-CG 3.83Å; K363-F375 HydrophobicContact CG-CZ 4.31Å
364	A	95.3	Very high	93.5	Very high	74 Å²	74	36 Å²	36	61%	0.612	23%	0.234	S	C	*	.	H	α-helix	trans	-61.1	-52.6	-179.4	0	0	0	0	0	113	L362 L366 S367 A368	L362-A364 PolarHBondContact O-N 3.13Å; A364-L366 PolarHBondContact O-N 3.36Å; A364-S367 PolarHBondContact O-N 2.95Å; A364-A368 PolarHBondContact O-N 3.49Å
365	P	96.4	Very high	93.8	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.078	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-32.3	-178.6	26.6	-36	0	0	0	113.5	V97 Q100 V101 L362 L369	V97-P365 HydrophobicContact CG1-CB 4.03Å; V97-P365 HydrophobicContact CG1-CG 4.08Å; Q100-P365 HydrophobicContact CB-CB 3.85Å; V101-P365 HydrophobicContact CG2-CB 4.07Å; V101-P365 HydrophobicContact CG2-CG 4Å; L362-P365 WeakPolarHBondContact O-CD 3.35Å; L362-P365 WeakPolarHBondContact O-CG 3.32Å; P365-L369 WeakPolarHBondContact O-CG 3.49Å; P365-L369 PolarHBondContact O-N 3.37Å
366	L	97.3	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-40.6	174.9	-71.2	171.3	0	0	0	111.7	V97 V117 L121 L362 A364 A368 L369 G370 I371 M374 F375	V97-L366 HydrophobicContact CG2-CD2 3.7Å; V97-L366 HydrophobicContact CG2-CG 4.37Å; V117-L366 HydrophobicContact CG1-CD2 4.06Å; L121-L366 HydrophobicContact CD1-CD2 4.03Å; L121-L366 HydrophobicContact CD2-CD1 4.28Å; L362-L366 HydrophobicContact CB-CD1 3.63Å; L362-L366 HydrophobicContact CB-CG 4.15Å; L362-L366 WeakPolarHBondContact O-CB 3.41Å; L362-L366 WeakPolarHBondContact O-CD1 3.42Å; L362-L366 WeakPolarHBondContact O-CG 3.33Å; L362-L366 PolarHBondContact O-N 3.07Å; A364-L366 PolarHBondContact O-N 3.36Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 2.99Å; L366-L369 CarbonylContact O-C 3.56Å; L366-L369 PolarHBondContact O-N 2.94Å; L366-G370 PolarHBondContact O-N 2.95Å; L366-I371 CarbonylContact C-O 3.57Å; L366-I371 HydrophobicContact CB-CB 4.34Å; L366-I371 HydrophobicContact CD2-CD1 3.77Å; L366-I371 WeakPolarHBondContact O-CB 3.31Å; L366-I371 PolarHBondContact O-N 3.33Å; L366-M374 HydrophobicContact CD1-CE 3.85Å; L366-F375 HydrophobicContact CB-CE2 3.85Å; L366-F375 HydrophobicContact CB-CZ 4.2Å; L366-F375 HydrophobicContact CD1-CE2 4.37Å; L366-F375 HydrophobicContact CD1-CZ 3.93Å
367	S	96.7	Very high	94.4	Very high	40 Å²	40	40 Å²	40	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-40.4	175.8	-59	0	0	0	0	111.4	K363 A364 L369 G370 I371	K363-S367 VanDerWaalsContact O-CB 3.29Å; K363-S367 WeakPolarHBondContact O-CB 3.47Å; K363-S367 PolarHBondContact O-N 3.47Å; K363-S367 PolarHBondContact O-OG 2.86Å; A364-S367 PolarHBondContact O-N 2.95Å; S367-L369 PolarHBondContact O-N 2.92Å; S367-G370 PolarHBondContact O-N 2.86Å; S367-I371 WeakPolarHBondContact CA-O 3.31Å
368	A	95.8	Very high	94.6	Very high	67 Å²	67	44.5 Å²	44.5	55%	0.554	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.2	174.8	0	0	0	0	0	113.9	A364 L366	A364-A368 PolarHBondContact O-N 3.49Å; L366-A368 VanDerWaalsContact C-N 3.31Å; L366-A368 PolarHBondContact O-N 2.99Å
369	L	95.6	Very high	95.1	Very high	46 Å²	46	44.9 Å²	44.9	24%	0.241	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.6	173.8	-64.1	175.3	0	0	0	112.9	L93 Q96 V97 Q100 P365 L366 S367	L93-L369 HydrophobicContact CD1-CD1 4.04Å; Q96-L369 HydrophobicContact CB-CD1 3.91Å; Q96-L369 HydrophobicContact CB-CD2 4.2Å; V97-L369 HydrophobicContact CG2-CD1 3.55Å; Q100-L369 HydrophobicContact CG-CD2 4.08Å; Q100-L369 HydrophobicContact CG-CG 4.21Å; P365-L369 WeakPolarHBondContact O-CG 3.49Å; P365-L369 PolarHBondContact O-N 3.37Å; L366-L369 CarbonylContact O-C 3.56Å; L366-L369 PolarHBondContact O-N 2.94Å; S367-L369 PolarHBondContact O-N 2.92Å
370	G	95.5	Very high	95.4	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	17.1	178.5	0	0	0	0	0	114.4	Q135 L366 S367	Q135-G370 VanDerWaalsContact CD-O 3.25Å; Q135-G370 WeakPolarHBondContact CG-O 3.29Å; Q135-G370 PolarHBondContact OE1-O 3.19Å; L366-G370 PolarHBondContact O-N 2.95Å; S367-G370 PolarHBondContact O-N 2.86Å
371	I	96.9	Very high	95.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	28%	0.279	C	S	.	.			trans	-105.5	76.2	173.8	-47	165.8	0	0	0	107.3	L93 L121 I136 A139 L366 S367 M374 F375	L93-I371 HydrophobicContact CD1-CD1 4.46Å; L121-I371 HydrophobicContact CD1-CD1 3.91Å; L121-I371 HydrophobicContact CD2-CG2 4.23Å; I136-I371 HydrophobicContact CG1-CG2 4.22Å; A139-I371 HydrophobicContact CB-CD1 3.43Å; A139-I371 VanDerWaalsContact CB-CD1 3.43Å; A139-I371 HydrophobicContact CB-CG1 3.85Å; L366-I371 CarbonylContact C-O 3.57Å; L366-I371 HydrophobicContact CB-CB 4.34Å; L366-I371 HydrophobicContact CD2-CD1 3.77Å; L366-I371 WeakPolarHBondContact O-CB 3.31Å; L366-I371 PolarHBondContact O-N 3.33Å; S367-I371 WeakPolarHBondContact CA-O 3.31Å; I371-M374 HydrophobicContact CG2-CE 3.8Å; I371-M374 HydrophobicContact CG2-CG 4.22Å; I371-M374 HydrophobicContact CG2-SD 3.7Å; I371-F375 WeakPolarHBondContact O-CD2 3.48Å; I371-F375 WeakPolarHBondContact O-CE2 3.42Å
372	A	96.9	Very high	95.8	Very high	40 Å²	40	41.8 Å²	41.8	33%	0.331	27%	0.266	S	S	.	.			trans	-112.4	-35.8	-169.6	0	0	0	0	0	112.6	M374 F375	A372-M374 VanDerWaalsContact C-N 3.26Å; A372-M374 PolarHBondContact O-N 3.22Å; A372-F375 PolarHBondContact O-N 2.93Å
373	D	97.9	Very high	95.6	Very high	32 Å²	32	46 Å²	46	17%	0.171	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.9	-40.3	-171.5	-67.5	13	0	0	0	111.4	E131 T132 Q135 F375 S376 A379 A380	E131-D373 WeakPolarHBondContact CB-OD2 3.5Å; E131-D373 WeakPolarHBondContact CG-OD2 3.41Å; T132-D373 WeakPolarHBondContact OG1-CB 3.5Å; Q135-D373 PolarHBondContact NE2-OD1 2.98Å; Q135-D373 PolarHBondContact NE2-OD2 3.27Å; Q135-D373 VanDerWaalsContact NE2-OD2 3.14Å; Q135-D373 VanDerWaalsContact OE1-N 3.12Å; D373-F375 PolarHBondContact O-N 3.4Å; D373-S376 WeakPolarHBondContact O-CB 3.27Å; D373-S376 PolarHBondContact O-N 3.05Å; D373-A379 HydrophobicContact CB-CB 4.18Å; D373-A380 WeakPolarHBondContact O-CA 3.44Å; D373-A380 VanDerWaalsContact O-CB 3.28Å; D373-A380 WeakPolarHBondContact O-CB 3.37Å; D373-A380 PolarHBondContact O-N 3.1Å
374	M	96.9	Very high	95.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-60	-19.5	179.2	70.4	-177.2	-163.3	0	0	114.4	L121 L124 T132 I136 L366 I371 A372 F382 V392	L121-M374 HydrophobicContact CD2-CE 3.53Å; L121-M374 HydrophobicContact CD2-SD 3.84Å; L124-M374 HydrophobicContact CD1-CE 4.45Å; L124-M374 HydrophobicContact CD1-SD 4.02Å; T132-M374 HydrophobicContact CG2-CB 3.76Å; I136-M374 HydrophobicContact CD1-SD 4.09Å; I136-M374 HydrophobicContact CG1-SD 4.28Å; L366-M374 HydrophobicContact CD1-CE 3.85Å; I371-M374 HydrophobicContact CG2-CE 3.8Å; I371-M374 HydrophobicContact CG2-CG 4.22Å; I371-M374 HydrophobicContact CG2-SD 3.7Å; A372-M374 VanDerWaalsContact C-N 3.26Å; A372-M374 PolarHBondContact O-N 3.22Å; M374-F382 HydrophobicContact CB-CE2 3.75Å; M374-F382 HydrophobicContact CB-CZ 3.77Å; M374-V392 HydrophobicContact CB-CG2 4.33Å; M374-V392 WeakPolarHBondContact O-CB 3.3Å; M374-V392 PolarHBondContact O-N 2.87Å
