A0A087XG54_POEFO Loading...

Collagenase 3

AlphaFold DB , UniProt , Accession A0A087XG54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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	T	37.8	Very low	38.9	Very low	182 Å²	182	147.7 Å²	147.7	100%	1.117	81%	0.805	S	S	*	*				0	115.1	0	27.6	0	0	0	0	108.7
2	W	31.1	Very low	39	Very low	228 Å²	228	145.2 Å²	145.2	86%	0.864	80%	0.797	S	S	*	*			trans	49.9	122	143.6	-69.9	74.7	0	0	0	122.3
3	T	43.7	Very low	39	Very low	107 Å²	107	147.1 Å²	147.1	66%	0.656	80%	0.797	S	S	*	*			trans	73.2	150.7	133.4	53.1	0	0	0	0	119.7
4	L	44.3	Very low	39.1	Very low	143 Å²	143	144.6 Å²	144.6	75%	0.749	78%	0.781	S	S	*	*			cis	-174.6	132.2	7.6	-103	156.5	0	0	0	104.1
5	V	42.6	Very low	39	Very low	112 Å²	112	141.3 Å²	141.3	68%	0.679	77%	0.773	S	S	*	*				88.6	141.5	86.5	164.8	0	0	0	0	117.2
6	L	38.1	Very low	38.9	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	78%	0.777	S	S	*	*			trans	75.1	141.7	166.7	-71.3	150.9	0	0	0	117.2
7	S	33.6	Very low	39.2	Very low	98 Å²	98	144.6 Å²	144.6	69%	0.685	78%	0.775	S	S	*	*			cis	176.2	142	-0.4	40.9	0	0	0	0	109
8	S	36.6	Very low	39.3	Very low	117 Å²	117	149.1 Å²	149.1	82%	0.818	78%	0.779	S	S	*	*			trans	-158.1	105.5	151.5	177	0	0	0	0	109.1
9	L	37.6	Very low	39.3	Very low	153 Å²	153	147.8 Å²	147.8	80%	0.801	78%	0.78	S	S	*	*			trans	-77.1	125.4	171.3	-89.2	103.8	0	0	0	109.7
10	M	39	Very low	39.5	Very low	175 Å²	175	147 Å²	147	86%	0.862	78%	0.781	S	S	*	*			trans	-108	112.6	152.6	-93	-81.7	164.8	0	0	107.4	V12	M10-V12 PolarHBondContact O-N 3.4Å
11	L	43.4	Very low	39.8	Very low	152 Å²	152	148.5 Å²	148.5	80%	0.796	78%	0.784	S	S	*	*			trans	-67.7	112.9	172.8	-82.9	146.4	0	0	0	109.3
12	V	40.2	Very low	40.2	Very low	117 Å²	117	148.5 Å²	148.5	71%	0.709	77%	0.771	S	S	*	*			trans	-113	101.4	157.8	179.1	0	0	0	0	106	M10 I14	M10-V12 PolarHBondContact O-N 3.4Å; V12-I14 HydrophobicContact CG1-CG1 3.95Å; V12-I14 PolarHBondContact O-N 3.49Å
13	E	39.2	Very low	41	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	77%	0.77	S	S	*	*			trans	-68.8	99.5	164	-78.6	-160.2	161.4	0	0	108.1	S15	E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.96Å
14	I	40.6	Very low	41.7	Very low	112 Å²	112	147.1 Å²	147.1	57%	0.574	77%	0.772	S	S	*	*			trans	-75.3	95.2	167.3	-53.7	171.1	0	0	0	106.4	V12 W16	V12-I14 HydrophobicContact CG1-CG1 3.95Å; V12-I14 PolarHBondContact O-N 3.49Å; I14-W16 VanDerWaalsContact C-N 3.27Å; I14-W16 HydrophobicContact CG2-CD2 4.36Å; I14-W16 HydrophobicContact CG2-CG 4.05Å; I14-W16 VanDerWaalsContact CG2-NE1 3.25Å; I14-W16 PolarHBondContact O-N 2.81Å
15	S	37.3	Very low	42.8	Very low	95 Å²	95	148.9 Å²	148.9	66%	0.664	78%	0.776	S	S	*	*			trans	-65.3	92.4	161.4	-66.2	0	0	0	0	107.7	E13 T17	E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.96Å; S15-T17 PolarHBondContact O-N 3.22Å
16	W	37.3	Very low	44.5	Very low	219 Å²	219	146.6 Å²	146.6	83%	0.83	76%	0.76	S	S	*	*			trans	-71.6	76.3	164.7	-73.5	86	0	0	0	108.3	I14 R18	I14-W16 VanDerWaalsContact C-N 3.27Å; I14-W16 HydrophobicContact CG2-CD2 4.36Å; I14-W16 HydrophobicContact CG2-CG 4.05Å; I14-W16 VanDerWaalsContact CG2-NE1 3.25Å; I14-W16 PolarHBondContact O-N 2.81Å; W16-R18 PolarHBondContact O-N 2.87Å; W16-R18 VanDerWaalsContact O-N 3.08Å
17	T	44.1	Very low	46.8	Very low	121 Å²	121	142 Å²	142	74%	0.742	74%	0.738	S	S	*	*			trans	-62.3	109	154.7	49	0	0	0	0	105.8	S15	S15-T17 PolarHBondContact O-N 3.22Å
18	R	41	Very low	49.3	Very low	225 Å²	225	142.4 Å²	142.4	85%	0.849	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-48.6	135.6	166.9	-72.3	-177.6	177	-175.3	-1.2	107.4	W16 T20	W16-R18 PolarHBondContact O-N 2.87Å; W16-R18 VanDerWaalsContact O-N 3.08Å; R18-T20 PolarHBondContact O-N 2.81Å
19	P	38.9	Very low	51.6	Low	124 Å²	124	142.9 Å²	142.9	81%	0.805	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.3	169	25.4	-31.4	0	0	0	106.5	E21	P19-E21 PolarHBondContact O-N 3Å
20	T	44.5	Very low	54	Low	131 Å²	131	136.8 Å²	136.8	80%	0.804	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-53.2	124	163.7	36.9	0	0	0	0	106.2	R18 E22	R18-T20 PolarHBondContact O-N 2.81Å; T20-E22 PolarHBondContact O-N 3.39Å
21	E	45.6	Very low	56.3	Low	180 Å²	180	130.5 Å²	130.5	84%	0.841	67%	0.672	S	S	*	*			trans	-45.5	118	164.9	-89.4	175.2	148.9	0	0	106.5	P19 D23	P19-E21 PolarHBondContact O-N 3Å; E21-D23 PolarHBondContact O-N 2.87Å
22	E	44.9	Very low	58.5	Low	182 Å²	182	128.5 Å²	128.5	85%	0.85	66%	0.658	S	S	*	*			trans	-55.4	110.4	178.3	-166	170.5	-160.4	0	0	106.6	T20 Q24	T20-E22 PolarHBondContact O-N 3.39Å; E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 3.43Å
23	D	48.5	Very low	60.9	Low	157 Å²	157	125.9 Å²	125.9	84%	0.84	64%	0.64	S	S	*	*			trans	-56.1	96.1	177.5	-90.2	-32.5	0	0	0	107.4	E21 H25	E21-D23 PolarHBondContact O-N 2.87Å; D23-H25 PolarHBondContact O-N 2.99Å
24	Q	57.8	Low	63.4	Low	148 Å²	148	117.8 Å²	117.8	69%	0.692	60%	0.602	S	S	*	*			trans	-60.4	106.7	174	-91.5	-174.1	-20.9	0	0	107.4	E22 L26	E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 3.43Å; Q24-L26 PolarHBondContact O-N 2.93Å
25	H	68.4	Low	65.7	Low	181 Å²	181	115.5 Å²	115.5	84%	0.838	59%	0.588	S	S	*	*			trans	-67.3	107.3	-178.8	-138.2	-67.4	0	0	0	108.4	D23 T27	D23-H25 PolarHBondContact O-N 2.99Å; H25-T27 PolarHBondContact O-N 3.22Å
26	L	78.9	Confident	68.2	Low	63 Å²	63	113.8 Å²	113.8	33%	0.33	58%	0.576	S	S	.	*			trans	-53.8	130	178.1	-71	163.1	0	0	0	110.8	Q24 D30 V31 L81 M86	Q24-L26 PolarHBondContact O-N 2.93Å; L26-D30 HydrophobicContact CD2-CB 4.1Å; L26-V31 HydrophobicContact CB-CG2 4.36Å; L26-L81 HydrophobicContact CD1-CB 3.71Å; L26-L81 HydrophobicContact CD1-CD1 4.41Å; L26-L81 WeakPolarHBondContact CD1-O 3.48Å; L26-L81 HydrophobicContact CD2-CB 4.1Å; L26-L81 WeakPolarHBondContact CD2-O 3.42Å; L26-M86 HydrophobicContact CD2-CG 3.79Å; L26-M86 HydrophobicContact CD2-SD 4.27Å
27	T	85.4	Confident	70.9	Confident	61 Å²	61	103.9 Å²	103.9	37%	0.374	54%	0.539	S	S	.	.			trans	-76.4	157.3	175.4	67.9	0	0	0	0	110.8	H25 D29 D30 V31	H25-T27 PolarHBondContact O-N 3.22Å; T27-D29 PolarHBondContact O-N 2.98Å; T27-D30 WeakPolarHBondContact CB-OD2 3.37Å; T27-D30 PolarHBondContact N-OD2 3.25Å; T27-D30 WeakPolarHBondContact O-CB 3.41Å; T27-D30 PolarHBondContact O-N 3.42Å; T27-D30 VanDerWaalsContact O-N 3.13Å; T27-D30 PolarHBondContact OG1-N 2.68Å; T27-D30 VanDerWaalsContact OG1-N 3.09Å; T27-D30 PolarHBondContact OG1-OD2 2.88Å; T27-V31 PolarHBondContact O-N 3.28Å; T27-V31 VanDerWaalsContact O-N 3.17Å
28	P	85.2	Confident	73.2	Confident	107 Å²	107	98.1 Å²	98.1	70%	0.695	50%	0.503	S	S	*	.	H	α-helix	trans	-54.1	-33.6	171.4	-26.9	36	0	0	0	113	V31 Q32	P28-V31 PolarHBondContact O-N 3.16Å; P28-Q32 PolarHBondContact O-N 3.19Å
29	D	86.5	Confident	75.5	Confident	128 Å²	128	93.7 Å²	93.7	68%	0.684	49%	0.487	S	S	*	.	H	α-helix	trans	-69.3	-40.6	177.9	-64.3	-23.4	0	0	0	111.6	T27 V31 Q32 L33	T27-D29 PolarHBondContact O-N 2.98Å; D29-V31 VanDerWaalsContact C-N 3.32Å; D29-V31 PolarHBondContact O-N 2.61Å; D29-Q32 PolarHBondContact O-N 3.19Å; D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 3.17Å
30	D	87.1	Confident	77.8	Confident	24 Å²	24	91.3 Å²	91.3	13%	0.128	46%	0.461	C	S	.	.	H	α-helix	trans	-60.2	-42.7	174.1	-68.9	-49.8	0	0	0	111.7	L26 T27 Q32 L33 A34 M86 K90	L26-D30 HydrophobicContact CD2-CB 4.1Å; T27-D30 WeakPolarHBondContact CB-OD2 3.37Å; T27-D30 PolarHBondContact N-OD2 3.25Å; T27-D30 WeakPolarHBondContact O-CB 3.41Å; T27-D30 PolarHBondContact O-N 3.42Å; T27-D30 VanDerWaalsContact O-N 3.13Å; T27-D30 PolarHBondContact OG1-N 2.68Å; T27-D30 VanDerWaalsContact OG1-N 3.09Å; T27-D30 PolarHBondContact OG1-OD2 2.88Å; D30-Q32 VanDerWaalsContact C-N 3.31Å; D30-Q32 PolarHBondContact O-N 3.11Å; D30-L33 PolarHBondContact O-N 3.48Å; D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å; D30-M86 HydrophobicContact CB-CE 3.72Å; D30-K90 WeakPolarHBondContact OD1-CE 3.46Å; D30-K90 IonicContact OD1-NZ 3.51Å; D30-K90 PolarHBondContact OD1-NZ 2.86Å
31	V	87.8	Confident	80.1	Confident	44 Å²	44	85.4 Å²	85.4	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-65.9	-37.8	177.7	176	0	0	0	0	110.9	L26 T27 P28 D29 K35	L26-V31 HydrophobicContact CB-CG2 4.36Å; T27-V31 PolarHBondContact O-N 3.28Å; T27-V31 VanDerWaalsContact O-N 3.17Å; P28-V31 PolarHBondContact O-N 3.16Å; D29-V31 VanDerWaalsContact C-N 3.32Å; D29-V31 PolarHBondContact O-N 2.61Å; V31-K35 HydrophobicContact CG1-CD 4.39Å; V31-K35 VanDerWaalsContact O-CG 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.46Å; V31-K35 PolarHBondContact O-N 3.08Å
32	Q	88.8	Confident	82.2	Confident	110 Å²	110	76.9 Å²	76.9	51%	0.514	39%	0.385	S	S	.	.	H	α-helix	trans	-70.6	-42	178	-172	65	-5.8	0	0	111.7	P28 D29 D30 A34 K35 S36	P28-Q32 PolarHBondContact O-N 3.19Å; D29-Q32 PolarHBondContact O-N 3.19Å; D30-Q32 VanDerWaalsContact C-N 3.31Å; D30-Q32 PolarHBondContact O-N 3.11Å; Q32-A34 PolarHBondContact O-N 2.98Å; Q32-K35 WeakPolarHBondContact O-CB 3.48Å; Q32-K35 PolarHBondContact O-N 3.24Å; Q32-S36 PolarHBondContact O-N 3.18Å; Q32-S36 PolarHBondContact O-OG 2.94Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å
33	L	90.7	Very high	84.1	Confident	61 Å²	61	70.8 Å²	70.8	32%	0.319	36%	0.362	S	S	.	.	H	α-helix	trans	-56.2	-49.4	172.6	176.1	66.8	0	0	0	110.9	D29 D30 K35 S36 Y37 M86 K90	D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 3.17Å; D30-L33 PolarHBondContact O-N 3.48Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.8Å; L33-S36 WeakPolarHBondContact CA-OG 3.31Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-OG 3.37Å; L33-Y37 VanDerWaalsContact O-CB 3.29Å; L33-Y37 WeakPolarHBondContact O-CB 3.5Å; L33-Y37 PolarHBondContact O-N 2.77Å; L33-M86 HydrophobicContact CD2-CE 4.06Å; L33-K90 HydrophobicContact CD2-CD 4.44Å; L33-K90 HydrophobicContact CD2-CG 3.55Å
34	A	91.6	Very high	85.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-40.1	177.8	0	0	0	0	0	111.8	D30 Q32 Y37 L38 M62 L81 M86 M89	D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å; Q32-A34 PolarHBondContact O-N 2.98Å; A34-Y37 PolarHBondContact O-N 2.77Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 WeakPolarHBondContact O-CG 3.27Å; A34-L38 PolarHBondContact O-N 2.79Å; A34-M62 HydrophobicContact CB-CE 3.99Å; A34-L81 HydrophobicContact CB-CD1 3.5Å; A34-L81 VanDerWaalsContact CB-CD1 3.5Å; A34-L81 HydrophobicContact CB-CD2 3.74Å; A34-L81 HydrophobicContact CB-CG 4.28Å; A34-M86 HydrophobicContact CB-SD 4.37Å; A34-M89 HydrophobicContact CB-SD 3.73Å
35	K	90.3	Very high	86.5	Confident	65 Å²	65	67.2 Å²	67.2	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-44.8	175.3	-76	170.5	-175.6	168.4	0	112.2	V31 Q32 L33 R39 M62	V31-K35 HydrophobicContact CG1-CD 4.39Å; V31-K35 VanDerWaalsContact O-CG 3.31Å; V31-K35 WeakPolarHBondContact O-CG 3.46Å; V31-K35 PolarHBondContact O-N 3.08Å; Q32-K35 WeakPolarHBondContact O-CB 3.48Å; Q32-K35 PolarHBondContact O-N 3.24Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.8Å; K35-R39 WeakPolarHBondContact O-CB 3.46Å; K35-R39 VanDerWaalsContact O-CG 3.23Å; K35-R39 WeakPolarHBondContact O-CG 3.18Å; K35-R39 PolarHBondContact O-N 2.8Å; K35-M62 HydrophobicContact CG-CE 3.91Å; K35-M62 HydrophobicContact CG-SD 3.96Å
36	S	89.9	Confident	86.3	Confident	59 Å²	59	62.8 Å²	62.8	41%	0.413	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-42	176.1	43	0	0	0	0	111.6	Q32 L33 R39 R40	Q32-S36 PolarHBondContact O-N 3.18Å; Q32-S36 PolarHBondContact O-OG 2.94Å; Q32-S36 VanDerWaalsContact O-OG 3.11Å; L33-S36 WeakPolarHBondContact CA-OG 3.31Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-OG 3.37Å; S36-R39 PolarHBondContact O-N 2.66Å; S36-R40 WeakPolarHBondContact O-CB 3.4Å; S36-R40 PolarHBondContact O-N 2.94Å
37	Y	93.1	Very high	84.9	Confident	11 Å²	11	62.7 Å²	62.7	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-52.3	177.7	-170.3	-80.3	0	0	0	111.4	L33 A34 R39 R40 F41 Y42 M69 F73 M89 R93	L33-Y37 VanDerWaalsContact O-CB 3.29Å; L33-Y37 WeakPolarHBondContact O-CB 3.5Å; L33-Y37 PolarHBondContact O-N 2.77Å; A34-Y37 PolarHBondContact O-N 2.77Å; Y37-R39 VanDerWaalsContact C-N 3.3Å; Y37-R39 PolarHBondContact O-N 3.34Å; Y37-R40 PolarHBondContact O-N 2.81Å; Y37-F41 AromaticContact CD1-CD2 3.88Å; Y37-F41 HydrophobicContact CD1-CD2 3.88Å; Y37-F41 AromaticContact CD2-CD2 3.81Å; Y37-F41 HydrophobicContact CD2-CD2 3.81Å; Y37-F41 AromaticContact CD2-CE2 3.76Å; Y37-F41 HydrophobicContact CD2-CE2 3.76Å; Y37-F41 AromaticContact CE1-CD2 3.91Å; Y37-F41 HydrophobicContact CE1-CD2 3.91Å; Y37-F41 AromaticContact CE2-CD2 3.85Å; Y37-F41 HydrophobicContact CE2-CD2 3.85Å; Y37-F41 AromaticContact CE2-CE2 3.85Å; Y37-F41 HydrophobicContact CE2-CE2 3.85Å; Y37-F41 AromaticContact CG-CD2 3.82Å; Y37-F41 HydrophobicContact CG-CD2 3.82Å; Y37-F41 HydrophobicContact CG-CE2 4.18Å; Y37-F41 AromaticContact CZ-CD2 3.9Å; Y37-F41 VanDerWaalsContact O-CD2 3.27Å; Y37-F41 WeakPolarHBondContact O-CD2 3.27Å; Y37-F41 PolarHBondContact O-N 3.25Å; Y37-Y42 HydrophobicContact CD1-CD2 4.41Å; Y37-Y42 HydrophobicContact CD1-CE2 4.37Å; Y37-Y42 HydrophobicContact CE1-CD2 4.25Å; Y37-Y42 AromaticContact CE1-CE2 3.77Å; Y37-Y42 HydrophobicContact CE1-CE2 3.77Å; Y37-M69 HydrophobicContact CE1-CE 3.98Å; Y37-M69 HydrophobicContact CE1-CG 3.94Å; Y37-F73 WeakPolarHBondContact OH-CE2 3.5Å; Y37-F73 WeakPolarHBondContact OH-CZ 3.45Å; Y37-M89 HydrophobicContact CD1-CE 4.16Å; Y37-M89 HydrophobicContact CD1-CG 3.99Å; Y37-M89 HydrophobicContact CD1-SD 4.31Å; Y37-M89 HydrophobicContact CD2-CB 4.02Å; Y37-M89 HydrophobicContact CD2-CG 4.09Å; Y37-M89 HydrophobicContact CE1-CG 4.12Å; Y37-M89 HydrophobicContact CE2-CB 4.19Å; Y37-M89 HydrophobicContact CE2-CG 4.2Å; Y37-M89 HydrophobicContact CG-CB 4.33Å; Y37-M89 HydrophobicContact CG-CG 3.97Å; Y37-M89 HydrophobicContact CG-SD 4.33Å; Y37-R93 PolarHBondContact OH-NH1 2.81Å
38	L	92.4	Very high	82.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-68.3	-29.3	-179.6	-63.4	172	0	0	0	112.5	A34 Y42 S43 L44 M62 K65 V66 M69 M89	A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 WeakPolarHBondContact O-CG 3.27Å; A34-L38 PolarHBondContact O-N 2.79Å; L38-Y42 HydrophobicContact CD2-CD2 4.01Å; L38-Y42 HydrophobicContact CD2-CG 4.16Å; L38-Y42 CarbonylContact O-C 3.54Å; L38-Y42 VanDerWaalsContact O-CA 3.26Å; L38-Y42 WeakPolarHBondContact O-CA 3.46Å; L38-Y42 WeakPolarHBondContact O-CB 3.44Å; L38-Y42 PolarHBondContact O-N 2.84Å; L38-Y42 VanDerWaalsContact O-N 3.07Å; L38-S43 PolarHBondContact O-N 2.89Å; L38-L44 HydrophobicContact CB-CB 3.94Å; L38-L44 HydrophobicContact CB-CD2 3.81Å; L38-L44 HydrophobicContact CB-CG 4.47Å; L38-L44 HydrophobicContact CD1-CD2 4.37Å; L38-L44 VanDerWaalsContact O-CB 3.3Å; L38-L44 WeakPolarHBondContact O-CB 3.38Å; L38-L44 PolarHBondContact O-N 2.67Å; L38-M62 HydrophobicContact CD1-CE 4.44Å; L38-M62 HydrophobicContact CD1-CG 3.95Å; L38-K65 HydrophobicContact CB-CB 4.42Å; L38-K65 HydrophobicContact CD1-CB 4.25Å; L38-K65 HydrophobicContact CD2-CB 4.02Å; L38-K65 HydrophobicContact CG-CB 4.46Å; L38-V66 HydrophobicContact CD1-CG2 3.68Å; L38-M69 HydrophobicContact CD2-CB 4.15Å; L38-M89 HydrophobicContact CD2-CE 4.02Å; L38-M89 HydrophobicContact CG-CE 4.3Å
39	R	89.2	Confident	80.7	Confident	132 Å²	132	66.5 Å²	66.5	50%	0.498	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-46.7	171.8	-81.1	171.6	172.3	-176.4	-3.6	111.4	K35 S36 Y37 L44	K35-R39 WeakPolarHBondContact O-CB 3.46Å; K35-R39 VanDerWaalsContact O-CG 3.23Å; K35-R39 WeakPolarHBondContact O-CG 3.18Å; K35-R39 PolarHBondContact O-N 2.8Å; S36-R39 PolarHBondContact O-N 2.66Å; Y37-R39 VanDerWaalsContact C-N 3.3Å; Y37-R39 PolarHBondContact O-N 3.34Å; R39-L44 HydrophobicContact CG-CB 4.15Å; R39-L44 HydrophobicContact CG-CD2 4.48Å; R39-L44 WeakPolarHBondContact CG-O 3.32Å
40	R	88.1	Confident	78.6	Confident	73 Å²	73	72.7 Å²	72.7	28%	0.275	37%	0.366	S	S	.	.	H	α-helix	trans	-71	-49.3	-175.8	-169.6	172.3	-174.4	158.9	10.7	112	S36 Y37 P175 D177 V182	S36-R40 WeakPolarHBondContact O-CB 3.4Å; S36-R40 PolarHBondContact O-N 2.94Å; Y37-R40 PolarHBondContact O-N 2.81Å; R40-P175 PolarHBondContact NH2-O 3.09Å; R40-D177 IonicContact NH1-OD2 2.74Å; R40-D177 PolarHBondContact NH1-OD2 3.14Å; R40-V182 VanDerWaalsContact CZ-CG2 3.42Å
41	F	91.1	Very high	76.5	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.035	39%	0.391	C	S	.	.	H	α-helix	trans	-102.6	-16.9	-169.9	-52.4	-65.5	0	0	0	114.8	Y37 R93 C94 V96 D98 V99 V182	Y37-F41 AromaticContact CD1-CD2 3.88Å; Y37-F41 HydrophobicContact CD1-CD2 3.88Å; Y37-F41 AromaticContact CD2-CD2 3.81Å; Y37-F41 HydrophobicContact CD2-CD2 3.81Å; Y37-F41 AromaticContact CD2-CE2 3.76Å; Y37-F41 HydrophobicContact CD2-CE2 3.76Å; Y37-F41 AromaticContact CE1-CD2 3.91Å; Y37-F41 HydrophobicContact CE1-CD2 3.91Å; Y37-F41 AromaticContact CE2-CD2 3.85Å; Y37-F41 HydrophobicContact CE2-CD2 3.85Å; Y37-F41 AromaticContact CE2-CE2 3.85Å; Y37-F41 HydrophobicContact CE2-CE2 3.85Å; Y37-F41 AromaticContact CG-CD2 3.82Å; Y37-F41 HydrophobicContact CG-CD2 3.82Å; Y37-F41 HydrophobicContact CG-CE2 4.18Å; Y37-F41 AromaticContact CZ-CD2 3.9Å; Y37-F41 VanDerWaalsContact O-CD2 3.27Å; Y37-F41 WeakPolarHBondContact O-CD2 3.27Å; Y37-F41 PolarHBondContact O-N 3.25Å; F41-R93 VanDerWaalsContact CD1-CZ 3.47Å; F41-R93 HydrophobicContact CZ-CG 4.25Å; F41-C94 WeakPolarHBondContact CE1-O 3.49Å; F41-V96 WeakPolarHBondContact CD1-O 3.46Å; F41-D98 PolarHBondContact O-N 3.1Å; F41-V99 PolarHBondContact O-N 2.8Å; F41-V182 HydrophobicContact CE1-CG2 4.38Å; F41-V182 HydrophobicContact CZ-CG2 3.79Å
42	Y	89.8	Confident	74	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-123.5	10.5	-174.8	-67.4	-98.4	0	0	0	114.3	Y37 L38 L44 K65 Q68 M69 V72 D98 V99	Y37-Y42 HydrophobicContact CD1-CD2 4.41Å; Y37-Y42 HydrophobicContact CD1-CE2 4.37Å; Y37-Y42 HydrophobicContact CE1-CD2 4.25Å; Y37-Y42 AromaticContact CE1-CE2 3.77Å; Y37-Y42 HydrophobicContact CE1-CE2 3.77Å; L38-Y42 HydrophobicContact CD2-CD2 4.01Å; L38-Y42 HydrophobicContact CD2-CG 4.16Å; L38-Y42 CarbonylContact O-C 3.54Å; L38-Y42 VanDerWaalsContact O-CA 3.26Å; L38-Y42 WeakPolarHBondContact O-CA 3.46Å; L38-Y42 WeakPolarHBondContact O-CB 3.44Å; L38-Y42 PolarHBondContact O-N 2.84Å; L38-Y42 VanDerWaalsContact O-N 3.07Å; Y42-L44 PolarHBondContact O-N 3.21Å; Y42-K65 WeakPolarHBondContact O-CE 3.4Å; Y42-K65 PolarHBondContact O-NZ 3.12Å; Y42-Q68 HydrophobicContact CD1-CB 4.18Å; Y42-Q68 HydrophobicContact CD1-CG 4.01Å; Y42-Q68 HydrophobicContact CE1-CB 4.4Å; Y42-Q68 HydrophobicContact CE1-CG 4.13Å; Y42-M69 HydrophobicContact CD1-CB 4.19Å; Y42-M69 HydrophobicContact CD2-CB 4.28Å; Y42-M69 HydrophobicContact CD2-CG 4.48Å; Y42-M69 HydrophobicContact CE1-CB 3.65Å; Y42-M69 HydrophobicContact CE1-CG 4.35Å; Y42-M69 HydrophobicContact CE2-CB 3.79Å; Y42-M69 HydrophobicContact CE2-CG 3.71Å; Y42-M69 VanDerWaalsContact CZ-CA 3.43Å; Y42-M69 VanDerWaalsContact CZ-CB 3.45Å; Y42-M69 WeakPolarHBondContact OH-CA 3.2Å; Y42-V72 HydrophobicContact CE1-CG2 4.25Å; Y42-D98 HydrophobicContact CE1-CB 4.08Å; Y42-D98 HydrophobicContact CE2-CB 3.98Å; Y42-D98 WeakPolarHBondContact CE2-OD2 3.44Å; Y42-D98 VanDerWaalsContact OH-CB 3.31Å; Y42-D98 WeakPolarHBondContact OH-CB 3.41Å; Y42-D98 PolarHBondContact OH-OD2 3.31Å; Y42-V99 VanDerWaalsContact CA-CG2 3.48Å; Y42-V99 HydrophobicContact CD1-CB 4.35Å; Y42-V99 HydrophobicContact CD1-CG1 3.95Å; Y42-V99 HydrophobicContact CD1-CG2 3.38Å; Y42-V99 HydrophobicContact CE1-CG1 3.8Å; Y42-V99 HydrophobicContact CE1-CG2 4.05Å; Y42-V99 HydrophobicContact CG-CG2 3.87Å
43	S	85.3	Confident	71.9	Confident	54 Å²	54	79 Å²	79	38%	0.378	43%	0.43	S	S	.	.			trans	53.3	37.6	178.4	-64.1	0	0	0	0	113	L38 R45	L38-S43 PolarHBondContact O-N 2.89Å; S43-R45 PolarHBondContact O-N 2.77Å
44	L	82.3	Confident	69.4	Low	9 Å²	9	86.7 Å²	86.7	5%	0.047	46%	0.455	C	S	.	.			trans	-62.5	106.1	177.8	178.2	66.9	0	0	0	110.5	L38 R39 Y42 L46 A61 K65	L38-L44 HydrophobicContact CB-CB 3.94Å; L38-L44 HydrophobicContact CB-CD2 3.81Å; L38-L44 HydrophobicContact CB-CG 4.47Å; L38-L44 HydrophobicContact CD1-CD2 4.37Å; L38-L44 VanDerWaalsContact O-CB 3.3Å; L38-L44 WeakPolarHBondContact O-CB 3.38Å; L38-L44 PolarHBondContact O-N 2.67Å; R39-L44 HydrophobicContact CG-CB 4.15Å; R39-L44 HydrophobicContact CG-CD2 4.48Å; R39-L44 WeakPolarHBondContact CG-O 3.32Å; Y42-L44 PolarHBondContact O-N 3.21Å; L44-L46 HydrophobicContact CD1-CD2 4.25Å; L44-L46 HydrophobicContact CD2-CD2 4.32Å; L44-L46 HydrophobicContact CD2-CG 4.29Å; L44-L46 HydrophobicContact CG-CD2 4.27Å; L44-L46 HydrophobicContact CG-CG 4.22Å; L44-A61 HydrophobicContact CD1-CB 4.15Å; L44-K65 HydrophobicContact CB-CG 4.34Å; L44-K65 HydrophobicContact CD1-CB 4.37Å; L44-K65 HydrophobicContact CD1-CG 3.82Å
45	R	75.8	Confident	67	Low	221 Å²	221	97.3 Å²	97.3	83%	0.834	50%	0.501	S	S	*	.			trans	-92.9	106.1	171.4	-66.8	-175.4	178.9	172.4	0.8	109.7	S43 G47	S43-R45 PolarHBondContact O-N 2.77Å; R45-G47 PolarHBondContact O-N 3.41Å
46	L	62.3	Low	64.6	Low	89 Å²	89	101 Å²	101	47%	0.466	52%	0.522	S	S	.	.			trans	-83.7	87.3	167.9	-65.4	177.1	0	0	0	107.9	L44	L44-L46 HydrophobicContact CD1-CD2 4.25Å; L44-L46 HydrophobicContact CD2-CD2 4.32Å; L44-L46 HydrophobicContact CD2-CG 4.29Å; L44-L46 HydrophobicContact CG-CD2 4.27Å; L44-L46 HydrophobicContact CG-CG 4.22Å
47	G	50.6	Low	62.3	Low	61 Å²	61	110.6 Å²	110.6	63%	0.629	55%	0.55	S	S	*	.			trans	-70.6	126.8	173.7	0	0	0	0	0	111	R45 H49	R45-G47 PolarHBondContact O-N 3.41Å; G47-H49 PolarHBondContact O-N 2.99Å; G47-H49 VanDerWaalsContact O-N 3.12Å
48	G	42.3	Very low	60.3	Low	78 Å²	78	114.4 Å²	114.4	80%	0.804	58%	0.578	S	S	*	*			trans	-64.2	106.9	169.3	0	0	0	0	0	110.4
49	H	39.9	Very low	58.8	Low	170 Å²	170	115.8 Å²	115.8	79%	0.787	59%	0.589	S	S	*	*			trans	-103.5	88.3	165.7	-84.4	16.3	0	0	0	108.9	G47 G51	G47-H49 PolarHBondContact O-N 2.99Å; G47-H49 VanDerWaalsContact O-N 3.12Å; H49-G51 PolarHBondContact O-N 2.87Å
50	R	41.9	Very low	58.4	Low	257 Å²	257	112.6 Å²	112.6	97%	0.97	59%	0.587	S	S	*	*			trans	-68.1	106.3	143.5	-89.6	-175.2	172.5	178.8	-2.3	106.3
51	G	42.6	Very low	58.2	Low	62 Å²	62	111.5 Å²	111.5	64%	0.639	59%	0.594	S	S	*	*			trans	95.7	102.5	165.6	0	0	0	0	0	115	H49	H49-G51 PolarHBondContact O-N 2.87Å
52	S	35.9	Very low	58	Low	107 Å²	107	112.8 Å²	112.8	75%	0.748	60%	0.601	S	S	*	*				173	109.2	119.3	-167.7	0	0	0	0	109.5	R54	S52-R54 PolarHBondContact O-N 2.63Å; S52-R54 VanDerWaalsContact O-N 3.11Å
53	T	44.8	Very low	58	Low	142 Å²	142	115.4 Å²	115.4	87%	0.871	61%	0.613	S	S	*	*			trans	-63.9	97.8	170.6	38.6	0	0	0	0	110.8
54	R	39.3	Very low	58.2	Low	223 Å²	223	117.9 Å²	117.9	84%	0.842	62%	0.618	S	S	*	*			trans	-140.9	102.1	154.3	-93.2	-176.1	-179	161.3	1.8	110.3	S52 I56	S52-R54 PolarHBondContact O-N 2.63Å; S52-R54 VanDerWaalsContact O-N 3.11Å; R54-I56 PolarHBondContact O-N 2.74Å
55	K	41.4	Very low	58.6	Low	222 Å²	222	119.8 Å²	119.8	97%	0.965	63%	0.626	S	S	*	*			trans	-67.7	91	169.8	-79.7	179.4	174.3	176.9	0	109.6
56	I	40	Very low	59.5	Low	142 Å²	142	109.4 Å²	109.4	73%	0.728	59%	0.587	S	S	*	*			trans	-107.6	136.2	147.6	-64.5	174	0	0	0	104.9	R54 S58	R54-I56 PolarHBondContact O-N 2.74Å; I56-S58 PolarHBondContact O-N 2.91Å
57	R	41.1	Very low	60.9	Low	262 Å²	262	109.3 Å²	109.3	99%	0.989	58%	0.581	S	S	*	*			trans	-67.5	57	-179.6	-69.9	176.6	164.8	152.1	-5.8	111.8
58	S	49.9	Very low	62.9	Low	90 Å²	90	109.7 Å²	109.7	63%	0.629	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-81.1	129.2	172.5	60.6	0	0	0	0	109.4	I56	I56-S58 PolarHBondContact O-N 2.91Å
59	A	60.8	Low	65.4	Low	29 Å²	29	106 Å²	106	24%	0.24	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-46.7	139.8	169.5	0	0	0	0	0	110.8	E63 Q64	A59-E63 VanDerWaalsContact CA-OE2 3.27Å; A59-E63 WeakPolarHBondContact CA-OE2 3.49Å; A59-E63 HydrophobicContact CB-CB 4.25Å; A59-E63 HydrophobicContact CB-CG 4.11Å; A59-E63 VanDerWaalsContact CB-OE2 3.3Å; A59-E63 WeakPolarHBondContact CB-OE2 3.36Å; A59-Q64 HydrophobicContact CB-CG 3.9Å; A59-Q64 PolarHBondContact O-NE2 2.95Å
60	S	80.9	Confident	68	Low	65 Å²	65	97.9 Å²	97.9	46%	0.455	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-59.3	152.6	178.7	73.6	0	0	0	0	110.4	M62 E63 Q64	S60-M62 PolarHBondContact O-N 3.1Å; S60-M62 VanDerWaalsContact O-N 3.1Å; S60-E63 PolarHBondContact N-OE2 3.16Å; S60-E63 WeakPolarHBondContact O-CB 3.43Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.48Å; S60-E63 PolarHBondContact OG-N 3.18Å; S60-Q64 PolarHBondContact O-N 2.8Å
61	A	84.9	Confident	70.3	Confident	50 Å²	50	88.5 Å²	88.5	41%	0.413	46%	0.459	S	S	.	.	H	α-helix	trans	-54.8	-33	176.8	0	0	0	0	0	112	L44 K65	L44-A61 HydrophobicContact CD1-CB 4.15Å; A61-K65 WeakPolarHBondContact O-CG 3.28Å; A61-K65 PolarHBondContact O-N 3.29Å
62	M	86.3	Confident	72.5	Confident	36 Å²	36	86 Å²	86	18%	0.177	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-49.4	174.6	-173.5	167.4	177.5	0	0	111.6	A34 K35 L38 S60 Q64 K65 V66 L81	A34-M62 HydrophobicContact CB-CE 3.99Å; K35-M62 HydrophobicContact CG-CE 3.91Å; K35-M62 HydrophobicContact CG-SD 3.96Å; L38-M62 HydrophobicContact CD1-CE 4.44Å; L38-M62 HydrophobicContact CD1-CG 3.95Å; S60-M62 PolarHBondContact O-N 3.1Å; S60-M62 VanDerWaalsContact O-N 3.1Å; M62-Q64 VanDerWaalsContact C-N 3.3Å; M62-Q64 PolarHBondContact O-N 3.06Å; M62-K65 PolarHBondContact O-N 3.33Å; M62-K65 VanDerWaalsContact O-N 3.09Å; M62-V66 HydrophobicContact CG-CG2 4.49Å; M62-V66 WeakPolarHBondContact O-CG2 3.38Å; M62-V66 PolarHBondContact O-N 3.26Å; M62-L81 HydrophobicContact CE-CD1 3.79Å
63	E	89.7	Confident	75.2	Confident	55 Å²	55	81.6 Å²	81.6	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-57.1	-42.1	177.9	-174.9	-168.6	155.8	0	0	111.9	A59 S60 K65 V66 R67 G79	A59-E63 VanDerWaalsContact CA-OE2 3.27Å; A59-E63 WeakPolarHBondContact CA-OE2 3.49Å; A59-E63 HydrophobicContact CB-CB 4.25Å; A59-E63 HydrophobicContact CB-CG 4.11Å; A59-E63 VanDerWaalsContact CB-OE2 3.3Å; A59-E63 WeakPolarHBondContact CB-OE2 3.36Å; S60-E63 PolarHBondContact N-OE2 3.16Å; S60-E63 WeakPolarHBondContact O-CB 3.43Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.48Å; S60-E63 PolarHBondContact OG-N 3.18Å; E63-K65 VanDerWaalsContact C-N 3.34Å; E63-K65 PolarHBondContact O-N 2.79Å; E63-V66 PolarHBondContact O-N 3.44Å; E63-R67 WeakPolarHBondContact O-CG 3Å; E63-R67 PolarHBondContact O-N 3.3Å; E63-R67 IonicContact OE1-CZ 2.8Å; E63-R67 IonicContact OE1-NE 3.61Å; E63-R67 PolarHBondContact OE1-NE 3.12Å; E63-R67 IonicContact OE1-NH2 3.39Å; E63-R67 PolarHBondContact OE1-NH2 3.09Å; E63-G79 WeakPolarHBondContact CG-O 3.44Å
64	Q	89.8	Confident	77.4	Confident	106 Å²	106	78 Å²	78	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-41.9	176.2	-68.1	179.5	-0.7	0	0	112.1	A59 S60 M62 R67 Q68	A59-Q64 HydrophobicContact CB-CG 3.9Å; A59-Q64 PolarHBondContact O-NE2 2.95Å; S60-Q64 PolarHBondContact O-N 2.8Å; M62-Q64 VanDerWaalsContact C-N 3.3Å; M62-Q64 PolarHBondContact O-N 3.06Å; Q64-R67 PolarHBondContact O-N 3.12Å; Q64-Q68 PolarHBondContact O-N 3.32Å
65	K	91	Very high	79.9	Confident	49 Å²	49	69.5 Å²	69.5	21%	0.213	36%	0.362	C	S	.	.	H	α-helix	trans	-71.8	-31.8	177.1	-66.5	-52.6	-168.7	160.6	0	112.6	L38 Y42 L44 A61 M62 E63 Q68 M69	L38-K65 HydrophobicContact CB-CB 4.42Å; L38-K65 HydrophobicContact CD1-CB 4.25Å; L38-K65 HydrophobicContact CD2-CB 4.02Å; L38-K65 HydrophobicContact CG-CB 4.46Å; Y42-K65 WeakPolarHBondContact O-CE 3.4Å; Y42-K65 PolarHBondContact O-NZ 3.12Å; L44-K65 HydrophobicContact CB-CG 4.34Å; L44-K65 HydrophobicContact CD1-CB 4.37Å; L44-K65 HydrophobicContact CD1-CG 3.82Å; A61-K65 WeakPolarHBondContact O-CG 3.28Å; A61-K65 PolarHBondContact O-N 3.29Å; M62-K65 PolarHBondContact O-N 3.33Å; M62-K65 VanDerWaalsContact O-N 3.09Å; E63-K65 VanDerWaalsContact C-N 3.34Å; E63-K65 PolarHBondContact O-N 2.79Å; K65-Q68 PolarHBondContact O-N 3.17Å; K65-M69 WeakPolarHBondContact O-CB 3.26Å; K65-M69 PolarHBondContact O-N 3.19Å
66	V	93.7	Very high	82.3	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-46.5	170.1	174.8	0	0	0	0	110.6	L38 M62 E63 Q68 M69 Q70 G79 L81 T85	L38-V66 HydrophobicContact CD1-CG2 3.68Å; M62-V66 HydrophobicContact CG-CG2 4.49Å; M62-V66 WeakPolarHBondContact O-CG2 3.38Å; M62-V66 PolarHBondContact O-N 3.26Å; E63-V66 PolarHBondContact O-N 3.44Å; V66-Q68 VanDerWaalsContact C-N 3.3Å; V66-Q68 PolarHBondContact O-N 3.02Å; V66-M69 PolarHBondContact O-N 3.39Å; V66-Q70 HydrophobicContact CG1-CG 4.23Å; V66-Q70 WeakPolarHBondContact O-CB 3.46Å; V66-Q70 VanDerWaalsContact O-CG 3.3Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 3.04Å; V66-G79 VanDerWaalsContact CG1-C 3.48Å; V66-L81 HydrophobicContact CG1-CD2 4.36Å; V66-L81 HydrophobicContact CG2-CD2 3.77Å; V66-L81 HydrophobicContact CG2-CG 4.46Å; V66-T85 HydrophobicContact CG1-CG2 4.27Å
67	R	93.4	Very high	84.9	Confident	87 Å²	87	67.3 Å²	67.3	33%	0.328	34%	0.342	S	S	.	.	H	α-helix	trans	-58.2	-43.3	175.1	-68.4	178.6	-169	-82.3	-3.9	111.8	E63 Q64 M69 Q70 N71 E77 T78 G79	E63-R67 WeakPolarHBondContact O-CG 3Å; E63-R67 PolarHBondContact O-N 3.3Å; E63-R67 IonicContact OE1-CZ 2.8Å; E63-R67 IonicContact OE1-NE 3.61Å; E63-R67 PolarHBondContact OE1-NE 3.12Å; E63-R67 IonicContact OE1-NH2 3.39Å; E63-R67 PolarHBondContact OE1-NH2 3.09Å; Q64-R67 PolarHBondContact O-N 3.12Å; R67-M69 VanDerWaalsContact C-N 3.34Å; R67-M69 PolarHBondContact O-N 3.19Å; R67-Q70 PolarHBondContact O-N 2.04Å; R67-N71 WeakPolarHBondContact O-CB 3.3Å; R67-N71 PolarHBondContact O-N 3.28Å; R67-E77 PolarHBondContact NH1-O 3.09Å; R67-T78 PolarHBondContact NH1-O 2.84Å; R67-T78 PolarHBondContact NH2-O 2.95Å; R67-G79 VanDerWaalsContact CG-CA 3.4Å
68	Q	91.6	Very high	87.3	Confident	69 Å²	69	56.9 Å²	56.9	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-43	177.7	-168.7	174.2	23.3	0	0	111.8	Y42 Q64 K65 V66 N71 V72 V99	Y42-Q68 HydrophobicContact CD1-CB 4.18Å; Y42-Q68 HydrophobicContact CD1-CG 4.01Å; Y42-Q68 HydrophobicContact CE1-CB 4.4Å; Y42-Q68 HydrophobicContact CE1-CG 4.13Å; Q64-Q68 PolarHBondContact O-N 3.32Å; K65-Q68 PolarHBondContact O-N 3.17Å; V66-Q68 VanDerWaalsContact C-N 3.3Å; V66-Q68 PolarHBondContact O-N 3.02Å; Q68-N71 PolarHBondContact O-N 2.84Å; Q68-V72 WeakPolarHBondContact O-CG2 3.11Å; Q68-V72 PolarHBondContact O-N 2.99Å; Q68-V72 VanDerWaalsContact O-N 3.16Å; Q68-V99 HydrophobicContact CG-CG1 3.91Å; Q68-V99 VanDerWaalsContact NE2-CG1 3.33Å
69	M	94.4	Very high	89.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-47.7	175.4	179.7	-85.3	-171	0	0	111.8	Y37 L38 Y42 K65 V66 R67 N71 V72 F73 T85 V88 M89	Y37-M69 HydrophobicContact CE1-CE 3.98Å; Y37-M69 HydrophobicContact CE1-CG 3.94Å; L38-M69 HydrophobicContact CD2-CB 4.15Å; Y42-M69 HydrophobicContact CD1-CB 4.19Å; Y42-M69 HydrophobicContact CD2-CB 4.28Å; Y42-M69 HydrophobicContact CD2-CG 4.48Å; Y42-M69 HydrophobicContact CE1-CB 3.65Å; Y42-M69 HydrophobicContact CE1-CG 4.35Å; Y42-M69 HydrophobicContact CE2-CB 3.79Å; Y42-M69 HydrophobicContact CE2-CG 3.71Å; Y42-M69 VanDerWaalsContact CZ-CA 3.43Å; Y42-M69 VanDerWaalsContact CZ-CB 3.45Å; Y42-M69 WeakPolarHBondContact OH-CA 3.2Å; K65-M69 WeakPolarHBondContact O-CB 3.26Å; K65-M69 PolarHBondContact O-N 3.19Å; V66-M69 PolarHBondContact O-N 3.39Å; R67-M69 VanDerWaalsContact C-N 3.34Å; R67-M69 PolarHBondContact O-N 3.19Å; M69-N71 VanDerWaalsContact C-N 3.27Å; M69-N71 PolarHBondContact O-N 2.98Å; M69-V72 PolarHBondContact O-N 2.86Å; M69-V72 VanDerWaalsContact O-N 3.09Å; M69-F73 HydrophobicContact CE-CD2 3.85Å; M69-F73 HydrophobicContact CE-CE2 4.02Å; M69-F73 HydrophobicContact CE-CG 4.5Å; M69-F73 HydrophobicContact CG-CD2 4.01Å; M69-F73 HydrophobicContact CG-CE2 4.19Å; M69-F73 WeakPolarHBondContact O-CD2 3.35Å; M69-F73 PolarHBondContact O-N 2.9Å; M69-F73 HydrophobicContact SD-CD2 4.02Å; M69-T85 HydrophobicContact SD-CG2 4.14Å; M69-V88 HydrophobicContact CE-CB 3.97Å; M69-V88 HydrophobicContact CE-CG1 3.51Å; M69-M89 HydrophobicContact CE-CE 3.9Å; M69-M89 HydrophobicContact CE-CG 3.46Å; M69-M89 VanDerWaalsContact CE-CG 3.46Å; M69-M89 HydrophobicContact CG-CE 4.14Å; M69-M89 HydrophobicContact SD-CE 3.88Å
70	Q	94.6	Very high	90.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.7	-42.5	176.4	-74.2	169.7	-27.8	0	0	111.8	V66 R67 F73 G74 L75 R76 T78 I80 T85	V66-Q70 HydrophobicContact CG1-CG 4.23Å; V66-Q70 WeakPolarHBondContact O-CB 3.46Å; V66-Q70 VanDerWaalsContact O-CG 3.3Å; V66-Q70 WeakPolarHBondContact O-CG 3.39Å; V66-Q70 PolarHBondContact O-N 3.04Å; R67-Q70 PolarHBondContact O-N 2.04Å; Q70-F73 CarbonylContact O-C 3.54Å; Q70-F73 PolarHBondContact O-N 2.81Å; Q70-G74 PolarHBondContact O-N 2.76Å; Q70-L75 HydrophobicContact CB-CB 3.92Å; Q70-L75 HydrophobicContact CG-CB 4.07Å; Q70-L75 HydrophobicContact CG-CD1 4.25Å; Q70-L75 PolarHBondContact O-N 3.18Å; Q70-R76 PolarHBondContact OE1-O 3.02Å; Q70-T78 PolarHBondContact NE2-OG1 3.3Å; Q70-I80 PolarHBondContact NE2-O 2.92Å; Q70-T85 HydrophobicContact CG-CG2 4.44Å; Q70-T85 PolarHBondContact NE2-OG1 3.22Å
71	N	91.2	Very high	91.2	Very high	60 Å²	60	54.7 Å²	54.7	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-46.2	175.4	-174.1	-5.3	0	0	0	112.6	R67 Q68 M69 F73 G74 E77 R232	R67-N71 WeakPolarHBondContact O-CB 3.3Å; R67-N71 PolarHBondContact O-N 3.28Å; Q68-N71 PolarHBondContact O-N 2.84Å; M69-N71 VanDerWaalsContact C-N 3.27Å; M69-N71 PolarHBondContact O-N 2.98Å; N71-F73 VanDerWaalsContact C-N 3.26Å; N71-F73 PolarHBondContact O-N 2.85Å; N71-G74 PolarHBondContact O-N 2.93Å; N71-G74 VanDerWaalsContact O-N 3.16Å; N71-E77 HydrophobicContact CB-CG 4.04Å; N71-E77 PolarHBondContact ND2-OE1 3.39Å; N71-R232 PolarHBondContact OD1-NH1 3.02Å
72	V	89	Confident	91.4	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.055	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-39.9	178	169.8	0	0	0	0	111.5	Y42 Q68 M69 D98 V99	Y42-V72 HydrophobicContact CE1-CG2 4.25Å; Q68-V72 WeakPolarHBondContact O-CG2 3.11Å; Q68-V72 PolarHBondContact O-N 2.99Å; Q68-V72 VanDerWaalsContact O-N 3.16Å; M69-V72 PolarHBondContact O-N 2.86Å; M69-V72 VanDerWaalsContact O-N 3.09Å; V72-D98 HydrophobicContact CG1-CB 4.32Å; V72-V99 HydrophobicContact CG2-CG1 4.25Å
73	F	91.7	Very high	91.7	Very high	15 Å²	15	55 Å²	55	7%	0.066	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-179	-74.2	-86	0	0	0	114.2	Y37 M69 Q70 N71 L75 V88 F239 P240 S241	Y37-F73 WeakPolarHBondContact OH-CE2 3.5Å; Y37-F73 WeakPolarHBondContact OH-CZ 3.45Å; M69-F73 HydrophobicContact CE-CD2 3.85Å; M69-F73 HydrophobicContact CE-CE2 4.02Å; M69-F73 HydrophobicContact CE-CG 4.5Å; M69-F73 HydrophobicContact CG-CD2 4.01Å; M69-F73 HydrophobicContact CG-CE2 4.19Å; M69-F73 WeakPolarHBondContact O-CD2 3.35Å; M69-F73 PolarHBondContact O-N 2.9Å; M69-F73 HydrophobicContact SD-CD2 4.02Å; Q70-F73 CarbonylContact O-C 3.54Å; Q70-F73 PolarHBondContact O-N 2.81Å; N71-F73 VanDerWaalsContact C-N 3.26Å; N71-F73 PolarHBondContact O-N 2.85Å; F73-L75 HydrophobicContact CB-CD1 4.45Å; F73-L75 HydrophobicContact CB-CG 4.19Å; F73-L75 PolarHBondContact O-N 3.41Å; F73-V88 HydrophobicContact CB-CG1 4.22Å; F73-V88 HydrophobicContact CD1-CG1 3.32Å; F73-V88 HydrophobicContact CD2-CG1 3.99Å; F73-V88 HydrophobicContact CE1-CG1 3.56Å; F73-V88 HydrophobicContact CE2-CG1 4.17Å; F73-V88 HydrophobicContact CG-CG1 3.57Å; F73-V88 HydrophobicContact CZ-CG1 3.98Å; F73-F239 HydrophobicContact CD1-CE1 4.08Å; F73-F239 HydrophobicContact CD1-CE2 4.24Å; F73-F239 AromaticContact CD1-CZ 3.51Å; F73-F239 HydrophobicContact CD1-CZ 3.51Å; F73-F239 HydrophobicContact CE1-CE1 4.06Å; F73-F239 AromaticContact CE1-CZ 3.89Å; F73-F239 HydrophobicContact CE1-CZ 3.89Å; F73-P240 HydrophobicContact CE1-CB 4.28Å; F73-P240 HydrophobicContact CE1-CG 4.25Å; F73-P240 HydrophobicContact CZ-CB 3.92Å; F73-P240 HydrophobicContact CZ-CG 3.96Å; F73-S241 WeakPolarHBondContact CE1-OG 3.42Å