375	F	96.9	Very high	95	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.044	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-100.2	-2.9	178.6	-59.8	-69.8	0	0	0	113.6	K363 L366 I371 A372 D373 V392 A395	K363-F375 HydrophobicContact CB-CD1 4.11Å; K363-F375 HydrophobicContact CB-CE1 3.87Å; K363-F375 HydrophobicContact CB-CZ 4.08Å; K363-F375 HydrophobicContact CD-CB 4.23Å; K363-F375 HydrophobicContact CD-CD1 3.96Å; K363-F375 HydrophobicContact CD-CG 4.19Å; K363-F375 HydrophobicContact CG-CB 4.26Å; K363-F375 HydrophobicContact CG-CD1 3.76Å; K363-F375 HydrophobicContact CG-CD2 4.16Å; K363-F375 HydrophobicContact CG-CE1 4.02Å; K363-F375 HydrophobicContact CG-CE2 4.38Å; K363-F375 HydrophobicContact CG-CG 3.83Å; K363-F375 HydrophobicContact CG-CZ 4.31Å; L366-F375 HydrophobicContact CB-CE2 3.85Å; L366-F375 HydrophobicContact CB-CZ 4.2Å; L366-F375 HydrophobicContact CD1-CE2 4.37Å; L366-F375 HydrophobicContact CD1-CZ 3.93Å; I371-F375 WeakPolarHBondContact O-CD2 3.48Å; I371-F375 WeakPolarHBondContact O-CE2 3.42Å; A372-F375 PolarHBondContact O-N 2.93Å; D373-F375 PolarHBondContact O-N 3.4Å; F375-V392 HydrophobicContact CD1-CB 3.97Å; F375-V392 HydrophobicContact CD1-CG1 4.01Å; F375-V392 WeakPolarHBondContact CD1-O 3.39Å; F375-V392 HydrophobicContact CE1-CB 4.2Å; F375-V392 HydrophobicContact CE1-CG1 3.81Å; F375-A395 HydrophobicContact CE1-CB 3.84Å; F375-A395 HydrophobicContact CZ-CB 4.14Å
376	S	95.1	Very high	94.5	Very high	42 Å²	42	43.4 Å²	43.4	29%	0.294	27%	0.267	S	S	.	.			trans	-97.5	132.7	-178.4	177.6	0	0	0	0	110.3	D373 D378 A379 A380 Y391	D373-S376 WeakPolarHBondContact O-CB 3.27Å; D373-S376 PolarHBondContact O-N 3.05Å; S376-D378 PolarHBondContact O-N 3.08Å; S376-D378 PolarHBondContact OG-N 3.47Å; S376-A379 PolarHBondContact OG-N 2.92Å; S376-A380 WeakPolarHBondContact O-CB 3.32Å; S376-A380 PolarHBondContact O-N 3.22Å; S376-A380 VanDerWaalsContact O-N 3.07Å; S376-Y391 WeakPolarHBondContact O-CB 3.47Å
377	Q	91.8	Very high	94	Very high	126 Å²	126	48.5 Å²	48.5	59%	0.589	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.1	176.5	-176.7	170.2	-25.8	0	0	112.4	Y391	Q377-Y391 HydrophobicContact CB-CD1 3.89Å; Q377-Y391 HydrophobicContact CB-CE1 3.84Å; Q377-Y391 HydrophobicContact CB-CG 4.46Å; Q377-Y391 HydrophobicContact CG-CD1 4.01Å; Q377-Y391 HydrophobicContact CG-CE1 3.84Å
378	D	92.6	Very high	93.4	Very high	158 Å²	158	51.3 Å²	51.3	85%	0.845	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-21.9	-173.9	-55.3	-42.4	0	0	0	113.4	S376	S376-D378 PolarHBondContact O-N 3.08Å; S376-D378 PolarHBondContact OG-N 3.47Å
379	A	95.9	Very high	93	Very high	42 Å²	42	53.4 Å²	53.4	35%	0.347	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-16.3	-173.6	0	0	0	0	0	114.2	T132 D373 S376 D381	T132-A379 PolarHBondContact OG1-O 3.03Å; D373-A379 HydrophobicContact CB-CB 4.18Å; S376-A379 PolarHBondContact OG-N 2.92Å; A379-D381 PolarHBondContact O-N 3.36Å
380	A	96.6	Very high	92.9	Very high	20 Å²	20	51.6 Å²	51.6	17%	0.165	31%	0.306	C	S	.	.			trans	-64.6	123.8	179.9	0	0	0	0	0	110.7	D373 S376 F382	D373-A380 WeakPolarHBondContact O-CA 3.44Å; D373-A380 VanDerWaalsContact O-CB 3.28Å; D373-A380 WeakPolarHBondContact O-CB 3.37Å; D373-A380 PolarHBondContact O-N 3.1Å; S376-A380 WeakPolarHBondContact O-CB 3.32Å; S376-A380 PolarHBondContact O-N 3.22Å; S376-A380 VanDerWaalsContact O-N 3.07Å; A380-F382 HydrophobicContact CB-CD2 4.06Å; A380-F382 HydrophobicContact CB-CE2 4.28Å
381	D	95.8	Very high	92.8	Very high	43 Å²	43	50.7 Å²	50.7	23%	0.23	29%	0.289	C	S	.	.			trans	-112.4	95.8	175.2	-175	-0.5	0	0	0	109.7	A128 Q129 G130 T132 A379 T383	A128-D381 CarbonylContact C-O 3.53Å; A128-D381 WeakPolarHBondContact CA-O 3.36Å; Q129-D381 HydrophobicContact CB-CB 4.41Å; Q129-D381 VanDerWaalsContact CB-CG 3.41Å; Q129-D381 WeakPolarHBondContact CB-OD1 3.27Å; Q129-D381 WeakPolarHBondContact CB-OD2 3.41Å; Q129-D381 PolarHBondContact N-O 3.46Å; G130-D381 PolarHBondContact N-OD2 2.9Å; T132-D381 PolarHBondContact OG1-N 3.46Å; A379-D381 PolarHBondContact O-N 3.36Å; D381-T383 VanDerWaalsContact OD1-CG2 3.25Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.27Å; D381-T383 PolarHBondContact OD1-N 3.19Å; D381-T383 PolarHBondContact OD1-OG1 3.09Å
382	F	94.2	Very high	92.8	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.022	29%	0.289	C	S	.	.			trans	-118.7	34	176.5	-76.9	-70.7	0	0	0	112.1	L124 G127 A128 T132 M374 A380 H384 L385 S386 V390 V392	L124-F382 HydrophobicContact CB-CE1 4.01Å; L124-F382 HydrophobicContact CB-CZ 4.29Å; L124-F382 HydrophobicContact CD2-CE1 4.02Å; L124-F382 HydrophobicContact CD2-CZ 4.07Å; G127-F382 CarbonylContact O-C 3.51Å; G127-F382 VanDerWaalsContact O-CA 3.31Å; G127-F382 WeakPolarHBondContact O-CA 3.35Å; A128-F382 HydrophobicContact CB-CD1 4.25Å; A128-F382 HydrophobicContact CB-CE1 3.9Å; T132-F382 HydrophobicContact CG2-CE2 4.27Å; T132-F382 HydrophobicContact CG2-CZ 4.14Å; M374-F382 HydrophobicContact CB-CE2 3.75Å; M374-F382 HydrophobicContact CB-CZ 3.77Å; A380-F382 HydrophobicContact CB-CD2 4.06Å; A380-F382 HydrophobicContact CB-CE2 4.28Å; F382-H384 PolarHBondContact O-N 3.03Å; F382-L385 HydrophobicContact CB-CB 3.98Å; F382-L385 HydrophobicContact CD1-CB 4.39Å; F382-L385 HydrophobicContact CD1-CD1 4.07Å; F382-L385 WeakPolarHBondContact O-CA 3.46Å; F382-L385 VanDerWaalsContact O-CB 3.27Å; F382-L385 WeakPolarHBondContact O-CB 3.41Å; F382-L385 PolarHBondContact O-N 3.18Å; F382-S386 PolarHBondContact O-N 3.23Å; F382-V390 HydrophobicContact CB-CG1 3.58Å; F382-V390 WeakPolarHBondContact CD2-O 3.38Å; F382-V390 HydrophobicContact CG-CG1 4.43Å; F382-V392 HydrophobicContact CE2-CG2 3.82Å; F382-V392 HydrophobicContact CZ-CG2 3.82Å
383	T	91.4	Very high	92.7	Very high	90 Å²	90	49.3 Å²	49.3	55%	0.552	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.5	-179	47.3	0	0	0	0	114.8	D381	D381-T383 VanDerWaalsContact OD1-CG2 3.25Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.27Å; D381-T383 PolarHBondContact OD1-N 3.19Å; D381-T383 PolarHBondContact OD1-OG1 3.09Å
384	H	89.7	Confident	92.5	Very high	102 Å²	102	50.2 Å²	50.2	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-5	172.6	-81.1	-149.9	0	0	0	113.6	G127 Q129 F382	G127-H384 WeakPolarHBondContact O-CB 3.31Å; G127-H384 PolarHBondContact O-N 3.28Å; Q129-H384 HydrophobicContact CG-CB 4.45Å; Q129-H384 PolarHBondContact NE2-CD2 3.09Å; Q129-H384 PolarHBondContact NE2-CE1 2.95Å; Q129-H384 PolarHBondContact NE2-ND1 3.28Å; Q129-H384 VanDerWaalsContact NE2-ND1 3.17Å; Q129-H384 PolarHBondContact NE2-NE2 3.06Å; F382-H384 PolarHBondContact O-N 3.03Å