74	G	90.6	Very high	91.8	Very high	67 Å²	67	56.9 Å²	56.9	69%	0.691	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	21.1	179.6	0	0	0	0	0	114.6	Q70 N71	Q70-G74 PolarHBondContact O-N 2.76Å; N71-G74 PolarHBondContact O-N 2.93Å; N71-G74 VanDerWaalsContact O-N 3.16Å
75	L	92.4	Very high	91.9	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.236	27%	0.268	C	S	.	.			trans	-81.3	165	173.7	-56.3	178.8	0	0	0	110.7	Q70 F73 E77 N84 V88	Q70-L75 HydrophobicContact CB-CB 3.92Å; Q70-L75 HydrophobicContact CG-CB 4.07Å; Q70-L75 HydrophobicContact CG-CD1 4.25Å; Q70-L75 PolarHBondContact O-N 3.18Å; F73-L75 HydrophobicContact CB-CD1 4.45Å; F73-L75 HydrophobicContact CB-CG 4.19Å; F73-L75 PolarHBondContact O-N 3.41Å; L75-E77 PolarHBondContact O-N 2.94Å; L75-N84 HydrophobicContact CD2-CB 4.44Å; L75-V88 HydrophobicContact CD1-CG2 4.15Å
76	R	92.3	Very high	92.1	Very high	215 Å²	215	49.8 Å²	49.8	81%	0.811	26%	0.259	S	S	*	.			trans	-64.3	126.4	170.6	-69.4	-175	179.1	-166.3	1.1	109.2	Q70 T78	Q70-R76 PolarHBondContact OE1-O 3.02Å; R76-T78 HydrophobicContact CB-CG2 4.04Å; R76-T78 PolarHBondContact O-N 2.82Å
77	E	93.4	Very high	92	Very high	102 Å²	102	54 Å²	54	48%	0.477	28%	0.281	S	S	.	.			trans	-73.4	66.7	179.9	-62.3	-175.7	-143.6	0	0	111.9	R67 N71 L75	R67-E77 PolarHBondContact NH1-O 3.09Å; N71-E77 HydrophobicContact CB-CG 4.04Å; N71-E77 PolarHBondContact ND2-OE1 3.39Å; L75-E77 PolarHBondContact O-N 2.94Å
78	T	92.2	Very high	92	Very high	44 Å²	44	50.5 Å²	50.5	27%	0.27	27%	0.27	S	S	.	.			trans	-79.5	-28.9	-179.7	61.9	0	0	0	0	112.3	R67 Q70 R76 I80 D82	R67-T78 PolarHBondContact NH1-O 2.84Å; R67-T78 PolarHBondContact NH2-O 2.95Å; Q70-T78 PolarHBondContact NE2-OG1 3.3Å; R76-T78 HydrophobicContact CB-CG2 4.04Å; R76-T78 PolarHBondContact O-N 2.82Å; T78-I80 PolarHBondContact O-N 2.63Å; T78-I80 PolarHBondContact OG1-N 2.9Å; T78-I80 PolarHBondContact OG1-O 3.28Å; T78-D82 PolarHBondContact OG1-OD2 2.95Å
79	G	90.9	Very high	92.1	Very high	8 Å²	8	47.6 Å²	47.6	8%	0.082	26%	0.256	C	S	.	.			trans	74.5	5.5	-169.9	0	0	0	0	0	113.8	E63 V66 R67	E63-G79 WeakPolarHBondContact CG-O 3.44Å; V66-G79 VanDerWaalsContact CG1-C 3.48Å; R67-G79 VanDerWaalsContact CG-CA 3.4Å
80	I	91.4	Very high	92.1	Very high	111 Å²	111	52.9 Å²	52.9	57%	0.569	28%	0.28	S	S	*	.	S	Bend	trans	-106.5	143.5	-177.1	-58.3	168.9	0	0	0	108.3	Q70 T78 D82	Q70-I80 PolarHBondContact NE2-O 2.92Å; T78-I80 PolarHBondContact O-N 2.63Å; T78-I80 PolarHBondContact OG1-N 2.9Å; T78-I80 PolarHBondContact OG1-O 3.28Å; I80-D82 PolarHBondContact O-N 2.86Å
81	L	90.4	Very high	92	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.099	30%	0.301	C	S	.	.			trans	-77.4	70.8	171.3	-63.3	177.8	0	0	0	109.6	L26 A34 M62 V66 T85 M86 M89	L26-L81 HydrophobicContact CD1-CB 3.71Å; L26-L81 HydrophobicContact CD1-CD1 4.41Å; L26-L81 WeakPolarHBondContact CD1-O 3.48Å; L26-L81 HydrophobicContact CD2-CB 4.1Å; L26-L81 WeakPolarHBondContact CD2-O 3.42Å; A34-L81 HydrophobicContact CB-CD1 3.5Å; A34-L81 VanDerWaalsContact CB-CD1 3.5Å; A34-L81 HydrophobicContact CB-CD2 3.74Å; A34-L81 HydrophobicContact CB-CG 4.28Å; M62-L81 HydrophobicContact CE-CD1 3.79Å; V66-L81 HydrophobicContact CG1-CD2 4.36Å; V66-L81 HydrophobicContact CG2-CD2 3.77Å; V66-L81 HydrophobicContact CG2-CG 4.46Å; L81-T85 HydrophobicContact CD2-CG2 4.03Å; L81-M86 HydrophobicContact CB-CG 4.36Å; L81-M86 HydrophobicContact CB-SD 4.02Å; L81-M86 HydrophobicContact CD1-SD 4.24Å; L81-M86 HydrophobicContact CD2-SD 4.06Å; L81-M86 HydrophobicContact CG-SD 4.33Å; L81-M89 HydrophobicContact CD2-CE 3.95Å; L81-M89 HydrophobicContact CD2-SD 4.07Å
82	D	90.3	Very high	92.3	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.241	30%	0.297	C	S	.	.			trans	-72.7	169	171.7	56.7	36.8	0	0	0	111.6	T78 I80 N84 T85 M86	T78-D82 PolarHBondContact OG1-OD2 2.95Å; I80-D82 PolarHBondContact O-N 2.86Å; D82-N84 VanDerWaalsContact C-N 3.28Å; D82-N84 PolarHBondContact O-N 3.34Å; D82-T85 WeakPolarHBondContact O-CB 3.4Å; D82-T85 PolarHBondContact O-N 3.31Å; D82-T85 VanDerWaalsContact O-N 3.07Å; D82-T85 VanDerWaalsContact OD1-CB 3.23Å; D82-T85 WeakPolarHBondContact OD1-CB 3.45Å; D82-T85 PolarHBondContact OD1-N 2.68Å; D82-T85 PolarHBondContact OD1-OG1 2.89Å; D82-M86 PolarHBondContact O-N 3.43Å
83	S	90.8	Very high	92.6	Very high	47 Å²	47	56.5 Å²	56.5	33%	0.329	30%	0.295	S	S	.	.	H	α-helix	trans	-53.1	-45.7	-179.5	52.6	0	0	0	0	112	T85 M86 D87	S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 2.59Å; S83-M86 PolarHBondContact O-N 3.01Å; S83-D87 WeakPolarHBondContact O-CB 3.49Å; S83-D87 VanDerWaalsContact O-CG 3.23Å; S83-D87 PolarHBondContact O-N 2.85Å
84	N	91.7	Very high	92.8	Very high	95 Å²	95	56 Å²	56	51%	0.508	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-41.4	177.5	-65.5	-46.9	0	0	0	112.5	L75 D82 V88	L75-N84 HydrophobicContact CD2-CB 4.44Å; D82-N84 VanDerWaalsContact C-N 3.28Å; D82-N84 PolarHBondContact O-N 3.34Å; N84-V88 WeakPolarHBondContact O-CG2 3.19Å; N84-V88 PolarHBondContact O-N 3.02Å
85	T	93.2	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-44.6	177	-59.4	0	0	0	0	110.8	V66 M69 Q70 L81 D82 S83 V88 M89	V66-T85 HydrophobicContact CG1-CG2 4.27Å; M69-T85 HydrophobicContact SD-CG2 4.14Å; Q70-T85 HydrophobicContact CG-CG2 4.44Å; Q70-T85 PolarHBondContact NE2-OG1 3.22Å; L81-T85 HydrophobicContact CD2-CG2 4.03Å; D82-T85 WeakPolarHBondContact O-CB 3.4Å; D82-T85 PolarHBondContact O-N 3.31Å; D82-T85 VanDerWaalsContact O-N 3.07Å; D82-T85 VanDerWaalsContact OD1-CB 3.23Å; D82-T85 WeakPolarHBondContact OD1-CB 3.45Å; D82-T85 PolarHBondContact OD1-N 2.68Å; D82-T85 PolarHBondContact OD1-OG1 2.89Å; S83-T85 VanDerWaalsContact C-N 3.34Å; S83-T85 PolarHBondContact O-N 2.59Å; T85-V88 PolarHBondContact O-N 3.03Å; T85-M89 HydrophobicContact CG2-CE 3.81Å; T85-M89 HydrophobicContact CG2-SD 4.39Å; T85-M89 WeakPolarHBondContact O-CG 2.81Å; T85-M89 PolarHBondContact O-N 2.81Å
86	M	93.9	Very high	93	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-38.7	178.8	-69.3	-53.4	-52.2	0	0	112.5	L26 D30 L33 A34 L81 D82 S83 V88 M89 K90	L26-M86 HydrophobicContact CD2-CG 3.79Å; L26-M86 HydrophobicContact CD2-SD 4.27Å; D30-M86 HydrophobicContact CB-CE 3.72Å; L33-M86 HydrophobicContact CD2-CE 4.06Å; A34-M86 HydrophobicContact CB-SD 4.37Å; L81-M86 HydrophobicContact CB-CG 4.36Å; L81-M86 HydrophobicContact CB-SD 4.02Å; L81-M86 HydrophobicContact CD1-SD 4.24Å; L81-M86 HydrophobicContact CD2-SD 4.06Å; L81-M86 HydrophobicContact CG-SD 4.33Å; D82-M86 PolarHBondContact O-N 3.43Å; S83-M86 PolarHBondContact O-N 3.01Å; M86-V88 VanDerWaalsContact C-N 3.25Å; M86-V88 PolarHBondContact O-N 3.11Å; M86-M89 PolarHBondContact O-N 2.62Å; M86-M89 HydrophobicContact SD-SD 4.29Å; M86-K90 WeakPolarHBondContact O-CB 3.32Å; M86-K90 VanDerWaalsContact O-CG 3.31Å; M86-K90 WeakPolarHBondContact O-CG 3.37Å; M86-K90 PolarHBondContact O-N 2.95Å
87	D	92.6	Very high	92.9	Very high	89 Å²	89	43.3 Å²	43.3	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-36.2	175.3	-75.5	-12.2	0	0	0	111.8	S83 K91	S83-D87 WeakPolarHBondContact O-CB 3.49Å; S83-D87 VanDerWaalsContact O-CG 3.23Å; S83-D87 PolarHBondContact O-N 2.85Å; D87-K91 WeakPolarHBondContact O-CG 3.32Å
88	V	93.1	Very high	92.6	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-72.5	-43.3	173.7	173.9	0	0	0	0	111.4	M69 F73 L75 N84 T85 M86 K90 K91	M69-V88 HydrophobicContact CE-CB 3.97Å; M69-V88 HydrophobicContact CE-CG1 3.51Å; F73-V88 HydrophobicContact CB-CG1 4.22Å; F73-V88 HydrophobicContact CD1-CG1 3.32Å; F73-V88 HydrophobicContact CD2-CG1 3.99Å; F73-V88 HydrophobicContact CE1-CG1 3.56Å; F73-V88 HydrophobicContact CE2-CG1 4.17Å; F73-V88 HydrophobicContact CG-CG1 3.57Å; F73-V88 HydrophobicContact CZ-CG1 3.98Å; L75-V88 HydrophobicContact CD1-CG2 4.15Å; N84-V88 WeakPolarHBondContact O-CG2 3.19Å; N84-V88 PolarHBondContact O-N 3.02Å; T85-V88 PolarHBondContact O-N 3.03Å; M86-V88 VanDerWaalsContact C-N 3.25Å; M86-V88 PolarHBondContact O-N 3.11Å; V88-K90 PolarHBondContact O-N 2.84Å; V88-K91 PolarHBondContact O-N 3.44Å
89	M	93.9	Very high	91.7	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-27.4	179.6	-73.4	-174.9	-179.9	0	0	113.6	A34 Y37 L38 M69 L81 T85 M86	A34-M89 HydrophobicContact CB-SD 3.73Å; Y37-M89 HydrophobicContact CD1-CE 4.16Å; Y37-M89 HydrophobicContact CD1-CG 3.99Å; Y37-M89 HydrophobicContact CD1-SD 4.31Å; Y37-M89 HydrophobicContact CD2-CB 4.02Å; Y37-M89 HydrophobicContact CD2-CG 4.09Å; Y37-M89 HydrophobicContact CE1-CG 4.12Å; Y37-M89 HydrophobicContact CE2-CB 4.19Å; Y37-M89 HydrophobicContact CE2-CG 4.2Å; Y37-M89 HydrophobicContact CG-CB 4.33Å; Y37-M89 HydrophobicContact CG-CG 3.97Å; Y37-M89 HydrophobicContact CG-SD 4.33Å; L38-M89 HydrophobicContact CD2-CE 4.02Å; L38-M89 HydrophobicContact CG-CE 4.3Å; M69-M89 HydrophobicContact CE-CE 3.9Å; M69-M89 HydrophobicContact CE-CG 3.46Å; M69-M89 VanDerWaalsContact CE-CG 3.46Å; M69-M89 HydrophobicContact CG-CE 4.14Å; M69-M89 HydrophobicContact SD-CE 3.88Å; L81-M89 HydrophobicContact CD2-CE 3.95Å; L81-M89 HydrophobicContact CD2-SD 4.07Å; T85-M89 HydrophobicContact CG2-CE 3.81Å; T85-M89 HydrophobicContact CG2-SD 4.39Å; T85-M89 WeakPolarHBondContact O-CG 2.81Å; T85-M89 PolarHBondContact O-N 2.81Å; M86-M89 PolarHBondContact O-N 2.62Å; M86-M89 HydrophobicContact SD-SD 4.29Å
90	K	93.9	Very high	90.1	Very high	112 Å²	112	44.3 Å²	44.3	49%	0.487	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.6	178.7	-72.3	171.5	-178.7	178.7	0	113.9	D30 L33 M86 V88	D30-K90 WeakPolarHBondContact OD1-CE 3.46Å; D30-K90 IonicContact OD1-NZ 3.51Å; D30-K90 PolarHBondContact OD1-NZ 2.86Å; L33-K90 HydrophobicContact CD2-CD 4.44Å; L33-K90 HydrophobicContact CD2-CG 3.55Å; M86-K90 WeakPolarHBondContact O-CB 3.32Å; M86-K90 VanDerWaalsContact O-CG 3.31Å; M86-K90 WeakPolarHBondContact O-CG 3.37Å; M86-K90 PolarHBondContact O-N 2.95Å; V88-K90 PolarHBondContact O-N 2.84Å
91	K	94	Very high	87.9	Confident	105 Å²	105	43.9 Å²	43.9	46%	0.457	24%	0.236	S	C	.	.	S	Bend	trans	-72.7	139.5	180	-80	169.1	-170.5	177	0	111	D87 V88	D87-K91 WeakPolarHBondContact O-CG 3.32Å; V88-K91 PolarHBondContact O-N 3.44Å
92	P	95.9	Very high	85.7	Confident	34 Å²	34	47.1 Å²	47.1	22%	0.221	25%	0.247	C	C	.	.			trans	-56.1	142.9	168.8	-22.3	32.6	0	0	0	111	G181 L183 F212 Y242	P92-G181 CarbonylContact C-O 3.45Å; P92-G181 VanDerWaalsContact CA-O 3.28Å; P92-G181 WeakPolarHBondContact CA-O 3.35Å; P92-L183 HydrophobicContact CB-CD1 4.08Å; P92-L183 HydrophobicContact CB-CD2 3.95Å; P92-L183 HydrophobicContact CB-CG 4.08Å; P92-F212 HydrophobicContact CB-CE1 3.71Å; P92-F212 HydrophobicContact CB-CZ 3.98Å; P92-F212 HydrophobicContact CG-CE1 3.8Å; P92-F212 HydrophobicContact CG-CZ 3.82Å; P92-Y242 WeakPolarHBondContact O-CB 3.06Å; P92-Y242 PolarHBondContact O-N 3Å
93	R	95.8	Very high	83.2	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	172.9	-170.3	62.1	162.3	-69.8	162.2	5.6	113.2	Y37 F41 V96 D98 G181 V182 L183 H230 P240	Y37-R93 PolarHBondContact OH-NH1 2.81Å; F41-R93 VanDerWaalsContact CD1-CZ 3.47Å; F41-R93 HydrophobicContact CZ-CG 4.25Å; R93-V96 PolarHBondContact NH2-O 2.87Å; R93-D98 IonicContact CZ-OD1 2.71Å; R93-D98 IonicContact CZ-OD2 3.57Å; R93-D98 IonicContact NH1-OD1 3.69Å; R93-D98 PolarHBondContact NH1-OD1 3.02Å; R93-D98 IonicContact NH1-OD2 2.99Å; R93-D98 PolarHBondContact NH1-OD2 2.81Å; R93-D98 IonicContact NH2-OD1 3.62Å; R93-D98 PolarHBondContact NH2-OD1 2.97Å; R93-D98 IonicContact NH2-OD2 3.69Å; R93-G181 PolarHBondContact N-O 3Å; R93-V182 WeakPolarHBondContact O-CA 3.5Å; R93-L183 PolarHBondContact O-N 2.68Å; R93-H230 PolarHBondContact NH2-CE1 3.12Å; R93-H230 VanDerWaalsContact NH2-CE1 3.34Å; R93-P240 CarbonylContact C-O 3.53Å; R93-P240 VanDerWaalsContact CA-O 3.25Å; R93-P240 WeakPolarHBondContact CA-O 3.31Å; R93-P240 WeakPolarHBondContact CB-O 3.07Å
94	C	96.9	Very high	80.7	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.5	167.1	177.2	0	0	0	0	111.6	F41 V96 H220 E221 H230 P240	F41-C94 WeakPolarHBondContact CE1-O 3.49Å; C94-V96 VanDerWaalsContact C-N 3.3Å; C94-V96 PolarHBondContact O-N 3.32Å; C94-V96 VanDerWaalsContact SG-CB 3.58Å; C94-V96 VanDerWaalsContact SG-CG2 3.59Å; C94-V96 PolarHBondContact SG-N 2.79Å; C94-H220 VanDerWaalsContact CB-NE2 3.32Å; C94-H220 WeakPolarHBondContact CB-NE2 3.25Å; C94-E221 WeakPolarHBondContact CB-OE1 3.46Å; C94-E221 PolarHBondContact SG-OE1 3.32Å; C94-E221 PolarHBondContact SG-OE2 2.97Å; C94-E221 VanDerWaalsContact SG-OE2 3.37Å; C94-H230 WeakPolarHBondContact CB-NE2 3.25Å; C94-P240 PolarHBondContact N-O 3.2Å
95	G	94.6	Very high	78.2	Confident	10 Å²	10	57.8 Å²	57.8	10%	0.103	29%	0.285	C	S	.	.	S	Bend	trans	-76.5	-9.9	179	0	0	0	0	0	115.3	A184	G95-A184 PolarHBondContact N-O 2.74Å
96	V	91.9	Very high	75.7	Confident	7 Å²	7	63 Å²	63	4%	0.042	32%	0.319	C	S	.	.	S	Bend	trans	-72.6	137.8	-179.9	172.3	0	0	0	0	111	F41 R93 C94 Y102 H185 H230	F41-V96 WeakPolarHBondContact CD1-O 3.46Å; R93-V96 PolarHBondContact NH2-O 2.87Å; C94-V96 VanDerWaalsContact C-N 3.3Å; C94-V96 PolarHBondContact O-N 3.32Å; C94-V96 VanDerWaalsContact SG-CB 3.58Å; C94-V96 VanDerWaalsContact SG-CG2 3.59Å; C94-V96 PolarHBondContact SG-N 2.79Å; V96-Y102 HydrophobicContact CG1-CE2 3.98Å; V96-H185 HydrophobicContact CG2-CB 4.22Å; V96-H230 PolarHBondContact O-CE1 2.87Å
97	P	90.1	Very high	73.7	Confident	43 Å²	43	71.7 Å²	71.7	28%	0.279	35%	0.353	S	S	.	.			trans	-62.4	145.3	175.4	-25	34.9	0	0	0	114.2
98	D	87.1	Confident	72.3	Confident	25 Å²	25	74.7 Å²	74.7	13%	0.134	36%	0.364	C	S	.	.	S	Bend	trans	-83.6	-24.3	-178.9	-63.4	-27.1	0	0	0	112.9	F41 Y42 V72 R93 H230	F41-D98 PolarHBondContact O-N 3.1Å; Y42-D98 HydrophobicContact CE1-CB 4.08Å; Y42-D98 HydrophobicContact CE2-CB 3.98Å; Y42-D98 WeakPolarHBondContact CE2-OD2 3.44Å; Y42-D98 VanDerWaalsContact OH-CB 3.31Å; Y42-D98 WeakPolarHBondContact OH-CB 3.41Å; Y42-D98 PolarHBondContact OH-OD2 3.31Å; V72-D98 HydrophobicContact CG1-CB 4.32Å; R93-D98 IonicContact CZ-OD1 2.71Å; R93-D98 IonicContact CZ-OD2 3.57Å; R93-D98 IonicContact NH1-OD1 3.69Å; R93-D98 PolarHBondContact NH1-OD1 3.02Å; R93-D98 IonicContact NH1-OD2 2.99Å; R93-D98 PolarHBondContact NH1-OD2 2.81Å; R93-D98 IonicContact NH2-OD1 3.62Å; R93-D98 PolarHBondContact NH2-OD1 2.97Å; R93-D98 IonicContact NH2-OD2 3.69Å; D98-H230 IonicContact OD1-CE1 3.68Å; D98-H230 PolarHBondContact OD1-CE1 3.01Å; D98-H230 IonicContact OD1-CG 2.73Å; D98-H230 IonicContact OD1-ND1 3.02Å; D98-H230 PolarHBondContact OD1-ND1 3.4Å
99	V	73.4	Confident	71.4	Confident	20 Å²	20	75.4 Å²	75.4	12%	0.121	37%	0.369	C	S	.	.	S	Bend	trans	-134.1	115.7	-176.3	-61.2	0	0	0	0	110.2	F41 Y42 Q68 V72	F41-V99 PolarHBondContact O-N 2.8Å; Y42-V99 VanDerWaalsContact CA-CG2 3.48Å; Y42-V99 HydrophobicContact CD1-CB 4.35Å; Y42-V99 HydrophobicContact CD1-CG1 3.95Å; Y42-V99 HydrophobicContact CD1-CG2 3.38Å; Y42-V99 HydrophobicContact CE1-CG1 3.8Å; Y42-V99 HydrophobicContact CE1-CG2 4.05Å; Y42-V99 HydrophobicContact CG-CG2 3.87Å; Q68-V99 HydrophobicContact CG-CG1 3.91Å; Q68-V99 VanDerWaalsContact NE2-CG1 3.33Å; V72-V99 HydrophobicContact CG2-CG1 4.25Å
100	D	57.5	Low	71.1	Confident	130 Å²	130	80.4 Å²	80.4	70%	0.695	39%	0.391	S	S	*	.	S	Bend	trans	20.5	111	174.5	-80.9	-52	0	0	0	119.4	S103	D100-S103 PolarHBondContact OD1-OG 2.79Å
101	N	44.4	Very low	71	Confident	103 Å²	103	76.6 Å²	76.6	55%	0.551	37%	0.373	S	S	*	.	S	Bend		-158.7	34.1	128.8	-150.6	21.9	0	0	0	113
102	Y	43.7	Very low	70.8	Confident	86 Å²	86	82.1 Å²	82.1	34%	0.337	40%	0.397	S	S	.	.			trans	-98.2	5.1	162.6	-78.4	-77.6	0	0	0	112	V96 F104 A186 Q188	V96-Y102 HydrophobicContact CG1-CE2 3.98Å; Y102-F104 PolarHBondContact O-N 2.92Å; Y102-A186 PolarHBondContact OH-O 3.2Å; Y102-Q188 HydrophobicContact CD1-CB 3.93Å; Y102-Q188 HydrophobicContact CD1-CG 3.35Å; Y102-Q188 HydrophobicContact CD2-CG 4.27Å; Y102-Q188 HydrophobicContact CE1-CB 4.15Å; Y102-Q188 HydrophobicContact CE1-CG 3.7Å; Y102-Q188 HydrophobicContact CG-CG 3.66Å
103	S	39.2	Very low	70.4	Confident	62 Å²	62	85.3 Å²	85.3	43%	0.434	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	8.2	178.7	9.2	0	0	0	0	113.6	D100 Y105	D100-S103 PolarHBondContact OD1-OG 2.79Å; S103-Y105 PolarHBondContact O-N 2.81Å
104	F	36.9	Very low	70.1	Confident	172 Å²	172	91.5 Å²	91.5	75%	0.754	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	5.2	166.6	-95.3	-81.9	0	0	0	114	Y102	Y102-F104 PolarHBondContact O-N 2.92Å
105	Y	40.8	Very low	70	Confident	177 Å²	177	94 Å²	94	69%	0.694	45%	0.451	S	S	*	.	S	Bend	trans	-130.2	116.5	154.6	-77.7	-84.4	0	0	0	109.4	S103 Y107	S103-Y105 PolarHBondContact O-N 2.81Å; Y105-Y107 PolarHBondContact O-N 2.83Å
106	P	39.2	Very low	70	Confident	110 Å²	110	93.5 Å²	93.5	71%	0.714	45%	0.446	S	S	*	.	S	Bend	trans	-69	26.7	178.3	13.8	-12.5	0	0	0	114.7
107	Y	52.3	Low	70.2	Confident	189 Å²	189	94.3 Å²	94.3	74%	0.741	45%	0.452	S	S	*	.	S	Bend	trans	-145.6	45.6	-167.3	-66.3	-76.4	0	0	0	114.1	Y105	Y105-Y107 PolarHBondContact O-N 2.83Å
108	H	64	Low	70.5	Confident	152 Å²	152	93.3 Å²	93.3	70%	0.704	44%	0.443	S	S	*	.			trans	32.1	77.4	171.8	-66.9	-72.8	0	0	0	113.2	K110 L263	H108-K110 PolarHBondContact O-N 2.9Å; H108-K110 VanDerWaalsContact O-N 3.07Å; H108-L263 HydrophobicContact CB-CD2 4.24Å
109	P	74.6	Confident	71	Confident	29 Å²	29	94.8 Å²	94.8	19%	0.188	45%	0.448	C	S	.	.			trans	-52.5	121.3	-169.5	19.4	-31	0	0	0	110.3	Q188 P189 G227	P109-Q188 HydrophobicContact CB-CB 4.46Å; P109-Q188 HydrophobicContact CG-CB 3.86Å; P109-Q188 HydrophobicContact CG-CG 4.3Å; P109-P189 HydrophobicContact CB-CB 4.45Å; P109-P189 WeakPolarHBondContact CB-O 3.48Å; P109-P189 WeakPolarHBondContact O-CD 3Å; P109-P189 WeakPolarHBondContact O-CG 3.19Å; P109-G227 VanDerWaalsContact O-CA 3.3Å; P109-G227 WeakPolarHBondContact O-CA 3.09Å
110	K	87.8	Confident	72.1	Confident	113 Å²	113	94.9 Å²	94.9	49%	0.491	45%	0.447	S	S	.	.			trans	-136.9	151.9	179.1	74.2	177.4	-170.9	177.8	0	109.8	H108 K112 L263 Y264	H108-K110 PolarHBondContact O-N 2.9Å; H108-K110 VanDerWaalsContact O-N 3.07Å; K110-K112 PolarHBondContact O-N 2.78Å; K110-L263 HydrophobicContact CB-CD2 4.49Å; K110-L263 WeakPolarHBondContact CD-O 3.32Å; K110-L263 PolarHBondContact NZ-O 3.17Å; K110-Y264 HydrophobicContact CB-CE1 4.18Å
111	W	91.4	Very high	73.9	Confident	32 Å²	32	91.5 Å²	91.5	12%	0.121	44%	0.438	C	S	.	.			trans	-63.9	131.5	173.7	-64.7	106.4	0	0	0	110.4	N113 I116 D160 I161 P189 G190 G194 S225 Y264	W111-N113 VanDerWaalsContact C-N 3.31Å; W111-N113 WeakPolarHBondContact CB-O 3.3Å; W111-I116 HydrophobicContact CB-CD1 4.09Å; W111-I116 HydrophobicContact CB-CG1 4.26Å; W111-I116 VanDerWaalsContact CD1-CD1 3.43Å; W111-I116 HydrophobicContact CG-CD1 3.81Å; W111-I116 HydrophobicContact CG-CG1 4.1Å; W111-D160 HydrophobicContact CE3-CB 4.46Å; W111-D160 HydrophobicContact CH2-CB 3.8Å; W111-D160 WeakPolarHBondContact CH2-O 3.43Å; W111-D160 HydrophobicContact CZ2-CB 4.09Å; W111-D160 WeakPolarHBondContact CZ2-O 3.46Å; W111-D160 HydrophobicContact CZ3-CB 4Å; W111-I161 HydrophobicContact CZ2-CG1 4.49Å; W111-P189 HydrophobicContact CD2-CB 3.95Å; W111-P189 HydrophobicContact CG-CB 4.16Å; W111-P189 HydrophobicContact CZ2-CB 4.14Å; W111-G190 WeakPolarHBondContact CH2-O 3.37Å; W111-G194 WeakPolarHBondContact CH2-O 3.5Å; W111-S225 PolarHBondContact NE1-O 3Å; W111-Y264 HydrophobicContact CB-CE1 4.24Å; W111-Y264 PolarHBondContact N-OH 2.82Å; W111-Y264 VanDerWaalsContact N-OH 3.09Å
112	K	89.3	Confident	76.4	Confident	220 Å²	220	92.6 Å²	92.6	96%	0.957	44%	0.437	S	S	*	.	S	Bend	trans	-70.7	-33.3	174.8	-66.1	-179.9	-176.7	172.2	0	111.2	K110	K110-K112 PolarHBondContact O-N 2.78Å
113	N	88.5	Confident	78.9	Confident	101 Å²	101	90.8 Å²	90.8	54%	0.54	43%	0.43	S	S	.	.	S	Bend	trans	-93.2	147.3	177	-163.6	0.5	0	0	0	110.5	W111 T115	W111-N113 VanDerWaalsContact C-N 3.31Å; W111-N113 WeakPolarHBondContact CB-O 3.3Å; N113-T115 PolarHBondContact ND2-O 2.82Å; N113-T115 PolarHBondContact OD1-N 3.17Å
114	R	88.9	Confident	81.7	Confident	135 Å²	135	88.1 Å²	88.1	51%	0.509	41%	0.411	S	S	.	.	S	Bend	trans	-85.9	-23	173.6	-71.6	179.6	175.6	165.6	-3.2	112.6	P148 L149 N150	R114-P148 WeakPolarHBondContact CB-O 3.37Å; R114-P148 WeakPolarHBondContact CD-O 3.29Å; R114-L149 WeakPolarHBondContact O-CA 3.02Å; R114-N150 PolarHBondContact O-N 3.31Å
115	T	93.8	Very high	84.6	Confident	57 Å²	57	85.2 Å²	85.2	35%	0.35	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.1	170.7	-58.1	0	0	0	0	108.8	N113 N150 V152	N113-T115 PolarHBondContact ND2-O 2.82Å; N113-T115 PolarHBondContact OD1-N 3.17Å; T115-N150 CarbonylContact C-O 3.21Å; T115-N150 VanDerWaalsContact CA-O 3.28Å; T115-N150 WeakPolarHBondContact CA-O 3.46Å; T115-N150 HydrophobicContact CG2-CB 4.48Å; T115-V152 HydrophobicContact CG2-CG2 3.77Å
116	I	95.7	Very high	87.3	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.4	-176.9	-59.2	170.1	0	0	0	107.5	W111 L149 N150 F151 V152 D160 I161 L226	W111-I116 HydrophobicContact CB-CD1 4.09Å; W111-I116 HydrophobicContact CB-CG1 4.26Å; W111-I116 VanDerWaalsContact CD1-CD1 3.43Å; W111-I116 HydrophobicContact CG-CD1 3.81Å; W111-I116 HydrophobicContact CG-CG1 4.1Å; I116-L149 HydrophobicContact CD1-CD2 3.99Å; I116-N150 PolarHBondContact N-O 2.81Å; I116-F151 HydrophobicContact CB-CD1 3.89Å; I116-F151 HydrophobicContact CB-CE1 4Å; I116-F151 HydrophobicContact CD1-CE1 3.88Å; I116-F151 HydrophobicContact CG1-CE1 4.49Å; I116-F151 HydrophobicContact CG2-CD1 4.24Å; I116-F151 HydrophobicContact CG2-CE1 4.26Å; I116-F151 VanDerWaalsContact O-CA 3.31Å; I116-F151 WeakPolarHBondContact O-CA 3.41Å; I116-V152 PolarHBondContact O-N 3.04Å; I116-D160 HydrophobicContact CG2-CB 3.76Å; I116-I161 HydrophobicContact CG2-CD1 3.75Å; I116-I161 HydrophobicContact CG2-CG1 4Å; I116-L226 HydrophobicContact CD1-CD2 3.48Å; I116-L226 VanDerWaalsContact CD1-CD2 3.48Å
117	S	95.6	Very high	90	Very high	24 Å²	24	76.4 Å²	76.4	17%	0.168	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138.8	176.8	61.3	0	0	0	0	110.7	V152 A159 D160 I161	S117-V152 CarbonylContact C-O 3.55Å; S117-V152 VanDerWaalsContact CA-O 3.28Å; S117-V152 WeakPolarHBondContact CA-O 3.45Å; S117-A159 WeakPolarHBondContact OG-CA 3.08Å; S117-D160 WeakPolarHBondContact CB-OD2 3.37Å; S117-D160 PolarHBondContact N-OD2 2.85Å; S117-D160 WeakPolarHBondContact O-CB 3.35Å; S117-D160 PolarHBondContact O-N 3.27Å; S117-D160 PolarHBondContact OG-N 2.72Å; S117-D160 PolarHBondContact OG-OD2 3.43Å; S117-I161 PolarHBondContact O-N 2.91Å
118	Y	97.5	Very high	92.2	Very high	22 Å²	22	70.1 Å²	70.1	9%	0.086	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.6	174.2	76.7	-81.8	0	0	0	111.7	L140 F151 V152 K153 V154 I161 L163	Y118-L140 HydrophobicContact CD1-CD1 3.73Å; Y118-L140 HydrophobicContact CD2-CD1 4.1Å; Y118-L140 HydrophobicContact CE1-CD1 3.51Å; Y118-L140 HydrophobicContact CE2-CD1 3.91Å; Y118-L140 HydrophobicContact CG-CD1 4.01Å; Y118-F151 HydrophobicContact CD1-CB 4.13Å; Y118-F151 HydrophobicContact CE1-CB 4.12Å; Y118-V152 PolarHBondContact N-O 2.84Å; Y118-K153 HydrophobicContact CE1-CB 3.85Å; Y118-K153 HydrophobicContact CE2-CB 4.13Å; Y118-K153 HydrophobicContact CE2-CG 3.97Å; Y118-K153 CarbonylContact O-C 3.58Å; Y118-K153 WeakPolarHBondContact O-CA 3.35Å; Y118-V154 PolarHBondContact O-N 3.47Å; Y118-I161 CarbonylContact C-O 3.49Å; Y118-I161 WeakPolarHBondContact CA-O 3.15Å; Y118-L163 HydrophobicContact CD2-CD1 4.02Å
119	K	95.8	Very high	93.7	Very high	56 Å²	56	70.8 Å²	70.8	24%	0.243	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.5	171.9	70.6	-179.8	177.6	174.6	0	111	V154 G157 A159 I161 V162 L163	K119-V154 HydrophobicContact CB-CG2 4.06Å; K119-V154 VanDerWaalsContact CB-O 3.26Å; K119-V154 WeakPolarHBondContact CB-O 3.27Å; K119-G157 PolarHBondContact NZ-O 2.84Å; K119-A159 HydrophobicContact CB-CB 4.14Å; K119-A159 HydrophobicContact CD-CB 4.04Å; K119-A159 HydrophobicContact CG-CB 3.79Å; K119-I161 PolarHBondContact N-O 3.04Å; K119-V162 HydrophobicContact CD-CG2 4.36Å; K119-V162 HydrophobicContact CG-CB 4.48Å; K119-V162 HydrophobicContact CG-CG1 4.18Å; K119-V162 HydrophobicContact CG-CG2 4.07Å; K119-L163 PolarHBondContact O-N 2.97Å
120	I	97.2	Very high	94.7	Very high	22 Å²	22	76.6 Å²	76.6	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.5	175.5	-54.3	163.8	0	0	0	107.3	K122 Y123 E133 F136 L163	I120-K122 VanDerWaalsContact CG2-O 3.31Å; I120-K122 WeakPolarHBondContact CG2-O 3.43Å; I120-Y123 HydrophobicContact CB-CE2 3.86Å; I120-Y123 HydrophobicContact CD1-CE1 4.1Å; I120-Y123 HydrophobicContact CG2-CD1 4.22Å; I120-Y123 HydrophobicContact CG2-CD2 3.72Å; I120-Y123 HydrophobicContact CG2-CE1 3.97Å; I120-Y123 HydrophobicContact CG2-CE2 3.4Å; I120-Y123 VanDerWaalsContact CG2-CE2 3.4Å; I120-Y123 HydrophobicContact CG2-CG 4.12Å; I120-E133 HydrophobicContact CD1-CG 3.58Å; I120-F136 HydrophobicContact CD1-CD2 3.74Å; I120-F136 HydrophobicContact CD1-CE2 4.15Å; I120-F136 HydrophobicContact CG1-CD2 3.93Å; I120-F136 HydrophobicContact CG1-CE2 4.09Å; I120-F136 HydrophobicContact CG2-CE2 4.28Å; I120-L163 CarbonylContact C-O 3.52Å; I120-L163 WeakPolarHBondContact CA-O 3.18Å; I120-L163 HydrophobicContact CG1-CB 4.39Å; I120-L163 HydrophobicContact CG1-CD1 4.22Å
121	A	95.1	Very high	95.1	Very high	59 Å²	59	73.6 Å²	73.6	49%	0.488	36%	0.363	S	S	.	.			trans	-85.5	-40.2	-176.9	0	0	0	0	0	112.5	V162 L163	A121-V162 HydrophobicContact CB-CG1 3.59Å; A121-L163 PolarHBondContact N-O 3.4Å
122	K	96.4	Very high	95.3	Very high	125 Å²	125	72.1 Å²	72.1	54%	0.543	36%	0.357	S	S	.	.			trans	-134.3	151.1	178	-67	-179.6	-179.8	176.4	0	109.1	I120 F165	I120-K122 VanDerWaalsContact CG2-O 3.31Å; I120-K122 WeakPolarHBondContact CG2-O 3.43Å; K122-F165 WeakPolarHBondContact CD-O 3.47Å; K122-F165 VanDerWaalsContact O-CD2 3.32Å; K122-F165 WeakPolarHBondContact O-CD2 3.21Å
123	Y	97.9	Very high	95.6	Very high	48 Å²	48	64.7 Å²	64.7	19%	0.188	33%	0.326	C	S	.	.			trans	-122.4	143.4	-180	-73.2	-106.3	0	0	0	108.7	I120 R129 V132 E133	I120-Y123 HydrophobicContact CB-CE2 3.86Å; I120-Y123 HydrophobicContact CD1-CE1 4.1Å; I120-Y123 HydrophobicContact CG2-CD1 4.22Å; I120-Y123 HydrophobicContact CG2-CD2 3.72Å; I120-Y123 HydrophobicContact CG2-CE1 3.97Å; I120-Y123 HydrophobicContact CG2-CE2 3.4Å; I120-Y123 VanDerWaalsContact CG2-CE2 3.4Å; I120-Y123 HydrophobicContact CG2-CG 4.12Å; Y123-R129 HydrophobicContact CD1-CB 4.11Å; Y123-R129 HydrophobicContact CD1-CG 3.77Å; Y123-R129 HydrophobicContact CE1-CB 3.93Å; Y123-R129 HydrophobicContact CE1-CG 3.96Å; Y123-R129 HydrophobicContact CG-CG 4.25Å; Y123-V132 HydrophobicContact CD1-CB 3.97Å; Y123-V132 HydrophobicContact CD1-CG1 3.76Å; Y123-V132 HydrophobicContact CD1-CG2 4.32Å; Y123-V132 HydrophobicContact CE1-CB 4.28Å; Y123-V132 HydrophobicContact CE1-CG1 4.03Å; Y123-E133 HydrophobicContact CE1-CG 4.1Å; Y123-E133 PolarHBondContact OH-OE1 3.39Å
124	T	97.8	Very high	95.8	Very high	6 Å²	6	65 Å²	65	4%	0.037	32%	0.322	C	S	.	.			trans	-69.1	143.6	168.9	177.8	0	0	0	0	111.6	D126 L127 V132 F165 E201 W205	T124-D126 VanDerWaalsContact C-N 3.29Å; T124-D126 WeakPolarHBondContact OG1-CB 3.49Å; T124-D126 PolarHBondContact OG1-N 3.37Å; T124-L127 HydrophobicContact CG2-CB 4.24Å; T124-V132 HydrophobicContact CG2-CG2 3.84Å; T124-F165 HydrophobicContact CG2-CD1 4.25Å; T124-F165 HydrophobicContact CG2-CE1 3.69Å; T124-F165 HydrophobicContact CG2-CE2 4.28Å; T124-F165 HydrophobicContact CG2-CZ 3.72Å; T124-E201 WeakPolarHBondContact CA-OE1 3.16Å; T124-E201 WeakPolarHBondContact CA-OE2 3.42Å; T124-E201 WeakPolarHBondContact CB-OE1 3.41Å; T124-E201 WeakPolarHBondContact CB-OE2 3.4Å; T124-E201 PolarHBondContact OG1-OE1 3.43Å; T124-W205 HydrophobicContact CG2-CB 4.27Å; T124-W205 HydrophobicContact CG2-CG 4.48Å
125	P	97.4	Very high	96.1	Very high	112 Å²	112	58.9 Å²	58.9	73%	0.727	30%	0.3	S	S	*	.	S	Bend	trans	-77.4	-12.6	171.3	33.7	-33.8	0	0	0	113.2	L127 E201	P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.21Å; P125-E201 VanDerWaalsContact CD-OE1 3.22Å; P125-E201 WeakPolarHBondContact CD-OE1 3.09Å
126	D	97.1	Very high	96.2	Very high	76 Å²	76	56.1 Å²	56.1	41%	0.406	28%	0.283	S	S	.	.	S	Bend	trans	-68.4	-26.6	-177.3	-68.7	-10.4	0	0	0	112.9	T124 T204 W205	T124-D126 VanDerWaalsContact C-N 3.29Å; T124-D126 WeakPolarHBondContact OG1-CB 3.49Å; T124-D126 PolarHBondContact OG1-N 3.37Å; D126-T204 WeakPolarHBondContact OD2-CA 3.26Å; D126-W205 HydrophobicContact CB-CB 4.26Å; D126-W205 PolarHBondContact OD2-N 2.85Å
127	L	96.9	Very high	96.1	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-126	151.7	-175.3	-68.1	178.1	0	0	0	111.4	T124 P125 D131 V132 W205 T207 L214	T124-L127 HydrophobicContact CG2-CB 4.24Å; P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.21Å; L127-D131 HydrophobicContact CB-CB 4.32Å; L127-V132 HydrophobicContact CB-CG2 3.79Å; L127-V132 HydrophobicContact CD1-CG2 4.45Å; L127-W205 HydrophobicContact CD1-CB 4.21Å; L127-T207 HydrophobicContact CD1-CG2 4.29Å; L127-T207 HydrophobicContact CD2-CG2 4.04Å; L127-L214 HydrophobicContact CD1-CB 4.22Å; L127-L214 HydrophobicContact CD1-CD2 3.95Å
128	S	97.8	Very high	96	Very high	56 Å²	56	64.3 Å²	64.3	39%	0.392	32%	0.315	S	S	.	.			trans	-61.5	149.8	168.9	80.3	0	0	0	0	110.1	E130 D131 V132	S128-E130 PolarHBondContact O-N 2.73Å; S128-D131 PolarHBondContact O-N 2.76Å; S128-D131 WeakPolarHBondContact OG-CB 3.21Å; S128-D131 PolarHBondContact OG-N 2.92Å; S128-D131 VanDerWaalsContact OG-N 3.1Å; S128-D131 PolarHBondContact OG-OD2 2.73Å; S128-V132 PolarHBondContact O-N 3.24Å
129	R	96.1	Very high	95.8	Very high	166 Å²	166	63.2 Å²	63.2	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-55.8	-34.9	175.4	-70.1	-177.3	174	-112.8	0.8	112.1	Y123 E133	Y123-R129 HydrophobicContact CD1-CB 4.11Å; Y123-R129 HydrophobicContact CD1-CG 3.77Å; Y123-R129 HydrophobicContact CE1-CB 3.93Å; Y123-R129 HydrophobicContact CE1-CG 3.96Å; Y123-R129 HydrophobicContact CG-CG 4.25Å; R129-E133 WeakPolarHBondContact O-CB 3.44Å; R129-E133 VanDerWaalsContact O-CG 3.27Å; R129-E133 WeakPolarHBondContact O-CG 3.37Å; R129-E133 PolarHBondContact O-N 3.12Å
130	E	95.1	Very high	95.8	Very high	151 Å²	151	60.8 Å²	60.8	71%	0.706	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-43.5	177.2	-174	178.5	173.5	0	0	111.6	S128 E133 K134	S128-E130 PolarHBondContact O-N 2.73Å; E130-E133 PolarHBondContact O-N 2.86Å; E130-K134 WeakPolarHBondContact O-CB 3.29Å; E130-K134 PolarHBondContact O-N 2.92Å
131	D	94.8	Very high	95.5	Very high	51 Å²	51	64.1 Å²	64.1	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-67.6	-38.6	178.8	-72.2	-47.3	0	0	0	112.6	L127 S128 K134 S135 T207	L127-D131 HydrophobicContact CB-CB 4.32Å; S128-D131 PolarHBondContact O-N 2.76Å; S128-D131 WeakPolarHBondContact OG-CB 3.21Å; S128-D131 PolarHBondContact OG-N 2.92Å; S128-D131 VanDerWaalsContact OG-N 3.1Å; S128-D131 PolarHBondContact OG-OD2 2.73Å; D131-K134 PolarHBondContact O-N 2.98Å; D131-S135 WeakPolarHBondContact O-CB 3.43Å; D131-S135 PolarHBondContact O-N 2.8Å; D131-S135 PolarHBondContact O-OG 3.39Å; D131-T207 HydrophobicContact CB-CG2 3.71Å
132	V	97	Very high	95.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-51.6	172.5	172.5	0	0	0	0	110.2	Y123 T124 L127 S128 K134 S135 F136 F165 L214	Y123-V132 HydrophobicContact CD1-CB 3.97Å; Y123-V132 HydrophobicContact CD1-CG1 3.76Å; Y123-V132 HydrophobicContact CD1-CG2 4.32Å; Y123-V132 HydrophobicContact CE1-CB 4.28Å; Y123-V132 HydrophobicContact CE1-CG1 4.03Å; T124-V132 HydrophobicContact CG2-CG2 3.84Å; L127-V132 HydrophobicContact CB-CG2 3.79Å; L127-V132 HydrophobicContact CD1-CG2 4.45Å; S128-V132 PolarHBondContact O-N 3.24Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 3.03Å; V132-S135 WeakPolarHBondContact O-CB 3.32Å; V132-S135 PolarHBondContact O-N 2.79Å; V132-F136 HydrophobicContact CG1-CD2 3.85Å; V132-F136 HydrophobicContact CG1-CE2 3.35Å; V132-F136 HydrophobicContact CG1-CZ 3.94Å; V132-F136 WeakPolarHBondContact O-CD2 3.16Å; V132-F136 WeakPolarHBondContact O-CG 3.26Å; V132-F136 PolarHBondContact O-N 3.16Å; V132-F165 HydrophobicContact CG1-CE2 4.19Å; V132-F165 HydrophobicContact CG1-CZ 4.41Å; V132-L214 HydrophobicContact CB-CD2 4.24Å; V132-L214 HydrophobicContact CG1-CD2 4.14Å; V132-L214 HydrophobicContact CG2-CD2 4.02Å
133	E	95.3	Very high	95.4	Very high	65 Å²	65	56.4 Å²	56.4	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-40.1	179.9	-74.3	-173.8	-166	0	0	112.8	I120 Y123 R129 E130 F136 R137 K153	I120-E133 HydrophobicContact CD1-CG 3.58Å; Y123-E133 HydrophobicContact CE1-CG 4.1Å; Y123-E133 PolarHBondContact OH-OE1 3.39Å; R129-E133 WeakPolarHBondContact O-CB 3.44Å; R129-E133 VanDerWaalsContact O-CG 3.27Å; R129-E133 WeakPolarHBondContact O-CG 3.37Å; R129-E133 PolarHBondContact O-N 3.12Å; E130-E133 PolarHBondContact O-N 2.86Å; E133-F136 PolarHBondContact O-N 3.05Å; E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.35Å; E133-R137 PolarHBondContact O-N 2.79Å; E133-K153 IonicContact OE1-NZ 2.76Å; E133-K153 PolarHBondContact OE1-NZ 3.13Å; E133-K153 IonicContact OE2-NZ 2.84Å; E133-K153 PolarHBondContact OE2-NZ 3.35Å
134	K	93.1	Very high	95.2	Very high	106 Å²	106	55.9 Å²	55.9	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-42.6	175.4	-177.8	-179.7	176.8	-175.8	0	111.2	E130 D131 V132 R137 L138	E130-K134 WeakPolarHBondContact O-CB 3.29Å; E130-K134 PolarHBondContact O-N 2.92Å; D131-K134 PolarHBondContact O-N 2.98Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 3.03Å; K134-R137 PolarHBondContact O-N 2.8Å; K134-L138 HydrophobicContact CG-CD1 4.11Å; K134-L138 WeakPolarHBondContact O-CB 3.3Å; K134-L138 VanDerWaalsContact O-CG 3.26Å; K134-L138 WeakPolarHBondContact O-CG 3.01Å; K134-L138 PolarHBondContact O-N 3.04Å
135	S	93.9	Very high	94.9	Very high	7 Å²	7	60 Å²	60	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-49.1	178	-61.5	0	0	0	0	111.2	D131 V132 L138 A139	D131-S135 WeakPolarHBondContact O-CB 3.43Å; D131-S135 PolarHBondContact O-N 2.8Å; D131-S135 PolarHBondContact O-OG 3.39Å; V132-S135 WeakPolarHBondContact O-CB 3.32Å; V132-S135 PolarHBondContact O-N 2.79Å; S135-L138 PolarHBondContact O-N 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.39Å; S135-A139 PolarHBondContact O-N 3.15Å
136	F	96.2	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-42.1	176.7	-62.8	-30.7	0	0	0	112.7	I120 V132 E133 L138 A139 L140 L163 F165 F199 L214 A218	I120-F136 HydrophobicContact CD1-CD2 3.74Å; I120-F136 HydrophobicContact CD1-CE2 4.15Å; I120-F136 HydrophobicContact CG1-CD2 3.93Å; I120-F136 HydrophobicContact CG1-CE2 4.09Å; I120-F136 HydrophobicContact CG2-CE2 4.28Å; V132-F136 HydrophobicContact CG1-CD2 3.85Å; V132-F136 HydrophobicContact CG1-CE2 3.35Å; V132-F136 HydrophobicContact CG1-CZ 3.94Å; V132-F136 WeakPolarHBondContact O-CD2 3.16Å; V132-F136 WeakPolarHBondContact O-CG 3.26Å; V132-F136 PolarHBondContact O-N 3.16Å; E133-F136 PolarHBondContact O-N 3.05Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.75Å; F136-A139 PolarHBondContact O-N 3.22Å; F136-L140 WeakPolarHBondContact O-CB 3.36Å; F136-L140 VanDerWaalsContact O-CG 3.28Å; F136-L140 WeakPolarHBondContact O-CG 3.45Å; F136-L140 PolarHBondContact O-N 3.04Å; F136-L163 HydrophobicContact CB-CD1 3.97Å; F136-L163 HydrophobicContact CD1-CD1 4.07Å; F136-L163 HydrophobicContact CD2-CD1 3.42Å; F136-L163 VanDerWaalsContact CD2-CD1 3.42Å; F136-L163 HydrophobicContact CE1-CD1 4.4Å; F136-L163 HydrophobicContact CE2-CB 4.06Å; F136-L163 HydrophobicContact CE2-CD1 3.78Å; F136-L163 HydrophobicContact CG-CD1 3.57Å; F136-L163 HydrophobicContact CZ-CB 4.31Å; F136-L163 HydrophobicContact CZ-CD1 4.26Å; F136-F165 HydrophobicContact CE2-CE2 4.32Å; F136-F165 AromaticContact CZ-CE2 3.87Å; F136-F165 HydrophobicContact CZ-CE2 3.87Å; F136-F165 AromaticContact CZ-CZ 3.92Å; F136-F165 HydrophobicContact CZ-CZ 3.92Å; F136-F199 HydrophobicContact CD1-CZ 4.4Å; F136-F199 HydrophobicContact CE1-CD2 4.42Å; F136-F199 HydrophobicContact CE1-CE1 4.25Å; F136-F199 AromaticContact CE1-CE2 3.58Å; F136-F199 HydrophobicContact CE1-CE2 3.58Å; F136-F199 AromaticContact CE1-CZ 3.48Å; F136-F199 HydrophobicContact CE1-CZ 3.48Å; F136-F199 VanDerWaalsContact CE1-CZ 3.48Å; F136-F199 HydrophobicContact CZ-CD2 4.2Å; F136-F199 AromaticContact CZ-CE2 3.64Å; F136-F199 HydrophobicContact CZ-CE2 3.64Å; F136-F199 HydrophobicContact CZ-CZ 4.05Å; F136-L214 HydrophobicContact CE1-CD1 3.81Å; F136-L214 HydrophobicContact CE1-CD2 4.2Å; F136-L214 HydrophobicContact CE1-CG 4.03Å; F136-L214 HydrophobicContact CZ-CD1 4.21Å; F136-L214 HydrophobicContact CZ-CD2 4.32Å; F136-A218 HydrophobicContact CD1-CB 3.67Å; F136-A218 HydrophobicContact CE1-CB 3.86Å
137	R	94.7	Very high	94.4	Very high	130 Å²	130	51.4 Å²	51.4	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-41	176.7	-175	-177.9	63.2	79.4	1.1	112	E133 K134 K141	E133-R137 VanDerWaalsContact O-CB 3.25Å; E133-R137 WeakPolarHBondContact O-CB 3.35Å; E133-R137 PolarHBondContact O-N 2.79Å; K134-R137 PolarHBondContact O-N 2.8Å; R137-K141 WeakPolarHBondContact O-CB 3.4Å; R137-K141 PolarHBondContact O-N 2.81Å
138	L	91.9	Very high	94.2	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-42	177	-71.7	172.8	0	0	0	111.4	K134 S135 F136 K141 M142 F215	K134-L138 HydrophobicContact CG-CD1 4.11Å; K134-L138 WeakPolarHBondContact O-CB 3.3Å; K134-L138 VanDerWaalsContact O-CG 3.26Å; K134-L138 WeakPolarHBondContact O-CG 3.01Å; K134-L138 PolarHBondContact O-N 3.04Å; S135-L138 PolarHBondContact O-N 3.26Å; F136-L138 VanDerWaalsContact C-N 3.32Å; F136-L138 PolarHBondContact O-N 2.75Å; L138-K141 WeakPolarHBondContact O-CB 3.26Å; L138-K141 PolarHBondContact O-N 2.58Å; L138-M142 WeakPolarHBondContact O-CG 2.91Å; L138-M142 PolarHBondContact O-N 2.79Å; L138-F215 HydrophobicContact CB-CD2 3.64Å; L138-F215 HydrophobicContact CB-CE2 3.59Å
139	A	94.3	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-47.3	177.3	0	0	0	0	0	111.9	S135 F136 K141 M142 F215 A218 A219 L222	S135-A139 WeakPolarHBondContact O-CB 3.39Å; S135-A139 PolarHBondContact O-N 3.15Å; F136-A139 PolarHBondContact O-N 3.22Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.05Å; A139-M142 WeakPolarHBondContact O-CB 3.37Å; A139-M142 PolarHBondContact O-N 3.46Å; A139-F215 HydrophobicContact CB-CD2 4.06Å; A139-F215 HydrophobicContact CB-CE2 4.37Å; A139-A218 HydrophobicContact CB-CB 4.02Å; A139-A219 HydrophobicContact CB-CB 4.02Å; A139-L222 HydrophobicContact CB-CD1 3.78Å
140	L	95.8	Very high	93.9	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-39.4	173.4	-69.8	168.1	0	0	0	111.7	Y118 F136 M142 W143 S144 F151 L222	Y118-L140 HydrophobicContact CD1-CD1 3.73Å; Y118-L140 HydrophobicContact CD2-CD1 4.1Å; Y118-L140 HydrophobicContact CE1-CD1 3.51Å; Y118-L140 HydrophobicContact CE2-CD1 3.91Å; Y118-L140 HydrophobicContact CG-CD1 4.01Å; F136-L140 WeakPolarHBondContact O-CB 3.36Å; F136-L140 VanDerWaalsContact O-CG 3.28Å; F136-L140 WeakPolarHBondContact O-CG 3.45Å; F136-L140 PolarHBondContact O-N 3.04Å; L140-M142 VanDerWaalsContact C-N 3.31Å; L140-M142 PolarHBondContact O-N 2.98Å; L140-W143 PolarHBondContact O-N 2.69Å; L140-S144 PolarHBondContact O-N 2.66Å; L140-S144 PolarHBondContact O-OG 2.78Å; L140-F151 HydrophobicContact CB-CB 4.38Å; L140-F151 HydrophobicContact CB-CD2 3.77Å; L140-F151 HydrophobicContact CB-CE2 4.21Å; L140-F151 HydrophobicContact CB-CG 4.06Å; L140-F151 HydrophobicContact CD1-CB 4.15Å; L140-F151 HydrophobicContact CD1-CG 4.36Å; L140-F151 HydrophobicContact CD2-CB 4.39Å; L140-F151 HydrophobicContact CD2-CD1 3.6Å; L140-F151 HydrophobicContact CD2-CD2 4.03Å; L140-F151 HydrophobicContact CD2-CE1 3.72Å; L140-F151 HydrophobicContact CD2-CE2 4.15Å; L140-F151 HydrophobicContact CD2-CG 3.73Å; L140-F151 HydrophobicContact CD2-CZ 4Å; L140-F151 HydrophobicContact CG-CD2 4.42Å; L140-F151 HydrophobicContact CG-CG 4.27Å; L140-F151 WeakPolarHBondContact O-CE2 3.38Å; L140-L222 HydrophobicContact CD2-CD1 3.62Å; L140-L222 HydrophobicContact CD2-CD2 3.72Å; L140-L222 HydrophobicContact CD2-CG 4.22Å; L140-L222 HydrophobicContact CG-CD1 3.73Å
141	K	91.7	Very high	93.9	Very high	91 Å²	91	40.4 Å²	40.4	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-60.7	-39.4	177.6	177.7	166.2	172.3	45.3	0	112.3	R137 L138 A139 W143 S144 D145	R137-K141 WeakPolarHBondContact O-CB 3.4Å; R137-K141 PolarHBondContact O-N 2.81Å; L138-K141 WeakPolarHBondContact O-CB 3.26Å; L138-K141 PolarHBondContact O-N 2.58Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.05Å; K141-W143 VanDerWaalsContact C-N 3.25Å; K141-W143 PolarHBondContact O-N 2.87Å; K141-S144 WeakPolarHBondContact CA-OG 3.32Å; K141-S144 PolarHBondContact O-N 3.26Å; K141-S144 PolarHBondContact O-OG 2.84Å; K141-D145 WeakPolarHBondContact CE-OD2 3.28Å; K141-D145 WeakPolarHBondContact CG-OD2 3.28Å; K141-D145 IonicContact NZ-OD1 2.74Å; K141-D145 PolarHBondContact NZ-OD1 2.93Å; K141-D145 IonicContact NZ-OD2 3.26Å; K141-D145 PolarHBondContact NZ-OD2 3.03Å; K141-D145 WeakPolarHBondContact O-CB 3.29Å; K141-D145 PolarHBondContact O-N 3.38Å
142	M	92.2	Very high	93.9	Very high	23 Å²	23	41.3 Å²	41.3	11%	0.113	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-44.4	176.5	-69.5	175.4	65.5	0	0	111.4	L138 A139 L140 A146 F215 A219 V237 Y250 L252	L138-M142 WeakPolarHBondContact O-CG 2.91Å; L138-M142 PolarHBondContact O-N 2.79Å; A139-M142 WeakPolarHBondContact O-CB 3.37Å; A139-M142 PolarHBondContact O-N 3.46Å; L140-M142 VanDerWaalsContact C-N 3.31Å; L140-M142 PolarHBondContact O-N 2.98Å; M142-A146 PolarHBondContact O-N 3.03Å; M142-F215 HydrophobicContact CG-CE2 4.26Å; M142-F215 HydrophobicContact CG-CZ 4.27Å; M142-F215 HydrophobicContact SD-CE1 4.32Å; M142-F215 HydrophobicContact SD-CE2 3.5Å; M142-F215 VanDerWaalsContact SD-CE2 3.5Å; M142-F215 HydrophobicContact SD-CZ 3.26Å; M142-F215 WeakPolarHBondContact SD-CZ 3.36Å; M142-A219 HydrophobicContact SD-CB 4Å; M142-V237 HydrophobicContact CE-CG2 4.16Å; M142-Y250 HydrophobicContact CE-CD1 3.78Å; M142-Y250 HydrophobicContact CE-CE1 4.16Å; M142-Y250 HydrophobicContact SD-CD1 4.04Å; M142-L252 HydrophobicContact CB-CD1 4.38Å; M142-L252 HydrophobicContact CB-CG 4.35Å; M142-L252 HydrophobicContact CE-CD2 3.76Å; M142-L252 HydrophobicContact CE-CG 3.9Å; M142-L252 VanDerWaalsContact O-CD1 3.26Å; M142-L252 WeakPolarHBondContact O-CD1 3.48Å
143	W	95.6	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.6	-39.5	179.2	-63.5	117	0	0	0	112.9	L140 K141 D145 A146 A147 F151 A219 L226 L228 V237 M238 L252 D256 I260	L140-W143 PolarHBondContact O-N 2.69Å; K141-W143 VanDerWaalsContact C-N 3.25Å; K141-W143 PolarHBondContact O-N 2.87Å; W143-D145 VanDerWaalsContact C-N 3.27Å; W143-D145 PolarHBondContact O-N 2.89Å; W143-A146 PolarHBondContact O-N 2.82Å; W143-A146 VanDerWaalsContact O-N 3.16Å; W143-A147 PolarHBondContact O-N 3.03Å; W143-F151 HydrophobicContact CB-CE2 4.39Å; W143-F151 HydrophobicContact CB-CZ 4.48Å; W143-A219 WeakPolarHBondContact CZ2-O 3.36Å; W143-A219 PolarHBondContact NE1-O 3Å; W143-L226 HydrophobicContact CB-CD1 3.62Å; W143-L226 HydrophobicContact CD2-CD1 4.1Å; W143-L226 HydrophobicContact CG-CD1 3.59Å; W143-L228 HydrophobicContact CE3-CD1 4.29Å; W143-L228 HydrophobicContact CH2-CD1 3.38Å; W143-L228 HydrophobicContact CZ2-CD1 4.17Å; W143-L228 HydrophobicContact CZ3-CD1 3.46Å; W143-L228 VanDerWaalsContact CZ3-CD1 3.46Å; W143-V237 HydrophobicContact CZ2-CG1 4.36Å; W143-M238 HydrophobicContact CH2-CG 4.13Å; W143-M238 HydrophobicContact CH2-SD 4.12Å; W143-M238 HydrophobicContact CZ2-SD 3.98Å; W143-L252 HydrophobicContact CD2-CD2 4.38Å; W143-L252 HydrophobicContact CE3-CD1 3.89Å; W143-L252 HydrophobicContact CE3-CD2 4.07Å; W143-L252 HydrophobicContact CH2-CD2 3.62Å; W143-L252 HydrophobicContact CZ2-CD2 3.95Å; W143-L252 HydrophobicContact CZ3-CD1 4.03Å; W143-L252 HydrophobicContact CZ3-CD2 3.67Å; W143-D256 HydrophobicContact CH2-CB 4.13Å; W143-D256 HydrophobicContact CZ3-CB 4.21Å; W143-I260 HydrophobicContact CE3-CB 4.02Å; W143-I260 HydrophobicContact CE3-CD1 4.23Å; W143-I260 HydrophobicContact CE3-CG1 3.95Å; W143-I260 HydrophobicContact CE3-CG2 4.19Å; W143-I260 HydrophobicContact CZ3-CB 4.03Å; W143-I260 HydrophobicContact CZ3-CG1 4.42Å; W143-I260 HydrophobicContact CZ3-CG2 4.27Å
144	S	94.2	Very high	93.6	Very high	37 Å²	37	43.4 Å²	43.4	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-68.6	-25.3	175.6	64.8	0	0	0	0	113.5	L140 K141 A146 A147 L149	L140-S144 PolarHBondContact O-N 2.66Å; L140-S144 PolarHBondContact O-OG 2.78Å; K141-S144 WeakPolarHBondContact CA-OG 3.32Å; K141-S144 PolarHBondContact O-N 3.26Å; K141-S144 PolarHBondContact O-OG 2.84Å; S144-A146 VanDerWaalsContact C-N 3.29Å; S144-A147 CarbonylContact C-O 3.56Å; S144-L149 WeakPolarHBondContact CB-O 3.36Å
145	D	91.9	Very high	93.1	Very high	91 Å²	91	44.2 Å²	44.2	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-74	-24.9	174.2	-70.8	-8.7	0	0	0	111.3	K141 W143 P267	K141-D145 WeakPolarHBondContact CE-OD2 3.28Å; K141-D145 WeakPolarHBondContact CG-OD2 3.28Å; K141-D145 IonicContact NZ-OD1 2.74Å; K141-D145 PolarHBondContact NZ-OD1 2.93Å; K141-D145 IonicContact NZ-OD2 3.26Å; K141-D145 PolarHBondContact NZ-OD2 3.03Å; K141-D145 WeakPolarHBondContact O-CB 3.29Å; K141-D145 PolarHBondContact O-N 3.38Å; W143-D145 VanDerWaalsContact C-N 3.27Å; W143-D145 PolarHBondContact O-N 2.89Å; D145-P267 WeakPolarHBondContact O-CG 3.37Å
146	A	91.9	Very high	92.5	Very high	8 Å²	8	52.1 Å²	52.1	7%	0.066	26%	0.262	C	S	.	.	H	α-helix	trans	-103	-13.3	-177.7	0	0	0	0	0	115.1	M142 W143 S144 L252 V257 I260 Q261 P267	M142-A146 PolarHBondContact O-N 3.03Å; W143-A146 PolarHBondContact O-N 2.82Å; W143-A146 VanDerWaalsContact O-N 3.16Å; S144-A146 VanDerWaalsContact C-N 3.29Å; A146-L252 HydrophobicContact CB-CD1 3.49Å; A146-L252 VanDerWaalsContact CB-CD1 3.49Å; A146-V257 HydrophobicContact CB-CG2 4.31Å; A146-I260 HydrophobicContact CB-CG2 4.01Å; A146-Q261 WeakPolarHBondContact O-CG 3.15Å; A146-Q261 PolarHBondContact O-NE2 3.39Å; A146-P267 WeakPolarHBondContact O-CD 3.26Å; A146-P267 WeakPolarHBondContact O-CG 3.36Å
147	A	92.4	Very high	91.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-145.5	156.5	174.5	0	0	0	0	0	111.7	W143 S144 L149 I260	W143-A147 PolarHBondContact O-N 3.03Å; S144-A147 CarbonylContact C-O 3.56Å; A147-L149 HydrophobicContact CB-CD1 4.08Å; A147-L149 HydrophobicContact CB-CG 4.11Å; A147-L149 PolarHBondContact O-N 3.19Å; A147-I260 HydrophobicContact CB-CG1 3.74Å; A147-I260 HydrophobicContact CB-CG2 4.2Å
148	P	93.3	Very high	91.5	Very high	27 Å²	27	58.4 Å²	58.4	18%	0.175	31%	0.308	C	S	.	.	S	Bend	trans	-76.9	62.3	-177.8	34.6	-36.8	0	0	0	111.6	R114 Y264 G265	R114-P148 WeakPolarHBondContact CB-O 3.37Å; R114-P148 WeakPolarHBondContact CD-O 3.29Å; P148-Y264 VanDerWaalsContact CG-O 3.26Å; P148-Y264 WeakPolarHBondContact CG-O 3.43Å; P148-G265 WeakPolarHBondContact CD-O 3.43Å
149	L	94.2	Very high	91.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.298	C	S	.	.			trans	-112.8	136.3	-178.2	-66	174.1	0	0	0	109.9	R114 I116 S144 A147 F151 L226 I260 Y264	R114-L149 WeakPolarHBondContact O-CA 3.02Å; I116-L149 HydrophobicContact CD1-CD2 3.99Å; S144-L149 WeakPolarHBondContact CB-O 3.36Å; A147-L149 HydrophobicContact CB-CD1 4.08Å; A147-L149 HydrophobicContact CB-CG 4.11Å; A147-L149 PolarHBondContact O-N 3.19Å; L149-F151 HydrophobicContact CB-CE2 4.01Å; L149-F151 HydrophobicContact CB-CZ 3.98Å; L149-F151 HydrophobicContact CD1-CZ 4.13Å; L149-L226 HydrophobicContact CD1-CD1 3.99Å; L149-L226 HydrophobicContact CD1-CD2 3.79Å; L149-L226 HydrophobicContact CD1-CG 4.46Å; L149-I260 HydrophobicContact CD1-CD1 4.38Å; L149-Y264 HydrophobicContact CD1-CD2 3.92Å; L149-Y264 HydrophobicContact CD1-CE2 4.19Å; L149-Y264 HydrophobicContact CD1-CG 4.19Å; L149-Y264 HydrophobicContact CD2-CD1 3.61Å; L149-Y264 HydrophobicContact CD2-CD2 4.3Å; L149-Y264 HydrophobicContact CD2-CE1 3.94Å; L149-Y264 HydrophobicContact CD2-CG 3.8Å; L149-Y264 HydrophobicContact CG-CD1 4.49Å; L149-Y264 HydrophobicContact CG-CD2 4.43Å; L149-Y264 HydrophobicContact CG-CG 4.19Å
150	N	92.8	Very high	91.6	Very high	99 Å²	99	58.7 Å²	58.7	53%	0.529	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.1	178.8	-69.4	-33.5	0	0	0	109.3	R114 T115 I116	R114-N150 PolarHBondContact O-N 3.31Å; T115-N150 CarbonylContact C-O 3.21Å; T115-N150 VanDerWaalsContact CA-O 3.28Å; T115-N150 WeakPolarHBondContact CA-O 3.46Å; T115-N150 HydrophobicContact CG2-CB 4.48Å; I116-N150 PolarHBondContact N-O 2.81Å
151	F	95.3	Very high	91.7	Very high	40 Å²	40	58.4 Å²	58.4	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.3	-179.2	-60.2	-74.5	0	0	0	111.3	I116 Y118 L140 W143 L149 L226	I116-F151 HydrophobicContact CB-CD1 3.89Å; I116-F151 HydrophobicContact CB-CE1 4Å; I116-F151 HydrophobicContact CD1-CE1 3.88Å; I116-F151 HydrophobicContact CG1-CE1 4.49Å; I116-F151 HydrophobicContact CG2-CD1 4.24Å; I116-F151 HydrophobicContact CG2-CE1 4.26Å; I116-F151 VanDerWaalsContact O-CA 3.31Å; I116-F151 WeakPolarHBondContact O-CA 3.41Å; Y118-F151 HydrophobicContact CD1-CB 4.13Å; Y118-F151 HydrophobicContact CE1-CB 4.12Å; L140-F151 HydrophobicContact CB-CB 4.38Å; L140-F151 HydrophobicContact CB-CD2 3.77Å; L140-F151 HydrophobicContact CB-CE2 4.21Å; L140-F151 HydrophobicContact CB-CG 4.06Å; L140-F151 HydrophobicContact CD1-CB 4.15Å; L140-F151 HydrophobicContact CD1-CG 4.36Å; L140-F151 HydrophobicContact CD2-CB 4.39Å; L140-F151 HydrophobicContact CD2-CD1 3.6Å; L140-F151 HydrophobicContact CD2-CD2 4.03Å; L140-F151 HydrophobicContact CD2-CE1 3.72Å; L140-F151 HydrophobicContact CD2-CE2 4.15Å; L140-F151 HydrophobicContact CD2-CG 3.73Å; L140-F151 HydrophobicContact CD2-CZ 4Å; L140-F151 HydrophobicContact CG-CD2 4.42Å; L140-F151 HydrophobicContact CG-CG 4.27Å; L140-F151 WeakPolarHBondContact O-CE2 3.38Å; W143-F151 HydrophobicContact CB-CE2 4.39Å; W143-F151 HydrophobicContact CB-CZ 4.48Å; L149-F151 HydrophobicContact CB-CE2 4.01Å; L149-F151 HydrophobicContact CB-CZ 3.98Å; L149-F151 HydrophobicContact CD1-CZ 4.13Å; F151-L226 HydrophobicContact CE1-CD2 3.97Å; F151-L226 HydrophobicContact CZ-CD1 4.06Å; F151-L226 HydrophobicContact CZ-CD2 3.94Å
152	V	93.9	Very high	92	Very high	71 Å²	71	55.1 Å²	55.1	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.2	-178.7	-178.7	0	0	0	0	109.6	T115 I116 S117 Y118	T115-V152 HydrophobicContact CG2-CG2 3.77Å; I116-V152 PolarHBondContact O-N 3.04Å; S117-V152 CarbonylContact C-O 3.55Å; S117-V152 VanDerWaalsContact CA-O 3.28Å; S117-V152 WeakPolarHBondContact CA-O 3.45Å; Y118-V152 PolarHBondContact N-O 2.84Å
153	K	93.7	Very high	92.2	Very high	70 Å²	70	54.1 Å²	54.1	30%	0.304	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.6	174	-167.6	-175.2	179.1	-166.1	0	109.5	Y118 E133	Y118-K153 HydrophobicContact CE1-CB 3.85Å; Y118-K153 HydrophobicContact CE2-CB 4.13Å; Y118-K153 HydrophobicContact CE2-CG 3.97Å; Y118-K153 CarbonylContact O-C 3.58Å; Y118-K153 WeakPolarHBondContact O-CA 3.35Å; E133-K153 IonicContact OE1-NZ 2.76Å; E133-K153 PolarHBondContact OE1-NZ 3.13Å; E133-K153 IonicContact OE2-NZ 2.84Å; E133-K153 PolarHBondContact OE2-NZ 3.35Å
154	V	92.2	Very high	92.3	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.236	30%	0.299	C	S	.	.			trans	-115.5	139.1	171.8	-60.1	0	0	0	0	110.3	Y118 K119 A159	Y118-V154 PolarHBondContact O-N 3.47Å; K119-V154 HydrophobicContact CB-CG2 4.06Å; K119-V154 VanDerWaalsContact CB-O 3.26Å; K119-V154 WeakPolarHBondContact CB-O 3.27Å; V154-A159 HydrophobicContact CG2-CB 3.72Å
155	N	83.7	Confident	92.5	Very high	123 Å²	123	53.3 Å²	53.3	66%	0.658	29%	0.287	S	S	*	.	S	Bend	trans	-90.7	-22.6	-177.3	-65.6	-28.1	0	0	0	112.9
156	H	80.2	Confident	92.8	Very high	172 Å²	172	49.4 Å²	49.4	80%	0.796	27%	0.268	S	S	*	.	S	Bend	trans	-143.2	158.4	-176.9	-56.1	-66.9	0	0	0	110.9
157	G	83.7	Confident	93	Very high	55 Å²	55	53.9 Å²	53.9	57%	0.567	29%	0.287	S	S	*	.	S	Bend	trans	88.7	-165.8	177.4	0	0	0	0	0	114.5	K119	K119-G157 PolarHBondContact NZ-O 2.84Å
158	K	87.3	Confident	93	Very high	207 Å²	207	61.4 Å²	61.4	90%	0.9	32%	0.316	S	S	*	.			trans	-80	143.6	173.2	-66.4	-173.7	178.1	-174.8	0	109.3
159	A	93.3	Very high	93.1	Very high	16 Å²	16	64.2 Å²	64.2	13%	0.132	34%	0.341	C	S	.	.			trans	-128.2	159.7	173.9	0	0	0	0	0	108.1	S117 K119 V154 I161	S117-A159 WeakPolarHBondContact OG-CA 3.08Å; K119-A159 HydrophobicContact CB-CB 4.14Å; K119-A159 HydrophobicContact CD-CB 4.04Å; K119-A159 HydrophobicContact CG-CB 3.79Å; V154-A159 HydrophobicContact CG2-CB 3.72Å; A159-I161 VanDerWaalsContact C-N 3.34Å
160	D	95	Very high	93.1	Very high	56 Å²	56	66 Å²	66	30%	0.299	35%	0.349	S	S	.	.	S	Bend	trans	-72.9	-30.6	176.2	-55.5	-61.8	0	0	0	111.5	W111 I116 S117 G194	W111-D160 HydrophobicContact CE3-CB 4.46Å; W111-D160 HydrophobicContact CH2-CB 3.8Å; W111-D160 WeakPolarHBondContact CH2-O 3.43Å; W111-D160 HydrophobicContact CZ2-CB 4.09Å; W111-D160 WeakPolarHBondContact CZ2-O 3.46Å; W111-D160 HydrophobicContact CZ3-CB 4Å; I116-D160 HydrophobicContact CG2-CB 3.76Å; S117-D160 WeakPolarHBondContact CB-OD2 3.37Å; S117-D160 PolarHBondContact N-OD2 2.85Å; S117-D160 WeakPolarHBondContact O-CB 3.35Å; S117-D160 PolarHBondContact O-N 3.27Å; S117-D160 PolarHBondContact OG-N 2.72Å; S117-D160 PolarHBondContact OG-OD2 3.43Å; D160-G194 VanDerWaalsContact O-O 3.14Å
161	I	97.4	Very high	92.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.5	177.3	-63.6	177.5	0	0	0	109.3	W111 I116 S117 Y118 K119 A159 L163 G195 V197 L222	W111-I161 HydrophobicContact CZ2-CG1 4.49Å; I116-I161 HydrophobicContact CG2-CD1 3.75Å; I116-I161 HydrophobicContact CG2-CG1 4Å; S117-I161 PolarHBondContact O-N 2.91Å; Y118-I161 CarbonylContact C-O 3.49Å; Y118-I161 WeakPolarHBondContact CA-O 3.15Å; K119-I161 PolarHBondContact N-O 3.04Å; A159-I161 VanDerWaalsContact C-N 3.34Å; I161-L163 HydrophobicContact CG2-CD2 3.69Å; I161-L163 HydrophobicContact CG2-CG 4.19Å; I161-G195 WeakPolarHBondContact CG1-O 3.35Å; I161-G195 WeakPolarHBondContact CG2-O 3.25Å; I161-V197 HydrophobicContact CG2-CG2 4.37Å; I161-L222 HydrophobicContact CD1-CD2 4.18Å; I161-L222 HydrophobicContact CG2-CD2 4.16Å
162	V	97.1	Very high	92.2	Very high	22 Å²	22	63.3 Å²	63.3	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.7	169.9	-172	0	0	0	0	110	K119 A121 D196 V197	K119-V162 HydrophobicContact CD-CG2 4.36Å; K119-V162 HydrophobicContact CG-CB 4.48Å; K119-V162 HydrophobicContact CG-CG1 4.18Å; K119-V162 HydrophobicContact CG-CG2 4.07Å; A121-V162 HydrophobicContact CB-CG1 3.59Å; V162-D196 WeakPolarHBondContact CA-OD1 3.41Å; V162-D196 HydrophobicContact CB-CB 4.45Å; V162-D196 WeakPolarHBondContact CB-OD1 3.48Å; V162-D196 VanDerWaalsContact CG2-OD1 3.31Å; V162-D196 WeakPolarHBondContact CG2-OD1 3.36Å; V162-D196 PolarHBondContact N-OD1 3.02Å; V162-D196 WeakPolarHBondContact O-CA 3.47Å; V162-V197 PolarHBondContact O-N 2.93Å
163	L	98.3	Very high	91.8	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.4	174.5	-53.4	175.9	0	0	0	108.6	Y118 K119 I120 A121 F136 I161 V197 F199 L222	Y118-L163 HydrophobicContact CD2-CD1 4.02Å; K119-L163 PolarHBondContact O-N 2.97Å; I120-L163 CarbonylContact C-O 3.52Å; I120-L163 WeakPolarHBondContact CA-O 3.18Å; I120-L163 HydrophobicContact CG1-CB 4.39Å; I120-L163 HydrophobicContact CG1-CD1 4.22Å; A121-L163 PolarHBondContact N-O 3.4Å; F136-L163 HydrophobicContact CB-CD1 3.97Å; F136-L163 HydrophobicContact CD1-CD1 4.07Å; F136-L163 HydrophobicContact CD2-CD1 3.42Å; F136-L163 VanDerWaalsContact CD2-CD1 3.42Å; F136-L163 HydrophobicContact CE1-CD1 4.4Å; F136-L163 HydrophobicContact CE2-CB 4.06Å; F136-L163 HydrophobicContact CE2-CD1 3.78Å; F136-L163 HydrophobicContact CG-CD1 3.57Å; F136-L163 HydrophobicContact CZ-CB 4.31Å; F136-L163 HydrophobicContact CZ-CD1 4.26Å; I161-L163 HydrophobicContact CG2-CD2 3.69Å; I161-L163 HydrophobicContact CG2-CG 4.19Å; L163-V197 HydrophobicContact CD2-CB 3.64Å; L163-V197 HydrophobicContact CD2-CG1 4.49Å; L163-V197 HydrophobicContact CD2-CG2 3.66Å; L163-F199 HydrophobicContact CB-CE2 4.5Å; L163-F199 HydrophobicContact CD2-CE2 4.36Å; L163-L222 HydrophobicContact CD2-CD2 4.21Å
164	S	97.7	Very high	91.6	Very high	16 Å²	16	68.4 Å²	68.4	11%	0.112	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.4	177.1	78.2	0	0	0	0	112.9	V197 H198 F199	S164-V197 PolarHBondContact N-O 3.25Å; S164-H198 CarbonylContact O-C 3.59Å; S164-H198 WeakPolarHBondContact O-CA 3.26Å; S164-H198 PolarHBondContact OG-CD2 2.82Å; S164-F199 PolarHBondContact O-N 2.95Å
165	F	98.5	Very high	91.6	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.018	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.6	172.2	-61.3	-105.9	0	0	0	109.6	K122 T124 V132 F136 F199 E201 W205 L214	K122-F165 WeakPolarHBondContact CD-O 3.47Å; K122-F165 VanDerWaalsContact O-CD2 3.32Å; K122-F165 WeakPolarHBondContact O-CD2 3.21Å; T124-F165 HydrophobicContact CG2-CD1 4.25Å; T124-F165 HydrophobicContact CG2-CE1 3.69Å; T124-F165 HydrophobicContact CG2-CE2 4.28Å; T124-F165 HydrophobicContact CG2-CZ 3.72Å; V132-F165 HydrophobicContact CG1-CE2 4.19Å; V132-F165 HydrophobicContact CG1-CZ 4.41Å; F136-F165 HydrophobicContact CE2-CE2 4.32Å; F136-F165 AromaticContact CZ-CE2 3.87Å; F136-F165 HydrophobicContact CZ-CE2 3.87Å; F136-F165 AromaticContact CZ-CZ 3.92Å; F136-F165 HydrophobicContact CZ-CZ 3.92Å; F165-F199 WeakPolarHBondContact CA-O 3.07Å; F165-F199 HydrophobicContact CD1-CB 3.5Å; F165-F199 HydrophobicContact CD1-CG 4.3Å; F165-F199 HydrophobicContact CE1-CB 3.72Å; F165-F199 HydrophobicContact CE1-CD2 4.45Å; F165-F199 HydrophobicContact CE1-CG 4.1Å; F165-F199 HydrophobicContact CE2-CD2 4.5Å; F165-F199 HydrophobicContact CG-CB 4.07Å; F165-F199 HydrophobicContact CZ-CB 4.45Å; F165-F199 HydrophobicContact CZ-CD2 4.38Å; F165-F199 HydrophobicContact CZ-CG 4.41Å; F165-E201 HydrophobicContact CB-CB 4.21Å; F165-E201 HydrophobicContact CB-CG 4.46Å; F165-E201 WeakPolarHBondContact CB-OE2 3.38Å; F165-E201 WeakPolarHBondContact CG-OE2 3.26Å; F165-W205 AromaticContact CD1-CD1 4Å; F165-W205 AromaticContact CD1-NE1 3.7Å; F165-W205 AromaticContact CE1-CD1 3.79Å; F165-W205 HydrophobicContact CE1-CD2 4.14Å; F165-W205 AromaticContact CE1-CE2 3.97Å; F165-W205 HydrophobicContact CE1-CG 4.03Å; F165-W205 AromaticContact CE1-NE1 3.73Å; F165-L214 HydrophobicContact CE1-CD1 3.88Å; F165-L214 HydrophobicContact CZ-CD1 3.7Å; F165-L214 HydrophobicContact CZ-CD2 3.93Å; F165-L214 HydrophobicContact CZ-CG 4.49Å
166	A	96.8	Very high	92.1	Very high	9 Å²	9	64.4 Å²	64.4	7%	0.074	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.2	-178.3	0	0	0	0	0	112.2	H170 F176 F199 E201	A166-H170 HydrophobicContact CB-CB 3.37Å; A166-F176 WeakPolarHBondContact O-CD2 3.36Å; A166-F199 PolarHBondContact N-O 3.19Å; A166-E201 PolarHBondContact O-N 2.63Å
167	H	95.8	Very high	92.8	Very high	103 Å²	103	60.3 Å²	60.3	48%	0.477	34%	0.341	S	S	.	.			trans	-99.1	138.2	176.5	-55.6	-87.1	0	0	0	110.2	A169 E201 D202	H167-A169 PolarHBondContact O-N 3.04Å; H167-E201 VanDerWaalsContact CE1-CB 3.42Å; H167-E201 WeakPolarHBondContact CE1-CB 3.19Å; H167-E201 WeakPolarHBondContact CE1-CG 3.46Å; H167-E201 WeakPolarHBondContact NE2-CG 3.46Å; H167-D202 IonicContact CE1-OD1 3.44Å; H167-D202 IonicContact CG-OD1 3.25Å; H167-D202 IonicContact ND1-OD1 2.72Å; H167-D202 PolarHBondContact ND1-OD1 3.33Å
168	R	93.9	Very high	93.2	Very high	158 Å²	158	57.8 Å²	57.8	60%	0.596	31%	0.314	S	S	*	.	S	Bend	trans	45	-120.3	165.8	-57.1	-178.1	-176.1	-174.3	-3.3	112.8	H170 P175 F176 D202	R168-H170 PolarHBondContact O-N 2.95Å; R168-H170 PolarHBondContact O-ND1 3.28Å; R168-P175 CarbonylContact O-C 3.6Å; R168-P175 VanDerWaalsContact O-CA 3.26Å; R168-P175 WeakPolarHBondContact O-CA 3.17Å; R168-F176 PolarHBondContact O-N 3.16Å; R168-D202 IonicContact NE-OD2 2.76Å
169	A	94.5	Very high	93.5	Very high	85 Å²	85	52.8 Å²	52.8	70%	0.702	30%	0.303	S	S	*	.			trans	-76	115.7	177.4	0	0	0	0	0	111.2	H167 P175	H167-A169 PolarHBondContact O-N 3.04Å; A169-P175 HydrophobicContact CB-CB 4.23Å
170	H	93.5	Very high	93.1	Very high	41 Å²	41	54 Å²	54	19%	0.19	32%	0.318	C	S	.	.			trans	-131.1	23.6	-170.1	57	-89.4	0	0	0	114.9	A166 R168 D172 S174 F176 H185 H198	A166-H170 HydrophobicContact CB-CB 3.37Å; R168-H170 PolarHBondContact O-N 2.95Å; R168-H170 PolarHBondContact O-ND1 3.28Å; H170-D172 IonicContact CD2-OD1 3.52Å; H170-D172 IonicContact CD2-OD2 3.83Å; H170-D172 IonicContact CE1-OD1 3.44Å; H170-D172 IonicContact NE2-OD1 2.73Å; H170-D172 PolarHBondContact NE2-OD1 3.42Å; H170-D172 IonicContact NE2-OD2 3.55Å; H170-D172 PolarHBondContact NE2-OD2 3.2Å; H170-D172 VanDerWaalsContact NE2-OD2 3.08Å; H170-S174 PolarHBondContact CE1-O 3.38Å; H170-F176 AromaticContact CE1-CD2 3.52Å; H170-F176 AromaticContact CE1-CE2 3.29Å; H170-F176 WeakPolarHBondContact CE1-CE2 3.47Å; H170-F176 AromaticContact CE1-CZ 3.62Å; H170-F176 AromaticContact ND1-CD2 3.64Å; H170-F176 AromaticContact ND1-CE2 3.71Å; H170-F176 AromaticContact NE2-CE2 3.85Å; H170-F176 AromaticContact NE2-CZ 3.99Å; H170-H185 AromaticContact CE1-CE1 3.49Å; H170-H185 PolarHBondContact CE1-CE1 3.22Å; H170-H185 VanDerWaalsContact CE1-CE1 3.49Å; H170-H185 AromaticContact NE2-CE1 3.29Å; H170-H185 PolarHBondContact NE2-CE1 3.46Å; H170-H185 VanDerWaalsContact NE2-CE1 3.29Å; H170-H185 AromaticContact NE2-NE2 3.36Å; H170-H185 PolarHBondContact NE2-NE2 3.31Å; H170-H198 AromaticContact CD2-CE1 3.87Å; H170-H198 AromaticContact CD2-CG 3.81Å; H170-H198 AromaticContact CD2-ND1 3.21Å; H170-H198 PolarHBondContact CD2-ND1 3.08Å; H170-H198 AromaticContact NE2-CG 3.63Å; H170-H198 AromaticContact NE2-ND1 3.06Å; H170-H198 PolarHBondContact NE2-ND1 2.84Å
171	G	86.4	Confident	93	Very high	72 Å²	72	52.3 Å²	52.3	74%	0.742	31%	0.313	S	S	*	.	S	Bend	trans	98	4.7	164.1	0	0	0	0	0	116.5
172	D	84.3	Confident	93	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.048	31%	0.314	C	S	.	.	S	Bend	trans	-120.1	10.8	-176.5	70.3	-5.1	0	0	0	114.2	H170 S174 H185 F187 M193 H198	H170-D172 IonicContact CD2-OD1 3.52Å; H170-D172 IonicContact CD2-OD2 3.83Å; H170-D172 IonicContact CE1-OD1 3.44Å; H170-D172 IonicContact NE2-OD1 2.73Å; H170-D172 PolarHBondContact NE2-OD1 3.42Å; H170-D172 IonicContact NE2-OD2 3.55Å; H170-D172 PolarHBondContact NE2-OD2 3.2Å; H170-D172 VanDerWaalsContact NE2-OD2 3.08Å; D172-S174 PolarHBondContact O-N 2.87Å; D172-S174 PolarHBondContact OD1-N 3.21Å; D172-H185 IonicContact OD2-CD2 3.53Å; D172-H185 IonicContact OD2-CE1 3.35Å; D172-H185 PolarHBondContact OD2-CE1 2.81Å; D172-H185 IonicContact OD2-NE2 3.71Å; D172-H185 PolarHBondContact OD2-NE2 3.14Å; D172-F187 HydrophobicContact CB-CE2 4.25Å; D172-F187 HydrophobicContact CB-CZ 3.8Å; D172-F187 WeakPolarHBondContact OD2-CZ 3.34Å; D172-M193 HydrophobicContact CB-SD 4.12Å; D172-H198 IonicContact OD2-CE1 2.66Å; D172-H198 PolarHBondContact OD2-CE1 2.92Å; D172-H198 VanDerWaalsContact OD2-CE1 3.25Å; D172-H198 IonicContact OD2-ND1 2.75Å; D172-H198 PolarHBondContact OD2-ND1 2.87Å
173	F	85.6	Confident	93	Very high	201 Å²	201	51.5 Å²	51.5	88%	0.882	31%	0.308	S	S	*	.	S	Bend	trans	65.6	10.3	-176.9	-51.5	-82.3	0	0	0	116	P175	F173-P175 WeakPolarHBondContact O-CD 3.38Å
174	S	87.8	Confident	93	Very high	47 Å²	47	51.5 Å²	51.5	33%	0.329	31%	0.308	S	S	.	.			trans	-118.3	72.4	177.3	-65	0	0	0	0	110.7	H170 D172 H185	H170-S174 PolarHBondContact CE1-O 3.38Å; D172-S174 PolarHBondContact O-N 2.87Å; D172-S174 PolarHBondContact OD1-N 3.21Å; S174-H185 VanDerWaalsContact CB-CE1 3.42Å; S174-H185 WeakPolarHBondContact CB-CE1 3.5Å; S174-H185 PolarHBondContact O-CE1 2.89Å
175	P	92.4	Very high	92.9	Very high	69 Å²	69	51.1 Å²	51.1	45%	0.448	30%	0.304	S	S	.	.			trans	-65.1	143.9	-175.4	28	-35.2	0	0	0	112.9	R40 R168 A169 F173	R40-P175 PolarHBondContact NH2-O 3.09Å; R168-P175 CarbonylContact O-C 3.6Å; R168-P175 VanDerWaalsContact O-CA 3.26Å; R168-P175 WeakPolarHBondContact O-CA 3.17Å; A169-P175 HydrophobicContact CB-CB 4.23Å; F173-P175 WeakPolarHBondContact O-CD 3.38Å
176	F	95.7	Very high	92.8	Very high	10 Å²	10	51 Å²	51	4%	0.044	30%	0.304	C	S	.	.			trans	-74.4	161.5	167.5	-61.7	-52.9	0	0	0	112.6	A166 R168 H170 V182 H185 H198 D200	A166-F176 WeakPolarHBondContact O-CD2 3.36Å; R168-F176 PolarHBondContact O-N 3.16Å; H170-F176 AromaticContact CE1-CD2 3.52Å; H170-F176 AromaticContact CE1-CE2 3.29Å; H170-F176 WeakPolarHBondContact CE1-CE2 3.47Å; H170-F176 AromaticContact CE1-CZ 3.62Å; H170-F176 AromaticContact ND1-CD2 3.64Å; H170-F176 AromaticContact ND1-CE2 3.71Å; H170-F176 AromaticContact NE2-CE2 3.85Å; H170-F176 AromaticContact NE2-CZ 3.99Å; F176-V182 HydrophobicContact CD1-CG1 3.81Å; F176-V182 HydrophobicContact CE1-CG1 4Å; F176-H185 AromaticContact CE1-CE1 3.9Å; F176-H185 AromaticContact CE1-ND1 3.57Å; F176-H185 AromaticContact CZ-CE1 3.99Å; F176-H198 HydrophobicContact CE2-CB 4.2Å; F176-H198 HydrophobicContact CZ-CB 3.78Å; F176-H198 WeakPolarHBondContact CZ-O 3.28Å; F176-D200 HydrophobicContact CB-CB 4.1Å; F176-D200 VanDerWaalsContact CB-CG 3.45Å; F176-D200 VanDerWaalsContact CB-OD2 3.27Å; F176-D200 WeakPolarHBondContact CB-OD2 3.45Å; F176-D200 HydrophobicContact CD1-CB 3.96Å; F176-D200 HydrophobicContact CD2-CB 3.67Å; F176-D200 HydrophobicContact CE1-CB 4.31Å; F176-D200 HydrophobicContact CE2-CB 4.02Å; F176-D200 HydrophobicContact CG-CB 3.66Å; F176-D200 HydrophobicContact CZ-CB 4.34Å
177	D	93.5	Very high	92.5	Very high	86 Å²	86	52.1 Å²	52.1	46%	0.46	31%	0.307	S	S	.	.			trans	-104	-2.2	-173.1	39.7	15.1	0	0	0	114.9	R40 V182	R40-D177 IonicContact NH1-OD2 2.74Å; R40-D177 PolarHBondContact NH1-OD2 3.14Å; D177-V182 WeakPolarHBondContact OD1-CB 3.35Å; D177-V182 PolarHBondContact OD1-N 3.18Å
178	G	91.9	Very high	92.1	Very high	1 Å²	1	48 Å²	48	1%	0.01	29%	0.288	C	S	.	.	S	Bend	trans	93.5	-163.1	-178.3	0	0	0	0	0	111.8	G180 D202	G178-G180 PolarHBondContact O-N 3.21Å; G178-D202 WeakPolarHBondContact CA-OD2 3.22Å
179	P	94.3	Very high	92	Very high	103 Å²	103	41 Å²	41	67%	0.669	26%	0.264	S	S	*	.	S	Bend	trans	-64.2	126.4	-169.7	-21.2	31.5	0	0	0	113.1	D202	P179-D202 HydrophobicContact CG-CB 4.39Å
180	G	84.4	Confident	91.6	Very high	42 Å²	42	38.7 Å²	38.7	43%	0.433	25%	0.248	S	C	.	.	S	Bend	trans	69.8	118.8	-177.6	0	0	0	0	0	112.2	G178 E203	G178-G180 PolarHBondContact O-N 3.21Å; G180-E203 VanDerWaalsContact CA-OE1 3.25Å; G180-E203 WeakPolarHBondContact CA-OE1 3.37Å; G180-E203 PolarHBondContact N-OE1 2.98Å; G180-E203 PolarHBondContact N-OE2 3.07Å
181	G	93.6	Very high	91.2	Very high	20 Å²	20	46 Å²	46	21%	0.206	28%	0.282	C	S	.	.	S	Bend	trans	145.4	-106.8	179.3	0	0	0	0	0	109.5	P92 R93	P92-G181 CarbonylContact C-O 3.45Å; P92-G181 VanDerWaalsContact CA-O 3.28Å; P92-G181 WeakPolarHBondContact CA-O 3.35Å; R93-G181 PolarHBondContact N-O 3Å
182	V	96.3	Very high	91.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.6	173.4	172.3	0	0	0	0	110.5	R40 F41 R93 F176 D177	R40-V182 VanDerWaalsContact CZ-CG2 3.42Å; F41-V182 HydrophobicContact CE1-CG2 4.38Å; F41-V182 HydrophobicContact CZ-CG2 3.79Å; R93-V182 WeakPolarHBondContact O-CA 3.5Å; F176-V182 HydrophobicContact CD1-CG1 3.81Å; F176-V182 HydrophobicContact CE1-CG1 4Å; D177-V182 WeakPolarHBondContact OD1-CB 3.35Å; D177-V182 PolarHBondContact OD1-N 3.18Å
183	L	97.8	Very high	91.2	Very high	3 Å²	3	50 Å²	50	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-36	-176.6	-57.3	-177.4	0	0	0	113.1	P92 R93 D200 E203 W205 F212 V217 Y242	P92-L183 HydrophobicContact CB-CD1 4.08Å; P92-L183 HydrophobicContact CB-CD2 3.95Å; P92-L183 HydrophobicContact CB-CG 4.08Å; R93-L183 PolarHBondContact O-N 2.68Å; L183-D200 PolarHBondContact O-N 3.24Å; L183-E203 HydrophobicContact CD2-CG 3.94Å; L183-E203 VanDerWaalsContact CD2-OE1 3.32Å; L183-E203 WeakPolarHBondContact CD2-OE1 3.1Å; L183-W205 HydrophobicContact CB-CH2 4.38Å; L183-W205 WeakPolarHBondContact O-CH2 3.34Å; L183-W205 WeakPolarHBondContact O-CZ2 3.21Å; L183-F212 HydrophobicContact CD1-CD1 3.55Å; L183-F212 HydrophobicContact CD1-CE1 3.89Å; L183-F212 HydrophobicContact CD1-CG 4.14Å; L183-F212 HydrophobicContact CD2-CD1 3.72Å; L183-F212 HydrophobicContact CD2-CD2 3.81Å; L183-F212 HydrophobicContact CD2-CE1 3.66Å; L183-F212 HydrophobicContact CD2-CE2 3.74Å; L183-F212 HydrophobicContact CD2-CG 3.81Å; L183-F212 HydrophobicContact CD2-CZ 3.66Å; L183-F212 HydrophobicContact CG-CD1 4.31Å; L183-F212 HydrophobicContact CG-CE1 4.41Å; L183-V217 HydrophobicContact CB-CG1 4.25Å; L183-V217 HydrophobicContact CB-CG2 4.36Å; L183-V217 HydrophobicContact CD1-CG2 3.87Å; L183-Y242 HydrophobicContact CD1-CD1 4.38Å; L183-Y242 HydrophobicContact CD1-CD2 3.69Å; L183-Y242 HydrophobicContact CD1-CE2 4.49Å; L183-Y242 HydrophobicContact CD1-CG 3.62Å
184	A	98.1	Very high	91.4	Very high	0 Å²	0	41 Å²	41	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	168.8	-176	0	0	0	0	0	110	G95 H198 F199 V217 E221	G95-A184 PolarHBondContact N-O 2.74Å; A184-H198 CarbonylContact C-O 3.5Å; A184-H198 WeakPolarHBondContact CA-O 3.33Å; A184-H198 WeakPolarHBondContact CB-O 3.41Å; A184-F199 HydrophobicContact CB-CD1 3.87Å; A184-F199 HydrophobicContact CB-CE1 4.37Å; A184-F199 HydrophobicContact CB-CG 4.46Å; A184-V217 HydrophobicContact CB-CG1 3.51Å; A184-E221 HydrophobicContact CB-CG 3.56Å
185	H	96.1	Very high	91.5	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.1	163.1	61.6	-129.5	0	0	0	111	V96 H170 D172 S174 F176 H198 E221	V96-H185 HydrophobicContact CG2-CB 4.22Å; H170-H185 AromaticContact CE1-CE1 3.49Å; H170-H185 PolarHBondContact CE1-CE1 3.22Å; H170-H185 VanDerWaalsContact CE1-CE1 3.49Å; H170-H185 AromaticContact NE2-CE1 3.29Å; H170-H185 PolarHBondContact NE2-CE1 3.46Å; H170-H185 VanDerWaalsContact NE2-CE1 3.29Å; H170-H185 AromaticContact NE2-NE2 3.36Å; H170-H185 PolarHBondContact NE2-NE2 3.31Å; D172-H185 IonicContact OD2-CD2 3.53Å; D172-H185 IonicContact OD2-CE1 3.35Å; D172-H185 PolarHBondContact OD2-CE1 2.81Å; D172-H185 IonicContact OD2-NE2 3.71Å; D172-H185 PolarHBondContact OD2-NE2 3.14Å; S174-H185 VanDerWaalsContact CB-CE1 3.42Å; S174-H185 WeakPolarHBondContact CB-CE1 3.5Å; S174-H185 PolarHBondContact O-CE1 2.89Å; F176-H185 AromaticContact CE1-CE1 3.9Å; F176-H185 AromaticContact CE1-ND1 3.57Å; F176-H185 AromaticContact CZ-CE1 3.99Å; H185-H198 PolarHBondContact N-O 3.38Å; H185-H198 AromaticContact NE2-CG 3.82Å; H185-H198 AromaticContact NE2-ND1 3.31Å; H185-H198 PolarHBondContact NE2-ND1 3.07Å; H185-H198 PolarHBondContact O-N 3.47Å; H185-E221 VanDerWaalsContact CA-OE2 3.22Å; H185-E221 WeakPolarHBondContact CA-OE2 3.46Å
186	A	95.4	Very high	91.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.9	173.2	0	0	0	0	0	112.7	Y102 D196 V197 E221 H224	Y102-A186 PolarHBondContact OH-O 3.2Å; A186-D196 VanDerWaalsContact CA-O 3.26Å; A186-D196 WeakPolarHBondContact CA-O 3.39Å; A186-V197 HydrophobicContact CB-CB 4.42Å; A186-V197 HydrophobicContact CB-CG1 4.4Å; A186-V197 HydrophobicContact CB-CG2 3.94Å; A186-E221 HydrophobicContact CB-CB 4.04Å; A186-E221 VanDerWaalsContact CB-O 3.23Å; A186-E221 WeakPolarHBondContact CB-O 3.32Å; A186-E221 PolarHBondContact N-OE2 3.28Å; A186-E221 VanDerWaalsContact N-OE2 3.15Å; A186-H224 HydrophobicContact CB-CB 3.86Å