385	L	88.8	Confident	92.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-43.5	175.3	-171.1	153	0	0	0	110.7	M181 E182 F185 L240 F382 V390	M181-L385 CarbonylContact C-O 3.48Å; M181-L385 VanDerWaalsContact CA-O 3.3Å; M181-L385 WeakPolarHBondContact CA-O 3.48Å; M181-L385 HydrophobicContact CG-CD2 3.77Å; M181-L385 HydrophobicContact CG-CG 4.49Å; M181-L385 HydrophobicContact SD-CD2 4.44Å; E182-L385 PolarHBondContact N-O 3.35Å; F185-L385 HydrophobicContact CD1-CD1 4.5Å; F185-L385 HydrophobicContact CD1-CG 4.04Å; F185-L385 HydrophobicContact CE1-CD1 3.65Å; F185-L385 HydrophobicContact CE1-CG 3.64Å; F185-L385 HydrophobicContact CE2-CD1 4.12Å; F185-L385 HydrophobicContact CE2-CG 4.4Å; F185-L385 HydrophobicContact CZ-CD1 3.44Å; F185-L385 VanDerWaalsContact CZ-CD1 3.44Å; F185-L385 HydrophobicContact CZ-CG 3.87Å; L240-L385 HydrophobicContact CD2-CD1 3.9Å; F382-L385 HydrophobicContact CB-CB 3.98Å; F382-L385 HydrophobicContact CD1-CB 4.39Å; F382-L385 HydrophobicContact CD1-CD1 4.07Å; F382-L385 WeakPolarHBondContact O-CA 3.46Å; F382-L385 VanDerWaalsContact O-CB 3.27Å; F382-L385 WeakPolarHBondContact O-CB 3.41Å; F382-L385 PolarHBondContact O-N 3.18Å; L385-V390 HydrophobicContact CD2-CG1 3.96Å
386	S	87.3	Confident	92.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	28%	0.278	C	S	.	.			trans	-150.2	153.2	179.4	-165.9	0	0	0	0	109.7	P180 F382 E388	P180-S386 VanDerWaalsContact O-CB 3.31Å; P180-S386 WeakPolarHBondContact O-CB 3.17Å; P180-S386 PolarHBondContact O-OG 3.45Å; F382-S386 PolarHBondContact O-N 3.23Å; S386-E388 VanDerWaalsContact C-N 3.26Å; S386-E388 PolarHBondContact OG-N 3.44Å
387	T	84.8	Confident	92.4	Very high	107 Å²	107	47.8 Å²	47.8	66%	0.656	26%	0.264	S	S	*	.	S	Bend	trans	-68.7	-28.9	171	52.3	0	0	0	0	111.9
388	E	85.9	Confident	92.4	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	24%	0.24	S	C	.	.	S	Bend	trans	-84.3	140.5	177	-67	-60.6	145.5	0	0	110.8	F179 S386 V390	F179-E388 HydrophobicContact CD1-CB 3.74Å; F179-E388 HydrophobicContact CD1-CG 4.47Å; F179-E388 HydrophobicContact CE1-CB 3.87Å; S386-E388 VanDerWaalsContact C-N 3.26Å; S386-E388 PolarHBondContact OG-N 3.44Å; E388-V390 PolarHBondContact O-N 2.99Å
389	P	87.6	Confident	92.2	Very high	111 Å²	111	35.2 Å²	35.2	72%	0.721	20%	0.2	S	C	*	.			trans	-55.7	124.2	174.1	-24.9	34.2	0	0	0	111.6
390	V	91.5	Very high	91.9	Very high	7 Å²	7	35 Å²	35	4%	0.042	19%	0.191	C	C	.	.			trans	-139.1	143.9	-177	63.8	0	0	0	0	109.9	R239 L240 F382 L385 E388	R239-V390 HydrophobicContact CB-CG2 4.14Å; L240-V390 HydrophobicContact CB-CG2 4.04Å; F382-V390 HydrophobicContact CB-CG1 3.58Å; F382-V390 WeakPolarHBondContact CD2-O 3.38Å; F382-V390 HydrophobicContact CG-CG1 4.43Å; L385-V390 HydrophobicContact CD2-CG1 3.96Å; E388-V390 PolarHBondContact O-N 2.99Å
391	Y	94.6	Very high	91.6	Very high	25 Å²	25	34.1 Å²	34.1	10%	0.098	18%	0.183	C	C	.	.			trans	-130.7	159.1	174.7	68	-85.3	0	0	0	109.7	L237 R239 L240 S376 Q377 S393	L237-Y391 PolarHBondContact O-OH 2.81Å; R239-Y391 HydrophobicContact CG-CE1 4.08Å; L240-Y391 WeakPolarHBondContact CB-O 3.4Å; S376-Y391 WeakPolarHBondContact O-CB 3.47Å; Q377-Y391 HydrophobicContact CB-CD1 3.89Å; Q377-Y391 HydrophobicContact CB-CE1 3.84Å; Q377-Y391 HydrophobicContact CB-CG 4.46Å; Q377-Y391 HydrophobicContact CG-CD1 4.01Å; Q377-Y391 HydrophobicContact CG-CE1 3.84Å; Y391-S393 PolarHBondContact O-N 2.81Å
392	V	96.4	Very high	91.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.			trans	-75.3	107.4	175.4	-177.3	0	0	0	0	108.4	L124 L240 M374 F375 F382 K394 A395	L124-V392 HydrophobicContact CD1-CG2 3.78Å; L124-V392 HydrophobicContact CD2-CG2 3.78Å; L124-V392 HydrophobicContact CG-CG2 4.44Å; L240-V392 HydrophobicContact CD2-CG2 4.17Å; M374-V392 HydrophobicContact CB-CG2 4.33Å; M374-V392 WeakPolarHBondContact O-CB 3.3Å; M374-V392 PolarHBondContact O-N 2.87Å; F375-V392 HydrophobicContact CD1-CB 3.97Å; F375-V392 HydrophobicContact CD1-CG1 4.01Å; F375-V392 WeakPolarHBondContact CD1-O 3.39Å; F375-V392 HydrophobicContact CE1-CB 4.2Å; F375-V392 HydrophobicContact CE1-CG1 3.81Å; F382-V392 HydrophobicContact CE2-CG2 3.82Å; F382-V392 HydrophobicContact CZ-CG2 3.82Å; V392-K394 WeakPolarHBondContact CG1-O 3.38Å; V392-A395 HydrophobicContact CG1-CB 4.23Å
393	S	95.1	Very high	91	Very high	11 Å²	11	34.8 Å²	34.8	8%	0.077	19%	0.187	C	C	.	.	S	Bend	trans	-74	-42.3	176.1	-50.1	0	0	0	0	110.8	L237 T238 R239 L240 Y391	L237-S393 PolarHBondContact O-OG 3.28Å; T238-S393 WeakPolarHBondContact CA-OG 3.47Å; R239-S393 PolarHBondContact N-OG 3.47Å; L240-S393 PolarHBondContact N-OG 2.8Å; L240-S393 PolarHBondContact O-N 3.18Å; Y391-S393 PolarHBondContact O-N 2.81Å
394	K	94.6	Very high	91	Very high	51 Å²	51	32.1 Å²	32.1	22%	0.222	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.2	-178.5	-69.9	-73.3	168.5	170	0	111.6	M232 L240 V241 A242 D361 V392 L396	M232-K394 WeakPolarHBondContact O-CE 3.29Å; L240-K394 PolarHBondContact O-N 2.79Å; V241-K394 WeakPolarHBondContact CA-O 3.42Å; V241-K394 HydrophobicContact CG1-CB 4.18Å; V241-K394 HydrophobicContact CG2-CB 4.27Å; A242-K394 PolarHBondContact N-O 3.26Å; D361-K394 IonicContact OD2-NZ 2.95Å; D361-K394 PolarHBondContact OD2-NZ 3.35Å; V392-K394 WeakPolarHBondContact CG1-O 3.38Å; K394-L396 HydrophobicContact CB-CG 4.23Å; K394-L396 HydrophobicContact CD-CD2 4.35Å
395	A	96.4	Very high	91.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	100.2	171.1	0	0	0	0	0	108.4	I120 A242 L362 F375 V392	I120-A395 HydrophobicContact CG2-CB 4.25Å; A242-A395 CarbonylContact O-C 3.5Å; A242-A395 WeakPolarHBondContact O-CA 3.38Å; L362-A395 HydrophobicContact CB-CB 4.14Å; L362-A395 WeakPolarHBondContact CB-O 3.42Å; L362-A395 PolarHBondContact N-O 3.48Å; F375-A395 HydrophobicContact CE1-CB 3.84Å; F375-A395 HydrophobicContact CZ-CB 4.14Å; V392-A395 HydrophobicContact CG1-CB 4.23Å
396	L	94.7	Very high	90.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.6	-168.9	-58.4	178.8	0	0	0	111.5	I120 L227 I228 A242 L243 N244 D361 K394	I120-L396 WeakPolarHBondContact CD1-O 3.48Å; L227-L396 HydrophobicContact CD2-CB 4.04Å; L227-L396 HydrophobicContact CD2-CD1 3.9Å; I228-L396 HydrophobicContact CB-CD1 4.38Å; I228-L396 HydrophobicContact CD1-CD1 3.6Å; I228-L396 HydrophobicContact CG1-CD1 3.97Å; A242-L396 PolarHBondContact O-N 2.93Å; L243-L396 WeakPolarHBondContact CA-O 3.31Å; N244-L396 PolarHBondContact N-O 3.34Å; D361-L396 HydrophobicContact CB-CD2 4.02Å; K394-L396 HydrophobicContact CB-CG 4.23Å; K394-L396 HydrophobicContact CD-CD2 4.35Å
397	Q	94.2	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	170.8	177.8	171	79.7	0	0	111.3	S113 G116 N244 E359 V360 L362	S113-Q397 PolarHBondContact O-NE2 3.38Å; S113-Q397 PolarHBondContact O-OE1 3.43Å; G116-Q397 VanDerWaalsContact C-NE2 3.3Å; G116-Q397 VanDerWaalsContact CA-NE2 3.27Å; N244-Q397 VanDerWaalsContact O-CA 3.3Å; N244-Q397 WeakPolarHBondContact O-CA 3.42Å; N244-Q397 PolarHBondContact OD1-NE2 2.86Å; E359-Q397 CarbonylContact C-O 3.59Å; E359-Q397 WeakPolarHBondContact CA-O 3.29Å; V360-Q397 PolarHBondContact N-O 2.88Å; V360-Q397 PolarHBondContact O-N 3.27Å; L362-Q397 HydrophobicContact CD1-CB 4.12Å; L362-Q397 HydrophobicContact CD2-CB 4.46Å; L362-Q397 HydrophobicContact CG-CB 4.35Å