187	F	91.1	Very high	91.8	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.145	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-93.9	144.6	173	-63.9	-80.4	0	0	0	110.9	D172 M193 G195 D196 H198 S225	D172-F187 HydrophobicContact CB-CE2 4.25Å; D172-F187 HydrophobicContact CB-CZ 3.8Å; D172-F187 WeakPolarHBondContact OD2-CZ 3.34Å; F187-M193 VanDerWaalsContact CB-O 3.23Å; F187-M193 WeakPolarHBondContact CB-O 3.39Å; F187-M193 HydrophobicContact CD2-CB 4.33Å; F187-M193 WeakPolarHBondContact CD2-O 3.44Å; F187-G195 WeakPolarHBondContact O-CA 3.43Å; F187-G195 PolarHBondContact O-N 3.23Å; F187-D196 HydrophobicContact CD2-CB 4.19Å; F187-D196 PolarHBondContact N-O 2.85Å; F187-H198 AromaticContact CE2-CE1 3.94Å; F187-S225 WeakPolarHBondContact O-CA 3.29Å
188	Q	88.3	Confident	92	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.075	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.2	159.9	172.5	-69	-69.9	-26.2	0	0	111.9	Y102 P109 G190 G194 G195 H224 G227 L228	Y102-Q188 HydrophobicContact CD1-CB 3.93Å; Y102-Q188 HydrophobicContact CD1-CG 3.35Å; Y102-Q188 HydrophobicContact CD2-CG 4.27Å; Y102-Q188 HydrophobicContact CE1-CB 4.15Å; Y102-Q188 HydrophobicContact CE1-CG 3.7Å; Y102-Q188 HydrophobicContact CG-CG 3.66Å; P109-Q188 HydrophobicContact CB-CB 4.46Å; P109-Q188 HydrophobicContact CG-CB 3.86Å; P109-Q188 HydrophobicContact CG-CG 4.3Å; Q188-G190 PolarHBondContact O-N 3.36Å; Q188-G194 CarbonylContact O-C 3.52Å; Q188-G194 WeakPolarHBondContact O-CA 3.37Å; Q188-G195 PolarHBondContact O-N 2.98Å; Q188-H224 PolarHBondContact OE1-O 3.03Å; Q188-G227 VanDerWaalsContact OE1-C 3.31Å; Q188-L228 PolarHBondContact NE2-O 3.3Å
189	P	91.4	Very high	92.3	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.084	21%	0.212	C	C	.	.	S	Bend	trans	-52.2	131.7	177.6	-28.8	35.7	0	0	0	113.1	P109 W111 S225	P109-P189 HydrophobicContact CB-CB 4.45Å; P109-P189 WeakPolarHBondContact CB-O 3.48Å; P109-P189 WeakPolarHBondContact O-CD 3Å; P109-P189 WeakPolarHBondContact O-CG 3.19Å; W111-P189 HydrophobicContact CD2-CB 3.95Å; W111-P189 HydrophobicContact CG-CB 4.16Å; W111-P189 HydrophobicContact CZ2-CB 4.14Å; P189-S225 WeakPolarHBondContact CG-O 3.16Å
190	G	86.7	Confident	92.5	Very high	35 Å²	35	27.5 Å²	27.5	36%	0.361	18%	0.18	S	C	.	.			trans	175.9	-176.5	-178.3	0	0	0	0	0	114	W111 Q188	W111-G190 WeakPolarHBondContact CH2-O 3.37Å; Q188-G190 PolarHBondContact O-N 3.36Å
191	E	83.3	Confident	93.2	Very high	195 Å²	195	26.8 Å²	26.8	91%	0.911	17%	0.166	S	C	*	.	S	Bend	trans	-81.4	159.8	173.2	-63.5	-174	173.8	0	0	111.4	M193 G194	E191-M193 PolarHBondContact O-N 3.27Å; E191-G194 PolarHBondContact O-N 3.27Å
192	G	86.6	Confident	93.4	Very high	75 Å²	75	27.8 Å²	27.8	77%	0.773	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-113.1	176.4	0	0	0	0	0	111.7	G194	G192-G194 VanDerWaalsContact C-N 3.29Å
193	M	85.6	Confident	93.4	Very high	90 Å²	90	28.1 Å²	28.1	44%	0.443	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.3	176.4	-63.7	-177.9	-67.4	0	0	112.7	D172 F187 E191 G195 D196	D172-M193 HydrophobicContact CB-SD 4.12Å; F187-M193 VanDerWaalsContact CB-O 3.23Å; F187-M193 WeakPolarHBondContact CB-O 3.39Å; F187-M193 HydrophobicContact CD2-CB 4.33Å; F187-M193 WeakPolarHBondContact CD2-O 3.44Å; E191-M193 PolarHBondContact O-N 3.27Å; M193-G195 PolarHBondContact O-N 2.76Å; M193-D196 WeakPolarHBondContact O-CB 3.39Å; M193-D196 PolarHBondContact O-N 2.81Å
194	G	88.6	Confident	93.4	Very high	11 Å²	11	32.1 Å²	32.1	11%	0.113	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	124.3	178.5	0	0	0	0	0	111.1	W111 D160 Q188 E191 G192	W111-G194 WeakPolarHBondContact CH2-O 3.5Å; D160-G194 VanDerWaalsContact O-O 3.14Å; Q188-G194 CarbonylContact O-C 3.52Å; Q188-G194 WeakPolarHBondContact O-CA 3.37Å; E191-G194 PolarHBondContact O-N 3.27Å; G192-G194 VanDerWaalsContact C-N 3.29Å
195	G	90.7	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-12.1	-173.7	0	0	0	0	0	115.5	I161 F187 Q188 M193 S225	I161-G195 WeakPolarHBondContact CG1-O 3.35Å; I161-G195 WeakPolarHBondContact CG2-O 3.25Å; F187-G195 WeakPolarHBondContact O-CA 3.43Å; F187-G195 PolarHBondContact O-N 3.23Å; Q188-G195 PolarHBondContact O-N 2.98Å; M193-G195 PolarHBondContact O-N 2.76Å; G195-S225 WeakPolarHBondContact O-CB 3.43Å; G195-S225 PolarHBondContact O-OG 3.5Å
196	D	95.7	Very high	93.2	Very high	16 Å²	16	32.8 Å²	32.8	9%	0.086	20%	0.197	C	C	.	.			trans	-69.5	145.3	-177.9	-70.6	-9.4	0	0	0	111.4	V162 A186 F187 M193	V162-D196 WeakPolarHBondContact CA-OD1 3.41Å; V162-D196 HydrophobicContact CB-CB 4.45Å; V162-D196 WeakPolarHBondContact CB-OD1 3.48Å; V162-D196 VanDerWaalsContact CG2-OD1 3.31Å; V162-D196 WeakPolarHBondContact CG2-OD1 3.36Å; V162-D196 PolarHBondContact N-OD1 3.02Å; V162-D196 WeakPolarHBondContact O-CA 3.47Å; A186-D196 VanDerWaalsContact CA-O 3.26Å; A186-D196 WeakPolarHBondContact CA-O 3.39Å; F187-D196 HydrophobicContact CD2-CB 4.19Å; F187-D196 PolarHBondContact N-O 2.85Å; M193-D196 WeakPolarHBondContact O-CB 3.39Å; M193-D196 PolarHBondContact O-N 2.81Å
197	V	98.2	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.2	178.2	-173.5	0	0	0	0	109.5	I161 V162 L163 S164 A186 F199 E221 L222 S225	I161-V197 HydrophobicContact CG2-CG2 4.37Å; V162-V197 PolarHBondContact O-N 2.93Å; L163-V197 HydrophobicContact CD2-CB 3.64Å; L163-V197 HydrophobicContact CD2-CG1 4.49Å; L163-V197 HydrophobicContact CD2-CG2 3.66Å; S164-V197 PolarHBondContact N-O 3.25Å; A186-V197 HydrophobicContact CB-CB 4.42Å; A186-V197 HydrophobicContact CB-CG1 4.4Å; A186-V197 HydrophobicContact CB-CG2 3.94Å; V197-F199 HydrophobicContact CB-CE2 4.09Å; V197-F199 HydrophobicContact CB-CZ 4.39Å; V197-F199 HydrophobicContact CG1-CD2 4.13Å; V197-F199 HydrophobicContact CG1-CE1 4.11Å; V197-F199 HydrophobicContact CG1-CE2 3.47Å; V197-F199 VanDerWaalsContact CG1-CE2 3.47Å; V197-F199 HydrophobicContact CG1-CZ 3.45Å; V197-F199 VanDerWaalsContact CG1-CZ 3.45Å; V197-E221 HydrophobicContact CG1-CB 3.46Å; V197-E221 VanDerWaalsContact CG1-CB 3.46Å; V197-E221 HydrophobicContact CG1-CG 3.97Å; V197-E221 HydrophobicContact CG2-CB 4.34Å; V197-L222 HydrophobicContact CG2-CD2 4.24Å; V197-S225 WeakPolarHBondContact CG2-OG 3.2Å
198	H	98.2	Very high	92.1	Very high	18 Å²	18	37.2 Å²	37.2	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.6	175.8	-59.6	160.5	0	0	0	109.7	S164 H170 D172 F176 A184 H185 F187	S164-H198 CarbonylContact O-C 3.59Å; S164-H198 WeakPolarHBondContact O-CA 3.26Å; S164-H198 PolarHBondContact OG-CD2 2.82Å; H170-H198 AromaticContact CD2-CE1 3.87Å; H170-H198 AromaticContact CD2-CG 3.81Å; H170-H198 AromaticContact CD2-ND1 3.21Å; H170-H198 PolarHBondContact CD2-ND1 3.08Å; H170-H198 AromaticContact NE2-CG 3.63Å; H170-H198 AromaticContact NE2-ND1 3.06Å; H170-H198 PolarHBondContact NE2-ND1 2.84Å; D172-H198 IonicContact OD2-CE1 2.66Å; D172-H198 PolarHBondContact OD2-CE1 2.92Å; D172-H198 VanDerWaalsContact OD2-CE1 3.25Å; D172-H198 IonicContact OD2-ND1 2.75Å; D172-H198 PolarHBondContact OD2-ND1 2.87Å; F176-H198 HydrophobicContact CE2-CB 4.2Å; F176-H198 HydrophobicContact CZ-CB 3.78Å; F176-H198 WeakPolarHBondContact CZ-O 3.28Å; A184-H198 CarbonylContact C-O 3.5Å; A184-H198 WeakPolarHBondContact CA-O 3.33Å; A184-H198 WeakPolarHBondContact CB-O 3.41Å; H185-H198 PolarHBondContact N-O 3.38Å; H185-H198 AromaticContact NE2-CG 3.82Å; H185-H198 AromaticContact NE2-ND1 3.31Å; H185-H198 PolarHBondContact NE2-ND1 3.07Å; H185-H198 PolarHBondContact O-N 3.47Å; F187-H198 AromaticContact CE2-CE1 3.94Å
199	F	98.6	Very high	91.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137	175	-60.8	-87.4	0	0	0	108.9	F136 L163 S164 F165 A166 A184 V197 E201 W205 L214 V217 A218	F136-F199 HydrophobicContact CD1-CZ 4.4Å; F136-F199 HydrophobicContact CE1-CD2 4.42Å; F136-F199 HydrophobicContact CE1-CE1 4.25Å; F136-F199 AromaticContact CE1-CE2 3.58Å; F136-F199 HydrophobicContact CE1-CE2 3.58Å; F136-F199 AromaticContact CE1-CZ 3.48Å; F136-F199 HydrophobicContact CE1-CZ 3.48Å; F136-F199 VanDerWaalsContact CE1-CZ 3.48Å; F136-F199 HydrophobicContact CZ-CD2 4.2Å; F136-F199 AromaticContact CZ-CE2 3.64Å; F136-F199 HydrophobicContact CZ-CE2 3.64Å; F136-F199 HydrophobicContact CZ-CZ 4.05Å; L163-F199 HydrophobicContact CB-CE2 4.5Å; L163-F199 HydrophobicContact CD2-CE2 4.36Å; S164-F199 PolarHBondContact O-N 2.95Å; F165-F199 WeakPolarHBondContact CA-O 3.07Å; F165-F199 HydrophobicContact CD1-CB 3.5Å; F165-F199 HydrophobicContact CD1-CG 4.3Å; F165-F199 HydrophobicContact CE1-CB 3.72Å; F165-F199 HydrophobicContact CE1-CD2 4.45Å; F165-F199 HydrophobicContact CE1-CG 4.1Å; F165-F199 HydrophobicContact CE2-CD2 4.5Å; F165-F199 HydrophobicContact CG-CB 4.07Å; F165-F199 HydrophobicContact CZ-CB 4.45Å; F165-F199 HydrophobicContact CZ-CD2 4.38Å; F165-F199 HydrophobicContact CZ-CG 4.41Å; A166-F199 PolarHBondContact N-O 3.19Å; A184-F199 HydrophobicContact CB-CD1 3.87Å; A184-F199 HydrophobicContact CB-CE1 4.37Å; A184-F199 HydrophobicContact CB-CG 4.46Å; V197-F199 HydrophobicContact CB-CE2 4.09Å; V197-F199 HydrophobicContact CB-CZ 4.39Å; V197-F199 HydrophobicContact CG1-CD2 4.13Å; V197-F199 HydrophobicContact CG1-CE1 4.11Å; V197-F199 HydrophobicContact CG1-CE2 3.47Å; V197-F199 VanDerWaalsContact CG1-CE2 3.47Å; V197-F199 HydrophobicContact CG1-CZ 3.45Å; V197-F199 VanDerWaalsContact CG1-CZ 3.45Å; F199-E201 PolarHBondContact O-N 3Å; F199-W205 HydrophobicContact CB-CH2 4.34Å; F199-W205 HydrophobicContact CB-CZ2 3.77Å; F199-W205 AromaticContact CD1-CH2 3.9Å; F199-W205 HydrophobicContact CD1-CH2 3.9Å; F199-W205 HydrophobicContact CD1-CZ2 4.19Å; F199-W205 HydrophobicContact CD1-CZ3 4.41Å; F199-W205 HydrophobicContact CG-CZ2 4.46Å; F199-L214 HydrophobicContact CD1-CD1 3.91Å; F199-L214 HydrophobicContact CE1-CD1 3.96Å; F199-L214 HydrophobicContact CG-CD1 4.38Å; F199-L214 HydrophobicContact CZ-CD1 4.47Å; F199-V217 HydrophobicContact CD1-CG1 4.2Å; F199-V217 HydrophobicContact CE1-CG1 4.15Å; F199-A218 HydrophobicContact CE1-CB 3.91Å; F199-A218 HydrophobicContact CZ-CB 3.77Å
200	D	98.4	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.4	176.7	-168.7	3	0	0	0	110.2	F176 L183 D202 E203 W205	F176-D200 HydrophobicContact CB-CB 4.1Å; F176-D200 VanDerWaalsContact CB-CG 3.45Å; F176-D200 VanDerWaalsContact CB-OD2 3.27Å; F176-D200 WeakPolarHBondContact CB-OD2 3.45Å; F176-D200 HydrophobicContact CD1-CB 3.96Å; F176-D200 HydrophobicContact CD2-CB 3.67Å; F176-D200 HydrophobicContact CE1-CB 4.31Å; F176-D200 HydrophobicContact CE2-CB 4.02Å; F176-D200 HydrophobicContact CG-CB 3.66Å; F176-D200 HydrophobicContact CZ-CB 4.34Å; L183-D200 PolarHBondContact O-N 3.24Å; D200-D202 PolarHBondContact O-N 3.36Å; D200-D202 WeakPolarHBondContact OD1-CB 3.36Å; D200-D202 PolarHBondContact OD1-N 2.81Å; D200-E203 HydrophobicContact CB-CG 3.99Å; D200-E203 PolarHBondContact O-N 2.58Å; D200-W205 WeakPolarHBondContact O-CZ2 3.33Å; D200-W205 PolarHBondContact O-NE1 2.77Å
201	E	98.1	Very high	91.2	Very high	26 Å²	26	47.4 Å²	47.4	12%	0.121	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7	178.5	-167.7	68.2	-107	0	0	112.2	T124 P125 F165 A166 H167 F199 E203	T124-E201 WeakPolarHBondContact CA-OE1 3.16Å; T124-E201 WeakPolarHBondContact CA-OE2 3.42Å; T124-E201 WeakPolarHBondContact CB-OE1 3.41Å; T124-E201 WeakPolarHBondContact CB-OE2 3.4Å; T124-E201 PolarHBondContact OG1-OE1 3.43Å; P125-E201 VanDerWaalsContact CD-OE1 3.22Å; P125-E201 WeakPolarHBondContact CD-OE1 3.09Å; F165-E201 HydrophobicContact CB-CB 4.21Å; F165-E201 HydrophobicContact CB-CG 4.46Å; F165-E201 WeakPolarHBondContact CB-OE2 3.38Å; F165-E201 WeakPolarHBondContact CG-OE2 3.26Å; A166-E201 PolarHBondContact O-N 2.63Å; H167-E201 VanDerWaalsContact CE1-CB 3.42Å; H167-E201 WeakPolarHBondContact CE1-CB 3.19Å; H167-E201 WeakPolarHBondContact CE1-CG 3.46Å; H167-E201 WeakPolarHBondContact NE2-CG 3.46Å; F199-E201 PolarHBondContact O-N 3Å; E201-E203 PolarHBondContact O-N 3.5Å
202	D	97.8	Very high	91.7	Very high	42 Å²	42	39.3 Å²	39.3	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.6	168.7	-72.7	-18.8	0	0	0	112.3	H167 R168 G178 P179 D200	H167-D202 IonicContact CE1-OD1 3.44Å; H167-D202 IonicContact CG-OD1 3.25Å; H167-D202 IonicContact ND1-OD1 2.72Å; H167-D202 PolarHBondContact ND1-OD1 3.33Å; R168-D202 IonicContact NE-OD2 2.76Å; G178-D202 WeakPolarHBondContact CA-OD2 3.22Å; P179-D202 HydrophobicContact CG-CB 4.39Å; D200-D202 PolarHBondContact O-N 3.36Å; D200-D202 WeakPolarHBondContact OD1-CB 3.36Å; D200-D202 PolarHBondContact OD1-N 2.81Å
203	E	97.6	Very high	92.1	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.037	23%	0.228	C	C	.	.	S	Bend	trans	-92	150.8	176.8	-59.9	-66	-170.1	0	0	113.2	G180 L183 D200 E201 W205 F212	G180-E203 VanDerWaalsContact CA-OE1 3.25Å; G180-E203 WeakPolarHBondContact CA-OE1 3.37Å; G180-E203 PolarHBondContact N-OE1 2.98Å; G180-E203 PolarHBondContact N-OE2 3.07Å; L183-E203 HydrophobicContact CD2-CG 3.94Å; L183-E203 VanDerWaalsContact CD2-OE1 3.32Å; L183-E203 WeakPolarHBondContact CD2-OE1 3.1Å; D200-E203 HydrophobicContact CB-CG 3.99Å; D200-E203 PolarHBondContact O-N 2.58Å; E201-E203 PolarHBondContact O-N 3.5Å; E203-W205 HydrophobicContact CB-CZ2 4.16Å; E203-W205 PolarHBondContact O-N 3.1Å; E203-F212 HydrophobicContact CB-CD2 4.09Å; E203-F212 HydrophobicContact CG-CD2 4.42Å; E203-F212 WeakPolarHBondContact OE2-CE2 3.44Å
204	T	96.6	Very high	92.5	Very high	87 Å²	87	32.3 Å²	32.3	53%	0.534	21%	0.206	S	C	.	.			trans	-86.1	105.4	175.2	-52	0	0	0	0	111.5	D126 F212	D126-T204 WeakPolarHBondContact OD2-CA 3.26Å; T204-F212 PolarHBondContact O-N 2.88Å
205	W	96.8	Very high	92.8	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.7	-176.8	-64.8	101.8	0	0	0	112.7	T124 D126 L127 F165 L183 F199 D200 E203 F212 L214 V217	T124-W205 HydrophobicContact CG2-CB 4.27Å; T124-W205 HydrophobicContact CG2-CG 4.48Å; D126-W205 HydrophobicContact CB-CB 4.26Å; D126-W205 PolarHBondContact OD2-N 2.85Å; L127-W205 HydrophobicContact CD1-CB 4.21Å; F165-W205 AromaticContact CD1-CD1 4Å; F165-W205 AromaticContact CD1-NE1 3.7Å; F165-W205 AromaticContact CE1-CD1 3.79Å; F165-W205 HydrophobicContact CE1-CD2 4.14Å; F165-W205 AromaticContact CE1-CE2 3.97Å; F165-W205 HydrophobicContact CE1-CG 4.03Å; F165-W205 AromaticContact CE1-NE1 3.73Å; L183-W205 HydrophobicContact CB-CH2 4.38Å; L183-W205 WeakPolarHBondContact O-CH2 3.34Å; L183-W205 WeakPolarHBondContact O-CZ2 3.21Å; F199-W205 HydrophobicContact CB-CH2 4.34Å; F199-W205 HydrophobicContact CB-CZ2 3.77Å; F199-W205 AromaticContact CD1-CH2 3.9Å; F199-W205 HydrophobicContact CD1-CH2 3.9Å; F199-W205 HydrophobicContact CD1-CZ2 4.19Å; F199-W205 HydrophobicContact CD1-CZ3 4.41Å; F199-W205 HydrophobicContact CG-CZ2 4.46Å; D200-W205 WeakPolarHBondContact O-CZ2 3.33Å; D200-W205 PolarHBondContact O-NE1 2.77Å; E203-W205 HydrophobicContact CB-CZ2 4.16Å; E203-W205 PolarHBondContact O-N 3.1Å; W205-F212 HydrophobicContact CE3-CB 4.28Å; W205-F212 HydrophobicContact CZ3-CB 4.15Å; W205-L214 HydrophobicContact CD2-CD1 4.13Å; W205-L214 HydrophobicContact CE3-CB 3.94Å; W205-L214 HydrophobicContact CE3-CD1 3.77Å; W205-L214 HydrophobicContact CE3-CG 4.47Å; W205-L214 HydrophobicContact CZ3-CD1 4.1Å; W205-V217 HydrophobicContact CH2-CB 4.15Å; W205-V217 HydrophobicContact CH2-CG1 3.98Å; W205-V217 HydrophobicContact CH2-CG2 4.19Å; W205-V217 HydrophobicContact CZ3-CB 3.85Å; W205-V217 HydrophobicContact CZ3-CG1 4.2Å; W205-V217 HydrophobicContact CZ3-CG2 3.78Å
206	T	93.9	Very high	92.9	Very high	20 Å²	20	34 Å²	34	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.8	-178.3	67.7	0	0	0	0	111.9	G208 Q210 F212 S213 L214	T206-G208 VanDerWaalsContact C-N 3.26Å; T206-Q210 VanDerWaalsContact CG2-O 3.28Å; T206-Q210 WeakPolarHBondContact CG2-O 3.38Å; T206-F212 PolarHBondContact N-O 3.29Å; T206-F212 PolarHBondContact OG1-O 2.88Å; T206-F212 VanDerWaalsContact OG1-O 3.08Å; T206-S213 WeakPolarHBondContact O-CA 3.28Å; T206-L214 PolarHBondContact O-N 3.36Å
207	T	86.3	Confident	92.9	Very high	83 Å²	83	33.6 Å²	33.6	51%	0.509	21%	0.21	S	C	.	.	S	Bend	trans	-83.5	-5.5	166.9	53.2	0	0	0	0	112.5	L127 D131	L127-T207 HydrophobicContact CD1-CG2 4.29Å; L127-T207 HydrophobicContact CD2-CG2 4.04Å; D131-T207 HydrophobicContact CB-CG2 3.71Å
208	G	75.9	Confident	92.8	Very high	43 Å²	43	33.6 Å²	33.6	44%	0.443	21%	0.21	S	C	.	.	S	Bend	trans	155.8	158.6	179.8	0	0	0	0	0	110.8	T206	T206-G208 VanDerWaalsContact C-N 3.26Å
209	G	76.9	Confident	92.7	Very high	68 Å²	68	32.8 Å²	32.8	70%	0.701	21%	0.206	S	C	*	.	S	Bend	trans	106.5	-142.4	-179.8	0	0	0	0	0	113.5
210	Q	82.1	Confident	92.6	Very high	189 Å²	189	33.3 Å²	33.3	88%	0.883	21%	0.208	S	C	*	.	S	Bend	trans	-81.7	125.7	176.8	-67.8	-164.5	-8.3	0	0	110.2	T206	T206-Q210 VanDerWaalsContact CG2-O 3.28Å; T206-Q210 WeakPolarHBondContact CG2-O 3.38Å
211	G	89.7	Confident	92.6	Very high	22 Å²	22	33.4 Å²	33.4	23%	0.227	21%	0.209	C	C	.	.	S	Bend	trans	119.1	-166.9	-172	0	0	0	0	0	111.8	H244	G211-H244 PolarHBondContact O-CE1 2.81Å; G211-H244 VanDerWaalsContact O-CE1 3.25Å
212	F	93.7	Very high	92.6	Very high	24 Å²	24	32.2 Å²	32.2	11%	0.105	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.5	-179.9	-61.1	-73.9	0	0	0	110.8	P92 L183 E203 T204 W205 T206 L214 Y242	P92-F212 HydrophobicContact CB-CE1 3.71Å; P92-F212 HydrophobicContact CB-CZ 3.98Å; P92-F212 HydrophobicContact CG-CE1 3.8Å; P92-F212 HydrophobicContact CG-CZ 3.82Å; L183-F212 HydrophobicContact CD1-CD1 3.55Å; L183-F212 HydrophobicContact CD1-CE1 3.89Å; L183-F212 HydrophobicContact CD1-CG 4.14Å; L183-F212 HydrophobicContact CD2-CD1 3.72Å; L183-F212 HydrophobicContact CD2-CD2 3.81Å; L183-F212 HydrophobicContact CD2-CE1 3.66Å; L183-F212 HydrophobicContact CD2-CE2 3.74Å; L183-F212 HydrophobicContact CD2-CG 3.81Å; L183-F212 HydrophobicContact CD2-CZ 3.66Å; L183-F212 HydrophobicContact CG-CD1 4.31Å; L183-F212 HydrophobicContact CG-CE1 4.41Å; E203-F212 HydrophobicContact CB-CD2 4.09Å; E203-F212 HydrophobicContact CG-CD2 4.42Å; E203-F212 WeakPolarHBondContact OE2-CE2 3.44Å; T204-F212 PolarHBondContact O-N 2.88Å; W205-F212 HydrophobicContact CE3-CB 4.28Å; W205-F212 HydrophobicContact CZ3-CB 4.15Å; T206-F212 PolarHBondContact N-O 3.29Å; T206-F212 PolarHBondContact OG1-O 2.88Å; T206-F212 VanDerWaalsContact OG1-O 3.08Å; F212-L214 PolarHBondContact O-N 3.43Å; F212-Y242 AromaticContact CD1-CD1 3.68Å; F212-Y242 HydrophobicContact CD1-CD1 3.68Å; F212-Y242 HydrophobicContact CD1-CD2 4.48Å; F212-Y242 AromaticContact CD1-CE1 3.61Å; F212-Y242 HydrophobicContact CD1-CE1 3.61Å; F212-Y242 HydrophobicContact CD1-CE2 4.42Å; F212-Y242 HydrophobicContact CD1-CG 4.13Å; F212-Y242 AromaticContact CE1-CD1 3.88Å; F212-Y242 HydrophobicContact CE1-CD1 3.88Å; F212-Y242 HydrophobicContact CE1-CE1 4.14Å; F212-Y242 HydrophobicContact CE1-CG 4.45Å
213	S	94.1	Very high	92.5	Very high	19 Å²	19	30.2 Å²	30.2	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	113.2	178.5	177.6	0	0	0	0	109	T206 F215 A216 V217 Y242	T206-S213 WeakPolarHBondContact O-CA 3.28Å; S213-F215 PolarHBondContact O-N 3.33Å; S213-A216 PolarHBondContact O-N 2.94Å; S213-A216 VanDerWaalsContact O-N 3.11Å; S213-A216 PolarHBondContact OG-N 3.11Å; S213-V217 PolarHBondContact O-N 3.41Å; S213-V217 VanDerWaalsContact O-N 3.07Å; S213-Y242 WeakPolarHBondContact CB-OH 3.41Å; S213-Y242 PolarHBondContact N-OH 2.84Å
214	L	95.6	Very high	92.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-39.2	179	179	60.8	0	0	0	111.4	L127 V132 F136 F165 F199 W205 T206 F212 A218	L127-L214 HydrophobicContact CD1-CB 4.22Å; L127-L214 HydrophobicContact CD1-CD2 3.95Å; V132-L214 HydrophobicContact CB-CD2 4.24Å; V132-L214 HydrophobicContact CG1-CD2 4.14Å; V132-L214 HydrophobicContact CG2-CD2 4.02Å; F136-L214 HydrophobicContact CE1-CD1 3.81Å; F136-L214 HydrophobicContact CE1-CD2 4.2Å; F136-L214 HydrophobicContact CE1-CG 4.03Å; F136-L214 HydrophobicContact CZ-CD1 4.21Å; F136-L214 HydrophobicContact CZ-CD2 4.32Å; F165-L214 HydrophobicContact CE1-CD1 3.88Å; F165-L214 HydrophobicContact CZ-CD1 3.7Å; F165-L214 HydrophobicContact CZ-CD2 3.93Å; F165-L214 HydrophobicContact CZ-CG 4.49Å; F199-L214 HydrophobicContact CD1-CD1 3.91Å; F199-L214 HydrophobicContact CE1-CD1 3.96Å; F199-L214 HydrophobicContact CG-CD1 4.38Å; F199-L214 HydrophobicContact CZ-CD1 4.47Å; W205-L214 HydrophobicContact CD2-CD1 4.13Å; W205-L214 HydrophobicContact CE3-CB 3.94Å; W205-L214 HydrophobicContact CE3-CD1 3.77Å; W205-L214 HydrophobicContact CE3-CG 4.47Å; W205-L214 HydrophobicContact CZ3-CD1 4.1Å; T206-L214 PolarHBondContact O-N 3.36Å; F212-L214 PolarHBondContact O-N 3.43Å; L214-A218 WeakPolarHBondContact O-CB 3.46Å; L214-A218 PolarHBondContact O-N 3.03Å
215	F	94	Very high	92.4	Very high	42 Å²	42	25.7 Å²	25.7	18%	0.184	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-44.7	176.3	160.9	-106.1	0	0	0	112.6	L138 A139 M142 S213 A219 Y250	L138-F215 HydrophobicContact CB-CD2 3.64Å; L138-F215 HydrophobicContact CB-CE2 3.59Å; A139-F215 HydrophobicContact CB-CD2 4.06Å; A139-F215 HydrophobicContact CB-CE2 4.37Å; M142-F215 HydrophobicContact CG-CE2 4.26Å; M142-F215 HydrophobicContact CG-CZ 4.27Å; M142-F215 HydrophobicContact SD-CE1 4.32Å; M142-F215 HydrophobicContact SD-CE2 3.5Å; M142-F215 VanDerWaalsContact SD-CE2 3.5Å; M142-F215 HydrophobicContact SD-CZ 3.26Å; M142-F215 WeakPolarHBondContact SD-CZ 3.36Å; S213-F215 PolarHBondContact O-N 3.33Å; F215-A219 VanDerWaalsContact O-CB 3.29Å; F215-A219 WeakPolarHBondContact O-CB 3.41Å; F215-A219 PolarHBondContact O-N 3.05Å; F215-Y250 HydrophobicContact CD1-CD1 4.45Å; F215-Y250 AromaticContact CE1-CD1 3.68Å; F215-Y250 HydrophobicContact CE1-CD1 3.68Å; F215-Y250 AromaticContact CE1-CG 3.95Å; F215-Y250 HydrophobicContact CE1-CG 3.95Å; F215-Y250 HydrophobicContact CZ-CD1 4.03Å
216	A	92.6	Very high	92.3	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-45.4	-178.8	0	0	0	0	0	111.7	S213 A219 H220 Y242 Y250	S213-A216 PolarHBondContact O-N 2.94Å; S213-A216 VanDerWaalsContact O-N 3.11Å; S213-A216 PolarHBondContact OG-N 3.11Å; A216-A219 PolarHBondContact O-N 3.28Å; A216-H220 PolarHBondContact O-N 2.99Å; A216-Y242 HydrophobicContact CB-CE2 4.09Å; A216-Y250 HydrophobicContact CB-CD2 4.33Å; A216-Y250 HydrophobicContact CB-CE1 4.21Å; A216-Y250 HydrophobicContact CB-CE2 3.76Å; A216-Y250 PolarHBondContact O-OH 2.74Å
217	V	96.1	Very high	92.2	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-65.7	-46	177	-179.2	0	0	0	0	110.3	L183 A184 F199 W205 S213 A219 H220 E221 Y242	L183-V217 HydrophobicContact CB-CG1 4.25Å; L183-V217 HydrophobicContact CB-CG2 4.36Å; L183-V217 HydrophobicContact CD1-CG2 3.87Å; A184-V217 HydrophobicContact CB-CG1 3.51Å; F199-V217 HydrophobicContact CD1-CG1 4.2Å; F199-V217 HydrophobicContact CE1-CG1 4.15Å; W205-V217 HydrophobicContact CH2-CB 4.15Å; W205-V217 HydrophobicContact CH2-CG1 3.98Å; W205-V217 HydrophobicContact CH2-CG2 4.19Å; W205-V217 HydrophobicContact CZ3-CB 3.85Å; W205-V217 HydrophobicContact CZ3-CG1 4.2Å; W205-V217 HydrophobicContact CZ3-CG2 3.78Å; S213-V217 PolarHBondContact O-N 3.41Å; S213-V217 VanDerWaalsContact O-N 3.07Å; V217-A219 VanDerWaalsContact C-N 3.3Å; V217-A219 PolarHBondContact O-N 3.43Å; V217-H220 WeakPolarHBondContact O-CB 3.28Å; V217-H220 PolarHBondContact O-N 3.43Å; V217-H220 VanDerWaalsContact O-N 3.14Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; V217-E221 WeakPolarHBondContact O-CG 3.47Å; V217-E221 PolarHBondContact O-N 2.99Å; V217-Y242 HydrophobicContact CG2-CD2 3.8Å; V217-Y242 HydrophobicContact CG2-CE2 3.74Å
218	A	97	Very high	92.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-38.5	177.6	0	0	0	0	0	112.8	F136 A139 F199 L214 H220 E221 L222	F136-A218 HydrophobicContact CD1-CB 3.67Å; F136-A218 HydrophobicContact CE1-CB 3.86Å; A139-A218 HydrophobicContact CB-CB 4.02Å; F199-A218 HydrophobicContact CE1-CB 3.91Å; F199-A218 HydrophobicContact CZ-CB 3.77Å; L214-A218 WeakPolarHBondContact O-CB 3.46Å; L214-A218 PolarHBondContact O-N 3.03Å; A218-H220 VanDerWaalsContact C-N 3.31Å; A218-H220 PolarHBondContact O-N 2.69Å; A218-E221 PolarHBondContact O-N 3.18Å; A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 WeakPolarHBondContact O-CD1 3.12Å; A218-L222 WeakPolarHBondContact O-CG 3.3Å; A218-L222 PolarHBondContact O-N 3.05Å
219	A	95.9	Very high	93.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176.4	0	0	0	0	0	111.7	A139 M142 W143 F215 A216 V217 G223 V237 Y250	A139-A219 HydrophobicContact CB-CB 4.02Å; M142-A219 HydrophobicContact SD-CB 4Å; W143-A219 WeakPolarHBondContact CZ2-O 3.36Å; W143-A219 PolarHBondContact NE1-O 3Å; F215-A219 VanDerWaalsContact O-CB 3.29Å; F215-A219 WeakPolarHBondContact O-CB 3.41Å; F215-A219 PolarHBondContact O-N 3.05Å; A216-A219 PolarHBondContact O-N 3.28Å; V217-A219 VanDerWaalsContact C-N 3.3Å; V217-A219 PolarHBondContact O-N 3.43Å; A219-G223 PolarHBondContact O-N 3.45Å; A219-V237 HydrophobicContact CB-CG1 4.13Å; A219-Y250 HydrophobicContact CB-CE1 3.93Å
220	H	96.3	Very high	93.9	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.051	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-55.3	174.6	-177.6	104.8	0	0	0	112.1	C94 A216 V217 A218 L222 G223 H224 H230 V237 M238 F239	C94-H220 VanDerWaalsContact CB-NE2 3.32Å; C94-H220 WeakPolarHBondContact CB-NE2 3.25Å; A216-H220 PolarHBondContact O-N 2.99Å; V217-H220 WeakPolarHBondContact O-CB 3.28Å; V217-H220 PolarHBondContact O-N 3.43Å; V217-H220 VanDerWaalsContact O-N 3.14Å; A218-H220 VanDerWaalsContact C-N 3.31Å; A218-H220 PolarHBondContact O-N 2.69Å; H220-L222 VanDerWaalsContact C-N 3.29Å; H220-L222 PolarHBondContact O-N 3.19Å; H220-G223 WeakPolarHBondContact O-CA 3.11Å; H220-G223 PolarHBondContact O-N 2.91Å; H220-H224 AromaticContact CD2-CD2 3.93Å; H220-H224 AromaticContact CD2-NE2 3.87Å; H220-H224 AromaticContact NE2-CD2 3.88Å; H220-H224 AromaticContact NE2-NE2 3.32Å; H220-H224 PolarHBondContact NE2-NE2 3.42Å; H220-H224 PolarHBondContact O-N 3.41Å; H220-H230 AromaticContact CE1-CD2 3.54Å; H220-H230 AromaticContact CE1-NE2 3.66Å; H220-H230 AromaticContact NE2-CD2 3.41Å; H220-H230 PolarHBondContact NE2-CD2 3.5Å; H220-H230 AromaticContact NE2-NE2 3.19Å; H220-H230 PolarHBondContact NE2-NE2 3.21Å; H220-H230 VanDerWaalsContact NE2-NE2 3.19Å; H220-V237 HydrophobicContact CB-CG1 4.27Å; H220-V237 PolarHBondContact ND1-O 2.98Å; H220-M238 VanDerWaalsContact O-SD 3.33Å; H220-F239 PolarHBondContact CE1-O 3.15Å; H220-F239 PolarHBondContact ND1-O 2.97Å
221	E	97.9	Very high	94.2	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-65	-32.7	-175.4	-60.9	-50.2	147.5	0	0	113.1	C94 A184 H185 A186 V197 V217 A218 G223 H224 S225	C94-E221 WeakPolarHBondContact CB-OE1 3.46Å; C94-E221 PolarHBondContact SG-OE1 3.32Å; C94-E221 PolarHBondContact SG-OE2 2.97Å; C94-E221 VanDerWaalsContact SG-OE2 3.37Å; A184-E221 HydrophobicContact CB-CG 3.56Å; H185-E221 VanDerWaalsContact CA-OE2 3.22Å; H185-E221 WeakPolarHBondContact CA-OE2 3.46Å; A186-E221 HydrophobicContact CB-CB 4.04Å; A186-E221 VanDerWaalsContact CB-O 3.23Å; A186-E221 WeakPolarHBondContact CB-O 3.32Å; A186-E221 PolarHBondContact N-OE2 3.28Å; A186-E221 VanDerWaalsContact N-OE2 3.15Å; V197-E221 HydrophobicContact CG1-CB 3.46Å; V197-E221 VanDerWaalsContact CG1-CB 3.46Å; V197-E221 HydrophobicContact CG1-CG 3.97Å; V197-E221 HydrophobicContact CG2-CB 4.34Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; V217-E221 WeakPolarHBondContact O-CG 3.47Å; V217-E221 PolarHBondContact O-N 2.99Å; A218-E221 PolarHBondContact O-N 3.18Å; E221-G223 PolarHBondContact O-N 3.15Å; E221-H224 WeakPolarHBondContact O-CB 3.19Å; E221-H224 PolarHBondContact O-N 2.92Å; E221-H224 IonicContact OE2-CD2 2.71Å; E221-S225 PolarHBondContact O-N 2.86Å; E221-S225 PolarHBondContact O-OG 3.28Å
222	L	97.9	Very high	94.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-67	-27.8	172.9	-74.9	167.3	0	0	0	112	A139 L140 I161 L163 V197 A218 H220 H224 S225 L226	A139-L222 HydrophobicContact CB-CD1 3.78Å; L140-L222 HydrophobicContact CD2-CD1 3.62Å; L140-L222 HydrophobicContact CD2-CD2 3.72Å; L140-L222 HydrophobicContact CD2-CG 4.22Å; L140-L222 HydrophobicContact CG-CD1 3.73Å; I161-L222 HydrophobicContact CD1-CD2 4.18Å; I161-L222 HydrophobicContact CG2-CD2 4.16Å; L163-L222 HydrophobicContact CD2-CD2 4.21Å; V197-L222 HydrophobicContact CG2-CD2 4.24Å; A218-L222 WeakPolarHBondContact O-CB 3.46Å; A218-L222 WeakPolarHBondContact O-CD1 3.12Å; A218-L222 WeakPolarHBondContact O-CG 3.3Å; A218-L222 PolarHBondContact O-N 3.05Å; H220-L222 VanDerWaalsContact C-N 3.29Å; H220-L222 PolarHBondContact O-N 3.19Å; L222-H224 VanDerWaalsContact C-N 3.34Å; L222-S225 WeakPolarHBondContact O-CB 3.46Å; L222-S225 PolarHBondContact O-N 3.01Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CG 3.13Å; L222-L226 PolarHBondContact O-N 2.99Å
223	G	96	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-43.1	170.6	0	0	0	0	0	111.8	A219 H220 E221 L226 G227 L228	A219-G223 PolarHBondContact O-N 3.45Å; H220-G223 WeakPolarHBondContact O-CA 3.11Å; H220-G223 PolarHBondContact O-N 2.91Å; E221-G223 PolarHBondContact O-N 3.15Å; G223-L226 CarbonylContact O-C 3.57Å; G223-L226 WeakPolarHBondContact O-CB 3.43Å; G223-L226 PolarHBondContact O-N 3.01Å; G223-L226 VanDerWaalsContact O-N 3.15Å; G223-G227 PolarHBondContact O-N 3.18Å; G223-L228 VanDerWaalsContact O-CB 3.27Å; G223-L228 WeakPolarHBondContact O-CB 3.07Å; G223-L228 PolarHBondContact O-N 3.36Å
224	H	94.8	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-44.1	171.7	-71.2	-44.7	0	0	0	112.6	A186 Q188 H220 E221 L222 L226 G227 L228 H230 M238	A186-H224 HydrophobicContact CB-CB 3.86Å; Q188-H224 PolarHBondContact OE1-O 3.03Å; H220-H224 AromaticContact CD2-CD2 3.93Å; H220-H224 AromaticContact CD2-NE2 3.87Å; H220-H224 AromaticContact NE2-CD2 3.88Å; H220-H224 AromaticContact NE2-NE2 3.32Å; H220-H224 PolarHBondContact NE2-NE2 3.42Å; H220-H224 PolarHBondContact O-N 3.41Å; E221-H224 WeakPolarHBondContact O-CB 3.19Å; E221-H224 PolarHBondContact O-N 2.92Å; E221-H224 IonicContact OE2-CD2 2.71Å; L222-H224 VanDerWaalsContact C-N 3.34Å; H224-L226 PolarHBondContact O-N 3.16Å; H224-G227 PolarHBondContact O-N 2.99Å; H224-L228 PolarHBondContact ND1-O 3.19Å; H224-H230 AromaticContact CE1-CD2 3.5Å; H224-H230 PolarHBondContact CE1-CD2 2.91Å; H224-H230 VanDerWaalsContact CE1-CD2 3.5Å; H224-H230 AromaticContact CE1-NE2 3.8Å; H224-H230 AromaticContact NE2-CD2 3.36Å; H224-H230 PolarHBondContact NE2-CD2 2.84Å; H224-H230 AromaticContact NE2-NE2 3.24Å; H224-H230 PolarHBondContact NE2-NE2 3.07Å; H224-M238 WeakPolarHBondContact CE1-CE 3.24Å; H224-M238 WeakPolarHBondContact ND1-CE 3.4Å
225	S	96.2	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-18.3	175.4	-52	0	0	0	0	113	W111 F187 P189 G195 V197 E221 L222	W111-S225 PolarHBondContact NE1-O 3Å; F187-S225 WeakPolarHBondContact O-CA 3.29Å; P189-S225 WeakPolarHBondContact CG-O 3.16Å; G195-S225 WeakPolarHBondContact O-CB 3.43Å; G195-S225 PolarHBondContact O-OG 3.5Å; V197-S225 WeakPolarHBondContact CG2-OG 3.2Å; E221-S225 PolarHBondContact O-N 2.86Å; E221-S225 PolarHBondContact O-OG 3.28Å; L222-S225 WeakPolarHBondContact O-CB 3.46Å; L222-S225 PolarHBondContact O-N 3.01Å
226	L	95.6	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-4	176.6	-69.5	173.3	0	0	0	113.7	I116 W143 L149 F151 L222 G223 H224 I260 Y264	I116-L226 HydrophobicContact CD1-CD2 3.48Å; I116-L226 VanDerWaalsContact CD1-CD2 3.48Å; W143-L226 HydrophobicContact CB-CD1 3.62Å; W143-L226 HydrophobicContact CD2-CD1 4.1Å; W143-L226 HydrophobicContact CG-CD1 3.59Å; L149-L226 HydrophobicContact CD1-CD1 3.99Å; L149-L226 HydrophobicContact CD1-CD2 3.79Å; L149-L226 HydrophobicContact CD1-CG 4.46Å; F151-L226 HydrophobicContact CE1-CD2 3.97Å; F151-L226 HydrophobicContact CZ-CD1 4.06Å; F151-L226 HydrophobicContact CZ-CD2 3.94Å; L222-L226 WeakPolarHBondContact O-CB 3.45Å; L222-L226 WeakPolarHBondContact O-CG 3.13Å; L222-L226 PolarHBondContact O-N 2.99Å; G223-L226 CarbonylContact O-C 3.57Å; G223-L226 WeakPolarHBondContact O-CB 3.43Å; G223-L226 PolarHBondContact O-N 3.01Å; G223-L226 VanDerWaalsContact O-N 3.15Å; H224-L226 PolarHBondContact O-N 3.16Å; L226-I260 HydrophobicContact CB-CD1 3.85Å; L226-I260 HydrophobicContact CD1-CD1 3.96Å; L226-Y264 HydrophobicContact CB-CE2 4.21Å; L226-Y264 WeakPolarHBondContact O-CE2 3.36Å; L226-Y264 VanDerWaalsContact O-CZ 3.24Å; L226-Y264 PolarHBondContact O-OH 3.46Å
227	G	91.3	Very high	92.8	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.6	-3.6	178.6	0	0	0	0	0	115	P109 Q188 G223 H224	P109-G227 VanDerWaalsContact O-CA 3.3Å; P109-G227 WeakPolarHBondContact O-CA 3.09Å; Q188-G227 VanDerWaalsContact OE1-C 3.31Å; G223-G227 PolarHBondContact O-N 3.18Å; H224-G227 PolarHBondContact O-N 2.99Å
228	L	92.2	Very high	92.7	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.073	14%	0.135	C	C	.	.			trans	-79.6	154.9	-178.7	-58	178	0	0	0	111.3	W143 Q188 G223 H224 M238 G259 I260 L263	W143-L228 HydrophobicContact CE3-CD1 4.29Å; W143-L228 HydrophobicContact CH2-CD1 3.38Å; W143-L228 HydrophobicContact CZ2-CD1 4.17Å; W143-L228 HydrophobicContact CZ3-CD1 3.46Å; W143-L228 VanDerWaalsContact CZ3-CD1 3.46Å; Q188-L228 PolarHBondContact NE2-O 3.3Å; G223-L228 VanDerWaalsContact O-CB 3.27Å; G223-L228 WeakPolarHBondContact O-CB 3.07Å; G223-L228 PolarHBondContact O-N 3.36Å; H224-L228 PolarHBondContact ND1-O 3.19Å; L228-M238 HydrophobicContact CB-CE 4.08Å; L228-M238 HydrophobicContact CB-CG 4.25Å; L228-M238 HydrophobicContact CB-SD 4.32Å; L228-M238 HydrophobicContact CD1-CG 3.98Å; L228-M238 HydrophobicContact CD1-SD 4.26Å; L228-G259 VanDerWaalsContact CD2-C 3.44Å; L228-I260 HydrophobicContact CD1-CB 4.28Å; L228-I260 HydrophobicContact CD1-CD1 4.14Å; L228-I260 HydrophobicContact CD2-CB 4.48Å; L228-I260 HydrophobicContact CD2-CD1 4.42Å; L228-I260 HydrophobicContact CG-CD1 4.22Å; L228-L263 HydrophobicContact CD2-CD1 3.81Å; L228-L263 HydrophobicContact CG-CD1 4.47Å
229	T	90.4	Very high	92.5	Very high	100 Å²	100	25.8 Å²	25.8	61%	0.613	14%	0.139	S	C	*	.			trans	-114.2	169.5	173.2	57.7	0	0	0	0	109.6	S231	T229-S231 PolarHBondContact O-N 3.48Å
230	H	91.9	Very high	92.4	Very high	25 Å²	25	25.9 Å²	25.9	12%	0.116	14%	0.14	C	C	.	.			trans	-56.9	136.9	175.7	-73.4	155.4	0	0	0	112.4	R93 C94 V96 D98 H220 H224 M238 P240	R93-H230 PolarHBondContact NH2-CE1 3.12Å; R93-H230 VanDerWaalsContact NH2-CE1 3.34Å; C94-H230 WeakPolarHBondContact CB-NE2 3.25Å; V96-H230 PolarHBondContact O-CE1 2.87Å; D98-H230 IonicContact OD1-CE1 3.68Å; D98-H230 PolarHBondContact OD1-CE1 3.01Å; D98-H230 IonicContact OD1-CG 2.73Å; D98-H230 IonicContact OD1-ND1 3.02Å; D98-H230 PolarHBondContact OD1-ND1 3.4Å; H220-H230 AromaticContact CE1-CD2 3.54Å; H220-H230 AromaticContact CE1-NE2 3.66Å; H220-H230 AromaticContact NE2-CD2 3.41Å; H220-H230 PolarHBondContact NE2-CD2 3.5Å; H220-H230 AromaticContact NE2-NE2 3.19Å; H220-H230 PolarHBondContact NE2-NE2 3.21Å; H220-H230 VanDerWaalsContact NE2-NE2 3.19Å; H224-H230 AromaticContact CE1-CD2 3.5Å; H224-H230 PolarHBondContact CE1-CD2 2.91Å; H224-H230 VanDerWaalsContact CE1-CD2 3.5Å; H224-H230 AromaticContact CE1-NE2 3.8Å; H224-H230 AromaticContact NE2-CD2 3.36Å; H224-H230 PolarHBondContact NE2-CD2 2.84Å; H224-H230 AromaticContact NE2-NE2 3.24Å; H224-H230 PolarHBondContact NE2-NE2 3.07Å; H230-M238 CarbonylContact C-O 3.58Å; H230-M238 VanDerWaalsContact CA-O 3.26Å; H230-M238 WeakPolarHBondContact CA-O 3.41Å; H230-P240 HydrophobicContact CB-CG 3.87Å
231	S	90.3	Very high	92.3	Very high	10 Å²	10	25.9 Å²	25.9	7%	0.07	14%	0.141	C	C	.	.			trans	-88.2	153.2	173.2	-177	0	0	0	0	111	T229 D233 M238 D255	T229-S231 PolarHBondContact O-N 3.48Å; S231-D233 WeakPolarHBondContact OG-CB 3.42Å; S231-D233 PolarHBondContact OG-N 3.41Å; S231-M238 PolarHBondContact N-O 3.02Å; S231-D255 WeakPolarHBondContact CB-OD2 3.3Å; S231-D255 PolarHBondContact OG-OD2 2.76Å