398	K	91.7	Very high	88.8	Confident	19 Å²	19	29.7 Å²	29.7	8%	0.083	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.4	171.1	-167.2	63.8	166.5	171.9	0	110.4	I224 N226 L227 N244 S245 I246 D357 E359	I224-K398 HydrophobicContact CD1-CG 4.29Å; I224-K398 HydrophobicContact CG2-CB 4.45Å; I224-K398 HydrophobicContact CG2-CG 3.51Å; N226-K398 WeakPolarHBondContact O-CE 3.42Å; L227-K398 HydrophobicContact CB-CB 4.47Å; L227-K398 HydrophobicContact CB-CG 4.44Å; L227-K398 HydrophobicContact CD1-CB 3.33Å; L227-K398 HydrophobicContact CD1-CG 4.1Å; L227-K398 HydrophobicContact CG-CB 3.74Å; L227-K398 HydrophobicContact CG-CG 4.21Å; N244-K398 PolarHBondContact O-N 3.39Å; S245-K398 VanDerWaalsContact CA-O 3.3Å; S245-K398 WeakPolarHBondContact CA-O 3.4Å; I246-K398 PolarHBondContact N-O 2.95Å; D357-K398 WeakPolarHBondContact OD1-CE 3.37Å; D357-K398 IonicContact OD1-NZ 2.92Å; D357-K398 PolarHBondContact OD1-NZ 3.49Å; E359-K398 HydrophobicContact CB-CD 3.75Å; E359-K398 HydrophobicContact CG-CD 4.21Å
399	S	89.4	Confident	86.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.5	-176.7	-62	0	0	0	0	109.3	S113 V358	S113-S399 PolarHBondContact N-OG 2.83Å; V358-S399 PolarHBondContact N-O 2.99Å; V358-S399 PolarHBondContact O-N 2.81Å
400	K	90.2	Very high	84.6	Confident	39 Å²	39	32.1 Å²	32.1	17%	0.17	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	174.6	-171.8	173.1	-166.8	144.9	0	111.7	H223 I224 I246 Y247 F248 A356 D357	H223-K400 WeakPolarHBondContact O-CD 3.46Å; H223-K400 VanDerWaalsContact O-CE 3.31Å; H223-K400 WeakPolarHBondContact O-CE 3.33Å; H223-K400 PolarHBondContact O-NZ 2.71Å; I224-K400 HydrophobicContact CD1-CB 4.26Å; I224-K400 HydrophobicContact CG1-CB 4.07Å; I224-K400 HydrophobicContact CG1-CD 4.32Å; I246-K400 PolarHBondContact O-N 3.37Å; Y247-K400 HydrophobicContact CD2-CB 4.19Å; Y247-K400 HydrophobicContact CD2-CD 4.39Å; Y247-K400 HydrophobicContact CD2-CG 4.26Å; F248-K400 PolarHBondContact N-O 2.97Å; A356-K400 WeakPolarHBondContact O-CA 3.09Å; D357-K400 HydrophobicContact CB-CG 4.43Å; D357-K400 WeakPolarHBondContact OD2-CD 3.47Å; D357-K400 WeakPolarHBondContact OD2-CE 3.46Å; D357-K400 IonicContact OD2-NZ 2.81Å; D357-K400 PolarHBondContact OD2-NZ 3.5Å
401	I	89.3	Confident	82	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.5	178	-177.9	-178.7	0	0	0	109.7	V111 M312 S355 A356 V403 F435 I437 F447	V111-I401 HydrophobicContact CG1-CG2 4.11Å; M312-I401 HydrophobicContact CE-CD1 4Å; S355-I401 WeakPolarHBondContact CA-O 3.2Å; S355-I401 PolarHBondContact OG-O 2.84Å; A356-I401 HydrophobicContact CB-CG2 3.79Å; A356-I401 PolarHBondContact N-O 3.42Å; A356-I401 PolarHBondContact O-N 2.84Å; I401-V403 HydrophobicContact CD1-CG2 3.93Å; I401-V403 HydrophobicContact CG1-CG2 4.14Å; I401-F435 HydrophobicContact CD1-CD2 4.29Å; I401-F435 HydrophobicContact CD1-CE2 3.54Å; I401-F435 HydrophobicContact CD1-CZ 4.06Å; I401-F435 HydrophobicContact CG2-CZ 4.36Å; I401-I437 HydrophobicContact CD1-CD1 3.41Å; I401-I437 VanDerWaalsContact CD1-CD1 3.41Å; I401-I437 HydrophobicContact CD1-CG1 4.29Å; I401-I437 HydrophobicContact CG1-CD1 4.2Å; I401-F447 HydrophobicContact CB-CD1 4.39Å; I401-F447 HydrophobicContact CB-CE1 4.39Å
402	I	87.8	Confident	79.3	Confident	61 Å²	61	38.2 Å²	38.2	31%	0.313	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.2	174.4	-57.3	173	0	0	0	107.3	Y247 N404	Y247-I402 HydrophobicContact CE2-CD1 4.44Å; I402-N404 HydrophobicContact CG2-CB 4.44Å
403	V	89.4	Confident	76.5	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.8	175.7	171.2	0	0	0	0	108	W252 M279 M312 K353 F354 I401	W252-V403 HydrophobicContact CZ2-CG1 4.1Å; M279-V403 HydrophobicContact CE-CG1 3.82Å; M312-V403 HydrophobicContact CE-CG2 3.58Å; K353-V403 WeakPolarHBondContact CG-O 3.32Å; F354-V403 HydrophobicContact CD1-CB 3.94Å; F354-V403 HydrophobicContact CD1-CG1 4.06Å; F354-V403 HydrophobicContact CD1-CG2 4.4Å; F354-V403 HydrophobicContact CE1-CB 3.78Å; F354-V403 HydrophobicContact CE1-CG1 3.81Å; F354-V403 HydrophobicContact CE1-CG2 3.8Å; F354-V403 HydrophobicContact CE2-CB 4.41Å; F354-V403 HydrophobicContact CE2-CG2 3.98Å; F354-V403 HydrophobicContact CG-CB 4.33Å; F354-V403 HydrophobicContact CZ-CB 4.04Å; F354-V403 HydrophobicContact CZ-CG1 4.46Å; F354-V403 HydrophobicContact CZ-CG2 3.57Å; F354-V403 PolarHBondContact N-O 3.42Å; F354-V403 VanDerWaalsContact N-O 3.15Å; F354-V403 WeakPolarHBondContact O-CA 3.4Å; F354-V403 PolarHBondContact O-N 3.45Å; F354-V403 VanDerWaalsContact O-O 3.08Å; I401-V403 HydrophobicContact CD1-CG2 3.93Å; I401-V403 HydrophobicContact CG1-CG2 4.14Å
404	N	91	Very high	73.9	Confident	33 Å²	33	47.8 Å²	47.8	18%	0.176	28%	0.277	C	S	.	.			trans	-133.5	-171.9	-178.4	68.1	7.7	0	0	0	110.7	W252 I402 E406	W252-N404 PolarHBondContact NE1-O 2.81Å; I402-N404 HydrophobicContact CG2-CB 4.44Å; N404-E406 PolarHBondContact O-N 3.48Å; N404-E406 WeakPolarHBondContact OD1-CB 3.3Å; N404-E406 PolarHBondContact OD1-N 3.33Å
405	E	91.7	Very high	71.4	Confident	23 Å²	23	51 Å²	51	11%	0.107	30%	0.3	C	S	.	.	S	Bend	trans	-74.5	-14.1	-177.7	-62.1	87.7	161.8	0	0	113.7	F256 P258 T261 M279 K353 G407	F256-E405 HydrophobicContact CB-CB 3.96Å; F256-E405 HydrophobicContact CB-CG 4.01Å; F256-E405 PolarHBondContact N-O 2.85Å; F256-E405 VanDerWaalsContact N-O 3.08Å; P258-E405 HydrophobicContact CG-CB 4.26Å; P258-E405 HydrophobicContact CG-CG 4.41Å; T261-E405 WeakPolarHBondContact CB-OE1 3.42Å; T261-E405 WeakPolarHBondContact OG1-CG 3.35Å; T261-E405 PolarHBondContact OG1-OE1 2.96Å; M279-E405 HydrophobicContact CG-CG 4.08Å; M279-E405 HydrophobicContact SD-CB 4.34Å; M279-E405 HydrophobicContact SD-CG 3.69Å; M279-E405 PolarHBondContact SD-N 3.12Å; M279-E405 VanDerWaalsContact SD-N 3.43Å; K353-E405 VanDerWaalsContact CE-OE2 3.31Å; K353-E405 WeakPolarHBondContact CE-OE2 3.35Å; K353-E405 IonicContact NZ-OE1 3.38Å; K353-E405 PolarHBondContact NZ-OE1 3.19Å; K353-E405 IonicContact NZ-OE2 2.76Å; K353-E405 PolarHBondContact NZ-OE2 2.89Å; E405-G407 PolarHBondContact O-N 3.49Å
406	E	85.9	Confident	68.5	Low	78 Å²	78	55.1 Å²	55.1	36%	0.364	34%	0.335	S	S	.	.			trans	-60.1	124.3	-168.8	-165.4	176.8	169.4	0	0	111.3	K249 W252 N404	K249-E406 WeakPolarHBondContact CE-OE2 3.36Å; K249-E406 IonicContact NZ-OE1 2.75Å; K249-E406 PolarHBondContact NZ-OE1 3.29Å; K249-E406 IonicContact NZ-OE2 3.03Å; K249-E406 PolarHBondContact NZ-OE2 3.39Å; W252-E406 PolarHBondContact N-O 2.85Å; N404-E406 PolarHBondContact O-N 3.48Å; N404-E406 WeakPolarHBondContact OD1-CB 3.3Å; N404-E406 PolarHBondContact OD1-N 3.33Å
407	G	76.2	Confident	66	Low	24 Å²	24	62 Å²	62	25%	0.247	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-169.9	169.7	-178.3	0	0	0	0	0	111.4	W252 E405 K409	W252-G407 CarbonylContact O-C 3.58Å; W252-G407 WeakPolarHBondContact O-CA 3.44Å; E405-G407 PolarHBondContact O-N 3.49Å; G407-K409 PolarHBondContact O-N 2.94Å
408	T	52.4	Low	63.6	Low	37 Å²	37	67 Å²	67	23%	0.227	40%	0.397	C	S	.	.			trans	-70.7	129.3	174.3	47.1	0	0	0	0	110.5	W252 K253 G255 H306 A410	W252-T408 PolarHBondContact O-N 3.11Å; W252-T408 PolarHBondContact O-OG1 2.84Å; K253-T408 PolarHBondContact O-OG1 3.46Å; G255-T408 PolarHBondContact N-O 3.43Å; H306-T408 HydrophobicContact CB-CG2 4.07Å; H306-T408 WeakPolarHBondContact ND1-CG2 3.49Å; T408-A410 PolarHBondContact O-N 3.45Å
409	K	44	Very low	61.4	Low	201 Å²	201	75.4 Å²	75.4	87%	0.874	44%	0.438	S	S	*	.	S	Bend	trans	-70.5	77.5	171.6	-75.2	-176.7	177.3	179.1	0	109.1	G407	G407-K409 PolarHBondContact O-N 2.94Å