232	R	87.3	Confident	92	Very high	155 Å²	155	27.5 Å²	27.5	59%	0.585	15%	0.147	S	C	*	.	S	Bend	trans	-90.7	-8.9	169	-59.2	-174.3	-172.7	177.5	2.9	112.7	N71 P234	N71-R232 PolarHBondContact OD1-NH1 3.02Å; R232-P234 VanDerWaalsContact O-CD 3.27Å; R232-P234 WeakPolarHBondContact O-CD 3.27Å
233	D	85.6	Confident	91.3	Very high	52 Å²	52	31.5 Å²	31.5	28%	0.278	16%	0.162	S	C	.	.			trans	-78.1	113.9	177.1	178.9	-3	0	0	0	109.4	S231 S235 A236 F239 D255	S231-D233 WeakPolarHBondContact OG-CB 3.42Å; S231-D233 PolarHBondContact OG-N 3.41Å; D233-S235 PolarHBondContact O-N 2.88Å; D233-S235 WeakPolarHBondContact OD1-CA 3.36Å; D233-S235 VanDerWaalsContact OD1-CB 3.24Å; D233-S235 WeakPolarHBondContact OD1-CB 3.48Å; D233-S235 PolarHBondContact OD1-N 3.04Å; D233-S235 PolarHBondContact OD1-OG 3.32Å; D233-S235 PolarHBondContact OD2-OG 3.28Å; D233-A236 HydrophobicContact CB-CB 4.09Å; D233-A236 VanDerWaalsContact O-CB 3.29Å; D233-A236 WeakPolarHBondContact O-CB 3.49Å; D233-A236 PolarHBondContact O-N 3.01Å; D233-F239 WeakPolarHBondContact O-CD2 3.28Å; D233-D255 HydrophobicContact CB-CB 4.33Å
234	P	87	Confident	90.1	Very high	73 Å²	73	37.6 Å²	37.6	47%	0.474	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.2	179.1	-20.5	33.9	0	0	0	113.8	R232 F239 R243	R232-P234 VanDerWaalsContact O-CD 3.27Å; R232-P234 WeakPolarHBondContact O-CD 3.27Å; P234-F239 HydrophobicContact CB-CD2 4.49Å; P234-F239 HydrophobicContact CB-CE2 4.22Å; P234-F239 HydrophobicContact CB-CZ 4.25Å; P234-F239 HydrophobicContact CG-CE2 4.15Å; P234-F239 HydrophobicContact CG-CZ 4.4Å; P234-R243 WeakPolarHBondContact O-CD 3.2Å; P234-R243 PolarHBondContact O-NE 3.23Å; P234-R243 PolarHBondContact O-NH1 3.32Å
235	S	85.6	Confident	88.5	Confident	59 Å²	59	41.5 Å²	41.5	41%	0.413	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-20	175.9	84.9	0	0	0	0	113.5	D233 R243	D233-S235 PolarHBondContact O-N 2.88Å; D233-S235 WeakPolarHBondContact OD1-CA 3.36Å; D233-S235 VanDerWaalsContact OD1-CB 3.24Å; D233-S235 WeakPolarHBondContact OD1-CB 3.48Å; D233-S235 PolarHBondContact OD1-N 3.04Å; D233-S235 PolarHBondContact OD1-OG 3.32Å; D233-S235 PolarHBondContact OD2-OG 3.28Å; S235-R243 VanDerWaalsContact C-NH1 3.26Å; S235-R243 PolarHBondContact O-NH1 3.49Å
236	A	90.6	Very high	86.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.241	C	C	.	.	S	Bend	trans	-68.9	148.1	-177.8	0	0	0	0	0	113.1	D233 M238 F239 S253 D256	D233-A236 HydrophobicContact CB-CB 4.09Å; D233-A236 VanDerWaalsContact O-CB 3.29Å; D233-A236 WeakPolarHBondContact O-CB 3.49Å; D233-A236 PolarHBondContact O-N 3.01Å; A236-M238 VanDerWaalsContact C-N 3.27Å; A236-F239 WeakPolarHBondContact O-CB 3.23Å; A236-F239 PolarHBondContact O-N 3.01Å; A236-S253 WeakPolarHBondContact CA-OG 3.37Å; A236-S253 WeakPolarHBondContact CB-OG 3.49Å; A236-D256 WeakPolarHBondContact CA-OD2 3.33Å
237	V	92.8	Very high	84.1	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.042	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-40.1	168	170.2	0	0	0	0	109.3	M142 W143 A219 H220 F239 Y250 L252 D256	M142-V237 HydrophobicContact CE-CG2 4.16Å; W143-V237 HydrophobicContact CZ2-CG1 4.36Å; A219-V237 HydrophobicContact CB-CG1 4.13Å; H220-V237 HydrophobicContact CB-CG1 4.27Å; H220-V237 PolarHBondContact ND1-O 2.98Å; V237-F239 PolarHBondContact O-N 3.06Å; V237-F239 VanDerWaalsContact O-N 3.11Å; V237-Y250 HydrophobicContact CG1-CE1 4.11Å; V237-Y250 HydrophobicContact CG2-CD1 4.36Å; V237-Y250 HydrophobicContact CG2-CE1 3.68Å; V237-L252 HydrophobicContact CB-CD2 4.24Å; V237-L252 HydrophobicContact CG2-CD2 3.99Å; V237-D256 PolarHBondContact N-OD1 3.4Å; V237-D256 PolarHBondContact N-OD2 3.09Å
238	M	93.9	Very high	82	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.02	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9.1	177.1	-63	-51.1	-57.1	0	0	114.7	W143 H220 H224 L228 H230 S231 A236 D256	W143-M238 HydrophobicContact CH2-CG 4.13Å; W143-M238 HydrophobicContact CH2-SD 4.12Å; W143-M238 HydrophobicContact CZ2-SD 3.98Å; H220-M238 VanDerWaalsContact O-SD 3.33Å; H224-M238 WeakPolarHBondContact CE1-CE 3.24Å; H224-M238 WeakPolarHBondContact ND1-CE 3.4Å; L228-M238 HydrophobicContact CB-CE 4.08Å; L228-M238 HydrophobicContact CB-CG 4.25Å; L228-M238 HydrophobicContact CB-SD 4.32Å; L228-M238 HydrophobicContact CD1-CG 3.98Å; L228-M238 HydrophobicContact CD1-SD 4.26Å; H230-M238 CarbonylContact C-O 3.58Å; H230-M238 VanDerWaalsContact CA-O 3.26Å; H230-M238 WeakPolarHBondContact CA-O 3.41Å; S231-M238 PolarHBondContact N-O 3.02Å; A236-M238 VanDerWaalsContact C-N 3.27Å; M238-D256 WeakPolarHBondContact CG-OD1 3.42Å; M238-D256 PolarHBondContact N-OD1 3.16Å
239	F	93.1	Very high	80.3	Confident	21 Å²	21	67.2 Å²	67.2	9%	0.092	35%	0.348	C	S	.	.			trans	-69.2	135.8	172.3	-169.7	-106.5	0	0	0	110.7	F73 H220 D233 P234 A236 V237 S241	F73-F239 HydrophobicContact CD1-CE1 4.08Å; F73-F239 HydrophobicContact CD1-CE2 4.24Å; F73-F239 AromaticContact CD1-CZ 3.51Å; F73-F239 HydrophobicContact CD1-CZ 3.51Å; F73-F239 HydrophobicContact CE1-CE1 4.06Å; F73-F239 AromaticContact CE1-CZ 3.89Å; F73-F239 HydrophobicContact CE1-CZ 3.89Å; H220-F239 PolarHBondContact CE1-O 3.15Å; H220-F239 PolarHBondContact ND1-O 2.97Å; D233-F239 WeakPolarHBondContact O-CD2 3.28Å; P234-F239 HydrophobicContact CB-CD2 4.49Å; P234-F239 HydrophobicContact CB-CE2 4.22Å; P234-F239 HydrophobicContact CB-CZ 4.25Å; P234-F239 HydrophobicContact CG-CE2 4.15Å; P234-F239 HydrophobicContact CG-CZ 4.4Å; A236-F239 WeakPolarHBondContact O-CB 3.23Å; A236-F239 PolarHBondContact O-N 3.01Å; V237-F239 PolarHBondContact O-N 3.06Å; V237-F239 VanDerWaalsContact O-N 3.11Å; F239-S241 PolarHBondContact O-N 3.1Å
240	P	93.8	Very high	79.5	Confident	2 Å²	2	65 Å²	65	1%	0.013	33%	0.329	C	S	.	.	S	Bend	trans	-62	-38.7	-168.7	-20.3	25.7	0	0	0	115.2	F73 R93 C94 H230	F73-P240 HydrophobicContact CE1-CB 4.28Å; F73-P240 HydrophobicContact CE1-CG 4.25Å; F73-P240 HydrophobicContact CZ-CB 3.92Å; F73-P240 HydrophobicContact CZ-CG 3.96Å; R93-P240 CarbonylContact C-O 3.53Å; R93-P240 VanDerWaalsContact CA-O 3.25Å; R93-P240 WeakPolarHBondContact CA-O 3.31Å; R93-P240 WeakPolarHBondContact CB-O 3.07Å; C94-P240 PolarHBondContact N-O 3.2Å; H230-P240 HydrophobicContact CB-CG 3.87Å
241	S	93.8	Very high	79.2	Confident	10 Å²	10	67.9 Å²	67.9	7%	0.07	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-81.6	138.4	-176.6	-64.5	0	0	0	0	111.8	F73 F239	F73-S241 WeakPolarHBondContact CE1-OG 3.42Å; F239-S241 PolarHBondContact O-N 3.1Å
242	Y	91.4	Very high	79.1	Confident	37 Å²	37	68.9 Å²	68.9	15%	0.145	35%	0.353	C	S	.	.			trans	-64.9	139.4	175	-177.8	-101.7	0	0	0	111.6	P92 L183 F212 S213 A216 V217 H244	P92-Y242 WeakPolarHBondContact O-CB 3.06Å; P92-Y242 PolarHBondContact O-N 3Å; L183-Y242 HydrophobicContact CD1-CD1 4.38Å; L183-Y242 HydrophobicContact CD1-CD2 3.69Å; L183-Y242 HydrophobicContact CD1-CE2 4.49Å; L183-Y242 HydrophobicContact CD1-CG 3.62Å; F212-Y242 AromaticContact CD1-CD1 3.68Å; F212-Y242 HydrophobicContact CD1-CD1 3.68Å; F212-Y242 HydrophobicContact CD1-CD2 4.48Å; F212-Y242 AromaticContact CD1-CE1 3.61Å; F212-Y242 HydrophobicContact CD1-CE1 3.61Å; F212-Y242 HydrophobicContact CD1-CE2 4.42Å; F212-Y242 HydrophobicContact CD1-CG 4.13Å; F212-Y242 AromaticContact CE1-CD1 3.88Å; F212-Y242 HydrophobicContact CE1-CD1 3.88Å; F212-Y242 HydrophobicContact CE1-CE1 4.14Å; F212-Y242 HydrophobicContact CE1-CG 4.45Å; S213-Y242 WeakPolarHBondContact CB-OH 3.41Å; S213-Y242 PolarHBondContact N-OH 2.84Å; A216-Y242 HydrophobicContact CB-CE2 4.09Å; V217-Y242 HydrophobicContact CG2-CD2 3.8Å; V217-Y242 HydrophobicContact CG2-CE2 3.74Å; Y242-H244 AromaticContact CD1-CD2 3.9Å; Y242-H244 AromaticContact CD1-NE2 3.89Å; Y242-H244 AromaticContact CE1-CD2 3.67Å; Y242-H244 AromaticContact CE1-CE1 3.61Å; Y242-H244 AromaticContact CE1-CG 3.74Å; Y242-H244 AromaticContact CE1-ND1 3.7Å; Y242-H244 AromaticContact CE1-NE2 3.58Å
243	R	83.3	Confident	79.2	Confident	84 Å²	84	62.2 Å²	62.2	32%	0.317	33%	0.33	S	S	.	.			trans	-120.3	115.7	-179	-65.3	171.1	68.4	-157.4	7.6	109.5	P234 S235 Q245	P234-R243 WeakPolarHBondContact O-CD 3.2Å; P234-R243 PolarHBondContact O-NE 3.23Å; P234-R243 PolarHBondContact O-NH1 3.32Å; S235-R243 VanDerWaalsContact C-NH1 3.26Å; S235-R243 PolarHBondContact O-NH1 3.49Å; R243-Q245 VanDerWaalsContact C-N 3.28Å; R243-Q245 HydrophobicContact CB-CG 4.4Å; R243-Q245 PolarHBondContact O-N 3.28Å
244	H	71.6	Confident	79.3	Confident	128 Å²	128	65 Å²	65	59%	0.593	35%	0.349	S	S	*	.			trans	-71.8	83.8	167.4	-73.4	-87	0	0	0	109.5	G211 Y242	G211-H244 PolarHBondContact O-CE1 2.81Å; G211-H244 VanDerWaalsContact O-CE1 3.25Å; Y242-H244 AromaticContact CD1-CD2 3.9Å; Y242-H244 AromaticContact CD1-NE2 3.89Å; Y242-H244 AromaticContact CE1-CD2 3.67Å; Y242-H244 AromaticContact CE1-CE1 3.61Å; Y242-H244 AromaticContact CE1-CG 3.74Å; Y242-H244 AromaticContact CE1-ND1 3.7Å; Y242-H244 AromaticContact CE1-NE2 3.58Å
245	Q	61.3	Low	79.3	Confident	82 Å²	82	65 Å²	65	38%	0.383	35%	0.345	S	S	.	.			trans	-88.8	143	170.7	-74.3	-171.2	-13.6	0	0	111	R243	R243-Q245 VanDerWaalsContact C-N 3.28Å; R243-Q245 HydrophobicContact CB-CG 4.4Å; R243-Q245 PolarHBondContact O-N 3.28Å
246	S	51.8	Low	79.5	Confident	99 Å²	99	62.3 Å²	62.3	69%	0.692	33%	0.326	S	S	*	.			trans	-69.2	143.8	170.8	78.4	0	0	0	0	109.8	K248	S246-K248 PolarHBondContact O-N 3.09Å
247	S	47.2	Very low	79.5	Confident	125 Å²	125	64.2 Å²	64.2	87%	0.874	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	15.7	-165.8	50.2	0	0	0	0	117.6
248	K	47.7	Very low	79.3	Confident	183 Å²	183	68.3 Å²	68.3	80%	0.796	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-13	-171.7	-77.1	-169	176.2	-178.2	0	117.1	S246	S246-K248 PolarHBondContact O-N 3.09Å
249	Q	56.6	Low	79.1	Confident	155 Å²	155	69.1 Å²	69.1	72%	0.724	37%	0.369	S	S	*	.			trans	-175.1	82.7	162.3	-111.6	162.1	-9.5	0	0	111.8	T251	Q249-T251 HydrophobicContact CB-CG2 4Å; Q249-T251 HydrophobicContact CG-CG2 3.78Å; Q249-T251 PolarHBondContact O-N 3.25Å
250	Y	73.6	Confident	79.1	Confident	54 Å²	54	68.1 Å²	68.1	21%	0.212	36%	0.364	C	S	.	.			trans	-74.8	104.3	162.6	-161.9	-96.8	0	0	0	107	M142 F215 A216 A219 V237	M142-Y250 HydrophobicContact CE-CD1 3.78Å; M142-Y250 HydrophobicContact CE-CE1 4.16Å; M142-Y250 HydrophobicContact SD-CD1 4.04Å; F215-Y250 HydrophobicContact CD1-CD1 4.45Å; F215-Y250 AromaticContact CE1-CD1 3.68Å; F215-Y250 HydrophobicContact CE1-CD1 3.68Å; F215-Y250 AromaticContact CE1-CG 3.95Å; F215-Y250 HydrophobicContact CE1-CG 3.95Å; F215-Y250 HydrophobicContact CZ-CD1 4.03Å; A216-Y250 HydrophobicContact CB-CD2 4.33Å; A216-Y250 HydrophobicContact CB-CE1 4.21Å; A216-Y250 HydrophobicContact CB-CE2 3.76Å; A216-Y250 PolarHBondContact O-OH 2.74Å; A219-Y250 HydrophobicContact CB-CE1 3.93Å; V237-Y250 HydrophobicContact CG1-CE1 4.11Å; V237-Y250 HydrophobicContact CG2-CD1 4.36Å; V237-Y250 HydrophobicContact CG2-CE1 3.68Å
251	T	84.4	Confident	79	Confident	85 Å²	85	69.8 Å²	69.8	52%	0.521	37%	0.372	S	S	.	.			trans	-129.6	150.5	-172.3	49.8	0	0	0	0	109.7	Q249 S253	Q249-T251 HydrophobicContact CB-CG2 4Å; Q249-T251 HydrophobicContact CG-CG2 3.78Å; Q249-T251 PolarHBondContact O-N 3.25Å; T251-S253 PolarHBondContact O-N 3.46Å
252	L	88.8	Confident	78.8	Confident	30 Å²	30	77 Å²	77	16%	0.157	41%	0.406	C	S	.	.			trans	-64.2	131.8	174.8	-65	178	0	0	0	109.5	M142 W143 A146 V237 D256 V257	M142-L252 HydrophobicContact CB-CD1 4.38Å; M142-L252 HydrophobicContact CB-CG 4.35Å; M142-L252 HydrophobicContact CE-CD2 3.76Å; M142-L252 HydrophobicContact CE-CG 3.9Å; M142-L252 VanDerWaalsContact O-CD1 3.26Å; M142-L252 WeakPolarHBondContact O-CD1 3.48Å; W143-L252 HydrophobicContact CD2-CD2 4.38Å; W143-L252 HydrophobicContact CE3-CD1 3.89Å; W143-L252 HydrophobicContact CE3-CD2 4.07Å; W143-L252 HydrophobicContact CH2-CD2 3.62Å; W143-L252 HydrophobicContact CZ2-CD2 3.95Å; W143-L252 HydrophobicContact CZ3-CD1 4.03Å; W143-L252 HydrophobicContact CZ3-CD2 3.67Å; A146-L252 HydrophobicContact CB-CD1 3.49Å; A146-L252 VanDerWaalsContact CB-CD1 3.49Å; V237-L252 HydrophobicContact CB-CD2 4.24Å; V237-L252 HydrophobicContact CG2-CD2 3.99Å; L252-D256 HydrophobicContact CB-CB 4.05Å; L252-D256 HydrophobicContact CD2-CB 3.96Å; L252-V257 HydrophobicContact CB-CG2 3.78Å; L252-V257 HydrophobicContact CD1-CG2 4.43Å
253	S	89.1	Confident	78.7	Confident	15 Å²	15	76.4 Å²	76.4	11%	0.105	41%	0.406	C	S	.	.			trans	-71.1	170.8	173.3	82.5	0	0	0	0	110.5	A236 T251 D255 D256 V257	A236-S253 WeakPolarHBondContact CA-OG 3.37Å; A236-S253 WeakPolarHBondContact CB-OG 3.49Å; T251-S253 PolarHBondContact O-N 3.46Å; S253-D255 PolarHBondContact O-N 3.03Å; S253-D255 PolarHBondContact OG-N 3.41Å; S253-D256 PolarHBondContact N-OD2 3.46Å; S253-D256 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact OG-N 3.18Å; S253-D256 PolarHBondContact OG-OD2 3.02Å; S253-D256 VanDerWaalsContact OG-OD2 3.13Å; S253-V257 VanDerWaalsContact O-CG2 3.3Å; S253-V257 WeakPolarHBondContact O-CG2 3.49Å; S253-V257 PolarHBondContact O-N 2.52Å
254	T	88.9	Confident	79	Confident	112 Å²	112	73.2 Å²	73.2	69%	0.687	39%	0.393	S	S	*	.	H	α-helix	trans	-60.6	-35.4	173.9	-56.1	0	0	0	0	111.1	V257 L258	T254-V257 PolarHBondContact O-N 3.18Å; T254-L258 HydrophobicContact CG2-CD1 3.96Å; T254-L258 HydrophobicContact CG2-CG 4.3Å; T254-L258 WeakPolarHBondContact O-CB 3.32Å; T254-L258 VanDerWaalsContact O-CG 3.25Å; T254-L258 WeakPolarHBondContact O-CG 3.14Å; T254-L258 PolarHBondContact O-N 2.87Å
255	D	85.4	Confident	79.9	Confident	73 Å²	73	68.5 Å²	68.5	39%	0.39	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-46.4	178.1	-171.2	71.2	0	0	0	111.5	S231 D233 S253 V257 L258 G259	S231-D255 WeakPolarHBondContact CB-OD2 3.3Å; S231-D255 PolarHBondContact OG-OD2 2.76Å; D233-D255 HydrophobicContact CB-CB 4.33Å; S253-D255 PolarHBondContact O-N 3.03Å; S253-D255 PolarHBondContact OG-N 3.41Å; D255-V257 PolarHBondContact O-N 3.33Å; D255-L258 PolarHBondContact O-N 2.94Å; D255-G259 PolarHBondContact O-N 3.36Å
256	D	89.8	Confident	81.1	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.011	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-45.7	176.4	-59.2	-54	0	0	0	111.5	W143 A236 V237 M238 L252 S253 G259 I260	W143-D256 HydrophobicContact CH2-CB 4.13Å; W143-D256 HydrophobicContact CZ3-CB 4.21Å; A236-D256 WeakPolarHBondContact CA-OD2 3.33Å; V237-D256 PolarHBondContact N-OD1 3.4Å; V237-D256 PolarHBondContact N-OD2 3.09Å; M238-D256 WeakPolarHBondContact CG-OD1 3.42Å; M238-D256 PolarHBondContact N-OD1 3.16Å; L252-D256 HydrophobicContact CB-CB 4.05Å; L252-D256 HydrophobicContact CD2-CB 3.96Å; S253-D256 PolarHBondContact N-OD2 3.46Å; S253-D256 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact OG-N 3.18Å; S253-D256 PolarHBondContact OG-OD2 3.02Å; S253-D256 VanDerWaalsContact OG-OD2 3.13Å; D256-G259 PolarHBondContact O-N 2.92Å; D256-I260 WeakPolarHBondContact O-CG2 3.4Å; D256-I260 PolarHBondContact O-N 3.36Å
257	V	91.6	Very high	82.3	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-63.4	-44.4	-180	172.9	0	0	0	0	110.9	A146 L252 S253 T254 D255 I260 Q261	A146-V257 HydrophobicContact CB-CG2 4.31Å; L252-V257 HydrophobicContact CB-CG2 3.78Å; L252-V257 HydrophobicContact CD1-CG2 4.43Å; S253-V257 VanDerWaalsContact O-CG2 3.3Å; S253-V257 WeakPolarHBondContact O-CG2 3.49Å; S253-V257 PolarHBondContact O-N 2.52Å; T254-V257 PolarHBondContact O-N 3.18Å; D255-V257 PolarHBondContact O-N 3.33Å; V257-I260 WeakPolarHBondContact O-CG2 3.27Å; V257-Q261 HydrophobicContact CG1-CG 4.4Å; V257-Q261 VanDerWaalsContact CG1-NE2 3.31Å; V257-Q261 VanDerWaalsContact O-CB 3.24Å; V257-Q261 WeakPolarHBondContact O-CB 3.49Å; V257-Q261 WeakPolarHBondContact O-CG 3.41Å; V257-Q261 PolarHBondContact O-N 2.82Å; V257-Q261 VanDerWaalsContact O-N 3.1Å
258	L	88.3	Confident	83.1	Confident	92 Å²	92	68.3 Å²	68.3	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.2	-72.1	174.5	0	0	0	111.1	T254 D255 I260 Q261 M262	T254-L258 HydrophobicContact CG2-CD1 3.96Å; T254-L258 HydrophobicContact CG2-CG 4.3Å; T254-L258 WeakPolarHBondContact O-CB 3.32Å; T254-L258 VanDerWaalsContact O-CG 3.25Å; T254-L258 WeakPolarHBondContact O-CG 3.14Å; T254-L258 PolarHBondContact O-N 2.87Å; D255-L258 PolarHBondContact O-N 2.94Å; L258-I260 PolarHBondContact O-N 2.96Å; L258-Q261 PolarHBondContact O-N 2.8Å; L258-M262 VanDerWaalsContact O-CG 3.28Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3Å
259	G	89.3	Confident	83.3	Confident	22 Å²	22	66.5 Å²	66.5	23%	0.227	35%	0.352	C	S	.	.	H	α-helix	trans	-57.2	-51.5	178.6	0	0	0	0	0	112.4	L228 D255 D256 Q261 M262 L263	L228-G259 VanDerWaalsContact CD2-C 3.44Å; D255-G259 PolarHBondContact O-N 3.36Å; D256-G259 PolarHBondContact O-N 2.92Å; G259-Q261 VanDerWaalsContact C-N 3.33Å; G259-Q261 PolarHBondContact O-N 3.37Å; G259-M262 PolarHBondContact O-N 3.16Å; G259-L263 PolarHBondContact O-N 2.74Å
260	I	93.1	Very high	82.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-35.2	-178.7	-162.6	68.3	0	0	0	112	W143 A146 A147 L149 L226 L228 D256 V257 L258 L263 Y264	W143-I260 HydrophobicContact CE3-CB 4.02Å; W143-I260 HydrophobicContact CE3-CD1 4.23Å; W143-I260 HydrophobicContact CE3-CG1 3.95Å; W143-I260 HydrophobicContact CE3-CG2 4.19Å; W143-I260 HydrophobicContact CZ3-CB 4.03Å; W143-I260 HydrophobicContact CZ3-CG1 4.42Å; W143-I260 HydrophobicContact CZ3-CG2 4.27Å; A146-I260 HydrophobicContact CB-CG2 4.01Å; A147-I260 HydrophobicContact CB-CG1 3.74Å; A147-I260 HydrophobicContact CB-CG2 4.2Å; L149-I260 HydrophobicContact CD1-CD1 4.38Å; L226-I260 HydrophobicContact CB-CD1 3.85Å; L226-I260 HydrophobicContact CD1-CD1 3.96Å; L228-I260 HydrophobicContact CD1-CB 4.28Å; L228-I260 HydrophobicContact CD1-CD1 4.14Å; L228-I260 HydrophobicContact CD2-CB 4.48Å; L228-I260 HydrophobicContact CD2-CD1 4.42Å; L228-I260 HydrophobicContact CG-CD1 4.22Å; D256-I260 WeakPolarHBondContact O-CG2 3.4Å; D256-I260 PolarHBondContact O-N 3.36Å; V257-I260 WeakPolarHBondContact O-CG2 3.27Å; L258-I260 PolarHBondContact O-N 2.96Å; I260-L263 PolarHBondContact O-N 3.44Å; I260-Y264 HydrophobicContact CD1-CD2 3.59Å; I260-Y264 HydrophobicContact CD1-CE2 3.67Å; I260-Y264 HydrophobicContact CG1-CD2 4Å; I260-Y264 PolarHBondContact O-N 3.27Å
261	Q	92.3	Very high	81.1	Confident	36 Å²	36	65.9 Å²	65.9	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-72.4	-27.4	177.8	-70.5	176.9	1.7	0	0	113	A146 V257 L258 G259 L263 G265 K266	A146-Q261 WeakPolarHBondContact O-CG 3.15Å; A146-Q261 PolarHBondContact O-NE2 3.39Å; V257-Q261 HydrophobicContact CG1-CG 4.4Å; V257-Q261 VanDerWaalsContact CG1-NE2 3.31Å; V257-Q261 VanDerWaalsContact O-CB 3.24Å; V257-Q261 WeakPolarHBondContact O-CB 3.49Å; V257-Q261 WeakPolarHBondContact O-CG 3.41Å; V257-Q261 PolarHBondContact O-N 2.82Å; V257-Q261 VanDerWaalsContact O-N 3.1Å; L258-Q261 PolarHBondContact O-N 2.8Å; G259-Q261 VanDerWaalsContact C-N 3.33Å; G259-Q261 PolarHBondContact O-N 3.37Å; Q261-L263 VanDerWaalsContact C-N 3.26Å; Q261-L263 PolarHBondContact O-N 2.98Å; Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 2.71Å; Q261-K266 HydrophobicContact CB-CG 4.44Å; Q261-K266 HydrophobicContact CG-CG 4.13Å; Q261-K266 VanDerWaalsContact OE1-CG 3.31Å
262	M	89.4	Confident	78.8	Confident	163 Å²	163	71 Å²	71	80%	0.803	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-32.5	171.1	-77	178.1	65.2	0	0	111.8	L258 G259	L258-M262 VanDerWaalsContact O-CG 3.28Å; L258-M262 WeakPolarHBondContact O-CG 3.42Å; L258-M262 PolarHBondContact O-N 3Å; G259-M262 PolarHBondContact O-N 3.16Å
263	L	88.8	Confident	76.3	Confident	24 Å²	24	75.4 Å²	75.4	13%	0.126	40%	0.4	C	S	.	.	H	α-helix	trans	-81.1	-46.6	178.6	-64.1	177.3	0	0	0	112.5	H108 K110 L228 G259 I260 Q261	H108-L263 HydrophobicContact CB-CD2 4.24Å; K110-L263 HydrophobicContact CB-CD2 4.49Å; K110-L263 WeakPolarHBondContact CD-O 3.32Å; K110-L263 PolarHBondContact NZ-O 3.17Å; L228-L263 HydrophobicContact CD2-CD1 3.81Å; L228-L263 HydrophobicContact CG-CD1 4.47Å; G259-L263 PolarHBondContact O-N 2.74Å; I260-L263 PolarHBondContact O-N 3.44Å; Q261-L263 VanDerWaalsContact C-N 3.26Å; Q261-L263 PolarHBondContact O-N 2.98Å
264	Y	90.4	Very high	73.7	Confident	16 Å²	16	81 Å²	81	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-116.7	-9.1	-166.7	-61.1	-71.7	0	0	0	115.1	K110 W111 P148 L149 L226 I260	K110-Y264 HydrophobicContact CB-CE1 4.18Å; W111-Y264 HydrophobicContact CB-CE1 4.24Å; W111-Y264 PolarHBondContact N-OH 2.82Å; W111-Y264 VanDerWaalsContact N-OH 3.09Å; P148-Y264 VanDerWaalsContact CG-O 3.26Å; P148-Y264 WeakPolarHBondContact CG-O 3.43Å; L149-Y264 HydrophobicContact CD1-CD2 3.92Å; L149-Y264 HydrophobicContact CD1-CE2 4.19Å; L149-Y264 HydrophobicContact CD1-CG 4.19Å; L149-Y264 HydrophobicContact CD2-CD1 3.61Å; L149-Y264 HydrophobicContact CD2-CD2 4.3Å; L149-Y264 HydrophobicContact CD2-CE1 3.94Å; L149-Y264 HydrophobicContact CD2-CG 3.8Å; L149-Y264 HydrophobicContact CG-CD1 4.49Å; L149-Y264 HydrophobicContact CG-CD2 4.43Å; L149-Y264 HydrophobicContact CG-CG 4.19Å; L226-Y264 HydrophobicContact CB-CE2 4.21Å; L226-Y264 WeakPolarHBondContact O-CE2 3.36Å; L226-Y264 VanDerWaalsContact O-CZ 3.24Å; L226-Y264 PolarHBondContact O-OH 3.46Å; I260-Y264 HydrophobicContact CD1-CD2 3.59Å; I260-Y264 HydrophobicContact CD1-CE2 3.67Å; I260-Y264 HydrophobicContact CG1-CD2 4Å; I260-Y264 PolarHBondContact O-N 3.27Å
265	G	89.6	Confident	71.1	Confident	30 Å²	30	78.1 Å²	78.1	31%	0.309	40%	0.402	S	S	.	.			trans	86.2	173.8	-173.1	0	0	0	0	0	112.8	P148 Q261	P148-G265 WeakPolarHBondContact CD-O 3.43Å; Q261-G265 WeakPolarHBondContact O-CA 3.46Å; Q261-G265 PolarHBondContact O-N 2.71Å
266	K	87.8	Confident	69	Low	150 Å²	150	84 Å²	84	65%	0.652	42%	0.419	S	S	*	.			trans	-70.7	145.3	174.4	-72.1	178.7	178.3	-174.6	0	110.4	Q261 E268	Q261-K266 HydrophobicContact CB-CG 4.44Å; Q261-K266 HydrophobicContact CG-CG 4.13Å; Q261-K266 VanDerWaalsContact OE1-CG 3.31Å; K266-E268 PolarHBondContact O-N 2.79Å; K266-E268 VanDerWaalsContact O-N 3.14Å
267	P	75.9	Confident	66.8	Low	32 Å²	32	88 Å²	88	21%	0.208	44%	0.443	C	S	.	.			trans	-58	124.7	168.8	-1.3	13.2	0	0	0	106.6	D145 A146 I269	D145-P267 WeakPolarHBondContact O-CG 3.37Å; A146-P267 WeakPolarHBondContact O-CD 3.26Å; A146-P267 WeakPolarHBondContact O-CG 3.36Å; P267-I269 PolarHBondContact O-N 2.82Å
268	E	64.6	Low	64.9	Low	119 Å²	119	87.5 Å²	87.5	56%	0.556	44%	0.441	S	S	*	.			trans	-67.4	95.5	163	-71.2	-176.4	172.3	0	0	105.8	K266 E270 A271	K266-E268 PolarHBondContact O-N 2.79Å; K266-E268 VanDerWaalsContact O-N 3.14Å; E268-E270 PolarHBondContact O-N 3.3Å; E268-A271 HydrophobicContact CB-CB 3.99Å; E268-A271 VanDerWaalsContact OE2-CB 3.22Å; E268-A271 WeakPolarHBondContact OE2-CB 3.3Å
269	I	52.6	Low	63.8	Low	145 Å²	145	91.2 Å²	91.2	74%	0.744	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	108.9	171.3	-57.5	176.8	0	0	0	106.2	P267 R274	P267-I269 PolarHBondContact O-N 2.82Å; I269-R274 PolarHBondContact O-NH2 3.25Å; I269-R274 VanDerWaalsContact O-NH2 3.07Å
270	E	42.1	Very low	63	Low	154 Å²	154	93.8 Å²	93.8	72%	0.72	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	26.6	84.5	-175.5	-65.6	-177.1	169.3	0	0	115.2	E268 E272	E268-E270 PolarHBondContact O-N 3.3Å; E270-E272 VanDerWaalsContact C-N 3.3Å
271	A	40.2	Very low	62.3	Low	43 Å²	43	97.2 Å²	97.2	36%	0.355	48%	0.481	S	S	.	.			trans	-82.1	0.7	164	0	0	0	0	0	114.1	E268	E268-A271 HydrophobicContact CB-CB 3.99Å; E268-A271 VanDerWaalsContact OE2-CB 3.22Å; E268-A271 WeakPolarHBondContact OE2-CB 3.3Å
272	E	37.8	Very low	61.8	Low	192 Å²	192	97.1 Å²	97.1	90%	0.897	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.3	176.5	-75.2	-169.7	160.7	0	0	114.6	E270	E270-E272 VanDerWaalsContact C-N 3.3Å
273	N	34.9	Very low	61.2	Low	122 Å²	122	94.1 Å²	94.1	65%	0.652	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	31.2	167.6	-100.1	-36.4	0	0	0	112.2	P275 K305	N273-P275 WeakPolarHBondContact O-CD 3.26Å; N273-K305 WeakPolarHBondContact O-CE 3.34Å; N273-K305 PolarHBondContact O-NZ 3.41Å
274	R	35.3	Very low	60.7	Low	134 Å²	134	99 Å²	99	51%	0.506	50%	0.498	S	S	.	.			trans	-81.8	118.4	166.8	-70.1	179.7	-169.6	-172.7	2.7	108.3	I269 R276	I269-R274 PolarHBondContact O-NH2 3.25Å; I269-R274 VanDerWaalsContact O-NH2 3.07Å; R274-R276 PolarHBondContact O-N 2.86Å; R274-R276 VanDerWaalsContact O-N 3.16Å
275	P	34.3	Very low	60.3	Low	51 Å²	51	98.3 Å²	98.3	33%	0.331	50%	0.496	S	S	.	.			trans	-53.3	126.8	151.6	-10.3	24.7	0	0	0	105.1	N273 V277 D304	N273-P275 WeakPolarHBondContact O-CD 3.26Å; P275-V277 PolarHBondContact O-N 2.82Å; P275-D304 HydrophobicContact CG-CB 4.49Å
276	R	41.2	Very low	60.2	Low	197 Å²	197	100.9 Å²	100.9	74%	0.743	50%	0.502	S	S	*	.			trans	-43.9	108.3	175.5	-66.1	175.3	-178.6	178.3	1	106.7	R274 P278	R274-R276 PolarHBondContact O-N 2.86Å; R274-R276 VanDerWaalsContact O-N 3.16Å; R276-P278 WeakPolarHBondContact O-CD 3.31Å
277	V	43.3	Very low	60.3	Low	86 Å²	86	94.1 Å²	94.1	52%	0.521	47%	0.472	S	S	.	.			trans	-57.2	113.5	160.6	176.8	0	0	0	0	102.4	P275 K279	P275-V277 PolarHBondContact O-N 2.82Å; V277-K279 PolarHBondContact O-N 2.87Å
278	P	51	Low	61.1	Low	29 Å²	29	94.8 Å²	94.8	19%	0.188	47%	0.474	C	S	.	.			trans	-57	114.5	-173.9	-27.8	39.6	0	0	0	105.8	R276 K280 F285	R276-P278 WeakPolarHBondContact O-CD 3.31Å; P278-K280 PolarHBondContact O-N 2.93Å; P278-F285 HydrophobicContact CB-CB 4.37Å; P278-F285 HydrophobicContact CB-CD2 3.37Å; P278-F285 HydrophobicContact CB-CE2 3.82Å; P278-F285 HydrophobicContact CB-CG 4.08Å; P278-F285 WeakPolarHBondContact O-CE2 3.36Å
279	K	66.6	Low	62.6	Low	170 Å²	170	89.1 Å²	89.1	74%	0.739	45%	0.448	S	S	*	.			trans	-51.8	134.8	175.8	-75.2	178.9	177.2	178.2	0	104.8	V277 C281 D282	V277-K279 PolarHBondContact O-N 2.87Å; K279-C281 CarbonylContact O-C 3.57Å; K279-C281 PolarHBondContact O-N 2.96Å; K279-D282 HydrophobicContact CB-CB 4.37Å; K279-D282 WeakPolarHBondContact O-CA 3.26Å; K279-D282 WeakPolarHBondContact O-CB 3.18Å; K279-D282 PolarHBondContact O-N 2.89Å
280	K	71.9	Confident	64.6	Low	76 Å²	76	82.2 Å²	82.2	33%	0.33	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.8	-34.7	-177.3	177.8	-173.6	164.3	-179.9	0	114.4	P278 W310 L322 L473 C475	P278-K280 PolarHBondContact O-N 2.93Å; K280-W310 HydrophobicContact CB-CH2 3.85Å; K280-W310 HydrophobicContact CB-CZ2 4.32Å; K280-W310 HydrophobicContact CB-CZ3 4.47Å; K280-W310 HydrophobicContact CD-CH2 3.95Å; K280-W310 HydrophobicContact CD-CZ3 3.78Å; K280-W310 HydrophobicContact CG-CH2 3.85Å; K280-W310 HydrophobicContact CG-CZ2 4.48Å; K280-W310 HydrophobicContact CG-CZ3 3.98Å; K280-L322 HydrophobicContact CD-CD2 4.03Å; K280-L473 WeakPolarHBondContact CE-O 3.48Å; K280-L473 HydrophobicContact CG-CB 3.89Å; K280-L473 HydrophobicContact CG-CD1 4.05Å; K280-L473 PolarHBondContact NZ-O 3.05Å; K280-C475 PolarHBondContact O-SG 3.35Å
281	C	79.3	Confident	67.1	Low	73 Å²	73	74.9 Å²	74.9	49%	0.493	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	25.8	176.8	-56.3	0	0	0	0	115	K279 C475	K279-C281 CarbonylContact O-C 3.57Å; K279-C281 PolarHBondContact O-N 2.96Å; C281-C475 WeakPolarHBondContact CA-SG 3.15Å; C281-C475 HydrophobicContact CB-CB 3.7Å; C281-C475 WeakPolarHBondContact CB-SG 3.42Å; C281-C475 WeakPolarHBondContact SG-CB 3.39Å; C281-C475 CovalentContact SG-SG 2.04Å; C281-C475 PolarHBondContact SG-SG 3.37Å
282	D	80.1	Confident	69.6	Low	33 Å²	33	73.6 Å²	73.6	18%	0.176	37%	0.366	C	S	.	.			trans	-66.3	127.2	170.4	-168.1	-41.5	0	0	0	108.3	K279 M284 F285 N470	K279-D282 HydrophobicContact CB-CB 4.37Å; K279-D282 WeakPolarHBondContact O-CA 3.26Å; K279-D282 WeakPolarHBondContact O-CB 3.18Å; K279-D282 PolarHBondContact O-N 2.89Å; D282-M284 PolarHBondContact O-N 3.28Å; D282-M284 VanDerWaalsContact O-N 3.11Å; D282-M284 PolarHBondContact OD1-N 2.76Å; D282-F285 HydrophobicContact CB-CB 4.46Å; D282-F285 VanDerWaalsContact O-CB 3.26Å; D282-F285 WeakPolarHBondContact O-CB 3.3Å; D282-F285 PolarHBondContact O-N 3.31Å; D282-N470 PolarHBondContact O-ND2 3.08Å
283	P	76.8	Confident	72.1	Confident	101 Å²	101	64.7 Å²	64.7	66%	0.656	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	176.5	-24.4	34.2	0	0	0	114.1	S451	P283-S451 WeakPolarHBondContact O-CB 3.44Å; P283-S451 PolarHBondContact O-OG 2.93Å
284	M	78.6	Confident	74.5	Confident	126 Å²	126	64.8 Å²	64.8	62%	0.621	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	15.3	177.5	-54.8	-165.2	-46.8	0	0	113.2	D282 L286	D282-M284 PolarHBondContact O-N 3.28Å; D282-M284 VanDerWaalsContact O-N 3.11Å; D282-M284 PolarHBondContact OD1-N 2.76Å; M284-L286 PolarHBondContact O-N 3.36Å
285	F	82.7	Confident	76.8	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	32%	0.32	C	S	.	.			trans	-60.1	130.1	177.3	-167.8	-74.3	0	0	0	111.2	P278 D282 F287 Q301 W310 N470 L473	P278-F285 HydrophobicContact CB-CB 4.37Å; P278-F285 HydrophobicContact CB-CD2 3.37Å; P278-F285 HydrophobicContact CB-CE2 3.82Å; P278-F285 HydrophobicContact CB-CG 4.08Å; P278-F285 WeakPolarHBondContact O-CE2 3.36Å; D282-F285 HydrophobicContact CB-CB 4.46Å; D282-F285 VanDerWaalsContact O-CB 3.26Å; D282-F285 WeakPolarHBondContact O-CB 3.3Å; D282-F285 PolarHBondContact O-N 3.31Å; F285-F287 HydrophobicContact CD1-CD1 4.33Å; F285-F287 HydrophobicContact CD1-CD2 4.3Å; F285-F287 HydrophobicContact CD1-CE1 4.02Å; F285-F287 AromaticContact CD1-CE2 3.98Å; F285-F287 HydrophobicContact CD1-CE2 3.98Å; F285-F287 AromaticContact CD1-CZ 3.85Å; F285-F287 HydrophobicContact CD1-CZ 3.85Å; F285-F287 AromaticContact CE1-CD1 3.58Å; F285-F287 HydrophobicContact CE1-CD1 3.58Å; F285-F287 HydrophobicContact CE1-CD2 4.33Å; F285-F287 AromaticContact CE1-CE1 3.29Å; F285-F287 HydrophobicContact CE1-CE1 3.29Å; F285-F287 HydrophobicContact CE1-CE2 4.09Å; F285-F287 HydrophobicContact CE1-CG 4.14Å; F285-F287 AromaticContact CE1-CZ 3.59Å; F285-F287 HydrophobicContact CE1-CZ 3.59Å; F285-F287 HydrophobicContact CZ-CE1 4.12Å; F285-Q301 VanDerWaalsContact CE2-NE2 3.35Å; F285-W310 AromaticContact CZ-NE1 3.69Å; F285-N470 HydrophobicContact CB-CB 4.13Å; F285-L473 HydrophobicContact CD1-CD1 4.29Å; F285-L473 HydrophobicContact CD2-CD1 4.46Å; F285-L473 HydrophobicContact CE1-CD1 3.92Å; F285-L473 HydrophobicContact CE2-CD1 4.09Å; F285-L473 HydrophobicContact CZ-CD1 3.79Å
286	L	87.6	Confident	79.3	Confident	84 Å²	84	61.8 Å²	61.8	44%	0.44	31%	0.311	S	S	.	.			trans	-118.4	147.9	179.1	-56.9	178.2	0	0	0	110.6	M284 Q301 G450	M284-L286 PolarHBondContact O-N 3.36Å; L286-Q301 PolarHBondContact O-NE2 3.36Å; L286-Q301 VanDerWaalsContact O-NE2 3.12Å; L286-G450 VanDerWaalsContact CD2-CA 3.47Å; L286-G450 VanDerWaalsContact CD2-O 3.29Å; L286-G450 WeakPolarHBondContact CD2-O 3.48Å
287	F	90.6	Very high	81.7	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.035	28%	0.276	C	S	.	.			trans	-111.9	139.9	171.2	-61	-78.6	0	0	0	109.5	F285 F299 A437 L448 G469 L473	F285-F287 HydrophobicContact CD1-CD1 4.33Å; F285-F287 HydrophobicContact CD1-CD2 4.3Å; F285-F287 HydrophobicContact CD1-CE1 4.02Å; F285-F287 AromaticContact CD1-CE2 3.98Å; F285-F287 HydrophobicContact CD1-CE2 3.98Å; F285-F287 AromaticContact CD1-CZ 3.85Å; F285-F287 HydrophobicContact CD1-CZ 3.85Å; F285-F287 AromaticContact CE1-CD1 3.58Å; F285-F287 HydrophobicContact CE1-CD1 3.58Å; F285-F287 HydrophobicContact CE1-CD2 4.33Å; F285-F287 AromaticContact CE1-CE1 3.29Å; F285-F287 HydrophobicContact CE1-CE1 3.29Å; F285-F287 HydrophobicContact CE1-CE2 4.09Å; F285-F287 HydrophobicContact CE1-CG 4.14Å; F285-F287 AromaticContact CE1-CZ 3.59Å; F285-F287 HydrophobicContact CE1-CZ 3.59Å; F285-F287 HydrophobicContact CZ-CE1 4.12Å; F287-F299 HydrophobicContact CD1-CB 3.44Å; F287-F299 VanDerWaalsContact CD1-CB 3.44Å; F287-F299 AromaticContact CD1-CD1 3.86Å; F287-F299 HydrophobicContact CD1-CD1 3.86Å; F287-F299 AromaticContact CD1-CG 3.96Å; F287-F299 HydrophobicContact CD1-CG 3.96Å; F287-F299 HydrophobicContact CD2-CD1 4.4Å; F287-F299 HydrophobicContact CE1-CB 3.43Å; F287-F299 VanDerWaalsContact CE1-CB 3.43Å; F287-F299 AromaticContact CE1-CD1 3.83Å; F287-F299 HydrophobicContact CE1-CD1 3.83Å; F287-F299 AromaticContact CE1-CG 3.69Å; F287-F299 HydrophobicContact CE1-CG 3.69Å; F287-F299 HydrophobicContact CE2-CD1 4.37Å; F287-F299 HydrophobicContact CG-CB 4.4Å; F287-F299 HydrophobicContact CG-CD1 4.11Å; F287-F299 HydrophobicContact CZ-CB 4.4Å; F287-F299 HydrophobicContact CZ-CD1 4.08Å; F287-F299 HydrophobicContact CZ-CG 4.22Å; F287-A437 HydrophobicContact CB-CB 4.44Å; F287-L448 HydrophobicContact CB-CD2 4.33Å; F287-L448 HydrophobicContact CD2-CD2 3.27Å; F287-L448 HydrophobicContact CE2-CD2 3.79Å; F287-L448 HydrophobicContact CG-CD2 4.08Å; F287-G469 WeakPolarHBondContact CE2-O 3.39Å; F287-L473 HydrophobicContact CE1-CD1 4.09Å; F287-L473 HydrophobicContact CE1-CD2 4Å; F287-L473 HydrophobicContact CE1-CG 4.27Å; F287-L473 HydrophobicContact CZ-CD1 3.84Å; F287-L473 HydrophobicContact CZ-CD2 3.91Å; F287-L473 HydrophobicContact CZ-CG 3.8Å
288	D	92.1	Very high	84.1	Confident	45 Å²	45	48.5 Å²	48.5	24%	0.241	25%	0.252	C	S	.	.	S	Bend	trans	-90.3	-29.4	177.3	-66.5	-101.7	0	0	0	112.4	F300 Q301 N302 D339 D436	D288-F300 PolarHBondContact N-O 3.37Å; D288-Q301 WeakPolarHBondContact OD2-CA 3.5Å; D288-N302 HydrophobicContact CB-CB 4.45Å; D288-N302 WeakPolarHBondContact CB-ND2 3.35Å; D288-N302 PolarHBondContact OD1-ND2 3.21Å; D288-N302 PolarHBondContact OD2-N 3.29Å; D288-D339 CarbonylContact O-C 3.6Å; D288-D436 CarbonylContact C-O 3.59Å
289	A	94.8	Very high	86	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.6	174.7	0	0	0	0	0	110.5	F300 V338 A341	A289-F300 HydrophobicContact CB-CB 3.99Å; A289-F300 HydrophobicContact CB-CD2 3.88Å; A289-F300 HydrophobicContact CB-CG 4.23Å; A289-F300 PolarHBondContact N-O 2.98Å; A289-F300 PolarHBondContact O-N 3.15Å; A289-V338 HydrophobicContact CB-CG1 3.95Å; A289-A341 HydrophobicContact CB-CB 3.93Å
290	A	95.8	Very high	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	143.5	172.8	0	0	0	0	0	109.5	V298 F299 A341 A437 F439	A290-V298 VanDerWaalsContact CA-O 3.29Å; A290-V298 WeakPolarHBondContact CA-O 3.49Å; A290-F299 HydrophobicContact CB-CD1 3.84Å; A290-F299 HydrophobicContact CB-CE1 4.12Å; A290-A341 CarbonylContact O-C 3.43Å; A290-A437 HydrophobicContact CB-CB 3.98Å; A290-F439 HydrophobicContact CB-CB 4.37Å; A290-F439 HydrophobicContact CB-CD1 3.72Å; A290-F439 HydrophobicContact CB-CE1 4.48Å; A290-F439 HydrophobicContact CB-CG 4.4Å
291	A	94.5	Very high	88	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.1	171	0	0	0	0	0	110.2	V298 A341	A291-V298 PolarHBondContact N-O 3.49Å; A291-V298 PolarHBondContact O-N 3.06Å; A291-A341 HydrophobicContact CB-CB 3.65Å
292	V	92.3	Very high	88	Confident	16 Å²	16	34 Å²	34	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109.5	171.7	-175.9	0	0	0	0	108.7	E296 T314 D343 F439	V292-E296 CarbonylContact C-O 3.59Å; V292-E296 WeakPolarHBondContact CA-O 3.4Å; V292-T314 HydrophobicContact CG1-CG2 4.14Å; V292-D343 PolarHBondContact N-OD1 3.33Å; V292-D343 WeakPolarHBondContact O-CB 3.44Å; V292-F439 HydrophobicContact CG2-CD2 4.07Å
293	I	90.5	Very high	87.3	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.7	176.9	-51.6	-173.9	0	0	0	107.5	N295 E296 V298 F300 A350 L365	I293-N295 PolarHBondContact O-N 3.08Å; I293-N295 VanDerWaalsContact O-N 3.09Å; I293-E296 PolarHBondContact N-O 3.41Å; I293-E296 PolarHBondContact O-N 2.81Å; I293-V298 HydrophobicContact CB-CG2 3.95Å; I293-V298 HydrophobicContact CD1-CB 4.34Å; I293-V298 HydrophobicContact CD1-CG2 4.02Å; I293-V298 HydrophobicContact CG1-CB 4.42Å; I293-V298 HydrophobicContact CG1-CG2 3.9Å; I293-F300 HydrophobicContact CD1-CZ 4.43Å; I293-A350 HydrophobicContact CD1-CB 4Å; I293-A350 HydrophobicContact CG1-CB 3.78Å; I293-L365 HydrophobicContact CD1-CD2 4.03Å; I293-L365 HydrophobicContact CG2-CG 4.37Å
294	Q	85.2	Confident	86.1	Confident	123 Å²	123	36.4 Å²	36.4	58%	0.575	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	-108.2	-170.9	-59.5	-176.3	-24.5	0	0	112.3	Q364	Q294-Q364 HydrophobicContact CG-CB 4.45Å
295	N	83.1	Confident	84.7	Confident	92 Å²	92	36.9 Å²	36.9	49%	0.492	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	19.9	-178.5	-71.1	-23.6	0	0	0	112.2	I293 T313 T314	I293-N295 PolarHBondContact O-N 3.08Å; I293-N295 VanDerWaalsContact O-N 3.09Å; N295-T313 WeakPolarHBondContact O-CA 3.47Å; N295-T314 PolarHBondContact O-N 2.89Å; N295-T314 PolarHBondContact O-OG1 3.23Å; N295-T314 VanDerWaalsContact O-OG1 3.1Å
296	E	87.6	Confident	83.5	Confident	31 Å²	31	38 Å²	38	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.8	-175.8	-65.6	-179	179.9	0	0	110.9	V292 I293 V298 R312 R323	V292-E296 CarbonylContact C-O 3.59Å; V292-E296 WeakPolarHBondContact CA-O 3.4Å; I293-E296 PolarHBondContact N-O 3.41Å; I293-E296 PolarHBondContact O-N 2.81Å; E296-V298 HydrophobicContact CB-CG2 4.34Å; E296-V298 PolarHBondContact O-N 2.88Å; E296-R312 CarbonylContact C-O 3.57Å; E296-R312 WeakPolarHBondContact CA-O 3.19Å; E296-R323 IonicContact OE1-CZ 2.63Å; E296-R323 IonicContact OE1-NE 2.99Å; E296-R323 IonicContact OE1-NH1 2.91Å; E296-R323 PolarHBondContact OE1-NH1 3.32Å; E296-R323 IonicContact OE1-NH2 3.99Å; E296-R323 PolarHBondContact OE1-NH2 3.17Å; E296-R323 IonicContact OE2-CZ 2.87Å; E296-R323 IonicContact OE2-NH2 3.3Å; E296-R323 PolarHBondContact OE2-NH2 3.38Å
297	I	91.3	Very high	82.8	Confident	3 Å²	3	37 Å²	37	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.4	165.1	-42.8	169.6	0	0	0	105.7	F299 M311 R312 T314 F439 L441 W472	I297-F299 HydrophobicContact CB-CE2 3.92Å; I297-F299 HydrophobicContact CB-CZ 4.29Å; I297-F299 HydrophobicContact CG2-CD2 4.19Å; I297-F299 HydrophobicContact CG2-CE1 4.12Å; I297-F299 HydrophobicContact CG2-CE2 3.44Å; I297-F299 VanDerWaalsContact CG2-CE2 3.44Å; I297-F299 HydrophobicContact CG2-CZ 3.39Å; I297-M311 WeakPolarHBondContact O-CA 3.45Å; I297-R312 PolarHBondContact N-O 3.29Å; I297-R312 PolarHBondContact O-N 2.8Å; I297-T314 HydrophobicContact CD1-CG2 4.5Å; I297-T314 HydrophobicContact CG1-CG2 3.77Å; I297-F439 HydrophobicContact CD1-CE2 4.14Å; I297-F439 HydrophobicContact CG2-CD1 4.45Å; I297-F439 HydrophobicContact CG2-CD2 4.02Å; I297-F439 HydrophobicContact CG2-CE1 4.27Å; I297-F439 HydrophobicContact CG2-CE2 3.83Å; I297-F439 HydrophobicContact CG2-CG 4.33Å; I297-F439 HydrophobicContact CG2-CZ 3.96Å; I297-L441 HydrophobicContact CD1-CD2 3.7Å; I297-W472 HydrophobicContact CD1-CE3 4.22Å; I297-W472 HydrophobicContact CD1-CZ3 4.03Å
298	V	93	Very high	82.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.2	179.8	-172.7	0	0	0	0	107.8	A290 A291 I293 E296 F300 L309 W310 M311 L365	A290-V298 VanDerWaalsContact CA-O 3.29Å; A290-V298 WeakPolarHBondContact CA-O 3.49Å; A291-V298 PolarHBondContact N-O 3.49Å; A291-V298 PolarHBondContact O-N 3.06Å; I293-V298 HydrophobicContact CB-CG2 3.95Å; I293-V298 HydrophobicContact CD1-CB 4.34Å; I293-V298 HydrophobicContact CD1-CG2 4.02Å; I293-V298 HydrophobicContact CG1-CB 4.42Å; I293-V298 HydrophobicContact CG1-CG2 3.9Å; E296-V298 HydrophobicContact CB-CG2 4.34Å; E296-V298 PolarHBondContact O-N 2.88Å; V298-F300 HydrophobicContact CB-CE2 4.15Å; V298-F300 HydrophobicContact CB-CZ 4.35Å; V298-F300 HydrophobicContact CG1-CD2 4.38Å; V298-F300 HydrophobicContact CG1-CE1 4.15Å; V298-F300 HydrophobicContact CG1-CE2 3.76Å; V298-F300 HydrophobicContact CG1-CZ 3.63Å; V298-L309 HydrophobicContact CG1-CB 4.2Å; V298-W310 CarbonylContact C-O 3.42Å; V298-W310 WeakPolarHBondContact CA-O 3.3Å; V298-M311 HydrophobicContact CG1-CG 4.5Å; V298-M311 HydrophobicContact CG2-CG 4.26Å; V298-L365 HydrophobicContact CG2-CD1 4.25Å
299	F	92.8	Very high	82.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.8	174	-59.3	-88.9	0	0	0	109.7	F287 A290 I297 L309 W310 F439 L448 W472 L473	F287-F299 HydrophobicContact CD1-CB 3.44Å; F287-F299 VanDerWaalsContact CD1-CB 3.44Å; F287-F299 AromaticContact CD1-CD1 3.86Å; F287-F299 HydrophobicContact CD1-CD1 3.86Å; F287-F299 AromaticContact CD1-CG 3.96Å; F287-F299 HydrophobicContact CD1-CG 3.96Å; F287-F299 HydrophobicContact CD2-CD1 4.4Å; F287-F299 HydrophobicContact CE1-CB 3.43Å; F287-F299 VanDerWaalsContact CE1-CB 3.43Å; F287-F299 AromaticContact CE1-CD1 3.83Å; F287-F299 HydrophobicContact CE1-CD1 3.83Å; F287-F299 AromaticContact CE1-CG 3.69Å; F287-F299 HydrophobicContact CE1-CG 3.69Å; F287-F299 HydrophobicContact CE2-CD1 4.37Å; F287-F299 HydrophobicContact CG-CB 4.4Å; F287-F299 HydrophobicContact CG-CD1 4.11Å; F287-F299 HydrophobicContact CZ-CB 4.4Å; F287-F299 HydrophobicContact CZ-CD1 4.08Å; F287-F299 HydrophobicContact CZ-CG 4.22Å; A290-F299 HydrophobicContact CB-CD1 3.84Å; A290-F299 HydrophobicContact CB-CE1 4.12Å; I297-F299 HydrophobicContact CB-CE2 3.92Å; I297-F299 HydrophobicContact CB-CZ 4.29Å; I297-F299 HydrophobicContact CG2-CD2 4.19Å; I297-F299 HydrophobicContact CG2-CE1 4.12Å; I297-F299 HydrophobicContact CG2-CE2 3.44Å; I297-F299 VanDerWaalsContact CG2-CE2 3.44Å; I297-F299 HydrophobicContact CG2-CZ 3.39Å; F299-L309 CarbonylContact O-C 3.57Å; F299-L309 VanDerWaalsContact O-CA 3.26Å; F299-L309 WeakPolarHBondContact O-CA 3.27Å; F299-W310 HydrophobicContact CB-CB 4.25Å; F299-W310 PolarHBondContact N-O 2.67Å; F299-W310 PolarHBondContact O-N 3.23Å; F299-F439 HydrophobicContact CE1-CD1 4.38Å; F299-F439 AromaticContact CE1-CE1 3.75Å; F299-F439 HydrophobicContact CE1-CE1 3.75Å; F299-F439 HydrophobicContact CE1-CZ 4.36Å; F299-F439 AromaticContact CZ-CE1 3.99Å; F299-F439 HydrophobicContact CZ-CE1 3.99Å; F299-F439 HydrophobicContact CZ-CZ 4.14Å; F299-L448 HydrophobicContact CE1-CD2 4.43Å; F299-W472 HydrophobicContact CE1-CB 4.06Å; F299-W472 HydrophobicContact CE1-CG 4.08Å; F299-W472 HydrophobicContact CE2-CB 3.87Å; F299-W472 HydrophobicContact CE2-CG 4.48Å; F299-W472 HydrophobicContact CZ-CB 3.46Å; F299-W472 VanDerWaalsContact CZ-CB 3.46Å; F299-W472 AromaticContact CZ-CD2 3.95Å; F299-W472 HydrophobicContact CZ-CD2 3.95Å; F299-W472 HydrophobicContact CZ-CE3 4.17Å; F299-W472 AromaticContact CZ-CG 3.63Å; F299-W472 HydrophobicContact CZ-CG 3.63Å; F299-L473 HydrophobicContact CD2-CD2 4.43Å
300	F	91.8	Very high	82	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137	179	-59.4	-93.7	0	0	0	109.6	D288 A289 I293 V298 I327 L331 V338 A341 L352	D288-F300 PolarHBondContact N-O 3.37Å; A289-F300 HydrophobicContact CB-CB 3.99Å; A289-F300 HydrophobicContact CB-CD2 3.88Å; A289-F300 HydrophobicContact CB-CG 4.23Å; A289-F300 PolarHBondContact N-O 2.98Å; A289-F300 PolarHBondContact O-N 3.15Å; I293-F300 HydrophobicContact CD1-CZ 4.43Å; V298-F300 HydrophobicContact CB-CE2 4.15Å; V298-F300 HydrophobicContact CB-CZ 4.35Å; V298-F300 HydrophobicContact CG1-CD2 4.38Å; V298-F300 HydrophobicContact CG1-CE1 4.15Å; V298-F300 HydrophobicContact CG1-CE2 3.76Å; V298-F300 HydrophobicContact CG1-CZ 3.63Å; F300-I327 HydrophobicContact CD1-CD1 4.03Å; F300-I327 HydrophobicContact CE1-CD1 4.21Å; F300-L331 HydrophobicContact CE1-CD1 3.73Å; F300-L331 HydrophobicContact CZ-CD1 4.24Å; F300-V338 HydrophobicContact CB-CB 4.37Å; F300-V338 HydrophobicContact CD1-CB 4.01Å; F300-V338 HydrophobicContact CD1-CG1 4.17Å; F300-V338 HydrophobicContact CD1-CG2 4.08Å; F300-V338 HydrophobicContact CD2-CG1 4.33Å; F300-V338 HydrophobicContact CE1-CG1 4.48Å; F300-V338 HydrophobicContact CE1-CG2 4.3Å; F300-V338 HydrophobicContact CG-CB 4.19Å; F300-V338 HydrophobicContact CG-CG1 4.08Å; F300-A341 HydrophobicContact CD2-CB 4.25Å; F300-A341 HydrophobicContact CE2-CB 3.93Å; F300-L352 HydrophobicContact CE1-CD1 4.48Å; F300-L352 HydrophobicContact CE2-CD2 4.01Å; F300-L352 HydrophobicContact CZ-CD1 4.21Å; F300-L352 HydrophobicContact CZ-CD2 3.75Å
301	Q	87.6	Confident	81.7	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.065	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.9	173.1	-175.5	175.5	48	0	0	109.3	F285 L286 D288 F308	F285-Q301 VanDerWaalsContact CE2-NE2 3.35Å; L286-Q301 PolarHBondContact O-NE2 3.36Å; L286-Q301 VanDerWaalsContact O-NE2 3.12Å; D288-Q301 WeakPolarHBondContact OD2-CA 3.5Å; Q301-F308 PolarHBondContact N-O 3.05Å; Q301-F308 PolarHBondContact O-N 3.45Å
302	N	80.4	Confident	81.3	Confident	29 Å²	29	41.5 Å²	41.5	16%	0.155	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.3	173.6	-54.1	-51.8	0	0	0	107.8	D288 P337 V338	D288-N302 HydrophobicContact CB-CB 4.45Å; D288-N302 WeakPolarHBondContact CB-ND2 3.35Å; D288-N302 PolarHBondContact OD1-ND2 3.21Å; D288-N302 PolarHBondContact OD2-N 3.29Å; N302-P337 HydrophobicContact CB-CB 4.14Å; N302-P337 WeakPolarHBondContact OD1-CA 3.44Å; N302-V338 PolarHBondContact ND2-O 2.91Å; N302-V338 PolarHBondContact OD1-N 3.3Å; N302-V338 VanDerWaalsContact OD1-N 3.13Å
303	S	65.3	Low	80.7	Confident	30 Å²	30	42.7 Å²	42.7	21%	0.21	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.4	166.3	-179.9	0	0	0	0	108.5	K305 S306	S303-K305 PolarHBondContact O-N 3.2Å; S303-S306 WeakPolarHBondContact CB-O 3.34Å; S303-S306 PolarHBondContact N-O 3.44Å; S303-S306 PolarHBondContact O-N 3.26Å
304	D	51.1	Low	79.9	Confident	155 Å²	155	43.4 Å²	43.4	83%	0.829	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-17.1	180	-61.7	-31.3	0	0	0	113.8	P275	P275-D304 HydrophobicContact CG-CB 4.49Å
305	K	49.2	Very low	79	Confident	136 Å²	136	43.6 Å²	43.6	59%	0.591	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-12.2	-176.5	-58	-169.1	175.3	-166.3	0	115.3	N273 S303	N273-K305 WeakPolarHBondContact O-CE 3.34Å; N273-K305 PolarHBondContact O-NZ 3.41Å; S303-K305 PolarHBondContact O-N 3.2Å
306	S	56	Low	77.6	Confident	26 Å²	26	46.7 Å²	46.7	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	144.8	-179	63.4	0	0	0	0	112.2	S303	S303-S306 WeakPolarHBondContact CB-O 3.34Å; S303-S306 PolarHBondContact N-O 3.44Å; S303-S306 PolarHBondContact O-N 3.26Å
307	R	74.8	Confident	75.7	Confident	61 Å²	61	48.7 Å²	48.7	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110	178.3	-68.3	171.7	-78.4	148.8	-8	108.7	H326 I327 I334 G335	R307-H326 PolarHBondContact N-NE2 3.02Å; R307-H326 VanDerWaalsContact N-NE2 3.19Å; R307-H326 CarbonylContact O-C 3.54Å; R307-H326 WeakPolarHBondContact O-CA 3.42Å; R307-H326 PolarHBondContact O-CD2 2.84Å; R307-H326 PolarHBondContact O-NE2 3.38Å; R307-I327 HydrophobicContact CB-CB 4.02Å; R307-I327 HydrophobicContact CB-CG2 3.37Å; R307-I327 HydrophobicContact CG-CG2 4.33Å; R307-I327 PolarHBondContact O-N 3.41Å; R307-I334 PolarHBondContact NH1-O 3.31Å; R307-G335 VanDerWaalsContact CZ-O 3.24Å; R307-G335 PolarHBondContact NH1-O 3.13Å; R307-G335 PolarHBondContact NH2-O 2.87Å
308	F	84.3	Confident	73.2	Confident	66 Å²	66	59.4 Å²	59.4	29%	0.289	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.8	-175.7	-92.6	-97.3	0	0	0	111.3	Q301 G325	Q301-F308 PolarHBondContact N-O 3.05Å; Q301-F308 PolarHBondContact O-N 3.45Å; F308-G325 WeakPolarHBondContact CA-O 3.44Å; F308-G325 WeakPolarHBondContact CD1-O 3.48Å
309	L	86.9	Confident	70.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	168.9	62.7	93.5	0	0	0	111	V298 F299 M311 E324 G325 I327 Y330	V298-L309 HydrophobicContact CG1-CB 4.2Å; F299-L309 CarbonylContact O-C 3.57Å; F299-L309 VanDerWaalsContact O-CA 3.26Å; F299-L309 WeakPolarHBondContact O-CA 3.27Å; L309-M311 HydrophobicContact CD1-CE 3.35Å; L309-M311 HydrophobicContact CD1-CG 3.53Å; L309-M311 HydrophobicContact CD1-SD 3.54Å; L309-M311 VanDerWaalsContact CD1-SD 3.54Å; L309-E324 WeakPolarHBondContact O-CA 3.17Å; L309-G325 PolarHBondContact N-O 3.32Å; L309-G325 PolarHBondContact O-N 2.93Å; L309-I327 HydrophobicContact CD2-CB 4.42Å; L309-I327 HydrophobicContact CD2-CG1 4.27Å; L309-Y330 HydrophobicContact CD1-CD2 3.78Å; L309-Y330 HydrophobicContact CD1-CE2 4.01Å; L309-Y330 HydrophobicContact CD1-CG 4.13Å; L309-Y330 HydrophobicContact CD2-CD2 3.69Å; L309-Y330 HydrophobicContact CD2-CG 3.98Å; L309-Y330 HydrophobicContact CG-CD2 4.03Å; L309-Y330 HydrophobicContact CG-CE2 4.5Å
310	W	88.4	Confident	68.9	Low	18 Å²	18	71.1 Å²	71.1	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.3	174.2	-59.5	87.4	0	0	0	108.4	K280 F285 V298 F299 L322 R323 E324 L473	K280-W310 HydrophobicContact CB-CH2 3.85Å; K280-W310 HydrophobicContact CB-CZ2 4.32Å; K280-W310 HydrophobicContact CB-CZ3 4.47Å; K280-W310 HydrophobicContact CD-CH2 3.95Å; K280-W310 HydrophobicContact CD-CZ3 3.78Å; K280-W310 HydrophobicContact CG-CH2 3.85Å; K280-W310 HydrophobicContact CG-CZ2 4.48Å; K280-W310 HydrophobicContact CG-CZ3 3.98Å; F285-W310 AromaticContact CZ-NE1 3.69Å; V298-W310 CarbonylContact C-O 3.42Å; V298-W310 WeakPolarHBondContact CA-O 3.3Å; F299-W310 HydrophobicContact CB-CB 4.25Å; F299-W310 PolarHBondContact N-O 2.67Å; F299-W310 PolarHBondContact O-N 3.23Å; W310-L322 HydrophobicContact CE3-CD1 4.46Å; W310-L322 HydrophobicContact CE3-CD2 3.49Å; W310-L322 VanDerWaalsContact CE3-CD2 3.49Å; W310-L322 HydrophobicContact CE3-CG 3.99Å; W310-L322 HydrophobicContact CZ3-CD2 3.68Å; W310-L322 HydrophobicContact CZ3-CG 4.5Å; W310-R323 CarbonylContact C-O 3.53Å; W310-R323 WeakPolarHBondContact CA-O 3.49Å; W310-E324 HydrophobicContact CD2-CB 4.28Å; W310-E324 HydrophobicContact CE3-CB 3.75Å; W310-E324 HydrophobicContact CH2-CB 4.21Å; W310-E324 WeakPolarHBondContact CH2-OE2 3.45Å; W310-E324 HydrophobicContact CZ3-CB 3.73Å; W310-E324 HydrophobicContact CZ3-CG 4.37Å; W310-E324 WeakPolarHBondContact CZ3-OE2 3.31Å; W310-L473 HydrophobicContact CB-CD2 3.65Å; W310-L473 HydrophobicContact CD2-CD1 4.25Å; W310-L473 HydrophobicContact CD2-CD2 4.02Å; W310-L473 HydrophobicContact CE3-CD2 4.28Å; W310-L473 HydrophobicContact CG-CD1 4.46Å; W310-L473 HydrophobicContact CG-CD2 3.76Å
311	M	88.9	Confident	67.6	Low	1 Å²	1	79 Å²	79	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.1	179.6	-61.6	156.7	-75.1	0	0	109.4	I297 V298 L309 R323 Y330 L365	I297-M311 WeakPolarHBondContact O-CA 3.45Å; V298-M311 HydrophobicContact CG1-CG 4.5Å; V298-M311 HydrophobicContact CG2-CG 4.26Å; L309-M311 HydrophobicContact CD1-CE 3.35Å; L309-M311 HydrophobicContact CD1-CG 3.53Å; L309-M311 HydrophobicContact CD1-SD 3.54Å; L309-M311 VanDerWaalsContact CD1-SD 3.54Å; M311-R323 HydrophobicContact CB-CB 4.36Å; M311-R323 HydrophobicContact CE-CB 3.56Å; M311-R323 PolarHBondContact N-O 3.41Å; M311-R323 PolarHBondContact O-N 3.34Å; M311-Y330 HydrophobicContact CE-CD1 4.27Å; M311-Y330 HydrophobicContact CE-CE1 3.56Å; M311-Y330 HydrophobicContact CE-CE2 3.86Å; M311-Y330 WeakPolarHBondContact CE-OH 3.42Å; M311-Y330 HydrophobicContact SD-CD1 4Å; M311-Y330 HydrophobicContact SD-CE1 3.73Å; M311-L365 HydrophobicContact CG-CD1 3.96Å; M311-L365 HydrophobicContact SD-CD1 3.43Å; M311-L365 WeakPolarHBondContact SD-CD1 3.26Å
312	R	86	Confident	67.2	Low	63 Å²	63	80.5 Å²	80.5	24%	0.238	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	173.2	-177.5	166.8	178.1	169.6	0	110.1	E296 I297 L322 S471 W472	E296-R312 CarbonylContact C-O 3.57Å; E296-R312 WeakPolarHBondContact CA-O 3.19Å; I297-R312 PolarHBondContact N-O 3.29Å; I297-R312 PolarHBondContact O-N 2.8Å; R312-L322 HydrophobicContact CB-CD1 4.06Å; R312-S471 PolarHBondContact NH1-O 3.04Å; R312-S471 VanDerWaalsContact NH1-O 3.14Å; R312-W472 WeakPolarHBondContact CD-O 3.4Å; R312-W472 VanDerWaalsContact NH1-C 3.27Å; R312-W472 PolarHBondContact NH1-O 2.92Å
313	T	81.3	Confident	67.4	Low	41 Å²	41	84.1 Å²	84.1	25%	0.252	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.2	176	-51.9	0	0	0	0	111	N295 K315	N295-T313 WeakPolarHBondContact O-CA 3.47Å; T313-K315 HydrophobicContact CG2-CB 4.23Å
314	T	73.6	Confident	68.3	Low	21 Å²	21	88 Å²	88	13%	0.129	40%	0.398	C	S	.	.	S	Bend	trans	-75.9	-25.4	179.8	55.1	0	0	0	0	113.2	V292 N295 I297 L441	V292-T314 HydrophobicContact CG1-CG2 4.14Å; N295-T314 PolarHBondContact O-N 2.89Å; N295-T314 PolarHBondContact O-OG1 3.23Å; N295-T314 VanDerWaalsContact O-OG1 3.1Å; I297-T314 HydrophobicContact CD1-CG2 4.5Å; I297-T314 HydrophobicContact CG1-CG2 3.77Å; T314-L441 HydrophobicContact CG2-CD1 3.73Å
315	K	66.1	Low	69.8	Low	127 Å²	127	81.3 Å²	81.3	55%	0.552	37%	0.366	S	S	*	.	S	Bend	trans	-79.4	125.8	176.4	-63.6	-173.1	179.2	-177	0	110.7	T313 T317 N320	T313-K315 HydrophobicContact CG2-CB 4.23Å; K315-T317 HydrophobicContact CB-CG2 4.26Å; K315-T317 PolarHBondContact O-N 3.05Å; K315-N320 PolarHBondContact O-OD1 3.24Å
316	L	53.3	Low	71.4	Confident	158 Å²	158	77.4 Å²	77.4	83%	0.827	35%	0.35	S	S	*	.			trans	-69.4	78.6	167.9	-70.8	162.2	0	0	0	109.5
317	T	48.6	Very low	72.7	Confident	73 Å²	73	76.3 Å²	76.3	45%	0.448	34%	0.341	S	S	.	.			trans	-101.2	155.7	166.3	60.3	0	0	0	0	109	K315 W319 N320	K315-T317 HydrophobicContact CB-CG2 4.26Å; K315-T317 PolarHBondContact O-N 3.05Å; T317-W319 PolarHBondContact O-N 3.47Å; T317-N320 PolarHBondContact O-N 3.15Å; T317-N320 PolarHBondContact O-OD1 3.19Å
318	Y	38.5	Very low	73.2	Confident	227 Å²	227	76 Å²	76	89%	0.89	35%	0.349	S	S	*	.	S	Bend	trans	-54.7	-13.6	178.9	-151.7	-94.4	0	0	0	113.1
319	W	40.2	Very low	73.2	Confident	177 Å²	177	77 Å²	77	67%	0.67	36%	0.36	S	S	*	.			trans	-111.8	59.1	176.3	-58.7	101.5	0	0	0	111.9	T317 R321	T317-W319 PolarHBondContact O-N 3.47Å; W319-R321 PolarHBondContact O-N 3.39Å
320	N	55.8	Low	73.1	Confident	69 Å²	69	78.5 Å²	78.5	37%	0.369	37%	0.366	S	S	.	.			trans	-65.8	74.6	168	-79.5	-25.7	0	0	0	110.3	K315 T317 L322	K315-N320 PolarHBondContact O-OD1 3.24Å; T317-N320 PolarHBondContact O-N 3.15Å; T317-N320 PolarHBondContact O-OD1 3.19Å; N320-L322 PolarHBondContact O-N 3.33Å
321	R	63.5	Low	73.1	Confident	168 Å²	168	77.8 Å²	77.8	63%	0.634	36%	0.364	S	S	*	.			trans	-79.3	101.9	177.9	-70.6	-173.7	-176.2	-176.8	2	108.8	W319 R323	W319-R321 PolarHBondContact O-N 3.39Å; R321-R323 PolarHBondContact O-N 3.36Å
322	L	79.8	Confident	72.7	Confident	45 Å²	45	81.4 Å²	81.4	24%	0.236	39%	0.387	C	S	.	.			trans	-64.3	126.7	162.6	-173	78.1	0	0	0	108.2	K280 W310 R312 N320 L473	K280-L322 HydrophobicContact CD-CD2 4.03Å; W310-L322 HydrophobicContact CE3-CD1 4.46Å; W310-L322 HydrophobicContact CE3-CD2 3.49Å; W310-L322 VanDerWaalsContact CE3-CD2 3.49Å; W310-L322 HydrophobicContact CE3-CG 3.99Å; W310-L322 HydrophobicContact CZ3-CD2 3.68Å; W310-L322 HydrophobicContact CZ3-CG 4.5Å; R312-L322 HydrophobicContact CB-CD1 4.06Å; N320-L322 PolarHBondContact O-N 3.33Å; L322-L473 HydrophobicContact CD1-CD2 4.12Å; L322-L473 HydrophobicContact CD2-CB 4.09Å; L322-L473 HydrophobicContact CD2-CD2 4.47Å; L322-L473 WeakPolarHBondContact CD2-O 3.47Å
323	R	83.9	Confident	72.6	Confident	104 Å²	104	81 Å²	81	39%	0.392	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.9	175.4	-55.1	-176	-52.8	-159.7	12.2	109.3	E296 W310 M311 R321	E296-R323 IonicContact OE1-CZ 2.63Å; E296-R323 IonicContact OE1-NE 2.99Å; E296-R323 IonicContact OE1-NH1 2.91Å; E296-R323 PolarHBondContact OE1-NH1 3.32Å; E296-R323 IonicContact OE1-NH2 3.99Å; E296-R323 PolarHBondContact OE1-NH2 3.17Å; E296-R323 IonicContact OE2-CZ 2.87Å; E296-R323 IonicContact OE2-NH2 3.3Å; E296-R323 PolarHBondContact OE2-NH2 3.38Å; W310-R323 CarbonylContact C-O 3.53Å; W310-R323 WeakPolarHBondContact CA-O 3.49Å; M311-R323 HydrophobicContact CB-CB 4.36Å; M311-R323 HydrophobicContact CE-CB 3.56Å; M311-R323 PolarHBondContact N-O 3.41Å; M311-R323 PolarHBondContact O-N 3.34Å; R321-R323 PolarHBondContact O-N 3.36Å
324	E	85	Confident	72.8	Confident	111 Å²	111	79.3 Å²	79.3	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	159.6	177.3	67.4	-173.5	-135.4	0	0	110.4	L309 W310	L309-E324 WeakPolarHBondContact O-CA 3.17Å; W310-E324 HydrophobicContact CD2-CB 4.28Å; W310-E324 HydrophobicContact CE3-CB 3.75Å; W310-E324 HydrophobicContact CH2-CB 4.21Å; W310-E324 WeakPolarHBondContact CH2-OE2 3.45Å; W310-E324 HydrophobicContact CZ3-CB 3.73Å; W310-E324 HydrophobicContact CZ3-CG 4.37Å; W310-E324 WeakPolarHBondContact CZ3-OE2 3.31Å
325	G	81.6	Confident	73	Confident	15 Å²	15	80.9 Å²	80.9	16%	0.155	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	178.4	166.5	0	0	0	0	0	112.4	F308 L309	F308-G325 WeakPolarHBondContact CA-O 3.44Å; F308-G325 WeakPolarHBondContact CD1-O 3.48Å; L309-G325 PolarHBondContact N-O 3.32Å; L309-G325 PolarHBondContact O-N 2.93Å
326	H	82.3	Confident	73.9	Confident	55 Å²	55	77 Å²	77	26%	0.255	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.1	-178.1	-159.2	-101.6	0	0	0	111.1	R307 S328 T329	R307-H326 PolarHBondContact N-NE2 3.02Å; R307-H326 VanDerWaalsContact N-NE2 3.19Å; R307-H326 CarbonylContact O-C 3.54Å; R307-H326 WeakPolarHBondContact O-CA 3.42Å; R307-H326 PolarHBondContact O-CD2 2.84Å; R307-H326 PolarHBondContact O-NE2 3.38Å; H326-S328 PolarHBondContact ND1-OG 2.73Å; H326-S328 PolarHBondContact O-N 2.71Å; H326-T329 WeakPolarHBondContact O-CB 3.32Å; H326-T329 PolarHBondContact O-N 3.27Å
327	I	84.8	Confident	75.5	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-56.3	-40.3	-177.1	-163.3	171	0	0	0	112.2	F300 R307 L309 T329 Y330 L331 I334 V338	F300-I327 HydrophobicContact CD1-CD1 4.03Å; F300-I327 HydrophobicContact CE1-CD1 4.21Å; R307-I327 HydrophobicContact CB-CB 4.02Å; R307-I327 HydrophobicContact CB-CG2 3.37Å; R307-I327 HydrophobicContact CG-CG2 4.33Å; R307-I327 PolarHBondContact O-N 3.41Å; L309-I327 HydrophobicContact CD2-CB 4.42Å; L309-I327 HydrophobicContact CD2-CG1 4.27Å; I327-T329 PolarHBondContact O-N 2.93Å; I327-T329 VanDerWaalsContact O-N 3.16Å; I327-Y330 PolarHBondContact O-N 2.75Å; I327-L331 HydrophobicContact CD1-CD1 4.33Å; I327-L331 HydrophobicContact CG1-CB 4.16Å; I327-L331 HydrophobicContact CG1-CD1 3.99Å; I327-L331 WeakPolarHBondContact O-CA 3.33Å; I327-L331 PolarHBondContact O-N 2.68Å; I327-I334 HydrophobicContact CD1-CG2 4.35Å; I327-V338 HydrophobicContact CD1-CG2 3.6Å
328	S	84	Confident	77.6	Confident	56 Å²	56	68.3 Å²	68.3	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-22	-178.7	59.5	0	0	0	0	113.6	H326 Y330	H326-S328 PolarHBondContact ND1-OG 2.73Å; H326-S328 PolarHBondContact O-N 2.71Å; S328-Y330 VanDerWaalsContact C-N 3.35Å
329	T	84.8	Confident	80.1	Confident	86 Å²	86	57.8 Å²	57.8	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-72.6	-30.8	176.1	-54.5	0	0	0	0	111.8	H326 I327	H326-T329 WeakPolarHBondContact O-CB 3.32Å; H326-T329 PolarHBondContact O-N 3.27Å; I327-T329 PolarHBondContact O-N 2.93Å; I327-T329 VanDerWaalsContact O-N 3.16Å
330	Y	85.6	Confident	82.8	Confident	31 Å²	31	49.4 Å²	49.4	12%	0.122	27%	0.27	C	S	.	.	H	α-helix	trans	-110.1	-20	-176.4	-59.5	-93.2	0	0	0	113	L309 M311 I327 S328 L365 K366	L309-Y330 HydrophobicContact CD1-CD2 3.78Å; L309-Y330 HydrophobicContact CD1-CE2 4.01Å; L309-Y330 HydrophobicContact CD1-CG 4.13Å; L309-Y330 HydrophobicContact CD2-CD2 3.69Å; L309-Y330 HydrophobicContact CD2-CG 3.98Å; L309-Y330 HydrophobicContact CG-CD2 4.03Å; L309-Y330 HydrophobicContact CG-CE2 4.5Å; M311-Y330 HydrophobicContact CE-CD1 4.27Å; M311-Y330 HydrophobicContact CE-CE1 3.56Å; M311-Y330 HydrophobicContact CE-CE2 3.86Å; M311-Y330 WeakPolarHBondContact CE-OH 3.42Å; M311-Y330 HydrophobicContact SD-CD1 4Å; M311-Y330 HydrophobicContact SD-CE1 3.73Å; I327-Y330 PolarHBondContact O-N 2.75Å; S328-Y330 VanDerWaalsContact C-N 3.35Å; Y330-L365 HydrophobicContact CD1-CB 4.36Å; Y330-L365 HydrophobicContact CD1-CD1 4.37Å; Y330-K366 HydrophobicContact CD1-CG 4.21Å; Y330-K366 VanDerWaalsContact O-CA 3.29Å; Y330-K366 WeakPolarHBondContact O-CA 3.41Å; Y330-K366 PolarHBondContact O-N 3.44Å
331	L	87.1	Confident	84.7	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.253	C	S	.	.			trans	-140.3	73.3	-177.2	-62.7	170.6	0	0	0	108.4	F300 I327 D333 I334 L352 V362 L365	F300-L331 HydrophobicContact CE1-CD1 3.73Å; F300-L331 HydrophobicContact CZ-CD1 4.24Å; I327-L331 HydrophobicContact CD1-CD1 4.33Å; I327-L331 HydrophobicContact CG1-CB 4.16Å; I327-L331 HydrophobicContact CG1-CD1 3.99Å; I327-L331 WeakPolarHBondContact O-CA 3.33Å; I327-L331 PolarHBondContact O-N 2.68Å; L331-D333 VanDerWaalsContact C-N 3.27Å; L331-D333 PolarHBondContact O-N 3.11Å; L331-I334 HydrophobicContact CB-CB 4.3Å; L331-I334 HydrophobicContact CB-CD1 4.16Å; L331-I334 HydrophobicContact CB-CG1 4.26Å; L331-I334 HydrophobicContact CD1-CD1 4.18Å; L331-I334 PolarHBondContact O-N 2.9Å; L331-L352 HydrophobicContact CD1-CD1 3.67Å; L331-L352 HydrophobicContact CD2-CD1 4.39Å; L331-V362 HydrophobicContact CD2-CB 4.45Å; L331-V362 HydrophobicContact CD2-CG1 3.75Å; L331-V362 HydrophobicContact CD2-CG2 4.02Å; L331-L365 HydrophobicContact CD2-CD2 4.23Å; L331-L365 HydrophobicContact CG-CD2 4.4Å
332	P	81.4	Confident	86.3	Confident	76 Å²	76	38.2 Å²	38.2	49%	0.494	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.8	-169.9	25.4	-34.6	0	0	0	113.6	I334	P332-I334 VanDerWaalsContact C-N 3.26Å; P332-I334 PolarHBondContact O-N 3.3Å
333	D	84.3	Confident	87	Confident	56 Å²	56	37 Å²	37	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.1	-178.8	-57.2	-35.4	0	0	0	113	L331 G335 W360 R368 G369	L331-D333 VanDerWaalsContact C-N 3.27Å; L331-D333 PolarHBondContact O-N 3.11Å; D333-G335 PolarHBondContact O-N 2.78Å; D333-W360 HydrophobicContact CB-CE3 4.31Å; D333-W360 HydrophobicContact CB-CH2 4.14Å; D333-W360 HydrophobicContact CB-CZ3 3.74Å; D333-W360 WeakPolarHBondContact O-CH2 3.43Å; D333-W360 WeakPolarHBondContact O-CZ2 3.14Å; D333-R368 WeakPolarHBondContact OD2-CA 3.43Å; D333-R368 WeakPolarHBondContact OD2-CB 3.42Å; D333-R368 WeakPolarHBondContact OD2-CG 3.26Å; D333-G369 PolarHBondContact OD2-N 2.91Å
334	I	84.3	Confident	87.5	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	20%	0.199	C	C	.	.			trans	-94.1	91.4	-175.7	-56.4	-173	0	0	0	109.8	R307 I327 L331 P332 S336 V338 L352 T354 W360 V362	R307-I334 PolarHBondContact NH1-O 3.31Å; I327-I334 HydrophobicContact CD1-CG2 4.35Å; L331-I334 HydrophobicContact CB-CB 4.3Å; L331-I334 HydrophobicContact CB-CD1 4.16Å; L331-I334 HydrophobicContact CB-CG1 4.26Å; L331-I334 HydrophobicContact CD1-CD1 4.18Å; L331-I334 PolarHBondContact O-N 2.9Å; P332-I334 VanDerWaalsContact C-N 3.26Å; P332-I334 PolarHBondContact O-N 3.3Å; I334-S336 VanDerWaalsContact C-N 3.34Å; I334-S336 WeakPolarHBondContact CG2-O 3.28Å; I334-V338 HydrophobicContact CG2-CG2 4.05Å; I334-L352 HydrophobicContact CD1-CB 4.29Å; I334-L352 HydrophobicContact CD1-CD1 3.49Å; I334-L352 VanDerWaalsContact CD1-CD1 3.49Å; I334-L352 HydrophobicContact CD1-CG 4.49Å; I334-T354 HydrophobicContact CG2-CG2 3.91Å; I334-W360 HydrophobicContact CD1-CB 3.78Å; I334-W360 HydrophobicContact CD1-CD2 4.49Å; I334-W360 HydrophobicContact CD1-CG 3.86Å; I334-W360 HydrophobicContact CG1-CB 4.24Å; I334-W360 HydrophobicContact CG1-CD2 3.98Å; I334-W360 HydrophobicContact CG1-CE3 4.5Å; I334-W360 HydrophobicContact CG1-CG 3.83Å; I334-V362 HydrophobicContact CD1-CG2 4.46Å
335	G	78.3	Confident	87.7	Confident	54 Å²	54	31 Å²	31	56%	0.557	20%	0.201	S	C	*	.			trans	-77.8	-14	176.4	0	0	0	0	0	115	R307 D333	R307-G335 VanDerWaalsContact CZ-O 3.24Å; R307-G335 PolarHBondContact NH1-O 3.13Å; R307-G335 PolarHBondContact NH2-O 2.87Å; D333-G335 PolarHBondContact O-N 2.78Å
336	S	85.1	Confident	88	Confident	45 Å²	45	35.1 Å²	35.1	32%	0.315	23%	0.233	S	C	.	.	S	Bend	trans	-109.3	161.3	-172	-60.6	0	0	0	0	112.8	I334	I334-S336 VanDerWaalsContact C-N 3.34Å; I334-S336 WeakPolarHBondContact CG2-O 3.28Å
337	P	87.3	Confident	88.4	Confident	49 Å²	49	37.1 Å²	37.1	32%	0.318	24%	0.241	S	C	.	.			trans	-57.8	142.2	169.8	-24.3	35.7	0	0	0	111.8	N302 T354	N302-P337 HydrophobicContact CB-CB 4.14Å; N302-P337 WeakPolarHBondContact OD1-CA 3.44Å; P337-T354 VanDerWaalsContact O-CA 3.25Å; P337-T354 WeakPolarHBondContact O-CA 3.42Å; P337-T354 WeakPolarHBondContact O-CB 3.22Å; P337-T354 WeakPolarHBondContact O-CG2 3.23Å
338	V	91.8	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.1	176	178	0	0	0	0	108.4	A289 F300 N302 I327 I334 A341 L352 F353 T354	A289-V338 HydrophobicContact CB-CG1 3.95Å; F300-V338 HydrophobicContact CB-CB 4.37Å; F300-V338 HydrophobicContact CD1-CB 4.01Å; F300-V338 HydrophobicContact CD1-CG1 4.17Å; F300-V338 HydrophobicContact CD1-CG2 4.08Å; F300-V338 HydrophobicContact CD2-CG1 4.33Å; F300-V338 HydrophobicContact CE1-CG1 4.48Å; F300-V338 HydrophobicContact CE1-CG2 4.3Å; F300-V338 HydrophobicContact CG-CB 4.19Å; F300-V338 HydrophobicContact CG-CG1 4.08Å; N302-V338 PolarHBondContact ND2-O 2.91Å; N302-V338 PolarHBondContact OD1-N 3.3Å; N302-V338 VanDerWaalsContact OD1-N 3.13Å; I327-V338 HydrophobicContact CD1-CG2 3.6Å; I334-V338 HydrophobicContact CG2-CG2 4.05Å; V338-A341 HydrophobicContact CG1-CB 4.42Å; V338-L352 HydrophobicContact CG1-CB 4.16Å; V338-L352 HydrophobicContact CG1-CD2 4.46Å; V338-F353 CarbonylContact C-O 3.55Å; V338-F353 WeakPolarHBondContact CA-O 3.37Å; V338-T354 HydrophobicContact CG2-CG2 4.17Å
339	D	92.4	Very high	89	Confident	7 Å²	7	38.8 Å²	38.8	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-25.8	-169.7	-60.1	-24.5	0	0	0	112.9	D288 F353 A355 R385 V386 D387	D288-D339 CarbonylContact O-C 3.6Å; D339-F353 PolarHBondContact N-O 3.45Å; D339-A355 PolarHBondContact OD2-N 3.31Å; D339-R385 HydrophobicContact CB-CG 3.95Å; D339-R385 VanDerWaalsContact CG-NH2 3.31Å; D339-R385 IonicContact OD1-CZ 3.71Å; D339-R385 IonicContact OD1-NE 2.67Å; D339-R385 PolarHBondContact OD1-NE 3.07Å; D339-R385 IonicContact OD1-NH2 3.09Å; D339-R385 PolarHBondContact OD1-NH2 3.35Å; D339-R385 WeakPolarHBondContact OD2-CG 3.26Å; D339-R385 IonicContact OD2-CZ 2.68Å; D339-R385 IonicContact OD2-NE 2.59Å; D339-R385 PolarHBondContact OD2-NE 2.98Å; D339-R385 IonicContact OD2-NH2 3.31Å; D339-V386 CarbonylContact C-O 3.59Å; D339-D387 VanDerWaalsContact O-O 3.09Å
340	A	95.8	Very high	89.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.5	172.8	0	0	0	0	0	108.3	F353 V386 A389	A340-F353 HydrophobicContact CB-CB 4.14Å; A340-F353 HydrophobicContact CB-CD2 4.03Å; A340-F353 HydrophobicContact CB-CG 4.41Å; A340-F353 PolarHBondContact O-N 3.33Å; A340-V386 HydrophobicContact CB-CB 4.05Å; A340-V386 HydrophobicContact CB-CG1 3.78Å; A340-V386 WeakPolarHBondContact CB-O 3.29Å; A340-A389 HydrophobicContact CB-CB 4.41Å
341	A	96.7	Very high	90	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.3	176.5	0	0	0	0	0	108.8	A289 A290 A291 F300 V338 Y351 L352 A389	A289-A341 HydrophobicContact CB-CB 3.93Å; A290-A341 CarbonylContact O-C 3.43Å; A291-A341 HydrophobicContact CB-CB 3.65Å; F300-A341 HydrophobicContact CD2-CB 4.25Å; F300-A341 HydrophobicContact CE2-CB 3.93Å; V338-A341 HydrophobicContact CG1-CB 4.42Å; A341-Y351 CarbonylContact C-O 3.4Å; A341-Y351 VanDerWaalsContact CA-O 3.28Å; A341-Y351 WeakPolarHBondContact CA-O 3.18Å; A341-L352 HydrophobicContact CB-CD2 3.45Å; A341-L352 VanDerWaalsContact CB-CD2 3.45Å; A341-A389 VanDerWaalsContact O-O 3.08Å
342	Y	96.5	Very high	90.3	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.8	166.3	74.3	-77	0	0	0	109.9	I344 A350 Y351 F353 A389 H391 T398 F400	Y342-I344 HydrophobicContact CD2-CG1 4.14Å; Y342-I344 HydrophobicContact CE2-CD1 3.84Å; Y342-I344 HydrophobicContact CE2-CG1 3.65Å; Y342-A350 CarbonylContact O-C 3.47Å; Y342-A350 WeakPolarHBondContact O-CA 3.19Å; Y342-Y351 HydrophobicContact CE1-CD2 4.25Å; Y342-Y351 AromaticContact CE1-CG 3.8Å; Y342-Y351 HydrophobicContact CE1-CG 3.8Å; Y342-Y351 HydrophobicContact CE2-CD2 4Å; Y342-Y351 HydrophobicContact CE2-CG 4.36Å; Y342-Y351 AromaticContact CZ-CD2 3.77Å; Y342-Y351 AromaticContact CZ-CG 3.67Å; Y342-Y351 PolarHBondContact N-O 3.49Å; Y342-Y351 PolarHBondContact O-N 2.95Å; Y342-F353 AromaticContact CD1-CE2 3.69Å; Y342-F353 HydrophobicContact CD1-CE2 3.69Å; Y342-F353 AromaticContact CE1-CE2 3.49Å; Y342-F353 HydrophobicContact CE1-CE2 3.49Å; Y342-F353 VanDerWaalsContact CE1-CE2 3.49Å; Y342-F353 AromaticContact CE1-CZ 3.91Å; Y342-F353 HydrophobicContact CE1-CZ 3.91Å; Y342-A389 HydrophobicContact CD1-CB 3.6Å; Y342-A389 HydrophobicContact CG-CB 3.99Å; Y342-H391 HydrophobicContact CD2-CB 3.91Å; Y342-H391 HydrophobicContact CE2-CB 4.44Å; Y342-T398 HydrophobicContact CD1-CG2 4.5Å; Y342-T398 HydrophobicContact CD2-CG2 3.92Å; Y342-T398 HydrophobicContact CE1-CG2 4.35Å; Y342-T398 HydrophobicContact CE2-CG2 3.72Å; Y342-T398 HydrophobicContact CG-CG2 4.29Å; Y342-F400 HydrophobicContact CD1-CE1 4.23Å; Y342-F400 AromaticContact CE1-CE1 3.83Å; Y342-F400 HydrophobicContact CE1-CE1 3.83Å; Y342-F400 HydrophobicContact CE1-CZ 4.15Å
343	D	94.9	Very high	91	Very high	20 Å²	20	31.1 Å²	31.1	11%	0.107	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.8	175.6	62.5	-74.4	0	0	0	111.5	V292 P345 M349 A350 H391	V292-D343 PolarHBondContact N-OD1 3.33Å; V292-D343 WeakPolarHBondContact O-CB 3.44Å; D343-P345 WeakPolarHBondContact O-CD 3.41Å; D343-P345 WeakPolarHBondContact OD2-CD 3.21Å; D343-P345 WeakPolarHBondContact OD2-CG 3.35Å; D343-M349 WeakPolarHBondContact CA-O 3.44Å; D343-A350 HydrophobicContact CB-CB 4.37Å; D343-H391 VanDerWaalsContact O-CB 3.29Å; D343-H391 WeakPolarHBondContact O-CB 3.48Å
344	I	93.9	Very high	91.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	96.6	168.7	-59.6	174.1	0	0	0	106.8	Y342 A346 K347 G348 M349 Y351 H391 E411	Y342-I344 HydrophobicContact CD2-CG1 4.14Å; Y342-I344 HydrophobicContact CE2-CD1 3.84Å; Y342-I344 HydrophobicContact CE2-CG1 3.65Å; I344-A346 HydrophobicContact CG2-CB 4.41Å; I344-A346 PolarHBondContact O-N 3.03Å; I344-A346 VanDerWaalsContact O-N 3.16Å; I344-K347 HydrophobicContact CB-CB 4.22Å; I344-K347 HydrophobicContact CB-CD 4.2Å; I344-K347 HydrophobicContact CB-CG 4.31Å; I344-K347 HydrophobicContact CD1-CD 3.85Å; I344-K347 HydrophobicContact CG2-CB 4.03Å; I344-K347 HydrophobicContact CG2-CD 3.89Å; I344-K347 HydrophobicContact CG2-CG 3.74Å; I344-K347 PolarHBondContact O-N 3.27Å; I344-G348 PolarHBondContact O-N 3.02Å; I344-M349 PolarHBondContact N-O 2.82Å; I344-Y351 HydrophobicContact CD1-CD2 4.38Å; I344-Y351 HydrophobicContact CD1-CE2 3.73Å; I344-Y351 HydrophobicContact CG1-CE2 4.19Å; I344-H391 HydrophobicContact CG1-CB 4.37Å; I344-E411 VanDerWaalsContact CD1-CD 3.48Å; I344-E411 HydrophobicContact CD1-CG 4.32Å; I344-E411 WeakPolarHBondContact CD1-OE2 3.45Å
345	P	89.1	Confident	91.1	Very high	84 Å²	84	30.7 Å²	30.7	55%	0.545	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.5	-177	-29.8	35.2	0	0	0	113.6	D343 K347 G348	D343-P345 WeakPolarHBondContact O-CD 3.41Å; D343-P345 WeakPolarHBondContact OD2-CD 3.21Å; D343-P345 WeakPolarHBondContact OD2-CG 3.35Å; P345-K347 VanDerWaalsContact C-N 3.26Å; P345-K347 PolarHBondContact O-N 3.21Å; P345-G348 PolarHBondContact O-N 2.99Å; P345-G348 VanDerWaalsContact O-N 3.12Å
346	A	88.6	Confident	90.9	Very high	101 Å²	101	30.6 Å²	30.6	84%	0.835	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.4	178.8	0	0	0	0	0	113.5	I344	I344-A346 HydrophobicContact CG2-CB 4.41Å; I344-A346 PolarHBondContact O-N 3.03Å; I344-A346 VanDerWaalsContact O-N 3.16Å
347	K	89.6	Confident	90.8	Very high	98 Å²	98	31 Å²	31	43%	0.426	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-17.4	175.6	-63.9	177.3	-176	169.6	0	111.8	I344 P345 M349 E411	I344-K347 HydrophobicContact CB-CB 4.22Å; I344-K347 HydrophobicContact CB-CD 4.2Å; I344-K347 HydrophobicContact CB-CG 4.31Å; I344-K347 HydrophobicContact CD1-CD 3.85Å; I344-K347 HydrophobicContact CG2-CB 4.03Å; I344-K347 HydrophobicContact CG2-CD 3.89Å; I344-K347 HydrophobicContact CG2-CG 3.74Å; I344-K347 PolarHBondContact O-N 3.27Å; P345-K347 VanDerWaalsContact C-N 3.26Å; P345-K347 PolarHBondContact O-N 3.21Å; K347-M349 HydrophobicContact CB-CB 4.3Å; K347-M349 HydrophobicContact CB-CG 4.14Å; K347-M349 WeakPolarHBondContact O-CG 3.23Å; K347-M349 PolarHBondContact O-N 2.91Å; K347-E411 IonicContact NZ-OE2 3.69Å; K347-E411 PolarHBondContact NZ-OE2 2.79Å