410	A	39.8	Very low	59.7	Low	61 Å²	61	78.8 Å²	78.8	50%	0.504	47%	0.466	S	S	.	.			trans	-134.8	29.9	175.8	0	0	0	0	0	112.5	T408 S412	T408-A410 PolarHBondContact O-N 3.45Å; A410-S412 VanDerWaalsContact C-N 3.33Å; A410-S412 PolarHBondContact O-N 3.49Å
411	A	37.5	Very low	58	Low	61 Å²	61	89.5 Å²	89.5	50%	0.504	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	34	174.2	0	0	0	0	0	113
412	S	36.8	Very low	57	Low	99 Å²	99	93.9 Å²	93.9	69%	0.692	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-4.9	177.3	-163	0	0	0	0	115.3	A410 T415	A410-S412 VanDerWaalsContact C-N 3.33Å; A410-S412 PolarHBondContact O-N 3.49Å; S412-T415 PolarHBondContact O-OG1 2.9Å
413	T	37.9	Very low	56.7	Low	125 Å²	125	94.8 Å²	94.8	77%	0.767	55%	0.548	S	S	*	.	S	Bend	trans	-111.9	-3.4	-170.4	-28.8	0	0	0	0	114.2
414	T	42.1	Very low	56.6	Low	88 Å²	88	95.9 Å²	95.9	54%	0.54	56%	0.555	S	S	.	*			trans	-98.9	21.5	179.4	-19.3	0	0	0	0	113	I284 A416	I284-T414 HydrophobicContact CD1-CG2 3.64Å; T414-A416 VanDerWaalsContact C-N 3.25Å; T414-A416 PolarHBondContact O-N 2.83Å
415	T	40.5	Very low	56.6	Low	117 Å²	117	97.9 Å²	97.9	72%	0.718	57%	0.569	S	S	*	*	S	Bend	trans	-77	-12.8	178.2	-29.2	0	0	0	0	112.2	S412	S412-T415 PolarHBondContact O-OG1 2.9Å
416	A	35.7	Very low	56.6	Low	87 Å²	87	102.6 Å²	102.6	72%	0.719	59%	0.586	S	S	*	*	S	Bend	trans	-98.7	-8	-165.6	0	0	0	0	0	117.5	T414	T414-A416 VanDerWaalsContact C-N 3.25Å; T414-A416 PolarHBondContact O-N 2.83Å
417	I	42.8	Very low	57.1	Low	148 Å²	148	99 Å²	99	76%	0.759	57%	0.57	S	S	*	*	S	Bend	trans	-122.3	0.8	-165	-57.9	-178.6	0	0	0	116.3
418	L	43	Very low	58.1	Low	105 Å²	105	99.7 Å²	99.7	55%	0.55	57%	0.569	S	S	.	*			trans	-137	83.8	170.1	-73.4	169.1	0	0	0	111.2	A420	L418-A420 PolarHBondContact O-N 3.38Å
419	M	46.5	Very low	60.2	Low	195 Å²	195	98 Å²	98	96%	0.961	56%	0.559	S	S	*	*			trans	-69.2	68.6	159.9	-73.7	-159.8	-98	0	0	109.8
420	A	52.8	Low	62.7	Low	70 Å²	70	90.5 Å²	90.5	58%	0.579	53%	0.528	S	S	*	.			trans	-80.7	123.4	160.9	0	0	0	0	0	107.8	L418 S422	L418-A420 PolarHBondContact O-N 3.38Å; A420-S422 PolarHBondContact O-N 3.41Å
421	R	55.9	Low	65.4	Low	265 Å²	265	89.8 Å²	89.8	100%	1	51%	0.513	S	S	*	.	S	Bend	trans	-72	2.2	179.5	-72.4	179.9	169.4	158.1	-3.6	114
422	S	68.4	Low	68.2	Low	91 Å²	91	88 Å²	88	64%	0.636	50%	0.495	S	S	*	.	S	Bend	trans	-109.5	151.9	-179.2	55.6	0	0	0	0	112.5	A420	A420-S422 PolarHBondContact O-N 3.41Å
423	S	80.7	Confident	71.1	Confident	81 Å²	81	83.3 Å²	83.3	57%	0.566	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-61.2	130.7	174.6	179	0	0	0	0	110.1	R348	R348-S423 PolarHBondContact NH1-OG 3.48Å
424	P	86.7	Confident	74	Confident	25 Å²	25	77.3 Å²	77.3	16%	0.162	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-55.8	140.3	174.2	-25	34.3	0	0	0	111.4	L282 K346	L282-P424 HydrophobicContact CD1-CB 3.85Å; L282-P424 HydrophobicContact CD1-CG 3.81Å; K346-P424 HydrophobicContact CD-CG 4.14Å; K346-P424 HydrophobicContact CG-CB 4.38Å; K346-P424 HydrophobicContact CG-CG 4.22Å
425	P	90.6	Very high	76.6	Confident	74 Å²	74	73.1 Å²	73.1	48%	0.481	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-68.4	154.4	178.7	29.3	-35.2	0	0	0	111.5	V347 R348	V347-P425 HydrophobicContact CG1-CG 4.26Å; R348-P425 PolarHBondContact N-O 2.81Å
426	W	92.9	Very high	79.4	Confident	123 Å²	123	67.6 Å²	67.6	47%	0.466	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.1	174.1	-67.3	93.6	0	0	0	111.1	R348 L350	R348-W426 HydrophobicContact CB-CD2 3.72Å; R348-W426 HydrophobicContact CB-CE3 3.34Å; R348-W426 HydrophobicContact CB-CG 4.38Å; R348-W426 HydrophobicContact CB-CH2 4.23Å; R348-W426 HydrophobicContact CB-CZ3 3.61Å; R348-W426 VanDerWaalsContact CD-CZ2 3.43Å; R348-W426 HydrophobicContact CG-CD2 4.5Å; R348-W426 HydrophobicContact CG-CE3 4.35Å; R348-W426 HydrophobicContact CG-CZ3 4.33Å; R348-W426 WeakPolarHBondContact O-CA 3.19Å; L350-W426 HydrophobicContact CD1-CD2 4.47Å; L350-W426 HydrophobicContact CD1-CE3 3.21Å; L350-W426 HydrophobicContact CD1-CZ3 3.27Å; L350-W426 HydrophobicContact CG-CZ3 4.45Å
427	V	95.5	Very high	82.3	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	107.3	164.6	179.1	0	0	0	0	106.3	L287 I301 V347 R348 L349 L350	L287-V427 HydrophobicContact CD1-CG2 4.07Å; L287-V427 HydrophobicContact CD2-CG2 3.97Å; I301-V427 HydrophobicContact CD1-CG1 4.27Å; V347-V427 HydrophobicContact CB-CG2 4.23Å; V347-V427 HydrophobicContact CG1-CG2 4.27Å; R348-V427 PolarHBondContact O-N 3.35Å; L349-V427 CarbonylContact C-O 3.43Å; L349-V427 WeakPolarHBondContact CA-O 3.33Å; L349-V427 HydrophobicContact CD1-CB 4Å; L349-V427 HydrophobicContact CD1-CG1 3.87Å; L349-V427 WeakPolarHBondContact CD1-O 3.45Å; L350-V427 PolarHBondContact N-O 2.88Å
428	T	96.6	Very high	84.8	Confident	38 Å²	38	57.9 Å²	57.9	23%	0.233	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.1	-178.7	-48.8	0	0	0	0	108.9	L350 D430	L350-T428 HydrophobicContact CB-CG2 4.11Å; L350-T428 HydrophobicContact CD2-CG2 4.49Å; T428-D430 HydrophobicContact CG2-CB 3.69Å; T428-D430 WeakPolarHBondContact CG2-OD2 3.34Å
429	V	97.6	Very high	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.			trans	-106.7	68.6	175.4	-171.2	0	0	0	0	108.4	M278 I314 V316 L350 I351 P352 F433	M278-V429 WeakPolarHBondContact CE-O 3.41Å; I314-V429 HydrophobicContact CG2-CG1 4.25Å; I314-V429 HydrophobicContact CG2-CG2 4.21Å; V316-V429 HydrophobicContact CG2-CB 4.43Å; V316-V429 HydrophobicContact CG2-CG1 4.03Å; V316-V429 HydrophobicContact CG2-CG2 3.92Å; L350-V429 WeakPolarHBondContact O-CG2 3.48Å; L350-V429 PolarHBondContact O-N 3.41Å; I351-V429 HydrophobicContact CG2-CB 4.31Å; I351-V429 HydrophobicContact CG2-CG2 3.73Å; P352-V429 WeakPolarHBondContact CD-O 3.28Å; P352-V429 WeakPolarHBondContact CG-O 3.29Å; V429-F433 HydrophobicContact CG1-CB 3.74Å; V429-F433 HydrophobicContact CG1-CD1 3.29Å; V429-F433 HydrophobicContact CG1-CD2 4Å; V429-F433 HydrophobicContact CG1-CE1 3.79Å; V429-F433 HydrophobicContact CG1-CE2 4.41Å; V429-F433 HydrophobicContact CG1-CG 3.39Å; V429-F433 HydrophobicContact CG1-CZ 4.32Å
430	D	96.7	Very high	89.6	Confident	45 Å²	45	45.7 Å²	45.7	24%	0.241	24%	0.241	C	C	.	.			trans	-105	18.2	-173.6	56.4	6.2	0	0	0	114.2	F266 T267 M278 T428	F266-D430 CarbonylContact C-O 3.58Å; F266-D430 WeakPolarHBondContact CA-O 3.42Å; T267-D430 PolarHBondContact N-O 3.04Å; M278-D430 HydrophobicContact CE-CB 4.13Å; T428-D430 HydrophobicContact CG2-CB 3.69Å; T428-D430 WeakPolarHBondContact CG2-OD2 3.34Å
431	R	96	Very high	91.5	Very high	46 Å²	46	46.7 Å²	46.7	17%	0.174	24%	0.241	C	C	.	.	S	Bend	trans	-152.9	172	-176	72.1	-164.2	78.1	156.1	-11.2	109.9	F266 T267 V316 P317 E319 F433	F266-R431 VanDerWaalsContact CE2-N 3.32Å; F266-R431 WeakPolarHBondContact CE2-O 3.28Å; F266-R431 WeakPolarHBondContact CZ-O 3.3Å; T267-R431 WeakPolarHBondContact O-CA 3.49Å; V316-R431 HydrophobicContact CG1-CG 3.94Å; P317-R431 PolarHBondContact O-NH1 3.34Å; E319-R431 VanDerWaalsContact CG-CZ 3.49Å; E319-R431 IonicContact OE1-CZ 3.94Å; E319-R431 IonicContact OE1-NH2 3.04Å; E319-R431 PolarHBondContact OE1-NH2 2.87Å; R431-F433 WeakPolarHBondContact O-CD1 3.29Å; R431-F433 PolarHBondContact O-N 2.98Å