348	G	89.3	Confident	90.9	Very high	39 Å²	39	34.2 Å²	34.2	40%	0.402	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	26.2	-172	0	0	0	0	0	113.2	I344 P345	I344-G348 PolarHBondContact O-N 3.02Å; P345-G348 PolarHBondContact O-N 2.99Å; P345-G348 VanDerWaalsContact O-N 3.12Å
349	M	92.9	Very high	91	Very high	54 Å²	54	35.4 Å²	35.4	27%	0.266	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.5	-173.9	-59.9	-57.6	171	0	0	111.2	D343 I344 K347 Y351 V361 Q363	D343-M349 WeakPolarHBondContact CA-O 3.44Å; I344-M349 PolarHBondContact N-O 2.82Å; K347-M349 HydrophobicContact CB-CB 4.3Å; K347-M349 HydrophobicContact CB-CG 4.14Å; K347-M349 WeakPolarHBondContact O-CG 3.23Å; K347-M349 PolarHBondContact O-N 2.91Å; M349-Y351 HydrophobicContact CB-CE2 4.08Å; M349-V361 HydrophobicContact CB-CG1 3.93Å; M349-V361 HydrophobicContact CG-CG1 4.18Å; M349-V361 HydrophobicContact SD-CG1 4.36Å; M349-Q363 HydrophobicContact CE-CB 4.17Å; M349-Q363 HydrophobicContact CE-CG 3.92Å; M349-Q363 HydrophobicContact SD-CB 3.6Å; M349-Q363 VanDerWaalsContact SD-CB 3.6Å; M349-Q363 HydrophobicContact SD-CG 3.78Å
350	A	94.8	Very high	91.1	Very high	2 Å²	2	37 Å²	37	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.2	169.3	0	0	0	0	0	110.6	I293 Y342 D343 V361 V362	I293-A350 HydrophobicContact CD1-CB 4Å; I293-A350 HydrophobicContact CG1-CB 3.78Å; Y342-A350 CarbonylContact O-C 3.47Å; Y342-A350 WeakPolarHBondContact O-CA 3.19Å; D343-A350 HydrophobicContact CB-CB 4.37Å; A350-V361 CarbonylContact O-C 3.59Å; A350-V361 WeakPolarHBondContact O-CA 3.36Å; A350-V362 PolarHBondContact N-O 3.21Å; A350-V362 PolarHBondContact O-N 3.39Å
351	Y	95.6	Very high	91	Very high	29 Å²	29	38.5 Å²	38.5	11%	0.114	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.6	-179.6	-68	-104.3	0	0	0	108.1	A341 Y342 I344 M349 Y359 W360 V361 F377	A341-Y351 CarbonylContact C-O 3.4Å; A341-Y351 VanDerWaalsContact CA-O 3.28Å; A341-Y351 WeakPolarHBondContact CA-O 3.18Å; Y342-Y351 HydrophobicContact CE1-CD2 4.25Å; Y342-Y351 AromaticContact CE1-CG 3.8Å; Y342-Y351 HydrophobicContact CE1-CG 3.8Å; Y342-Y351 HydrophobicContact CE2-CD2 4Å; Y342-Y351 HydrophobicContact CE2-CG 4.36Å; Y342-Y351 AromaticContact CZ-CD2 3.77Å; Y342-Y351 AromaticContact CZ-CG 3.67Å; Y342-Y351 PolarHBondContact N-O 3.49Å; Y342-Y351 PolarHBondContact O-N 2.95Å; I344-Y351 HydrophobicContact CD1-CD2 4.38Å; I344-Y351 HydrophobicContact CD1-CE2 3.73Å; I344-Y351 HydrophobicContact CG1-CE2 4.19Å; M349-Y351 HydrophobicContact CB-CE2 4.08Å; Y351-Y359 AromaticContact CD1-CD2 3.88Å; Y351-Y359 HydrophobicContact CD1-CD2 3.88Å; Y351-Y359 AromaticContact CD1-CE2 3.78Å; Y351-Y359 HydrophobicContact CD1-CE2 3.78Å; Y351-Y359 HydrophobicContact CE1-CE2 4.05Å; Y351-W360 CarbonylContact C-O 3.41Å; Y351-W360 WeakPolarHBondContact CA-O 3.4Å; Y351-V361 HydrophobicContact CD1-CG2 3.81Å; Y351-V361 HydrophobicContact CE1-CG1 4.43Å; Y351-V361 HydrophobicContact CE1-CG2 3.68Å; Y351-F377 HydrophobicContact CD1-CZ 4.28Å
352	L	95	Very high	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	111	-174.8	-52.6	179.9	0	0	0	109.1	F300 L331 I334 V338 A341 Y359 W360 V362	F300-L352 HydrophobicContact CE1-CD1 4.48Å; F300-L352 HydrophobicContact CE2-CD2 4.01Å; F300-L352 HydrophobicContact CZ-CD1 4.21Å; F300-L352 HydrophobicContact CZ-CD2 3.75Å; L331-L352 HydrophobicContact CD1-CD1 3.67Å; L331-L352 HydrophobicContact CD2-CD1 4.39Å; I334-L352 HydrophobicContact CD1-CB 4.29Å; I334-L352 HydrophobicContact CD1-CD1 3.49Å; I334-L352 VanDerWaalsContact CD1-CD1 3.49Å; I334-L352 HydrophobicContact CD1-CG 4.49Å; V338-L352 HydrophobicContact CG1-CB 4.16Å; V338-L352 HydrophobicContact CG1-CD2 4.46Å; A341-L352 HydrophobicContact CB-CD2 3.45Å; A341-L352 VanDerWaalsContact CB-CD2 3.45Å; L352-Y359 CarbonylContact O-C 3.56Å; L352-Y359 WeakPolarHBondContact O-CA 3.5Å; L352-W360 HydrophobicContact CB-CB 4.4Å; L352-W360 PolarHBondContact N-O 2.98Å; L352-W360 PolarHBondContact O-N 3.22Å; L352-V362 HydrophobicContact CD1-CG2 3.88Å
353	F	94.4	Very high	90.4	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.5	177.3	-66.2	-91.5	0	0	0	110.1	V338 D339 A340 Y342 I374 F377 V386 A389 F400	V338-F353 CarbonylContact C-O 3.55Å; V338-F353 WeakPolarHBondContact CA-O 3.37Å; D339-F353 PolarHBondContact N-O 3.45Å; A340-F353 HydrophobicContact CB-CB 4.14Å; A340-F353 HydrophobicContact CB-CD2 4.03Å; A340-F353 HydrophobicContact CB-CG 4.41Å; A340-F353 PolarHBondContact O-N 3.33Å; Y342-F353 AromaticContact CD1-CE2 3.69Å; Y342-F353 HydrophobicContact CD1-CE2 3.69Å; Y342-F353 AromaticContact CE1-CE2 3.49Å; Y342-F353 HydrophobicContact CE1-CE2 3.49Å; Y342-F353 VanDerWaalsContact CE1-CE2 3.49Å; Y342-F353 AromaticContact CE1-CZ 3.91Å; Y342-F353 HydrophobicContact CE1-CZ 3.91Å; F353-I374 HydrophobicContact CD1-CG2 3.55Å; F353-I374 HydrophobicContact CE1-CG2 3.77Å; F353-F377 HydrophobicContact CE1-CD2 4.18Å; F353-F377 AromaticContact CE1-CE2 3.88Å; F353-F377 HydrophobicContact CE1-CE2 3.88Å; F353-F377 HydrophobicContact CZ-CD2 4.4Å; F353-F377 AromaticContact CZ-CE2 3.91Å; F353-F377 HydrophobicContact CZ-CE2 3.91Å; F353-F377 HydrophobicContact CZ-CZ 4.14Å; F353-V386 HydrophobicContact CD1-CB 4.45Å; F353-V386 HydrophobicContact CD1-CG2 4.02Å; F353-V386 HydrophobicContact CE1-CG2 4.27Å; F353-V386 HydrophobicContact CG-CB 4.32Å; F353-V386 HydrophobicContact CG-CG2 4.39Å; F353-A389 HydrophobicContact CE2-CB 4.24Å; F353-F400 HydrophobicContact CE1-CE1 4.46Å; F353-F400 HydrophobicContact CE2-CD1 4.31Å; F353-F400 AromaticContact CE2-CE1 3.65Å; F353-F400 HydrophobicContact CE2-CE1 3.65Å; F353-F400 HydrophobicContact CZ-CD1 4.2Å; F353-F400 AromaticContact CZ-CE1 3.42Å; F353-F400 HydrophobicContact CZ-CE1 3.42Å; F353-F400 VanDerWaalsContact CZ-CE1 3.42Å; F353-F400 HydrophobicContact CZ-CZ 4.01Å
354	T	90.8	Very high	90	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.2	-176.6	57.7	0	0	0	0	111	I334 P337 V338 G356 K358	I334-T354 HydrophobicContact CG2-CG2 3.91Å; P337-T354 VanDerWaalsContact O-CA 3.25Å; P337-T354 WeakPolarHBondContact O-CA 3.42Å; P337-T354 WeakPolarHBondContact O-CB 3.22Å; P337-T354 WeakPolarHBondContact O-CG2 3.23Å; V338-T354 HydrophobicContact CG2-CG2 4.17Å; T354-G356 PolarHBondContact O-N 2.93Å; T354-K358 PolarHBondContact N-O 2.94Å; T354-K358 PolarHBondContact OG1-O 2.83Å; T354-K358 VanDerWaalsContact OG1-O 3.04Å
355	A	80.5	Confident	89.5	Confident	45 Å²	45	47.7 Å²	47.7	37%	0.372	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.9	176.6	0	0	0	0	0	112.3	D339	D339-A355 PolarHBondContact OD2-N 3.31Å
356	G	73.4	Confident	89.2	Confident	52 Å²	52	50.6 Å²	50.6	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	37.5	174.9	0	0	0	0	0	115.2	T354 K358	T354-G356 PolarHBondContact O-N 2.93Å; G356-K358 PolarHBondContact O-N 3.47Å
357	H	82.9	Confident	88.9	Confident	55 Å²	55	47.7 Å²	47.7	26%	0.255	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	21.1	176.1	-59.3	-102.7	0	0	0	115	N373 I374 V383	H357-N373 WeakPolarHBondContact O-CA 3.4Å; H357-N373 PolarHBondContact O-OD1 3.21Å; H357-I374 HydrophobicContact CB-CD1 4.16Å; H357-I374 HydrophobicContact CB-CG1 3.92Å; H357-I374 PolarHBondContact O-N 3.26Å; H357-V383 PolarHBondContact CE1-O 2.9Å; H357-V383 VanDerWaalsContact CE1-O 3.27Å
358	K	90.4	Very high	88.6	Confident	115 Å²	115	53.3 Å²	53.3	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.5	-178.2	-69.5	-179.3	-177.9	-178.4	0	111.6	T354 G356 G372	T354-K358 PolarHBondContact N-O 2.94Å; T354-K358 PolarHBondContact OG1-O 2.83Å; T354-K358 VanDerWaalsContact OG1-O 3.04Å; G356-K358 PolarHBondContact O-N 3.47Å; K358-G372 WeakPolarHBondContact CA-O 3.46Å
359	Y	93.8	Very high	88.3	Confident	25 Å²	25	52.2 Å²	52.2	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	159.5	164.7	75.3	-87.6	0	0	0	110.3	Y351 L352 V361 A371 G372 N373 E376 F377	Y351-Y359 AromaticContact CD1-CD2 3.88Å; Y351-Y359 HydrophobicContact CD1-CD2 3.88Å; Y351-Y359 AromaticContact CD1-CE2 3.78Å; Y351-Y359 HydrophobicContact CD1-CE2 3.78Å; Y351-Y359 HydrophobicContact CE1-CE2 4.05Å; L352-Y359 CarbonylContact O-C 3.56Å; L352-Y359 WeakPolarHBondContact O-CA 3.5Å; Y359-V361 HydrophobicContact CD2-CG2 4.01Å; Y359-V361 HydrophobicContact CE2-CG2 3.52Å; Y359-A371 CarbonylContact O-C 3.55Å; Y359-A371 WeakPolarHBondContact O-CA 3.37Å; Y359-G372 VanDerWaalsContact CD1-C 3.42Å; Y359-G372 WeakPolarHBondContact CD1-O 3.48Å; Y359-G372 PolarHBondContact N-O 2.71Å; Y359-G372 PolarHBondContact O-N 2.74Å; Y359-N373 WeakPolarHBondContact CE1-O 3.43Å; Y359-E376 WeakPolarHBondContact CE1-OE2 3.32Å; Y359-E376 PolarHBondContact OH-OE2 3.21Å; Y359-F377 AromaticContact CD1-CE2 3.75Å; Y359-F377 HydrophobicContact CD1-CE2 3.75Å; Y359-F377 HydrophobicContact CD2-CE2 4.47Å; Y359-F377 HydrophobicContact CE1-CD2 4.49Å; Y359-F377 AromaticContact CE1-CE2 3.72Å; Y359-F377 HydrophobicContact CE1-CE2 3.72Å; Y359-F377 HydrophobicContact CE1-CZ 4.48Å; Y359-F377 HydrophobicContact CE2-CE2 4.43Å; Y359-F377 HydrophobicContact CG-CE2 4.14Å
360	W	93.8	Very high	88.2	Confident	42 Å²	42	54.5 Å²	54.5	16%	0.159	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.4	178.2	-64.9	84.8	0	0	0	110	D333 I334 Y351 L352 T370 A371	D333-W360 HydrophobicContact CB-CE3 4.31Å; D333-W360 HydrophobicContact CB-CH2 4.14Å; D333-W360 HydrophobicContact CB-CZ3 3.74Å; D333-W360 WeakPolarHBondContact O-CH2 3.43Å; D333-W360 WeakPolarHBondContact O-CZ2 3.14Å; I334-W360 HydrophobicContact CD1-CB 3.78Å; I334-W360 HydrophobicContact CD1-CD2 4.49Å; I334-W360 HydrophobicContact CD1-CG 3.86Å; I334-W360 HydrophobicContact CG1-CB 4.24Å; I334-W360 HydrophobicContact CG1-CD2 3.98Å; I334-W360 HydrophobicContact CG1-CE3 4.5Å; I334-W360 HydrophobicContact CG1-CG 3.83Å; Y351-W360 CarbonylContact C-O 3.41Å; Y351-W360 WeakPolarHBondContact CA-O 3.4Å; L352-W360 HydrophobicContact CB-CB 4.4Å; L352-W360 PolarHBondContact N-O 2.98Å; L352-W360 PolarHBondContact O-N 3.22Å; W360-T370 CarbonylContact C-O 3.6Å; W360-T370 WeakPolarHBondContact CA-O 3.35Å; W360-A371 HydrophobicContact CD2-CB 4.11Å; W360-A371 HydrophobicContact CE3-CB 3.88Å; W360-A371 HydrophobicContact CH2-CB 3.93Å; W360-A371 HydrophobicContact CZ2-CB 4.13Å; W360-A371 HydrophobicContact CZ3-CB 3.8Å
361	V	93.9	Very high	88.1	Confident	31 Å²	31	57 Å²	57	19%	0.188	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.3	173.4	-170.1	0	0	0	0	109	M349 A350 Y351 Y359 G369 T370	M349-V361 HydrophobicContact CB-CG1 3.93Å; M349-V361 HydrophobicContact CG-CG1 4.18Å; M349-V361 HydrophobicContact SD-CG1 4.36Å; A350-V361 CarbonylContact O-C 3.59Å; A350-V361 WeakPolarHBondContact O-CA 3.36Å; Y351-V361 HydrophobicContact CD1-CG2 3.81Å; Y351-V361 HydrophobicContact CE1-CG1 4.43Å; Y351-V361 HydrophobicContact CE1-CG2 3.68Å; Y359-V361 HydrophobicContact CD2-CG2 4.01Å; Y359-V361 HydrophobicContact CE2-CG2 3.52Å; V361-G369 WeakPolarHBondContact O-CA 3.33Å; V361-T370 PolarHBondContact N-O 2.88Å; V361-T370 PolarHBondContact O-N 2.92Å
362	V	92.3	Very high	87.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127	-175.4	-178	0	0	0	0	109.5	L331 I334 A350 L352 Q364	L331-V362 HydrophobicContact CD2-CB 4.45Å; L331-V362 HydrophobicContact CD2-CG1 3.75Å; L331-V362 HydrophobicContact CD2-CG2 4.02Å; I334-V362 HydrophobicContact CD1-CG2 4.46Å; A350-V362 PolarHBondContact N-O 3.21Å; A350-V362 PolarHBondContact O-N 3.39Å; L352-V362 HydrophobicContact CD1-CG2 3.88Å; V362-Q364 WeakPolarHBondContact CG1-O 3.27Å
363	Q	88	Confident	87.7	Confident	112 Å²	112	59.3 Å²	59.3	52%	0.523	32%	0.315	S	S	.	.	S	Bend	trans	-83.8	-40.7	176.3	-167.7	176.2	19.4	0	0	112	M349	M349-Q363 HydrophobicContact CE-CB 4.17Å; M349-Q363 HydrophobicContact CE-CG 3.92Å; M349-Q363 HydrophobicContact SD-CB 3.6Å; M349-Q363 VanDerWaalsContact SD-CB 3.6Å; M349-Q363 HydrophobicContact SD-CG 3.78Å
364	Q	86.2	Confident	87.5	Confident	79 Å²	79	59.4 Å²	59.4	37%	0.369	32%	0.316	S	S	.	.	S	Bend	trans	-148.5	158.3	-179	65.2	-175.8	-3.2	0	0	112.1	Q294 V362 T367	Q294-Q364 HydrophobicContact CG-CB 4.45Å; V362-Q364 WeakPolarHBondContact CG1-O 3.27Å; Q364-T367 HydrophobicContact CG-CG2 3.27Å; Q364-T367 WeakPolarHBondContact CG-OG1 3.41Å; Q364-T367 PolarHBondContact N-OG1 3.14Å; Q364-T367 PolarHBondContact O-N 2.98Å; Q364-T367 PolarHBondContact O-OG1 2.73Å
365	L	83.4	Confident	87.4	Confident	27 Å²	27	62.7 Å²	62.7	14%	0.141	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	143.5	171	-61.9	178.7	0	0	0	109.5	I293 V298 M311 Y330 L331 T367	I293-L365 HydrophobicContact CD1-CD2 4.03Å; I293-L365 HydrophobicContact CG2-CG 4.37Å; V298-L365 HydrophobicContact CG2-CD1 4.25Å; M311-L365 HydrophobicContact CG-CD1 3.96Å; M311-L365 HydrophobicContact SD-CD1 3.43Å; M311-L365 WeakPolarHBondContact SD-CD1 3.26Å; Y330-L365 HydrophobicContact CD1-CB 4.36Å; Y330-L365 HydrophobicContact CD1-CD1 4.37Å; L331-L365 HydrophobicContact CD2-CD2 4.23Å; L331-L365 HydrophobicContact CG-CD2 4.4Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 PolarHBondContact O-N 2.93Å
366	K	83.6	Confident	87.9	Confident	145 Å²	145	65.6 Å²	65.6	63%	0.63	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	5.7	-176.9	-52.7	176.7	177.4	-178.3	0	115.6	Y330	Y330-K366 HydrophobicContact CD1-CG 4.21Å; Y330-K366 VanDerWaalsContact O-CA 3.29Å; Y330-K366 WeakPolarHBondContact O-CA 3.41Å; Y330-K366 PolarHBondContact O-N 3.44Å
367	T	82.6	Confident	88.8	Confident	40 Å²	40	63.5 Å²	63.5	25%	0.245	32%	0.322	C	S	.	.	S	Bend	trans	-94.1	160.8	166.4	47.4	0	0	0	0	112.7	Q364 L365	Q364-T367 HydrophobicContact CG-CG2 3.27Å; Q364-T367 WeakPolarHBondContact CG-OG1 3.41Å; Q364-T367 PolarHBondContact N-OG1 3.14Å; Q364-T367 PolarHBondContact O-N 2.98Å; Q364-T367 PolarHBondContact O-OG1 2.73Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 PolarHBondContact O-N 2.93Å
368	R	82.3	Confident	89.1	Confident	215 Å²	215	63.3 Å²	63.3	81%	0.811	33%	0.334	S	S	*	.			trans	-68.3	143.2	171.4	-68.9	-170.5	178.6	-179.2	-0.7	111.6	D333	D333-R368 WeakPolarHBondContact OD2-CA 3.43Å; D333-R368 WeakPolarHBondContact OD2-CB 3.42Å; D333-R368 WeakPolarHBondContact OD2-CG 3.26Å
369	G	84.3	Confident	89.2	Confident	16 Å²	16	58.8 Å²	58.8	17%	0.165	31%	0.314	C	S	.	.			trans	-105.3	156.7	178.2	0	0	0	0	0	112.4	D333 V361	D333-G369 PolarHBondContact OD2-N 2.91Å; V361-G369 WeakPolarHBondContact O-CA 3.33Å
370	T	90.3	Very high	88.9	Confident	102 Å²	102	60.2 Å²	60.2	63%	0.626	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.8	173.6	-55.2	0	0	0	0	109.7	W360 V361	W360-T370 CarbonylContact C-O 3.6Å; W360-T370 WeakPolarHBondContact CA-O 3.35Å; V361-T370 PolarHBondContact N-O 2.88Å; V361-T370 PolarHBondContact O-N 2.92Å
371	A	91.8	Very high	88.5	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	145	177.9	0	0	0	0	0	112	Y359 W360	Y359-A371 CarbonylContact O-C 3.55Å; Y359-A371 WeakPolarHBondContact O-CA 3.37Å; W360-A371 HydrophobicContact CD2-CB 4.11Å; W360-A371 HydrophobicContact CE3-CB 3.88Å; W360-A371 HydrophobicContact CH2-CB 3.93Å; W360-A371 HydrophobicContact CZ2-CB 4.13Å; W360-A371 HydrophobicContact CZ3-CB 3.8Å
372	G	91.2	Very high	88.1	Confident	14 Å²	14	67 Å²	67	14%	0.144	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	177.9	170.3	0	0	0	0	0	111.7	K358 Y359	K358-G372 WeakPolarHBondContact CA-O 3.46Å; Y359-G372 VanDerWaalsContact CD1-C 3.42Å; Y359-G372 WeakPolarHBondContact CD1-O 3.48Å; Y359-G372 PolarHBondContact N-O 2.71Å; Y359-G372 PolarHBondContact O-N 2.74Å
373	N	91.9	Very high	87.9	Confident	63 Å²	63	67.3 Å²	67.3	34%	0.337	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.1	179	-164	-57.7	0	0	0	111.9	H357 Y359 S375 E376	H357-N373 WeakPolarHBondContact O-CA 3.4Å; H357-N373 PolarHBondContact O-OD1 3.21Å; Y359-N373 WeakPolarHBondContact CE1-O 3.43Å; N373-S375 PolarHBondContact O-N 3.4Å; N373-S375 VanDerWaalsContact O-N 3.08Å; N373-S375 WeakPolarHBondContact OD1-CB 3.47Å; N373-S375 PolarHBondContact OD1-N 2.89Å; N373-S375 PolarHBondContact OD1-OG 3.5Å; N373-E376 PolarHBondContact N-OE1 3.41Å; N373-E376 VanDerWaalsContact O-CB 3.28Å; N373-E376 WeakPolarHBondContact O-CB 3.29Å; N373-E376 VanDerWaalsContact O-CG 3.26Å; N373-E376 WeakPolarHBondContact O-CG 3.24Å; N373-E376 PolarHBondContact O-N 3.04Å
374	I	91.2	Very high	87.8	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-61.4	-21.6	179.7	69.4	173.5	0	0	0	113.2	F353 H357 E376 F377 F379	F353-I374 HydrophobicContact CD1-CG2 3.55Å; F353-I374 HydrophobicContact CE1-CG2 3.77Å; H357-I374 HydrophobicContact CB-CD1 4.16Å; H357-I374 HydrophobicContact CB-CG1 3.92Å; H357-I374 PolarHBondContact O-N 3.26Å; I374-E376 PolarHBondContact O-N 2.92Å; I374-E376 VanDerWaalsContact O-N 3.15Å; I374-F377 PolarHBondContact O-N 2.99Å; I374-F379 HydrophobicContact CB-CD2 4.19Å; I374-F379 HydrophobicContact CB-CE2 4.49Å; I374-F379 WeakPolarHBondContact O-CD2 3.45Å
375	S	88.1	Confident	87.9	Confident	76 Å²	76	72.9 Å²	72.9	53%	0.531	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.8	174.5	59.3	0	0	0	0	113.2	N373 F377 G378	N373-S375 PolarHBondContact O-N 3.4Å; N373-S375 VanDerWaalsContact O-N 3.08Å; N373-S375 WeakPolarHBondContact OD1-CB 3.47Å; N373-S375 PolarHBondContact OD1-N 2.89Å; N373-S375 PolarHBondContact OD1-OG 3.5Å; S375-F377 PolarHBondContact O-N 3.1Å; S375-G378 PolarHBondContact O-N 2.78Å
376	E	90.9	Very high	88.4	Confident	105 Å²	105	71.7 Å²	71.7	49%	0.491	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.6	175.8	-64.7	165.6	-149	0	0	112.7	Y359 N373 I374 G378	Y359-E376 WeakPolarHBondContact CE1-OE2 3.32Å; Y359-E376 PolarHBondContact OH-OE2 3.21Å; N373-E376 PolarHBondContact N-OE1 3.41Å; N373-E376 VanDerWaalsContact O-CB 3.28Å; N373-E376 WeakPolarHBondContact O-CB 3.29Å; N373-E376 VanDerWaalsContact O-CG 3.26Å; N373-E376 WeakPolarHBondContact O-CG 3.24Å; N373-E376 PolarHBondContact O-N 3.04Å; I374-E376 PolarHBondContact O-N 2.92Å; I374-E376 VanDerWaalsContact O-N 3.15Å; E376-G378 VanDerWaalsContact C-N 3.26Å; E376-G378 PolarHBondContact O-N 3.14Å
377	F	91.4	Very high	88.9	Confident	9 Å²	9	66 Å²	66	4%	0.039	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-80.6	-5.3	175.2	-65.8	-82.5	0	0	0	112.9	Y351 F353 Y359 I374 S375 F379 F400 Y409 M416	Y351-F377 HydrophobicContact CD1-CZ 4.28Å; F353-F377 HydrophobicContact CE1-CD2 4.18Å; F353-F377 AromaticContact CE1-CE2 3.88Å; F353-F377 HydrophobicContact CE1-CE2 3.88Å; F353-F377 HydrophobicContact CZ-CD2 4.4Å; F353-F377 AromaticContact CZ-CE2 3.91Å; F353-F377 HydrophobicContact CZ-CE2 3.91Å; F353-F377 HydrophobicContact CZ-CZ 4.14Å; Y359-F377 AromaticContact CD1-CE2 3.75Å; Y359-F377 HydrophobicContact CD1-CE2 3.75Å; Y359-F377 HydrophobicContact CD2-CE2 4.47Å; Y359-F377 HydrophobicContact CE1-CD2 4.49Å; Y359-F377 AromaticContact CE1-CE2 3.72Å; Y359-F377 HydrophobicContact CE1-CE2 3.72Å; Y359-F377 HydrophobicContact CE1-CZ 4.48Å; Y359-F377 HydrophobicContact CE2-CE2 4.43Å; Y359-F377 HydrophobicContact CG-CE2 4.14Å; I374-F377 PolarHBondContact O-N 2.99Å; S375-F377 PolarHBondContact O-N 3.1Å; F377-F379 HydrophobicContact CB-CD2 3.81Å; F377-F379 HydrophobicContact CB-CE2 3.6Å; F377-F379 HydrophobicContact CB-CZ 4.43Å; F377-F379 HydrophobicContact CD2-CE2 4.3Å; F377-F379 HydrophobicContact CG-CE2 4.15Å; F377-F400 HydrophobicContact CD1-CE2 4.03Å; F377-F400 AromaticContact CD1-CZ 3.84Å; F377-F400 HydrophobicContact CD1-CZ 3.84Å; F377-F400 AromaticContact CE1-CZ 3.98Å; F377-F400 HydrophobicContact CE1-CZ 3.98Å; F377-F400 HydrophobicContact CG-CE2 4.48Å; F377-F400 HydrophobicContact CG-CZ 4.38Å; F377-Y409 HydrophobicContact CB-CD2 4.39Å; F377-Y409 HydrophobicContact CB-CE2 4.18Å; F377-Y409 HydrophobicContact CD1-CD1 4.12Å; F377-Y409 HydrophobicContact CD1-CD2 4.27Å; F377-Y409 AromaticContact CD1-CE1 3.84Å; F377-Y409 HydrophobicContact CD1-CE1 3.84Å; F377-Y409 HydrophobicContact CD1-CE2 4.01Å; F377-Y409 HydrophobicContact CD1-CG 4.32Å; F377-Y409 AromaticContact CD1-CZ 3.76Å; F377-Y409 HydrophobicContact CE1-CE1 4.2Å; F377-Y409 WeakPolarHBondContact O-CD2 3.46Å; F377-Y409 WeakPolarHBondContact O-CE2 3.29Å; F377-M416 HydrophobicContact CB-CE 4.12Å; F377-M416 VanDerWaalsContact O-CE 3.28Å; F377-M416 WeakPolarHBondContact O-CE 3.25Å; F377-M416 WeakPolarHBondContact O-CG 3.19Å
378	G	90.6	Very high	89.5	Confident	50 Å²	50	64.1 Å²	64.1	52%	0.515	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	26.4	-179.4	0	0	0	0	0	114.3	S375 E376	S375-G378 PolarHBondContact O-N 2.78Å; E376-G378 VanDerWaalsContact C-N 3.26Å; E376-G378 PolarHBondContact O-N 3.14Å
379	F	90.9	Very high	90.2	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.088	32%	0.317	C	S	.	.			trans	-66.4	146.5	172.3	-69.9	-69.8	0	0	0	111.8	I374 F377 V383 V386 F400 I402 Y407 M416	I374-F379 HydrophobicContact CB-CD2 4.19Å; I374-F379 HydrophobicContact CB-CE2 4.49Å; I374-F379 WeakPolarHBondContact O-CD2 3.45Å; F377-F379 HydrophobicContact CB-CD2 3.81Å; F377-F379 HydrophobicContact CB-CE2 3.6Å; F377-F379 HydrophobicContact CB-CZ 4.43Å; F377-F379 HydrophobicContact CD2-CE2 4.3Å; F377-F379 HydrophobicContact CG-CE2 4.15Å; F379-V383 HydrophobicContact CB-CB 4.07Å; F379-V383 HydrophobicContact CB-CG1 4.26Å; F379-V383 HydrophobicContact CB-CG2 4.45Å; F379-V383 HydrophobicContact CD1-CG1 4.12Å; F379-V383 HydrophobicContact CD1-CG2 4.46Å; F379-V383 HydrophobicContact CG-CB 4.48Å; F379-V383 HydrophobicContact CG-CG1 4.17Å; F379-V386 HydrophobicContact CE2-CG2 4.26Å; F379-V386 HydrophobicContact CZ-CG2 4.07Å; F379-F400 HydrophobicContact CE1-CB 3.98Å; F379-F400 HydrophobicContact CE1-CD2 4.1Å; F379-F400 HydrophobicContact CE1-CG 4.17Å; F379-F400 HydrophobicContact CE2-CD2 4.48Å; F379-F400 HydrophobicContact CZ-CB 3.82Å; F379-F400 HydrophobicContact CZ-CD1 4.12Å; F379-F400 AromaticContact CZ-CD2 3.53Å; F379-F400 HydrophobicContact CZ-CD2 3.53Å; F379-F400 HydrophobicContact CZ-CE2 4.02Å; F379-F400 AromaticContact CZ-CG 3.56Å; F379-F400 HydrophobicContact CZ-CG 3.56Å; F379-I402 HydrophobicContact CD1-CD1 4.05Å; F379-I402 HydrophobicContact CE1-CD1 3.74Å; F379-Y407 HydrophobicContact CD1-CD1 4.43Å; F379-Y407 HydrophobicContact CD1-CG 4.39Å; F379-Y407 HydrophobicContact CE1-CD2 4.26Å; F379-Y407 HydrophobicContact CE1-CG 4.15Å; F379-M416 HydrophobicContact CD1-CE 3.62Å; F379-M416 HydrophobicContact CD2-CE 4.3Å; F379-M416 HydrophobicContact CE1-CE 3.34Å; F379-M416 HydrophobicContact CE2-CE 4.06Å; F379-M416 HydrophobicContact CG-CE 4.09Å; F379-M416 HydrophobicContact CZ-CE 3.58Å
380	P	88	Confident	90.8	Very high	55 Å²	55	53.2 Å²	53.2	36%	0.357	31%	0.31	S	S	.	.			trans	-58	149.3	167.5	-21.9	32.8	0	0	0	111.5	S382 V383 Y407	P380-S382 PolarHBondContact O-N 3.32Å; P380-V383 WeakPolarHBondContact O-CB 3.31Å; P380-V383 PolarHBondContact O-N 3.42Å; P380-Y407 HydrophobicContact CG-CE1 4.24Å
381	S	85.3	Confident	91.1	Very high	119 Å²	119	49.1 Å²	49.1	83%	0.832	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.5	179.2	55.7	0	0	0	0	114.4	V383	S381-V383 VanDerWaalsContact C-N 3.31Å
382	S	86.3	Confident	91.2	Very high	96 Å²	96	46.5 Å²	46.5	67%	0.671	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.5	173.4	56.4	0	0	0	0	113.5	P380 R384	P380-S382 PolarHBondContact O-N 3.32Å; S382-R384 PolarHBondContact O-N 2.86Å
383	V	88.5	Confident	91.1	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.055	28%	0.275	C	S	.	.			trans	-80.5	113.3	179.3	176	0	0	0	0	109.3	H357 F379 P380 S381 I402 Y407	H357-V383 PolarHBondContact CE1-O 2.9Å; H357-V383 VanDerWaalsContact CE1-O 3.27Å; F379-V383 HydrophobicContact CB-CB 4.07Å; F379-V383 HydrophobicContact CB-CG1 4.26Å; F379-V383 HydrophobicContact CB-CG2 4.45Å; F379-V383 HydrophobicContact CD1-CG1 4.12Å; F379-V383 HydrophobicContact CD1-CG2 4.46Å; F379-V383 HydrophobicContact CG-CB 4.48Å; F379-V383 HydrophobicContact CG-CG1 4.17Å; P380-V383 WeakPolarHBondContact O-CB 3.31Å; P380-V383 PolarHBondContact O-N 3.42Å; S381-V383 VanDerWaalsContact C-N 3.31Å; V383-I402 HydrophobicContact CB-CD1 4.41Å; V383-I402 HydrophobicContact CG1-CD1 3.42Å; V383-I402 VanDerWaalsContact CG1-CD1 3.42Å; V383-I402 HydrophobicContact CG1-CG1 4.39Å; V383-I402 HydrophobicContact CG2-CD1 4.07Å; V383-Y407 HydrophobicContact CG2-CE2 4.47Å
384	R	84.3	Confident	91	Very high	187 Å²	187	50 Å²	50	71%	0.706	28%	0.278	S	S	*	.			trans	-106.4	-20.1	178.8	-57.4	-165.9	174.5	-157.6	-1.9	114.2	S382	S382-R384 PolarHBondContact O-N 2.86Å
385	R	88.6	Confident	90.9	Very high	121 Å²	121	55.5 Å²	55.5	46%	0.457	30%	0.299	S	S	.	.			trans	-146.5	144.6	-173.5	-163	178.3	-152.1	-168	-6.1	109.8	D339	D339-R385 HydrophobicContact CB-CG 3.95Å; D339-R385 VanDerWaalsContact CG-NH2 3.31Å; D339-R385 IonicContact OD1-CZ 3.71Å; D339-R385 IonicContact OD1-NE 2.67Å; D339-R385 PolarHBondContact OD1-NE 3.07Å; D339-R385 IonicContact OD1-NH2 3.09Å; D339-R385 PolarHBondContact OD1-NH2 3.35Å; D339-R385 WeakPolarHBondContact OD2-CG 3.26Å; D339-R385 IonicContact OD2-CZ 2.68Å; D339-R385 IonicContact OD2-NE 2.59Å; D339-R385 PolarHBondContact OD2-NE 2.98Å; D339-R385 IonicContact OD2-NH2 3.31Å
386	V	93.7	Very high	91.1	Very high	3 Å²	3	53 Å²	53	2%	0.018	29%	0.286	C	S	.	.			trans	-107.4	128.5	169.8	-178.2	0	0	0	0	106.7	D339 A340 F353 F379 A388 F400 I402	D339-V386 CarbonylContact C-O 3.59Å; A340-V386 HydrophobicContact CB-CB 4.05Å; A340-V386 HydrophobicContact CB-CG1 3.78Å; A340-V386 WeakPolarHBondContact CB-O 3.29Å; F353-V386 HydrophobicContact CD1-CB 4.45Å; F353-V386 HydrophobicContact CD1-CG2 4.02Å; F353-V386 HydrophobicContact CE1-CG2 4.27Å; F353-V386 HydrophobicContact CG-CB 4.32Å; F353-V386 HydrophobicContact CG-CG2 4.39Å; F379-V386 HydrophobicContact CE2-CG2 4.26Å; F379-V386 HydrophobicContact CZ-CG2 4.07Å; V386-A388 WeakPolarHBondContact CG1-O 3.16Å; V386-F400 HydrophobicContact CG1-CB 4.23Å; V386-F400 HydrophobicContact CG1-CD1 4.01Å; V386-I402 HydrophobicContact CG2-CD1 4.47Å
387	D	93.9	Very high	91.3	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.139	27%	0.269	C	S	.	.	S	Bend	trans	-85.5	-34.8	-177.8	-65.5	-27.2	0	0	0	111.7	D339 F401 G403 K434 V435 D436	D339-D387 VanDerWaalsContact O-O 3.09Å; D387-F401 WeakPolarHBondContact CB-O 3.47Å; D387-F401 PolarHBondContact N-O 2.93Å; D387-G403 WeakPolarHBondContact OD2-CA 3.22Å; D387-G403 PolarHBondContact OD2-N 2.95Å; D387-K434 WeakPolarHBondContact OD2-CE 3.43Å; D387-V435 WeakPolarHBondContact CB-O 3.49Å; D387-D436 CarbonylContact O-C 3.51Å
388	A	96.8	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	155.3	173.7	0	0	0	0	0	110.7	V386 F401 V435 A438	V386-A388 WeakPolarHBondContact CG1-O 3.16Å; A388-F401 HydrophobicContact CB-CB 4.14Å; A388-F401 HydrophobicContact CB-CD2 3.94Å; A388-F401 HydrophobicContact CB-CG 4.42Å; A388-F401 PolarHBondContact N-O 3.03Å; A388-F401 PolarHBondContact O-N 3.29Å; A388-V435 HydrophobicContact CB-CB 4.22Å; A388-V435 HydrophobicContact CB-CG1 3.68Å; A388-A438 HydrophobicContact CB-CB 4.24Å
389	A	97.4	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.3	176.5	0	0	0	0	0	110.3	A340 A341 Y342 F353 M399 F400 A438	A340-A389 HydrophobicContact CB-CB 4.41Å; A341-A389 VanDerWaalsContact O-O 3.08Å; Y342-A389 HydrophobicContact CD1-CB 3.6Å; Y342-A389 HydrophobicContact CG-CB 3.99Å; F353-A389 HydrophobicContact CE2-CB 4.24Å; A389-M399 CarbonylContact C-O 3.57Å; A389-M399 VanDerWaalsContact CA-O 3.3Å; A389-M399 WeakPolarHBondContact CA-O 3.41Å; A389-F400 HydrophobicContact CB-CD1 3.65Å; A389-F400 HydrophobicContact CB-CE1 3.84Å; A389-A438 VanDerWaalsContact O-O 3.05Å
390	V	96.4	Very high	92.1	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	131	174.1	61	0	0	0	0	110.8	M399 F401 A438 K440 M445	V390-M399 HydrophobicContact CG1-CB 4.09Å; V390-M399 HydrophobicContact CG1-CG 4.46Å; V390-M399 PolarHBondContact N-O 3.07Å; V390-M399 PolarHBondContact O-N 3.18Å; V390-F401 HydrophobicContact CG1-CE2 3.88Å; V390-A438 HydrophobicContact CB-CB 3.82Å; V390-A438 HydrophobicContact CG1-CB 4.08Å; V390-K440 HydrophobicContact CG2-CB 4.14Å; V390-M445 HydrophobicContact CB-CE 4.27Å; V390-M445 HydrophobicContact CG1-CE 3.31Å; V390-M445 HydrophobicContact CG2-CE 3.97Å
391	H	95.7	Very high	92.5	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.069	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.3	175	-176	65.2	0	0	0	111.1	Y342 D343 I344 P393 K397 T398	Y342-H391 HydrophobicContact CD2-CB 3.91Å; Y342-H391 HydrophobicContact CE2-CB 4.44Å; D343-H391 VanDerWaalsContact O-CB 3.29Å; D343-H391 WeakPolarHBondContact O-CB 3.48Å; I344-H391 HydrophobicContact CG1-CB 4.37Å; H391-P393 WeakPolarHBondContact O-CD 3.33Å; H391-K397 PolarHBondContact ND1-O 3.19Å; H391-T398 PolarHBondContact ND1-OG1 3.21Å
392	V	93.2	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	91.9	178	-167.4	0	0	0	0	108.1	E394 Y395 G396 K397 M399 M445	V392-E394 VanDerWaalsContact CG1-OE2 3.31Å; V392-E394 WeakPolarHBondContact CG1-OE2 3.49Å; V392-E394 PolarHBondContact O-N 3.11Å; V392-Y395 HydrophobicContact CB-CD2 4.5Å; V392-Y395 HydrophobicContact CG1-CD2 3.63Å; V392-Y395 HydrophobicContact CG1-CE2 4.15Å; V392-Y395 PolarHBondContact O-N 3.25Å; V392-G396 PolarHBondContact O-N 3.31Å; V392-K397 PolarHBondContact N-O 3.04Å; V392-K397 PolarHBondContact O-N 3.4Å; V392-M399 HydrophobicContact CG2-CE 4.19Å; V392-M399 HydrophobicContact CG2-CG 4.47Å; V392-M445 HydrophobicContact CG2-CE 4.24Å; V392-M445 HydrophobicContact CG2-SD 3.91Å
393	P	90.4	Very high	93.2	Very high	65 Å²	65	36 Å²	36	42%	0.422	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-57.3	-34.6	-172.5	-26	32.9	0	0	0	114.1	H391 Y395 G396	H391-P393 WeakPolarHBondContact O-CD 3.33Å; P393-Y395 PolarHBondContact O-N 2.85Å; P393-Y395 VanDerWaalsContact O-N 3.11Å; P393-G396 PolarHBondContact O-N 2.79Å
394	E	89.3	Confident	93.4	Very high	87 Å²	87	38.8 Å²	38.8	41%	0.407	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-62.5	-21.9	-176.4	-58.9	87.7	158.1	0	0	113.2	V392 K440	V392-E394 VanDerWaalsContact CG1-OE2 3.31Å; V392-E394 WeakPolarHBondContact CG1-OE2 3.49Å; V392-E394 PolarHBondContact O-N 3.11Å; E394-K440 WeakPolarHBondContact OE1-CE 3.37Å; E394-K440 IonicContact OE1-NZ 2.68Å; E394-K440 PolarHBondContact OE1-NZ 3.48Å; E394-K440 IonicContact OE2-NZ 2.61Å; E394-K440 PolarHBondContact OE2-NZ 3.11Å
395	Y	88.8	Confident	94	Very high	120 Å²	120	33.6 Å²	33.6	47%	0.471	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-118.9	-1.9	179	-54.1	-71.7	0	0	0	112.7	V392 P393 K397 F458	V392-Y395 HydrophobicContact CB-CD2 4.5Å; V392-Y395 HydrophobicContact CG1-CD2 3.63Å; V392-Y395 HydrophobicContact CG1-CE2 4.15Å; V392-Y395 PolarHBondContact O-N 3.25Å; P393-Y395 PolarHBondContact O-N 2.85Å; P393-Y395 VanDerWaalsContact O-N 3.11Å; Y395-K397 WeakPolarHBondContact O-CG 3.25Å; Y395-K397 PolarHBondContact O-N 3.39Å; Y395-F458 HydrophobicContact CD2-CD1 4.07Å; Y395-F458 AromaticContact CD2-CE1 3.69Å; Y395-F458 HydrophobicContact CD2-CE1 3.69Å; Y395-F458 AromaticContact CE2-CD1 3.43Å; Y395-F458 HydrophobicContact CE2-CD1 3.43Å; Y395-F458 VanDerWaalsContact CE2-CD1 3.43Å; Y395-F458 AromaticContact CE2-CE1 3.4Å; Y395-F458 HydrophobicContact CE2-CE1 3.4Å; Y395-F458 VanDerWaalsContact CE2-CE1 3.4Å
396	G	92.2	Very high	94.3	Very high	24 Å²	24	28.4 Å²	28.4	25%	0.247	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	30	-172.9	0	0	0	0	0	113	V392 P393 E411	V392-G396 PolarHBondContact O-N 3.31Å; P393-G396 PolarHBondContact O-N 2.79Å; G396-E411 PolarHBondContact O-N 2.93Å; G396-E411 VanDerWaalsContact O-N 3.12Å
397	K	94.9	Very high	94.4	Very high	31 Å²	31	29.3 Å²	29.3	14%	0.135	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.3	-174.7	-59.5	-57.3	177.5	162.8	0	111.7	H391 V392 Y395 M399 R408 Y409 D410 D417	H391-K397 PolarHBondContact ND1-O 3.19Å; V392-K397 PolarHBondContact N-O 3.04Å; V392-K397 PolarHBondContact O-N 3.4Å; Y395-K397 WeakPolarHBondContact O-CG 3.25Å; Y395-K397 PolarHBondContact O-N 3.39Å; K397-M399 HydrophobicContact CB-CE 3.48Å; K397-M399 VanDerWaalsContact CB-CE 3.48Å; K397-M399 HydrophobicContact CG-CE 4.42Å; K397-R408 HydrophobicContact CB-CG 4.09Å; K397-R408 HydrophobicContact CD-CG 4.27Å; K397-R408 HydrophobicContact CG-CG 4.27Å; K397-Y409 CarbonylContact C-O 3.56Å; K397-Y409 VanDerWaalsContact CA-O 3.32Å; K397-Y409 WeakPolarHBondContact CA-O 3.48Å; K397-D410 HydrophobicContact CD-CB 4.3Å; K397-D410 IonicContact NZ-OD2 2.67Å; K397-D410 PolarHBondContact NZ-OD2 3.49Å; K397-D417 VanDerWaalsContact NZ-CG 3.33Å; K397-D417 IonicContact NZ-OD1 2.89Å; K397-D417 PolarHBondContact NZ-OD1 2.93Å; K397-D417 IonicContact NZ-OD2 3.19Å; K397-D417 PolarHBondContact NZ-OD2 2.81Å
398	T	96.9	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.2	171.2	-59.1	0	0	0	0	109.3	Y342 H391 F400 R408 Y409 E411	Y342-T398 HydrophobicContact CD1-CG2 4.5Å; Y342-T398 HydrophobicContact CD2-CG2 3.92Å; Y342-T398 HydrophobicContact CE1-CG2 4.35Å; Y342-T398 HydrophobicContact CE2-CG2 3.72Å; Y342-T398 HydrophobicContact CG-CG2 4.29Å; H391-T398 PolarHBondContact ND1-OG1 3.21Å; T398-F400 HydrophobicContact CG2-CD1 4.37Å; T398-F400 HydrophobicContact CG2-CE1 3.77Å; T398-F400 HydrophobicContact CG2-CE2 3.97Å; T398-F400 HydrophobicContact CG2-CZ 3.56Å; T398-R408 WeakPolarHBondContact O-CA 3.43Å; T398-Y409 PolarHBondContact N-O 3.39Å; T398-Y409 PolarHBondContact O-N 3.07Å; T398-E411 WeakPolarHBondContact CB-OE1 3.5Å; T398-E411 WeakPolarHBondContact OG1-CG 3.41Å; T398-E411 PolarHBondContact OG1-OE1 3.31Å
399	M	96.4	Very high	94.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.6	177	-49.3	-60.9	150.8	0	0	108.8	A389 V390 V392 K397 F401 Y406 Y407 R408 W428 F458	A389-M399 CarbonylContact C-O 3.57Å; A389-M399 VanDerWaalsContact CA-O 3.3Å; A389-M399 WeakPolarHBondContact CA-O 3.41Å; V390-M399 HydrophobicContact CG1-CB 4.09Å; V390-M399 HydrophobicContact CG1-CG 4.46Å; V390-M399 PolarHBondContact N-O 3.07Å; V390-M399 PolarHBondContact O-N 3.18Å; V392-M399 HydrophobicContact CG2-CE 4.19Å; V392-M399 HydrophobicContact CG2-CG 4.47Å; K397-M399 HydrophobicContact CB-CE 3.48Å; K397-M399 VanDerWaalsContact CB-CE 3.48Å; K397-M399 HydrophobicContact CG-CE 4.42Å; M399-F401 HydrophobicContact CB-CE2 4.06Å; M399-F401 HydrophobicContact CB-CZ 4.17Å; M399-Y406 HydrophobicContact SD-CD2 4.31Å; M399-Y406 HydrophobicContact SD-CE2 4.16Å; M399-Y407 WeakPolarHBondContact CA-O 3.26Å; M399-R408 HydrophobicContact CE-CG 3.71Å; M399-R408 HydrophobicContact SD-CB 3.91Å; M399-R408 HydrophobicContact SD-CG 3.57Å; M399-R408 VanDerWaalsContact SD-CG 3.57Å; M399-W428 HydrophobicContact CB-CZ2 4.49Å; M399-W428 HydrophobicContact CG-CH2 4.24Å; M399-W428 HydrophobicContact CG-CZ2 4.03Å; M399-F458 HydrophobicContact CE-CE2 4.46Å; M399-F458 HydrophobicContact CE-CZ 4.33Å