432	P	96.9	Very high	93.2	Very high	22 Å²	22	35 Å²	35	14%	0.143	20%	0.199	C	C	.	.			trans	-55.1	130.7	-176.3	-26.8	37.2	0	0	0	112.5	T267 L323 I451 N452	T267-P432 WeakPolarHBondContact O-CD 3.27Å; L323-P432 HydrophobicContact CB-CB 4.18Å; L323-P432 HydrophobicContact CD2-CB 4.27Å; P432-I451 VanDerWaalsContact CA-O 3.24Å; P432-I451 WeakPolarHBondContact CA-O 3.46Å; P432-N452 WeakPolarHBondContact CB-OD1 3.34Å
433	F	97.5	Very high	94.4	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.3	-175.6	66.6	-84.1	0	0	0	111.4	F266 I314 V316 L323 P352 F354 V429 R431 F435 I451	F266-F433 HydrophobicContact CE2-CD1 4.22Å; F266-F433 HydrophobicContact CE2-CE1 4.19Å; F266-F433 HydrophobicContact CZ-CD1 4.34Å; F266-F433 HydrophobicContact CZ-CE1 4.45Å; I314-F433 HydrophobicContact CG2-CB 4.28Å; I314-F433 HydrophobicContact CG2-CD2 3.8Å; I314-F433 HydrophobicContact CG2-CG 4.32Å; V316-F433 HydrophobicContact CG2-CB 4.15Å; L323-F433 VanDerWaalsContact CD2-C 3.48Å; P352-F433 HydrophobicContact CG-CE1 3.98Å; P352-F433 HydrophobicContact CG-CZ 4.42Å; F354-F433 HydrophobicContact CD1-CZ 4.35Å; F354-F433 HydrophobicContact CE1-CE2 4.22Å; F354-F433 AromaticContact CE1-CZ 3.82Å; F354-F433 HydrophobicContact CE1-CZ 3.82Å; F354-F433 HydrophobicContact CZ-CE2 4.4Å; F354-F433 HydrophobicContact CZ-CZ 4.28Å; V429-F433 HydrophobicContact CG1-CB 3.74Å; V429-F433 HydrophobicContact CG1-CD1 3.29Å; V429-F433 HydrophobicContact CG1-CD2 4Å; V429-F433 HydrophobicContact CG1-CE1 3.79Å; V429-F433 HydrophobicContact CG1-CE2 4.41Å; V429-F433 HydrophobicContact CG1-CG 3.39Å; V429-F433 HydrophobicContact CG1-CZ 4.32Å; R431-F433 WeakPolarHBondContact O-CD1 3.29Å; R431-F433 PolarHBondContact O-N 2.98Å; F433-F435 HydrophobicContact CD2-CB 4.36Å; F433-F435 HydrophobicContact CE2-CB 4.2Å; F433-F435 HydrophobicContact CE2-CD1 4.25Å; F433-I451 HydrophobicContact CD1-CB 4.1Å; F433-I451 HydrophobicContact CE1-CB 3.57Å; F433-I451 HydrophobicContact CE1-CG1 4.24Å; F433-I451 HydrophobicContact CE1-CG2 3.68Å; F433-I451 HydrophobicContact CE2-CB 4.16Å; F433-I451 HydrophobicContact CE2-CG1 4.02Å; F433-I451 HydrophobicContact CZ-CB 3.61Å; F433-I451 HydrophobicContact CZ-CG1 3.74Å; F433-I451 HydrophobicContact CZ-CG2 3.91Å; F433-I451 PolarHBondContact N-O 3.37Å; F433-I451 PolarHBondContact O-N 3.38Å
434	L	97.9	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.6	169.9	173.5	75.4	0	0	0	108.3	F98 I314 A315 L323 I330 L436 M448 G449	F98-L434 HydrophobicContact CE1-CD1 3.83Å; F98-L434 HydrophobicContact CZ-CD1 3.97Å; I314-L434 CarbonylContact C-O 3.46Å; I314-L434 WeakPolarHBondContact CA-O 3.4Å; A315-L434 HydrophobicContact CB-CB 4.31Å; A315-L434 HydrophobicContact CB-CD2 4.46Å; A315-L434 PolarHBondContact N-O 2.66Å; A315-L434 PolarHBondContact O-N 3.39Å; L323-L434 HydrophobicContact CD1-CB 4.05Å; I330-L434 HydrophobicContact CG1-CD2 3.78Å; I330-L434 HydrophobicContact CG2-CD2 4.33Å; L434-L436 HydrophobicContact CD2-CD1 3.82Å; L434-L436 HydrophobicContact CG-CD1 3.83Å; L434-M448 HydrophobicContact CD1-CE 3.58Å; L434-M448 HydrophobicContact CD1-CG 3.9Å; L434-M448 HydrophobicContact CD2-CE 3.92Å; L434-M448 HydrophobicContact CG-CE 4.33Å; L434-G449 CarbonylContact C-O 3.11Å; L434-G449 WeakPolarHBondContact CA-O 3.24Å; L434-G449 WeakPolarHBondContact CD1-O 3.38Å
435	F	97.6	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	151.2	167.4	77.2	-87.2	0	0	0	111.4	V111 M312 L313 I314 F354 I401 F433 I437 F447 M448 G449 I451	V111-F435 HydrophobicContact CG1-CZ 3.96Å; V111-F435 HydrophobicContact CG2-CE1 3.95Å; V111-F435 HydrophobicContact CG2-CZ 3.82Å; M312-F435 HydrophobicContact CE-CD2 4.2Å; M312-F435 HydrophobicContact CG-CB 4.45Å; M312-F435 HydrophobicContact SD-CB 4.38Å; L313-F435 CarbonylContact O-C 3.58Å; L313-F435 VanDerWaalsContact O-CA 3.24Å; L313-F435 WeakPolarHBondContact O-CA 3.38Å; I314-F435 HydrophobicContact CG1-CB 4.34Å; F354-F435 HydrophobicContact CE2-CD1 4.5Å; F354-F435 HydrophobicContact CE2-CE1 4.07Å; F354-F435 HydrophobicContact CE2-CZ 4.38Å; F354-F435 HydrophobicContact CZ-CD1 4.13Å; F354-F435 HydrophobicContact CZ-CE1 4.15Å; I401-F435 HydrophobicContact CD1-CD2 4.29Å; I401-F435 HydrophobicContact CD1-CE2 3.54Å; I401-F435 HydrophobicContact CD1-CZ 4.06Å; I401-F435 HydrophobicContact CG2-CZ 4.36Å; F433-F435 HydrophobicContact CD2-CB 4.36Å; F433-F435 HydrophobicContact CE2-CB 4.2Å; F433-F435 HydrophobicContact CE2-CD1 4.25Å; F435-I437 HydrophobicContact CD2-CG1 4.5Å; F435-F447 HydrophobicContact CE2-CB 4.23Å; F435-M448 WeakPolarHBondContact O-CA 3.43Å; F435-G449 VanDerWaalsContact CD1-O 3.25Å; F435-G449 WeakPolarHBondContact CD1-O 3.33Å; F435-G449 VanDerWaalsContact CE1-CA 3.48Å; F435-G449 PolarHBondContact N-O 3.45Å; F435-G449 PolarHBondContact O-N 3.13Å; F435-I451 HydrophobicContact CD1-CD1 4.46Å; F435-I451 HydrophobicContact CD1-CG1 3.86Å; F435-I451 HydrophobicContact CE1-CD1 3.89Å; F435-I451 HydrophobicContact CE1-CG1 3.8Å
436	L	97.9	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.6	172.3	-57.7	84.3	0	0	0	109.1	M312 L313 V335 W338 L434 I445 F447 M448	M312-L436 CarbonylContact C-O 3.38Å; M312-L436 VanDerWaalsContact CA-O 3.28Å; M312-L436 WeakPolarHBondContact CA-O 3.33Å; L313-L436 HydrophobicContact CB-CB 4.36Å; L313-L436 PolarHBondContact N-O 3.12Å; L313-L436 PolarHBondContact O-N 2.83Å; V335-L436 HydrophobicContact CG2-CD2 3.67Å; W338-L436 HydrophobicContact CH2-CD1 3.76Å; W338-L436 HydrophobicContact CZ3-CD1 3.82Å; L434-L436 HydrophobicContact CD2-CD1 3.82Å; L434-L436 HydrophobicContact CG-CD1 3.83Å; L436-I445 HydrophobicContact CB-CG2 4.33Å; L436-I445 HydrophobicContact CD2-CD1 3.88Å; L436-I445 HydrophobicContact CD2-CG1 4.36Å; L436-I445 HydrophobicContact CD2-CG2 4.23Å; L436-F447 CarbonylContact C-O 3.58Å; L436-F447 VanDerWaalsContact CA-O 3.27Å; L436-F447 WeakPolarHBondContact CA-O 3.36Å; L436-M448 HydrophobicContact CG-CG 4.27Å
437	I	96.9	Very high	96.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.2	166.2	-61.8	-171	0	0	0	107.9	F248 I310 S311 M312 I401 F435 I445 L446 F447	F248-I437 HydrophobicContact CD1-CD1 3.4Å; F248-I437 VanDerWaalsContact CD1-CD1 3.4Å; F248-I437 HydrophobicContact CD1-CG2 4.47Å; F248-I437 HydrophobicContact CE1-CD1 3.58Å; F248-I437 HydrophobicContact CE1-CG2 4.29Å; F248-I437 HydrophobicContact CG-CD1 4.27Å; F248-I437 HydrophobicContact CZ-CG2 4.31Å; I310-I437 HydrophobicContact CG2-CG2 3.44Å; I310-I437 VanDerWaalsContact CG2-CG2 3.44Å; S311-I437 WeakPolarHBondContact O-CA 3.29Å; M312-I437 HydrophobicContact CE-CD1 4.08Å; M312-I437 HydrophobicContact CE-CG1 4.12Å; I401-I437 HydrophobicContact CD1-CD1 3.41Å; I401-I437 VanDerWaalsContact CD1-CD1 3.41Å; I401-I437 HydrophobicContact CD1-CG1 4.29Å; I401-I437 HydrophobicContact CG1-CD1 4.2Å; F435-I437 HydrophobicContact CD2-CG1 4.5Å; I437-I445 CarbonylContact O-C 3.59Å; I437-L446 HydrophobicContact CB-CB 4.5Å; I437-L446 HydrophobicContact CG2-CB 4.25Å; I437-L446 HydrophobicContact CG2-CD1 4.3Å; I437-L446 PolarHBondContact O-N 3.03Å; I437-F447 HydrophobicContact CB-CB 4.04Å; I437-F447 HydrophobicContact CB-CD2 4.29Å; I437-F447 HydrophobicContact CD1-CB 4.34Å; I437-F447 HydrophobicContact CD1-CD2 4.25Å; I437-F447 HydrophobicContact CD1-CG 4.47Å; I437-F447 HydrophobicContact CG1-CB 4.15Å; I437-F447 PolarHBondContact N-O 3.39Å; I437-F447 PolarHBondContact O-N 3.28Å
438	R	96.6	Very high	96.2	Very high	32 Å²	32	16.4 Å²	16.4	12%	0.121	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.6	-174	-175.5	177.6	-179.7	-101.8	6.6	110.7	I310 S311 L313 N440 T444	I310-R438 VanDerWaalsContact CA-O 3.29Å; I310-R438 WeakPolarHBondContact CA-O 3.48Å; S311-R438 PolarHBondContact N-O 2.93Å; S311-R438 PolarHBondContact O-N 3.48Å; L313-R438 HydrophobicContact CD1-CB 4.29Å; R438-N440 PolarHBondContact NH1-OD1 3.38Å; R438-N440 PolarHBondContact O-N 3.01Å; R438-T444 CarbonylContact C-O 3.59Å; R438-T444 WeakPolarHBondContact CA-O 3.5Å
439	H	95.8	Very high	96.1	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.014	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	98.2	164.7	-179.7	-108.4	0	0	0	109.4	L158 N163 T309 I310 T442 G443 T444 L446	L158-H439 HydrophobicContact CD2-CB 3.62Å; L158-H439 WeakPolarHBondContact CD2-ND1 3.43Å; N163-H439 PolarHBondContact OD1-NE2 3.34Å; T309-H439 CarbonylContact O-C 3.54Å; I310-H439 HydrophobicContact CG1-CB 4.42Å; H439-T442 WeakPolarHBondContact ND1-CG2 3.28Å; H439-T442 PolarHBondContact ND1-OG1 2.93Å; H439-T442 PolarHBondContact O-N 2.92Å; H439-T442 VanDerWaalsContact O-N 3.14Å; H439-T442 PolarHBondContact O-OG1 3.34Å; H439-G443 PolarHBondContact O-N 3.48Å; H439-T444 PolarHBondContact N-O 3.03Å; H439-T444 PolarHBondContact O-N 2.94Å; H439-L446 HydrophobicContact CB-CD1 4.32Å
440	N	93.9	Very high	96	Very high	41 Å²	41	14.7 Å²	14.7	22%	0.219	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-56.8	-43.1	-168.9	-65.1	-40.6	0	0	0	114.4	T309 S311 R438 T442 G443	T309-N440 WeakPolarHBondContact O-CB 3.4Å; T309-N440 PolarHBondContact O-N 2.97Å; S311-N440 PolarHBondContact OG-ND2 2.95Å; S311-N440 PolarHBondContact OG-OD1 2.93Å; R438-N440 PolarHBondContact NH1-OD1 3.38Å; R438-N440 PolarHBondContact O-N 3.01Å; N440-T442 PolarHBondContact O-N 3.42Å; N440-T442 VanDerWaalsContact O-N 3.13Å; N440-G443 PolarHBondContact O-N 3.5Å
441	P	92.8	Very high	96	Very high	91 Å²	91	12.7 Å²	12.7	59%	0.591	7%	0.07	S	C	*	.	G	3₁₀ helix	trans	-60.3	-25.9	179.5	-25.8	34.3	0	0	0	114.5	T309	T309-P441 HydrophobicContact CG2-CG 4.22Å; T309-P441 WeakPolarHBondContact O-CD 3.24Å
442	T	92.5	Very high	95.9	Very high	19 Å²	19	10.8 Å²	10.8	12%	0.117	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-111.3	-7.3	-177.3	61.9	0	0	0	0	113.7	S85 L154 N157 H439 N440 T444	S85-T442 PolarHBondContact OG-O 3.14Å; L154-T442 HydrophobicContact CD1-CG2 3.77Å; N157-T442 HydrophobicContact CB-CG2 4.33Å; H439-T442 WeakPolarHBondContact ND1-CG2 3.28Å; H439-T442 PolarHBondContact ND1-OG1 2.93Å; H439-T442 PolarHBondContact O-N 2.92Å; H439-T442 VanDerWaalsContact O-N 3.14Å; H439-T442 PolarHBondContact O-OG1 3.34Å; N440-T442 PolarHBondContact O-N 3.42Å; N440-T442 VanDerWaalsContact O-N 3.13Å; T442-T444 WeakPolarHBondContact CB-OG1 3.46Å; T442-T444 PolarHBondContact O-N 3.48Å; T442-T444 VanDerWaalsContact O-N 3.13Å; T442-T444 WeakPolarHBondContact OG1-CB 3.21Å; T442-T444 PolarHBondContact OG1-N 2.96Å; T442-T444 PolarHBondContact OG1-OG1 3.44Å
443	G	93.6	Very high	95.6	Very high	5 Å²	5	13.5 Å²	13.5	5%	0.052	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	6.4	-170.1	0	0	0	0	0	115.4	H439 N440	H439-G443 PolarHBondContact O-N 3.48Å; N440-G443 PolarHBondContact O-N 3.5Å
444	T	95.6	Very high	94.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.5	-176.5	-53.4	0	0	0	0	111.3	G87 S91 H115 L158 R438 H439 T442 L446	G87-T444 VanDerWaalsContact CA-OG1 3.32Å; G87-T444 WeakPolarHBondContact CA-OG1 3.39Å; S91-T444 WeakPolarHBondContact OG-CA 3.43Å; H115-T444 HydrophobicContact CB-CG2 3.75Å; L158-T444 HydrophobicContact CD1-CG2 4.05Å; L158-T444 HydrophobicContact CD2-CG2 4.25Å; R438-T444 CarbonylContact C-O 3.59Å; R438-T444 WeakPolarHBondContact CA-O 3.5Å; H439-T444 PolarHBondContact N-O 3.03Å; H439-T444 PolarHBondContact O-N 2.94Å; T442-T444 WeakPolarHBondContact CB-OG1 3.46Å; T442-T444 PolarHBondContact O-N 3.48Å; T442-T444 VanDerWaalsContact O-N 3.13Å; T442-T444 WeakPolarHBondContact OG1-CB 3.21Å; T442-T444 PolarHBondContact OG1-N 2.96Å; T442-T444 PolarHBondContact OG1-OG1 3.44Å; T444-L446 HydrophobicContact CG2-CD2 4.42Å
445	I	97	Very high	94.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.2	172.7	-59.8	164.5	0	0	0	108	S91 I95 P114 H115 T332 V335 L436 I437 F447 M448	S91-I445 PolarHBondContact OG-N 3.42Å; I95-I445 HydrophobicContact CD1-CD1 3.39Å; I95-I445 HydrophobicContact CG1-CD1 4.04Å; P114-I445 HydrophobicContact CB-CB 4.33Å; P114-I445 HydrophobicContact CB-CG2 4.38Å; P114-I445 HydrophobicContact CG-CB 4.25Å; P114-I445 HydrophobicContact CG-CG2 3.76Å; H115-I445 PolarHBondContact N-O 3.41Å; H115-I445 VanDerWaalsContact N-O 3.17Å; T332-I445 HydrophobicContact CG2-CD1 4.16Å; V335-I445 HydrophobicContact CG2-CD1 4.36Å; L436-I445 HydrophobicContact CB-CG2 4.33Å; L436-I445 HydrophobicContact CD2-CD1 3.88Å; L436-I445 HydrophobicContact CD2-CG1 4.36Å; L436-I445 HydrophobicContact CD2-CG2 4.23Å; I437-I445 CarbonylContact O-C 3.59Å; I445-F447 VanDerWaalsContact CG2-O 3.23Å; I445-F447 WeakPolarHBondContact CG2-O 3.47Å; I445-M448 HydrophobicContact CG2-CB 4.32Å
446	L	96	Very high	94.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-41.6	-179.8	-66.3	175.8	0	0	0	111.4	S113 L158 V167 I246 I310 I437 H439 T444	S113-L446 VanDerWaalsContact CA-O 3.29Å; S113-L446 WeakPolarHBondContact CA-O 3.23Å; S113-L446 WeakPolarHBondContact CB-O 3.34Å; S113-L446 PolarHBondContact OG-O 3.5Å; L158-L446 HydrophobicContact CD1-CD2 4.15Å; L158-L446 HydrophobicContact CD2-CD2 4.1Å; L158-L446 HydrophobicContact CG-CD2 4.49Å; V167-L446 HydrophobicContact CG1-CD1 4.22Å; V167-L446 HydrophobicContact CG1-CD2 4.37Å; V167-L446 HydrophobicContact CG2-CD1 3.82Å; I246-L446 HydrophobicContact CD1-CB 4.41Å; I246-L446 HydrophobicContact CD1-CD2 4.31Å; I310-L446 HydrophobicContact CD1-CD1 4.09Å; I437-L446 HydrophobicContact CB-CB 4.5Å; I437-L446 HydrophobicContact CG2-CB 4.25Å; I437-L446 HydrophobicContact CG2-CD1 4.3Å; I437-L446 PolarHBondContact O-N 3.03Å; H439-L446 HydrophobicContact CB-CD1 4.32Å; T444-L446 HydrophobicContact CG2-CD2 4.42Å
447	F	96.5	Very high	94.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.1	177.4	-68.4	-100.8	0	0	0	109.8	V111 L112 I246 F248 I401 F435 L436 I437 I445	V111-F447 HydrophobicContact CG1-CD1 4.18Å; L112-F447 WeakPolarHBondContact O-CA 3.33Å; I246-F447 HydrophobicContact CB-CZ 4.14Å; I246-F447 HydrophobicContact CD1-CD2 4.44Å; I246-F447 HydrophobicContact CD1-CE2 3.67Å; I246-F447 HydrophobicContact CD1-CZ 4.02Å; I246-F447 HydrophobicContact CG1-CE2 3.79Å; I246-F447 HydrophobicContact CG1-CZ 3.69Å; I246-F447 HydrophobicContact CG2-CE1 3.87Å; I246-F447 HydrophobicContact CG2-CE2 4.33Å; I246-F447 HydrophobicContact CG2-CZ 3.63Å; F248-F447 HydrophobicContact CB-CD2 4.09Å; F248-F447 HydrophobicContact CB-CE2 3.33Å; F248-F447 HydrophobicContact CB-CZ 3.79Å; F248-F447 HydrophobicContact CG-CE2 4.3Å; I401-F447 HydrophobicContact CB-CD1 4.39Å; I401-F447 HydrophobicContact CB-CE1 4.39Å; F435-F447 HydrophobicContact CE2-CB 4.23Å; L436-F447 CarbonylContact C-O 3.58Å; L436-F447 VanDerWaalsContact CA-O 3.27Å; L436-F447 WeakPolarHBondContact CA-O 3.36Å; I437-F447 HydrophobicContact CB-CB 4.04Å; I437-F447 HydrophobicContact CB-CD2 4.29Å; I437-F447 HydrophobicContact CD1-CB 4.34Å; I437-F447 HydrophobicContact CD1-CD2 4.25Å; I437-F447 HydrophobicContact CD1-CG 4.47Å; I437-F447 HydrophobicContact CG1-CB 4.15Å; I437-F447 PolarHBondContact N-O 3.39Å; I437-F447 PolarHBondContact O-N 3.28Å; I445-F447 VanDerWaalsContact CG2-O 3.23Å; I445-F447 WeakPolarHBondContact CG2-O 3.47Å
448	M	97.4	Very high	94.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.3	169.6	-176.1	172.9	-170.7	0	0	107.9	I95 F98 L112 P114 I330 L434 F435 L436 I445	I95-M448 HydrophobicContact CB-SD 4.27Å; I95-M448 HydrophobicContact CG1-SD 3.72Å; I95-M448 HydrophobicContact CG2-CE 4.2Å; I95-M448 HydrophobicContact CG2-SD 4.2Å; F98-M448 HydrophobicContact CB-SD 4.12Å; F98-M448 HydrophobicContact CD1-CE 3.51Å; F98-M448 HydrophobicContact CD1-CG 3.96Å; F98-M448 HydrophobicContact CD1-SD 3.56Å; F98-M448 VanDerWaalsContact CD1-SD 3.56Å; F98-M448 HydrophobicContact CD2-CG 4.25Å; F98-M448 HydrophobicContact CE1-CE 3.66Å; F98-M448 HydrophobicContact CE1-CG 4.03Å; F98-M448 HydrophobicContact CE1-SD 4.09Å; F98-M448 HydrophobicContact CE2-CG 4.31Å; F98-M448 HydrophobicContact CG-CE 4.39Å; F98-M448 HydrophobicContact CG-CG 4.06Å; F98-M448 HydrophobicContact CG-SD 3.84Å; F98-M448 HydrophobicContact CZ-CG 4.19Å; L112-M448 PolarHBondContact N-O 3.33Å; L112-M448 PolarHBondContact O-N 3.39Å; L112-M448 VanDerWaalsContact O-O 3.09Å; P114-M448 HydrophobicContact CG-CB 3.78Å; I330-M448 HydrophobicContact CB-CE 4.28Å; I330-M448 HydrophobicContact CG2-CE 3.88Å; L434-M448 HydrophobicContact CD1-CE 3.58Å; L434-M448 HydrophobicContact CD1-CG 3.9Å; L434-M448 HydrophobicContact CD2-CE 3.92Å; L434-M448 HydrophobicContact CG-CE 4.33Å; F435-M448 WeakPolarHBondContact O-CA 3.43Å; L436-M448 HydrophobicContact CG-CG 4.27Å; I445-M448 HydrophobicContact CG2-CB 4.32Å
449	G	96.2	Very high	94.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	146.5	177.4	0	0	0	0	0	114.6	V110 L434 F435	V110-G449 CarbonylContact O-C 3.45Å; V110-G449 WeakPolarHBondContact O-CA 3.3Å; L434-G449 CarbonylContact C-O 3.11Å; L434-G449 WeakPolarHBondContact CA-O 3.24Å; L434-G449 WeakPolarHBondContact CD1-O 3.38Å; F435-G449 VanDerWaalsContact CD1-O 3.25Å; F435-G449 WeakPolarHBondContact CD1-O 3.33Å; F435-G449 VanDerWaalsContact CE1-CA 3.48Å; F435-G449 PolarHBondContact N-O 3.45Å; F435-G449 PolarHBondContact O-N 3.13Å
450	Q	95.6	Very high	94	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	165.4	75.4	-179.8	2.4	0	0	108.2	F98 V102 K105 E108 N109 V110 L323 I327	F98-Q450 HydrophobicContact CZ-CB 4.06Å; F98-Q450 HydrophobicContact CZ-CG 4.47Å; V102-Q450 HydrophobicContact CG2-CG 4.13Å; K105-Q450 PolarHBondContact O-NE2 3.42Å; E108-Q450 PolarHBondContact O-NE2 3.48Å; N109-Q450 WeakPolarHBondContact CA-O 3.36Å; V110-Q450 HydrophobicContact CB-CG 4.02Å; V110-Q450 HydrophobicContact CG2-CG 4.34Å; V110-Q450 PolarHBondContact N-O 3.08Å; V110-Q450 PolarHBondContact O-N 3.25Å; L323-Q450 HydrophobicContact CD2-CB 3.88Å; I327-Q450 HydrophobicContact CD1-CB 4.09Å
451	I	95.2	Very high	94	Very high	2 Å²	2	18 Å²	18	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106.7	174.9	-57.5	-62.4	0	0	0	107.2	N109 V111 F354 P432 F433 F435 P454	N109-I451 HydrophobicContact CB-CD1 4.46Å; N109-I451 WeakPolarHBondContact OD1-CA 3.44Å; V111-I451 HydrophobicContact CG2-CD1 4.28Å; F354-I451 HydrophobicContact CD2-CD1 4.12Å; F354-I451 HydrophobicContact CE2-CD1 3.92Å; F354-I451 HydrophobicContact CE2-CG1 4.1Å; F354-I451 HydrophobicContact CZ-CG1 4.24Å; P432-I451 VanDerWaalsContact CA-O 3.24Å; P432-I451 WeakPolarHBondContact CA-O 3.46Å; F433-I451 HydrophobicContact CD1-CB 4.1Å; F433-I451 HydrophobicContact CE1-CB 3.57Å; F433-I451 HydrophobicContact CE1-CG1 4.24Å; F433-I451 HydrophobicContact CE1-CG2 3.68Å; F433-I451 HydrophobicContact CE2-CB 4.16Å; F433-I451 HydrophobicContact CE2-CG1 4.02Å; F433-I451 HydrophobicContact CZ-CB 3.61Å; F433-I451 HydrophobicContact CZ-CG1 3.74Å; F433-I451 HydrophobicContact CZ-CG2 3.91Å; F433-I451 PolarHBondContact N-O 3.37Å; F433-I451 PolarHBondContact O-N 3.38Å; F435-I451 HydrophobicContact CD1-CD1 4.46Å; F435-I451 HydrophobicContact CD1-CG1 3.86Å; F435-I451 HydrophobicContact CE1-CD1 3.89Å; F435-I451 HydrophobicContact CE1-CG1 3.8Å; I451-P454 HydrophobicContact CG2-CB 3.6Å; I451-P454 HydrophobicContact CG2-CG 4.25Å
452	N	94.1	Very high	94.1	Very high	7 Å²	7	12.4 Å²	12.4	4%	0.037	7%	0.069	C	C	.	.	S	Bend	trans	-91.5	-26.7	174.6	-78.1	-55.5	0	0	0	111.7	P106 L107 E108 N109 F266 G268 G269 P432	P106-N452 PolarHBondContact O-ND2 3.43Å; L107-N452 WeakPolarHBondContact O-CB 3.36Å; L107-N452 PolarHBondContact O-ND2 3.47Å; E108-N452 PolarHBondContact O-ND2 3.29Å; N109-N452 PolarHBondContact OD1-N 3.37Å; F266-N452 WeakPolarHBondContact CE1-O 3.49Å; G268-N452 VanDerWaalsContact CA-O 3.26Å; G268-N452 WeakPolarHBondContact CA-O 3.42Å; G269-N452 PolarHBondContact N-O 3.46Å; P432-N452 WeakPolarHBondContact CB-OD1 3.34Å
453	Q	90.9	Very high	94.3	Very high	78 Å²	78	11.8 Å²	11.8	36%	0.364	7%	0.065	S	C	.	.			trans	-148.2	87.7	-177.7	-65.4	-179	-3.2	0	0	109.9	N109 D270 Y274	N109-Q453 PolarHBondContact ND2-O 2.97Å; N109-Q453 PolarHBondContact OD1-N 2.94Å; D270-Q453 PolarHBondContact OD2-NE2 2.94Å; Y274-Q453 HydrophobicContact CE2-CG 4.15Å; Y274-Q453 PolarHBondContact OH-NE2 2.83Å
454	P	83.1	Confident	94.3	Very high	46 Å²	46	12.5 Å²	12.5	30%	0.299	7%	0.066	S	C	.	.			trans	-69.2	0	-170.1	24.7	-31.7	0	0	0	115.8	F266 V276 P352 F354 I451	F266-P454 HydrophobicContact CD1-CG 4.12Å; F266-P454 HydrophobicContact CD2-CG 3.64Å; F266-P454 VanDerWaalsContact CE1-CD 3.4Å; F266-P454 HydrophobicContact CE1-CG 4.14Å; F266-P454 HydrophobicContact CE2-CG 3.66Å; F266-P454 HydrophobicContact CG-CG 3.89Å; F266-P454 HydrophobicContact CZ-CG 3.91Å; V276-P454 HydrophobicContact CB-CG 4.45Å; V276-P454 HydrophobicContact CG1-CG 4.17Å; V276-P454 HydrophobicContact CG2-CG 4.24Å; P352-P454 HydrophobicContact CB-CB 3.48Å; P352-P454 VanDerWaalsContact CB-CB 3.48Å; P352-P454 HydrophobicContact CB-CG 3.75Å; P352-P454 HydrophobicContact CG-CB 3.98Å; P352-P454 HydrophobicContact CG-CG 3.83Å; F354-P454 HydrophobicContact CB-CB 4.17Å; F354-P454 VanDerWaalsContact CB-OXT 3.24Å; F354-P454 WeakPolarHBondContact CB-OXT 3.19Å; I451-P454 HydrophobicContact CG2-CB 3.6Å; I451-P454 HydrophobicContact CG2-CG 4.25Å

Retrieved 454 of 454 residues in 83.4 ms (Link to these results)

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