400	F	97.3	Very high	94.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.9	175.2	-62.7	-68.8	0	0	0	109.8	Y342 F353 F377 F379 V386 A389 T398 Y406 Y407 Y409 M416	Y342-F400 HydrophobicContact CD1-CE1 4.23Å; Y342-F400 AromaticContact CE1-CE1 3.83Å; Y342-F400 HydrophobicContact CE1-CE1 3.83Å; Y342-F400 HydrophobicContact CE1-CZ 4.15Å; F353-F400 HydrophobicContact CE1-CE1 4.46Å; F353-F400 HydrophobicContact CE2-CD1 4.31Å; F353-F400 AromaticContact CE2-CE1 3.65Å; F353-F400 HydrophobicContact CE2-CE1 3.65Å; F353-F400 HydrophobicContact CZ-CD1 4.2Å; F353-F400 AromaticContact CZ-CE1 3.42Å; F353-F400 HydrophobicContact CZ-CE1 3.42Å; F353-F400 VanDerWaalsContact CZ-CE1 3.42Å; F353-F400 HydrophobicContact CZ-CZ 4.01Å; F377-F400 HydrophobicContact CD1-CE2 4.03Å; F377-F400 AromaticContact CD1-CZ 3.84Å; F377-F400 HydrophobicContact CD1-CZ 3.84Å; F377-F400 AromaticContact CE1-CZ 3.98Å; F377-F400 HydrophobicContact CE1-CZ 3.98Å; F377-F400 HydrophobicContact CG-CE2 4.48Å; F377-F400 HydrophobicContact CG-CZ 4.38Å; F379-F400 HydrophobicContact CE1-CB 3.98Å; F379-F400 HydrophobicContact CE1-CD2 4.1Å; F379-F400 HydrophobicContact CE1-CG 4.17Å; F379-F400 HydrophobicContact CE2-CD2 4.48Å; F379-F400 HydrophobicContact CZ-CB 3.82Å; F379-F400 HydrophobicContact CZ-CD1 4.12Å; F379-F400 AromaticContact CZ-CD2 3.53Å; F379-F400 HydrophobicContact CZ-CD2 3.53Å; F379-F400 HydrophobicContact CZ-CE2 4.02Å; F379-F400 AromaticContact CZ-CG 3.56Å; F379-F400 HydrophobicContact CZ-CG 3.56Å; V386-F400 HydrophobicContact CG1-CB 4.23Å; V386-F400 HydrophobicContact CG1-CD1 4.01Å; A389-F400 HydrophobicContact CB-CD1 3.65Å; A389-F400 HydrophobicContact CB-CE1 3.84Å; T398-F400 HydrophobicContact CG2-CD1 4.37Å; T398-F400 HydrophobicContact CG2-CE1 3.77Å; T398-F400 HydrophobicContact CG2-CE2 3.97Å; T398-F400 HydrophobicContact CG2-CZ 3.56Å; F400-Y406 CarbonylContact O-C 3.6Å; F400-Y406 WeakPolarHBondContact O-CA 3.07Å; F400-Y407 PolarHBondContact N-O 3Å; F400-Y407 PolarHBondContact O-N 3.21Å; F400-Y409 HydrophobicContact CE2-CD1 4.49Å; F400-Y409 HydrophobicContact CE2-CG 4.05Å; F400-M416 HydrophobicContact CD2-CE 3.89Å; F400-M416 HydrophobicContact CE2-CE 4.16Å
401	F	96.4	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.1	179.9	-58.8	-86.9	0	0	0	110	D387 A388 V390 M399 Y406 I424 W428 V435 A438 L447	D387-F401 WeakPolarHBondContact CB-O 3.47Å; D387-F401 PolarHBondContact N-O 2.93Å; A388-F401 HydrophobicContact CB-CB 4.14Å; A388-F401 HydrophobicContact CB-CD2 3.94Å; A388-F401 HydrophobicContact CB-CG 4.42Å; A388-F401 PolarHBondContact N-O 3.03Å; A388-F401 PolarHBondContact O-N 3.29Å; V390-F401 HydrophobicContact CG1-CE2 3.88Å; M399-F401 HydrophobicContact CB-CE2 4.06Å; M399-F401 HydrophobicContact CB-CZ 4.17Å; F401-Y406 HydrophobicContact CE1-CG 4.39Å; F401-I424 HydrophobicContact CD1-CD1 3.75Å; F401-I424 HydrophobicContact CD1-CG1 3.98Å; F401-I424 HydrophobicContact CE1-CG1 4.43Å; F401-W428 HydrophobicContact CE1-CD2 4.4Å; F401-W428 AromaticContact CE1-CE2 3.96Å; F401-W428 HydrophobicContact CE1-CZ2 4.18Å; F401-W428 HydrophobicContact CZ-CH2 4.11Å; F401-W428 AromaticContact CZ-CZ2 3.85Å; F401-W428 HydrophobicContact CZ-CZ2 3.85Å; F401-V435 HydrophobicContact CB-CB 4.11Å; F401-V435 HydrophobicContact CD1-CB 4.2Å; F401-V435 HydrophobicContact CD1-CG2 3.88Å; F401-V435 HydrophobicContact CD2-CB 4.36Å; F401-V435 HydrophobicContact CD2-CG1 4.33Å; F401-V435 HydrophobicContact CE1-CG2 4.16Å; F401-V435 HydrophobicContact CG-CB 3.97Å; F401-V435 HydrophobicContact CG-CG1 4.43Å; F401-V435 HydrophobicContact CG-CG2 4.17Å; F401-A438 HydrophobicContact CE2-CB 4.43Å; F401-L447 HydrophobicContact CE1-CD2 4.17Å; F401-L447 HydrophobicContact CE2-CD2 4.15Å; F401-L447 HydrophobicContact CZ-CD2 3.65Å
402	I	94.6	Very high	94.2	Very high	30 Å²	30	42.1 Å²	42.1	15%	0.154	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	106.3	-177.7	-61.7	162.4	0	0	0	108.1	F379 V383 V386 Q404 F405 Y407	F379-I402 HydrophobicContact CD1-CD1 4.05Å; F379-I402 HydrophobicContact CE1-CD1 3.74Å; V383-I402 HydrophobicContact CB-CD1 4.41Å; V383-I402 HydrophobicContact CG1-CD1 3.42Å; V383-I402 VanDerWaalsContact CG1-CD1 3.42Å; V383-I402 HydrophobicContact CG1-CG1 4.39Å; V383-I402 HydrophobicContact CG2-CD1 4.07Å; V386-I402 HydrophobicContact CG2-CD1 4.47Å; I402-Q404 PolarHBondContact O-N 3.18Å; I402-F405 CarbonylContact C-O 3.59Å; I402-F405 PolarHBondContact N-O 3.33Å; I402-F405 PolarHBondContact O-N 3.36Å; I402-Y407 HydrophobicContact CB-CE2 4.36Å; I402-Y407 HydrophobicContact CD1-CD2 3.67Å; I402-Y407 HydrophobicContact CD1-CE2 3.54Å; I402-Y407 HydrophobicContact CG1-CD2 4.49Å; I402-Y407 HydrophobicContact CG1-CE2 4.43Å
403	G	91.6	Very high	94.3	Very high	33 Å²	33	49.1 Å²	49.1	34%	0.34	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-117.5	-175.5	0	0	0	0	0	111.7	D387	D387-G403 WeakPolarHBondContact OD2-CA 3.22Å; D387-G403 PolarHBondContact OD2-N 2.95Å
404	Q	93.4	Very high	94.4	Very high	68 Å²	68	49.7 Å²	49.7	32%	0.318	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	2.1	178.1	69.9	-174.7	9.4	0	0	114.5	I402 I424 R433	I402-Q404 PolarHBondContact O-N 3.18Å; Q404-I424 PolarHBondContact O-N 2.91Å; Q404-R433 WeakPolarHBondContact CA-O 3.27Å; Q404-R433 HydrophobicContact CB-CG 3.72Å
405	F	95.1	Very high	94.7	Very high	78 Å²	78	51.6 Å²	51.6	34%	0.342	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	158.7	-173.6	-60.8	-74.1	0	0	0	111	I402 P421 R422 I423	I402-F405 CarbonylContact C-O 3.59Å; I402-F405 PolarHBondContact N-O 3.33Å; I402-F405 PolarHBondContact O-N 3.36Å; F405-P421 HydrophobicContact CB-CB 3.98Å; F405-P421 HydrophobicContact CD1-CB 4.48Å; F405-P421 HydrophobicContact CG-CB 4.45Å; F405-R422 CarbonylContact C-O 3.53Å; F405-R422 VanDerWaalsContact CA-O 3.26Å; F405-R422 WeakPolarHBondContact CA-O 3.45Å; F405-I423 HydrophobicContact CD1-CG1 4.03Å; F405-I423 HydrophobicContact CE1-CG1 3.79Å
406	Y	96	Very high	95	Very high	13 Å²	13	47.3 Å²	47.3	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.2	166.5	80.2	-72.6	0	0	0	111.1	M399 F400 F401 F420 P421 R422 I424 D427 W428	M399-Y406 HydrophobicContact SD-CD2 4.31Å; M399-Y406 HydrophobicContact SD-CE2 4.16Å; F400-Y406 CarbonylContact O-C 3.6Å; F400-Y406 WeakPolarHBondContact O-CA 3.07Å; F401-Y406 HydrophobicContact CE1-CG 4.39Å; Y406-F420 HydrophobicContact CD2-CE1 4.11Å; Y406-F420 HydrophobicContact CE1-CE1 4.31Å; Y406-F420 HydrophobicContact CE2-CD1 4.29Å; Y406-F420 AromaticContact CE2-CE1 3.46Å; Y406-F420 HydrophobicContact CE2-CE1 3.46Å; Y406-F420 VanDerWaalsContact CE2-CE1 3.46Å; Y406-F420 HydrophobicContact CE2-CZ 4.3Å; Y406-F420 AromaticContact CZ-CE1 3.56Å; Y406-F420 WeakPolarHBondContact O-CD1 3.4Å; Y406-P421 VanDerWaalsContact O-CA 3.3Å; Y406-P421 WeakPolarHBondContact O-CA 3.49Å; Y406-R422 HydrophobicContact CD1-CB 4.27Å; Y406-R422 VanDerWaalsContact CD1-O 3.32Å; Y406-R422 WeakPolarHBondContact CD1-O 3.45Å; Y406-R422 HydrophobicContact CE1-CB 3.65Å; Y406-R422 PolarHBondContact N-O 2.84Å; Y406-R422 PolarHBondContact O-N 3.37Å; Y406-I424 HydrophobicContact CD1-CG1 4.24Å; Y406-D427 HydrophobicContact CE1-CB 3.91Å; Y406-D427 WeakPolarHBondContact CE1-OD2 3.5Å; Y406-D427 PolarHBondContact OH-OD2 2.96Å; Y406-W428 AromaticContact CD1-CD1 3.96Å; Y406-W428 AromaticContact CD1-NE1 3.53Å; Y406-W428 HydrophobicContact CD2-CZ2 4.32Å; Y406-W428 AromaticContact CD2-NE1 3.65Å; Y406-W428 AromaticContact CE1-CD1 3.77Å; Y406-W428 AromaticContact CE1-NE1 3.37Å; Y406-W428 HydrophobicContact CE2-CZ2 4.16Å; Y406-W428 AromaticContact CE2-NE1 3.46Å; Y406-W428 AromaticContact CG-NE1 3.68Å; Y406-W428 AromaticContact CZ-NE1 3.33Å; Y406-W428 VanDerWaalsContact CZ-NE1 3.33Å
407	Y	96.4	Very high	95.1	Very high	22 Å²	22	47 Å²	47	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.8	174	-64.1	-105.5	0	0	0	108.8	F379 P380 V383 M399 F400 I402 M416 P421	F379-Y407 HydrophobicContact CD1-CD1 4.43Å; F379-Y407 HydrophobicContact CD1-CG 4.39Å; F379-Y407 HydrophobicContact CE1-CD2 4.26Å; F379-Y407 HydrophobicContact CE1-CG 4.15Å; P380-Y407 HydrophobicContact CG-CE1 4.24Å; V383-Y407 HydrophobicContact CG2-CE2 4.47Å; M399-Y407 WeakPolarHBondContact CA-O 3.26Å; F400-Y407 PolarHBondContact N-O 3Å; F400-Y407 PolarHBondContact O-N 3.21Å; I402-Y407 HydrophobicContact CB-CE2 4.36Å; I402-Y407 HydrophobicContact CD1-CD2 3.67Å; I402-Y407 HydrophobicContact CD1-CE2 3.54Å; I402-Y407 HydrophobicContact CG1-CD2 4.49Å; I402-Y407 HydrophobicContact CG1-CE2 4.43Å; Y407-M416 HydrophobicContact CD1-SD 4.37Å; Y407-P421 HydrophobicContact CD1-CB 4.11Å; Y407-P421 HydrophobicContact CD2-CB 4.08Å; Y407-P421 HydrophobicContact CE1-CB 3.79Å; Y407-P421 HydrophobicContact CE1-CG 3.87Å; Y407-P421 HydrophobicContact CE2-CB 3.75Å; Y407-P421 HydrophobicContact CE2-CG 4.3Å; Y407-P421 HydrophobicContact CG-CB 4.25Å
408	R	96.6	Very high	95.1	Very high	81 Å²	81	51.3 Å²	51.3	31%	0.306	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.7	175.2	-174.1	169.2	75	-171.9	5.8	109.2	K397 T398 M399 D417 F420	K397-R408 HydrophobicContact CB-CG 4.09Å; K397-R408 HydrophobicContact CD-CG 4.27Å; K397-R408 HydrophobicContact CG-CG 4.27Å; T398-R408 WeakPolarHBondContact O-CA 3.43Å; M399-R408 HydrophobicContact CE-CG 3.71Å; M399-R408 HydrophobicContact SD-CB 3.91Å; M399-R408 HydrophobicContact SD-CG 3.57Å; M399-R408 VanDerWaalsContact SD-CG 3.57Å; R408-D417 HydrophobicContact CB-CB 4.49Å; R408-D417 IonicContact CZ-OD2 3.06Å; R408-D417 IonicContact NE-OD2 2.81Å; R408-D417 PolarHBondContact NE-OD2 3.22Å; R408-D417 IonicContact NH2-OD2 3.34Å; R408-D417 PolarHBondContact NH2-OD2 2.62Å; R408-D417 PolarHBondContact O-N 3.49Å; R408-F420 HydrophobicContact CB-CD1 3.93Å; R408-F420 HydrophobicContact CB-CD2 4Å; R408-F420 HydrophobicContact CB-CE1 3.68Å; R408-F420 HydrophobicContact CB-CE2 3.75Å; R408-F420 HydrophobicContact CB-CG 4.09Å; R408-F420 HydrophobicContact CB-CZ 3.58Å; R408-F420 HydrophobicContact CG-CZ 4.42Å
409	Y	97.2	Very high	94.8	Very high	14 Å²	14	54.3 Å²	54.3	6%	0.055	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	-179.5	-175.1	-103.6	0	0	0	110.2	F377 K397 T398 F400 E411 S414 M416	F377-Y409 HydrophobicContact CB-CD2 4.39Å; F377-Y409 HydrophobicContact CB-CE2 4.18Å; F377-Y409 HydrophobicContact CD1-CD1 4.12Å; F377-Y409 HydrophobicContact CD1-CD2 4.27Å; F377-Y409 AromaticContact CD1-CE1 3.84Å; F377-Y409 HydrophobicContact CD1-CE1 3.84Å; F377-Y409 HydrophobicContact CD1-CE2 4.01Å; F377-Y409 HydrophobicContact CD1-CG 4.32Å; F377-Y409 AromaticContact CD1-CZ 3.76Å; F377-Y409 HydrophobicContact CE1-CE1 4.2Å; F377-Y409 WeakPolarHBondContact O-CD2 3.46Å; F377-Y409 WeakPolarHBondContact O-CE2 3.29Å; K397-Y409 CarbonylContact C-O 3.56Å; K397-Y409 VanDerWaalsContact CA-O 3.32Å; K397-Y409 WeakPolarHBondContact CA-O 3.48Å; T398-Y409 PolarHBondContact N-O 3.39Å; T398-Y409 PolarHBondContact O-N 3.07Å; F400-Y409 HydrophobicContact CE2-CD1 4.49Å; F400-Y409 HydrophobicContact CE2-CG 4.05Å; Y409-E411 HydrophobicContact CD1-CG 4.38Å; Y409-S414 VanDerWaalsContact CE2-C 3.4Å; Y409-S414 WeakPolarHBondContact OH-CA 3.26Å; Y409-S414 WeakPolarHBondContact OH-CB 3.31Å; Y409-S414 PolarHBondContact OH-O 2.82Å; Y409-M416 HydrophobicContact CD2-CE 4.08Å; Y409-M416 HydrophobicContact CD2-CG 4.32Å; Y409-M416 HydrophobicContact CD2-SD 4.01Å
410	D	95.9	Very high	94.7	Very high	13 Å²	13	56 Å²	56	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.7	172.8	-169.5	-44.9	0	0	0	109.2	K397 Q412 K413 S414 Q415	K397-D410 HydrophobicContact CD-CB 4.3Å; K397-D410 IonicContact NZ-OD2 2.67Å; K397-D410 PolarHBondContact NZ-OD2 3.49Å; D410-Q412 PolarHBondContact O-N 2.66Å; D410-Q412 WeakPolarHBondContact OD1-CA 3.2Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.29Å; D410-Q412 PolarHBondContact OD1-N 3.01Å; D410-K413 HydrophobicContact CB-CB 4.07Å; D410-K413 HydrophobicContact CB-CG 4.48Å; D410-K413 PolarHBondContact OD1-N 2.99Å; D410-S414 VanDerWaalsContact O-CA 3.27Å; D410-S414 WeakPolarHBondContact O-CA 3.39Å; D410-S414 PolarHBondContact O-N 3.2Å; D410-Q415 WeakPolarHBondContact CB-O 3.47Å; D410-Q415 PolarHBondContact N-O 3.31Å; D410-Q415 PolarHBondContact O-N 3Å
411	E	94.2	Very high	94.6	Very high	25 Å²	25	58.6 Å²	58.6	12%	0.117	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.4	-178.7	-71.7	-72.1	159.9	0	0	113.2	I344 K347 G396 T398 Y409	I344-E411 VanDerWaalsContact CD1-CD 3.48Å; I344-E411 HydrophobicContact CD1-CG 4.32Å; I344-E411 WeakPolarHBondContact CD1-OE2 3.45Å; K347-E411 IonicContact NZ-OE2 3.69Å; K347-E411 PolarHBondContact NZ-OE2 2.79Å; G396-E411 PolarHBondContact O-N 2.93Å; G396-E411 VanDerWaalsContact O-N 3.12Å; T398-E411 WeakPolarHBondContact CB-OE1 3.5Å; T398-E411 WeakPolarHBondContact OG1-CG 3.41Å; T398-E411 PolarHBondContact OG1-OE1 3.31Å; Y409-E411 HydrophobicContact CD1-CG 4.38Å
412	Q	92.4	Very high	94.6	Very high	179 Å²	179	63.5 Å²	63.5	84%	0.836	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-41	-179.9	-173.9	-179.7	9.7	0	0	111	D410 S414	D410-Q412 PolarHBondContact O-N 2.66Å; D410-Q412 WeakPolarHBondContact OD1-CA 3.2Å; D410-Q412 WeakPolarHBondContact OD1-CB 3.29Å; D410-Q412 PolarHBondContact OD1-N 3.01Å; Q412-S414 VanDerWaalsContact C-N 3.33Å
413	K	93.8	Very high	94.6	Very high	146 Å²	146	65.6 Å²	65.6	64%	0.635	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.4	176.7	-61.2	-178.9	-176.4	177.6	0	113.1	D410 Q415	D410-K413 HydrophobicContact CB-CB 4.07Å; D410-K413 HydrophobicContact CB-CG 4.48Å; D410-K413 PolarHBondContact OD1-N 2.99Å; K413-Q415 HydrophobicContact CB-CB 4.41Å; K413-Q415 PolarHBondContact O-N 2.95Å
414	S	93.3	Very high	94.7	Very high	77 Å²	77	64 Å²	64	54%	0.538	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.3	-172.6	-58.8	0	0	0	0	113	Y409 D410 Q412	Y409-S414 VanDerWaalsContact CE2-C 3.4Å; Y409-S414 WeakPolarHBondContact OH-CA 3.26Å; Y409-S414 WeakPolarHBondContact OH-CB 3.31Å; Y409-S414 PolarHBondContact OH-O 2.82Å; D410-S414 VanDerWaalsContact O-CA 3.27Å; D410-S414 WeakPolarHBondContact O-CA 3.39Å; D410-S414 PolarHBondContact O-N 3.2Å; Q412-S414 VanDerWaalsContact C-N 3.33Å
415	Q	94.6	Very high	94.7	Very high	128 Å²	128	66.1 Å²	66.1	60%	0.598	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.4	-173.8	-165.7	177.7	28.8	0	0	112.3	D410 K413	D410-Q415 WeakPolarHBondContact CB-O 3.47Å; D410-Q415 PolarHBondContact N-O 3.31Å; D410-Q415 PolarHBondContact O-N 3Å; K413-Q415 HydrophobicContact CB-CB 4.41Å; K413-Q415 PolarHBondContact O-N 2.95Å
416	M	94.8	Very high	94.5	Very high	30 Å²	30	66.7 Å²	66.7	15%	0.148	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.5	168.4	-68.9	-66.3	176.4	0	0	111.2	F377 F379 F400 Y407 Y409	F377-M416 HydrophobicContact CB-CE 4.12Å; F377-M416 VanDerWaalsContact O-CE 3.28Å; F377-M416 WeakPolarHBondContact O-CE 3.25Å; F377-M416 WeakPolarHBondContact O-CG 3.19Å; F379-M416 HydrophobicContact CD1-CE 3.62Å; F379-M416 HydrophobicContact CD2-CE 4.3Å; F379-M416 HydrophobicContact CE1-CE 3.34Å; F379-M416 HydrophobicContact CE2-CE 4.06Å; F379-M416 HydrophobicContact CG-CE 4.09Å; F379-M416 HydrophobicContact CZ-CE 3.58Å; F400-M416 HydrophobicContact CD2-CE 3.89Å; F400-M416 HydrophobicContact CE2-CE 4.16Å; Y407-M416 HydrophobicContact CD1-SD 4.37Å; Y409-M416 HydrophobicContact CD2-CE 4.08Å; Y409-M416 HydrophobicContact CD2-CG 4.32Å; Y409-M416 HydrophobicContact CD2-SD 4.01Å
417	D	95.2	Very high	94.3	Very high	18 Å²	18	67.7 Å²	67.7	10%	0.096	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66.2	143.6	175	-85.4	-14.9	0	0	0	110.7	K397 R408 F420	K397-D417 VanDerWaalsContact NZ-CG 3.33Å; K397-D417 IonicContact NZ-OD1 2.89Å; K397-D417 PolarHBondContact NZ-OD1 2.93Å; K397-D417 IonicContact NZ-OD2 3.19Å; K397-D417 PolarHBondContact NZ-OD2 2.81Å; R408-D417 HydrophobicContact CB-CB 4.49Å; R408-D417 IonicContact CZ-OD2 3.06Å; R408-D417 IonicContact NE-OD2 2.81Å; R408-D417 PolarHBondContact NE-OD2 3.22Å; R408-D417 IonicContact NH2-OD2 3.34Å; R408-D417 PolarHBondContact NH2-OD2 2.62Å; R408-D417 PolarHBondContact O-N 3.49Å; D417-F420 HydrophobicContact CB-CD2 3.83Å; D417-F420 HydrophobicContact CB-CE2 4.01Å; D417-F420 WeakPolarHBondContact O-CD2 3.41Å
418	P	94.2	Very high	94	Very high	120 Å²	120	66.9 Å²	66.9	78%	0.779	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	148	175.2	27.5	-34.3	0	0	0	111.2
419	G	92.4	Very high	93.7	Very high	64 Å²	64	72 Å²	72	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	11	-179	0	0	0	0	0	114.9	R422	G419-R422 WeakPolarHBondContact O-CG 3.43Å
420	F	93.9	Very high	93.3	Very high	36 Å²	36	74.1 Å²	74.1	16%	0.158	40%	0.397	C	S	.	.			trans	-109.7	149.8	172.4	-72.7	-89.8	0	0	0	111.2	Y406 R408 D417 R422	Y406-F420 HydrophobicContact CD2-CE1 4.11Å; Y406-F420 HydrophobicContact CE1-CE1 4.31Å; Y406-F420 HydrophobicContact CE2-CD1 4.29Å; Y406-F420 AromaticContact CE2-CE1 3.46Å; Y406-F420 HydrophobicContact CE2-CE1 3.46Å; Y406-F420 VanDerWaalsContact CE2-CE1 3.46Å; Y406-F420 HydrophobicContact CE2-CZ 4.3Å; Y406-F420 AromaticContact CZ-CE1 3.56Å; Y406-F420 WeakPolarHBondContact O-CD1 3.4Å; R408-F420 HydrophobicContact CB-CD1 3.93Å; R408-F420 HydrophobicContact CB-CD2 4Å; R408-F420 HydrophobicContact CB-CE1 3.68Å; R408-F420 HydrophobicContact CB-CE2 3.75Å; R408-F420 HydrophobicContact CB-CG 4.09Å; R408-F420 HydrophobicContact CB-CZ 3.58Å; R408-F420 HydrophobicContact CG-CZ 4.42Å; D417-F420 HydrophobicContact CB-CD2 3.83Å; D417-F420 HydrophobicContact CB-CE2 4.01Å; D417-F420 WeakPolarHBondContact O-CD2 3.41Å; F420-R422 HydrophobicContact CD1-CB 4.26Å; F420-R422 HydrophobicContact CD1-CG 3.86Å; F420-R422 HydrophobicContact CE1-CB 4.22Å; F420-R422 HydrophobicContact CE1-CG 3.88Å; F420-R422 HydrophobicContact CG-CG 4.4Å; F420-R422 HydrophobicContact CZ-CG 4.44Å
421	P	94.9	Very high	93.2	Very high	55 Å²	55	73.9 Å²	73.9	36%	0.357	40%	0.396	S	S	.	.	S	Bend	cis	-76.1	154.8	8.5	29.3	-33.8	0	0	0	114.8	F405 Y406 Y407	F405-P421 HydrophobicContact CB-CB 3.98Å; F405-P421 HydrophobicContact CD1-CB 4.48Å; F405-P421 HydrophobicContact CG-CB 4.45Å; Y406-P421 VanDerWaalsContact O-CA 3.3Å; Y406-P421 WeakPolarHBondContact O-CA 3.49Å; Y407-P421 HydrophobicContact CD1-CB 4.11Å; Y407-P421 HydrophobicContact CD2-CB 4.08Å; Y407-P421 HydrophobicContact CE1-CB 3.79Å; Y407-P421 HydrophobicContact CE1-CG 3.87Å; Y407-P421 HydrophobicContact CE2-CB 3.75Å; Y407-P421 HydrophobicContact CE2-CG 4.3Å; Y407-P421 HydrophobicContact CG-CB 4.25Å
422	R	95.5	Very high	93	Very high	103 Å²	103	74.4 Å²	74.4	39%	0.389	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	161.1	172.5	-60.5	-177.1	77.8	-138.5	-6.7	110.7	F405 Y406 G419 F420 D427	F405-R422 CarbonylContact C-O 3.53Å; F405-R422 VanDerWaalsContact CA-O 3.26Å; F405-R422 WeakPolarHBondContact CA-O 3.45Å; Y406-R422 HydrophobicContact CD1-CB 4.27Å; Y406-R422 VanDerWaalsContact CD1-O 3.32Å; Y406-R422 WeakPolarHBondContact CD1-O 3.45Å; Y406-R422 HydrophobicContact CE1-CB 3.65Å; Y406-R422 PolarHBondContact N-O 2.84Å; Y406-R422 PolarHBondContact O-N 3.37Å; G419-R422 WeakPolarHBondContact O-CG 3.43Å; F420-R422 HydrophobicContact CD1-CB 4.26Å; F420-R422 HydrophobicContact CD1-CG 3.86Å; F420-R422 HydrophobicContact CE1-CB 4.22Å; F420-R422 HydrophobicContact CE1-CG 3.88Å; F420-R422 HydrophobicContact CG-CG 4.4Å; F420-R422 HydrophobicContact CZ-CG 4.44Å; R422-D427 VanDerWaalsContact CB-OD2 3.32Å; R422-D427 WeakPolarHBondContact CB-OD2 3.41Å; R422-D427 IonicContact CZ-OD1 2.81Å; R422-D427 IonicContact CZ-OD2 3.93Å; R422-D427 IonicContact NE-OD2 3.41Å; R422-D427 PolarHBondContact NE-OD2 3.28Å; R422-D427 IonicContact NH1-OD1 3.08Å; R422-D427 PolarHBondContact NH1-OD1 2.76Å; R422-D427 IonicContact NH1-OD2 2.8Å; R422-D427 PolarHBondContact NH1-OD2 2.94Å; R422-D427 IonicContact NH2-OD1 3.36Å; R422-D427 PolarHBondContact NH2-OD1 2.95Å; R422-D427 IonicContact NH2-OD2 2.79Å; R422-D427 PolarHBondContact NH2-OD2 3.2Å
423	I	95.1	Very high	92.9	Very high	74 Å²	74	73.3 Å²	73.3	38%	0.379	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.3	-177.3	-62.7	172.1	0	0	0	109.8	F405 Q425 T426 D427	F405-I423 HydrophobicContact CD1-CG1 4.03Å; F405-I423 HydrophobicContact CE1-CG1 3.79Å; I423-Q425 HydrophobicContact CG2-CB 4.32Å; I423-Q425 PolarHBondContact O-N 3.42Å; I423-T426 PolarHBondContact O-N 3.49Å; I423-D427 PolarHBondContact O-N 3.38Å
424	I	94.5	Very high	92.8	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58	-51.2	-177.8	-64.7	167.5	0	0	0	110.6	F401 Q404 Y406 T426 D427 W428 I431	F401-I424 HydrophobicContact CD1-CD1 3.75Å; F401-I424 HydrophobicContact CD1-CG1 3.98Å; F401-I424 HydrophobicContact CE1-CG1 4.43Å; Q404-I424 PolarHBondContact O-N 2.91Å; Y406-I424 HydrophobicContact CD1-CG1 4.24Å; I424-T426 PolarHBondContact O-N 2.82Å; I424-T426 VanDerWaalsContact O-N 3.12Å; I424-D427 PolarHBondContact O-N 3.05Å; I424-W428 HydrophobicContact CG2-CB 4.02Å; I424-W428 HydrophobicContact CG2-CG 4.24Å; I424-W428 WeakPolarHBondContact O-CA 3.35Å; I424-W428 VanDerWaalsContact O-CB 3.3Å; I424-W428 WeakPolarHBondContact O-CB 3.23Å; I424-W428 PolarHBondContact O-N 3.01Å; I424-I431 HydrophobicContact CG2-CB 4.44Å; I424-I431 HydrophobicContact CG2-CG2 4.04Å
425	Q	92.1	Very high	92.9	Very high	112 Å²	112	66.8 Å²	66.8	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-25.4	-176.2	-69.7	-175.1	-26.7	0	0	114.1	I423	I423-Q425 HydrophobicContact CG2-CB 4.32Å; I423-Q425 PolarHBondContact O-N 3.42Å
426	T	91.2	Very high	92.9	Very high	90 Å²	90	62.2 Å²	62.2	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-76	-42.3	178.9	-54	0	0	0	0	111.5	I423 I424	I423-T426 PolarHBondContact O-N 3.49Å; I424-T426 PolarHBondContact O-N 2.82Å; I424-T426 VanDerWaalsContact O-N 3.12Å
427	D	91.7	Very high	93	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-101	-23.9	-171	-66.4	-45.1	0	0	0	114.1	Y406 R422 I423 I424	Y406-D427 HydrophobicContact CE1-CB 3.91Å; Y406-D427 WeakPolarHBondContact CE1-OD2 3.5Å; Y406-D427 PolarHBondContact OH-OD2 2.96Å; R422-D427 VanDerWaalsContact CB-OD2 3.32Å; R422-D427 WeakPolarHBondContact CB-OD2 3.41Å; R422-D427 IonicContact CZ-OD1 2.81Å; R422-D427 IonicContact CZ-OD2 3.93Å; R422-D427 IonicContact NE-OD2 3.41Å; R422-D427 PolarHBondContact NE-OD2 3.28Å; R422-D427 IonicContact NH1-OD1 3.08Å; R422-D427 PolarHBondContact NH1-OD1 2.76Å; R422-D427 IonicContact NH1-OD2 2.8Å; R422-D427 PolarHBondContact NH1-OD2 2.94Å; R422-D427 IonicContact NH2-OD1 3.36Å; R422-D427 PolarHBondContact NH2-OD1 2.95Å; R422-D427 IonicContact NH2-OD2 2.79Å; R422-D427 PolarHBondContact NH2-OD2 3.2Å; I423-D427 PolarHBondContact O-N 3.38Å; I424-D427 PolarHBondContact O-N 3.05Å
428	W	91.3	Very high	93.1	Very high	6 Å²	6	60 Å²	60	2%	0.023	32%	0.32	C	S	.	.	S	Bend	trans	-112.1	76.2	-176.2	-60.7	81.9	0	0	0	110.5	M399 F401 Y406 I424 G430 I431 M445 L447 Y456 F458	M399-W428 HydrophobicContact CB-CZ2 4.49Å; M399-W428 HydrophobicContact CG-CH2 4.24Å; M399-W428 HydrophobicContact CG-CZ2 4.03Å; F401-W428 HydrophobicContact CE1-CD2 4.4Å; F401-W428 AromaticContact CE1-CE2 3.96Å; F401-W428 HydrophobicContact CE1-CZ2 4.18Å; F401-W428 HydrophobicContact CZ-CH2 4.11Å; F401-W428 AromaticContact CZ-CZ2 3.85Å; F401-W428 HydrophobicContact CZ-CZ2 3.85Å; Y406-W428 AromaticContact CD1-CD1 3.96Å; Y406-W428 AromaticContact CD1-NE1 3.53Å; Y406-W428 HydrophobicContact CD2-CZ2 4.32Å; Y406-W428 AromaticContact CD2-NE1 3.65Å; Y406-W428 AromaticContact CE1-CD1 3.77Å; Y406-W428 AromaticContact CE1-NE1 3.37Å; Y406-W428 HydrophobicContact CE2-CZ2 4.16Å; Y406-W428 AromaticContact CE2-NE1 3.46Å; Y406-W428 AromaticContact CG-NE1 3.68Å; Y406-W428 AromaticContact CZ-NE1 3.33Å; Y406-W428 VanDerWaalsContact CZ-NE1 3.33Å; I424-W428 HydrophobicContact CG2-CB 4.02Å; I424-W428 HydrophobicContact CG2-CG 4.24Å; I424-W428 WeakPolarHBondContact O-CA 3.35Å; I424-W428 VanDerWaalsContact O-CB 3.3Å; I424-W428 WeakPolarHBondContact O-CB 3.23Å; I424-W428 PolarHBondContact O-N 3.01Å; W428-G430 PolarHBondContact O-N 3.3Å; W428-I431 HydrophobicContact CB-CB 3.97Å; W428-I431 HydrophobicContact CB-CG1 3.93Å; W428-I431 WeakPolarHBondContact O-CB 3.35Å; W428-I431 PolarHBondContact O-N 2.85Å; W428-I431 VanDerWaalsContact O-N 3.08Å; W428-M445 HydrophobicContact CH2-CE 3.62Å; W428-M445 HydrophobicContact CH2-SD 4.29Å; W428-M445 HydrophobicContact CZ3-CE 3.75Å; W428-M445 HydrophobicContact CZ3-SD 4.27Å; W428-L447 HydrophobicContact CE3-CD2 4.26Å; W428-L447 HydrophobicContact CZ3-CD1 4.49Å; W428-L447 HydrophobicContact CZ3-CD2 4.34Å; W428-Y456 HydrophobicContact CD2-CE1 4.46Å; W428-Y456 AromaticContact CE3-CD1 3.71Å; W428-Y456 HydrophobicContact CE3-CD1 3.71Å; W428-Y456 HydrophobicContact CE3-CD2 4.45Å; W428-Y456 AromaticContact CE3-CE1 3.42Å; W428-Y456 HydrophobicContact CE3-CE1 3.42Å; W428-Y456 VanDerWaalsContact CE3-CE1 3.42Å; W428-Y456 HydrophobicContact CE3-CE2 4.24Å; W428-Y456 HydrophobicContact CE3-CG 4.2Å; W428-Y456 AromaticContact CE3-CZ 3.72Å; W428-Y456 AromaticContact CZ3-CD1 3.57Å; W428-Y456 HydrophobicContact CZ3-CD1 3.57Å; W428-Y456 AromaticContact CZ3-CE1 3.53Å; W428-Y456 HydrophobicContact CZ3-CE1 3.53Å; W428-Y456 HydrophobicContact CZ3-CG 4.35Å; W428-F458 AromaticContact CH2-CD2 3.82Å; W428-F458 HydrophobicContact CH2-CD2 3.82Å; W428-F458 AromaticContact CH2-CE2 3.75Å; W428-F458 HydrophobicContact CH2-CE2 3.75Å; W428-F458 HydrophobicContact CZ2-CE2 4.21Å; W428-F458 HydrophobicContact CZ3-CD2 4.07Å; W428-F458 HydrophobicContact CZ3-CE2 4.39Å
429	R	89.9	Confident	93.1	Very high	189 Å²	189	54.3 Å²	54.3	71%	0.713	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	124.6	-175.8	-67.8	-178.1	176.6	179.1	-1.8	111.5
430	G	88.6	Confident	93.1	Very high	57 Å²	57	52.8 Å²	52.8	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-4.2	179.2	0	0	0	0	0	114.8	W428	W428-G430 PolarHBondContact O-N 3.3Å
431	I	92.9	Very high	92.8	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.041	26%	0.257	C	S	.	.			trans	-87.8	137.7	172.8	-57.8	-58.6	0	0	0	109.6	I424 W428 V435 L447 Y454 Y456 V463	I424-I431 HydrophobicContact CG2-CB 4.44Å; I424-I431 HydrophobicContact CG2-CG2 4.04Å; W428-I431 HydrophobicContact CB-CB 3.97Å; W428-I431 HydrophobicContact CB-CG1 3.93Å; W428-I431 WeakPolarHBondContact O-CB 3.35Å; W428-I431 PolarHBondContact O-N 2.85Å; W428-I431 VanDerWaalsContact O-N 3.08Å; I431-V435 HydrophobicContact CG2-CG2 3.79Å; I431-L447 HydrophobicContact CD1-CB 4.29Å; I431-L447 HydrophobicContact CD1-CD1 4.02Å; I431-L447 HydrophobicContact CG2-CD2 4.39Å; I431-Y454 HydrophobicContact CD1-CD1 4.29Å; I431-Y454 HydrophobicContact CD1-CG 3.92Å; I431-Y456 HydrophobicContact CD1-CD2 4.09Å; I431-Y456 HydrophobicContact CG1-CD2 4.01Å; I431-Y456 HydrophobicContact CG1-CE2 4.32Å; I431-V463 HydrophobicContact CD1-CG2 3.66Å; I431-V463 HydrophobicContact CG1-CG2 4.3Å
432	P	91.1	Very high	92.2	Very high	37 Å²	37	56.8 Å²	56.8	24%	0.24	27%	0.273	C	S	.	.			trans	-61.7	175.6	176	-24	35.3	0	0	0	113.6	K434 S449 Y454	P432-K434 PolarHBondContact O-N 2.8Å; P432-K434 VanDerWaalsContact O-N 3.17Å; P432-S449 WeakPolarHBondContact CB-OG 2.86Å; P432-S449 WeakPolarHBondContact CG-OG 3.32Å; P432-Y454 HydrophobicContact CG-CE1 4.23Å; P432-Y454 HydrophobicContact CG-CE2 3.86Å; P432-Y454 VanDerWaalsContact CG-OH 3.28Å; P432-Y454 WeakPolarHBondContact CG-OH 3.4Å
433	R	89.6	Confident	91.5	Very high	155 Å²	155	54.4 Å²	54.4	59%	0.585	28%	0.281	S	S	*	.	S	Bend	trans	-61.3	-27.4	-176.7	-158.5	177.5	93.6	169.1	6.2	113.4	Q404	Q404-R433 WeakPolarHBondContact CA-O 3.27Å; Q404-R433 HydrophobicContact CB-CG 3.72Å
434	K	92.8	Very high	91.1	Very high	87 Å²	87	52.2 Å²	52.2	38%	0.378	27%	0.272	S	S	.	.			trans	-128.7	149	-177.3	-171.4	-175.3	179.9	-134.6	0	110.1	D387 P432 D436 S449	D387-K434 WeakPolarHBondContact OD2-CE 3.43Å; P432-K434 PolarHBondContact O-N 2.8Å; P432-K434 VanDerWaalsContact O-N 3.17Å; K434-D436 WeakPolarHBondContact CE-OD1 3.27Å; K434-D436 IonicContact NZ-OD1 3.85Å; K434-D436 PolarHBondContact NZ-OD1 2.88Å; K434-S449 WeakPolarHBondContact O-CB 3.42Å; K434-S449 PolarHBondContact O-OG 3.45Å
435	V	95.8	Very high	91.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.			trans	-119.8	125.1	171.1	-177.7	0	0	0	0	107.5	D387 A388 F401 I431 A437 A438 L447	D387-V435 WeakPolarHBondContact CB-O 3.49Å; A388-V435 HydrophobicContact CB-CB 4.22Å; A388-V435 HydrophobicContact CB-CG1 3.68Å; F401-V435 HydrophobicContact CB-CB 4.11Å; F401-V435 HydrophobicContact CD1-CB 4.2Å; F401-V435 HydrophobicContact CD1-CG2 3.88Å; F401-V435 HydrophobicContact CD2-CB 4.36Å; F401-V435 HydrophobicContact CD2-CG1 4.33Å; F401-V435 HydrophobicContact CE1-CG2 4.16Å; F401-V435 HydrophobicContact CG-CB 3.97Å; F401-V435 HydrophobicContact CG-CG1 4.43Å; F401-V435 HydrophobicContact CG-CG2 4.17Å; I431-V435 HydrophobicContact CG2-CG2 3.79Å; V435-A437 WeakPolarHBondContact CG1-O 3.37Å; V435-A438 HydrophobicContact CG1-CB 4.34Å; V435-L447 HydrophobicContact CG1-CB 4.05Å; V435-L447 HydrophobicContact CG1-CD2 4.11Å; V435-L447 HydrophobicContact CG2-CD2 3.91Å
436	D	94.4	Very high	91.2	Very high	31 Å²	31	47.9 Å²	47.9	17%	0.166	25%	0.251	C	S	.	.	S	Bend	trans	-96.2	-25.9	-176.5	-57.7	-54.2	0	0	0	112.4	D288 D387 K434 L448 S449 G450	D288-D436 CarbonylContact C-O 3.59Å; D387-D436 CarbonylContact O-C 3.51Å; K434-D436 WeakPolarHBondContact CE-OD1 3.27Å; K434-D436 IonicContact NZ-OD1 3.85Å; K434-D436 PolarHBondContact NZ-OD1 2.88Å; D436-L448 PolarHBondContact N-O 2.75Å; D436-S449 WeakPolarHBondContact OD2-CA 3.48Å; D436-G450 PolarHBondContact OD2-N 3.17Å
437	A	96.3	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	155.1	170.6	0	0	0	0	0	109.9	F287 A290 V435 L448	F287-A437 HydrophobicContact CB-CB 4.44Å; A290-A437 HydrophobicContact CB-CB 3.98Å; V435-A437 WeakPolarHBondContact CG1-O 3.37Å; A437-L448 HydrophobicContact CB-CB 4.13Å; A437-L448 HydrophobicContact CB-CD1 4.1Å; A437-L448 PolarHBondContact N-O 3.2Å; A437-L448 PolarHBondContact O-N 2.91Å
438	A	96.5	Very high	91.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	144.8	175.2	0	0	0	0	0	111	A388 A389 V390 F401 V435 F446	A388-A438 HydrophobicContact CB-CB 4.24Å; A389-A438 VanDerWaalsContact O-O 3.05Å; V390-A438 HydrophobicContact CB-CB 3.82Å; V390-A438 HydrophobicContact CG1-CB 4.08Å; F401-A438 HydrophobicContact CE2-CB 4.43Å; V435-A438 HydrophobicContact CG1-CB 4.34Å; A438-F446 VanDerWaalsContact CA-O 3.25Å; A438-F446 WeakPolarHBondContact CA-O 3.19Å
439	F	94.9	Very high	91.7	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.4	171.4	68.5	-83.4	0	0	0	110.1	A290 V292 I297 F299 L441 F446 L448 W472	A290-F439 HydrophobicContact CB-CB 4.37Å; A290-F439 HydrophobicContact CB-CD1 3.72Å; A290-F439 HydrophobicContact CB-CE1 4.48Å; A290-F439 HydrophobicContact CB-CG 4.4Å; V292-F439 HydrophobicContact CG2-CD2 4.07Å; I297-F439 HydrophobicContact CD1-CE2 4.14Å; I297-F439 HydrophobicContact CG2-CD1 4.45Å; I297-F439 HydrophobicContact CG2-CD2 4.02Å; I297-F439 HydrophobicContact CG2-CE1 4.27Å; I297-F439 HydrophobicContact CG2-CE2 3.83Å; I297-F439 HydrophobicContact CG2-CG 4.33Å; I297-F439 HydrophobicContact CG2-CZ 3.96Å; F299-F439 HydrophobicContact CE1-CD1 4.38Å; F299-F439 AromaticContact CE1-CE1 3.75Å; F299-F439 HydrophobicContact CE1-CE1 3.75Å; F299-F439 HydrophobicContact CE1-CZ 4.36Å; F299-F439 AromaticContact CZ-CE1 3.99Å; F299-F439 HydrophobicContact CZ-CE1 3.99Å; F299-F439 HydrophobicContact CZ-CZ 4.14Å; F439-L441 HydrophobicContact CD2-CB 4.11Å; F439-L441 HydrophobicContact CE2-CB 3.84Å; F439-L441 HydrophobicContact CE2-CD2 4.32Å; F439-F446 HydrophobicContact CD1-CB 4.09Å; F439-F446 HydrophobicContact CD2-CD2 4.37Å; F439-F446 HydrophobicContact CE1-CB 3.68Å; F439-F446 HydrophobicContact CE1-CG 4.41Å; F439-F446 HydrophobicContact CE2-CB 4.21Å; F439-F446 AromaticContact CE2-CD2 3.77Å; F439-F446 HydrophobicContact CE2-CD2 3.77Å; F439-F446 HydrophobicContact CE2-CG 4.24Å; F439-F446 HydrophobicContact CZ-CB 3.74Å; F439-F446 AromaticContact CZ-CD2 3.97Å; F439-F446 HydrophobicContact CZ-CD2 3.97Å; F439-F446 AromaticContact CZ-CG 3.97Å; F439-F446 HydrophobicContact CZ-CG 3.97Å; F439-F446 PolarHBondContact N-O 3.42Å; F439-F446 PolarHBondContact O-N 3.42Å; F439-L448 HydrophobicContact CD1-CD1 4.07Å; F439-L448 HydrophobicContact CE1-CD1 3.94Å; F439-W472 HydrophobicContact CE2-CH2 4.33Å; F439-W472 HydrophobicContact CE2-CZ3 4.43Å; F439-W472 HydrophobicContact CZ-CD2 4.12Å; F439-W472 AromaticContact CZ-CE2 3.92Å; F439-W472 HydrophobicContact CZ-CE3 4.12Å; F439-W472 AromaticContact CZ-CH2 3.8Å; F439-W472 HydrophobicContact CZ-CH2 3.8Å; F439-W472 AromaticContact CZ-CZ2 3.8Å; F439-W472 HydrophobicContact CZ-CZ2 3.8Å; F439-W472 AromaticContact CZ-CZ3 3.95Å; F439-W472 HydrophobicContact CZ-CZ3 3.95Å
440	K	91.7	Very high	91.7	Very high	32 Å²	32	35 Å²	35	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.6	177.6	-172.6	168.9	177.9	143.3	0	110	V390 E394 S444 M445	V390-K440 HydrophobicContact CG2-CB 4.14Å; E394-K440 WeakPolarHBondContact OE1-CE 3.37Å; E394-K440 IonicContact OE1-NZ 2.68Å; E394-K440 PolarHBondContact OE1-NZ 3.48Å; E394-K440 IonicContact OE2-NZ 2.61Å; E394-K440 PolarHBondContact OE2-NZ 3.11Å; K440-S444 WeakPolarHBondContact CA-O 3.48Å; K440-S444 WeakPolarHBondContact CG-O 3.35Å; K440-M445 HydrophobicContact CD-CG 4.49Å; K440-M445 HydrophobicContact CG-CG 4.49Å
441	L	87.9	Confident	91.7	Very high	24 Å²	24	34.5 Å²	34.5	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.1	178.7	-178.1	73.7	0	0	0	110.3	I297 T314 F439 G443 S444 F446 W472	I297-L441 HydrophobicContact CD1-CD2 3.7Å; T314-L441 HydrophobicContact CG2-CD1 3.73Å; F439-L441 HydrophobicContact CD2-CB 4.11Å; F439-L441 HydrophobicContact CE2-CB 3.84Å; F439-L441 HydrophobicContact CE2-CD2 4.32Å; L441-G443 PolarHBondContact O-N 3.18Å; L441-G443 VanDerWaalsContact O-N 3.16Å; L441-S444 PolarHBondContact N-O 2.82Å; L441-S444 PolarHBondContact O-N 3.04Å; L441-F446 HydrophobicContact CB-CD2 4.15Å; L441-F446 HydrophobicContact CB-CE2 3.92Å; L441-W472 HydrophobicContact CD2-CH2 4.47Å; L441-W472 HydrophobicContact CD2-CZ3 4.25Å
442	H	82.3	Confident	91.7	Very high	151 Å²	151	39.1 Å²	39.1	70%	0.699	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	42.9	178.4	-55.8	147.2	0	0	0	113.6	S444	H442-S444 PolarHBondContact O-N 3.46Å
443	G	81.5	Confident	91.9	Very high	53 Å²	53	37.4 Å²	37.4	55%	0.546	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-11.7	178.8	0	0	0	0	0	115.4	L441	L441-G443 PolarHBondContact O-N 3.18Å; L441-G443 VanDerWaalsContact O-N 3.16Å
444	S	87.3	Confident	92.2	Very high	28 Å²	28	31 Å²	31	20%	0.196	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.9	175.4	-65.4	0	0	0	0	111.6	K440 L441 H442 Q455	K440-S444 WeakPolarHBondContact CA-O 3.48Å; K440-S444 WeakPolarHBondContact CG-O 3.35Å; L441-S444 PolarHBondContact N-O 2.82Å; L441-S444 PolarHBondContact O-N 3.04Å; H442-S444 PolarHBondContact O-N 3.46Å; S444-Q455 PolarHBondContact OG-NE2 2.98Å
445	M	92.9	Very high	92.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.7	170.2	-65.4	178.1	59.9	0	0	109.3	V390 V392 W428 K440 L447 Q455 Y456 F458	V390-M445 HydrophobicContact CB-CE 4.27Å; V390-M445 HydrophobicContact CG1-CE 3.31Å; V390-M445 HydrophobicContact CG2-CE 3.97Å; V392-M445 HydrophobicContact CG2-CE 4.24Å; V392-M445 HydrophobicContact CG2-SD 3.91Å; W428-M445 HydrophobicContact CH2-CE 3.62Å; W428-M445 HydrophobicContact CH2-SD 4.29Å; W428-M445 HydrophobicContact CZ3-CE 3.75Å; W428-M445 HydrophobicContact CZ3-SD 4.27Å; K440-M445 HydrophobicContact CD-CG 4.49Å; K440-M445 HydrophobicContact CG-CG 4.49Å; M445-L447 HydrophobicContact CB-CD1 4.3Å; M445-Q455 CarbonylContact O-C 3.53Å; M445-Q455 WeakPolarHBondContact O-CA 3.46Å; M445-Y456 PolarHBondContact N-O 3.24Å; M445-Y456 PolarHBondContact O-N 3.03Å; M445-F458 HydrophobicContact SD-CB 3.93Å; M445-F458 HydrophobicContact SD-CD2 3.77Å; M445-F458 HydrophobicContact SD-CG 4.15Å
446	F	94.9	Very high	92.2	Very high	19 Å²	19	29.4 Å²	29.4	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.4	174.8	-65.8	-80.7	0	0	0	108.2	A438 F439 L441 Y454 Q455 W472	A438-F446 VanDerWaalsContact CA-O 3.25Å; A438-F446 WeakPolarHBondContact CA-O 3.19Å; F439-F446 HydrophobicContact CD1-CB 4.09Å; F439-F446 HydrophobicContact CD2-CD2 4.37Å; F439-F446 HydrophobicContact CE1-CB 3.68Å; F439-F446 HydrophobicContact CE1-CG 4.41Å; F439-F446 HydrophobicContact CE2-CB 4.21Å; F439-F446 AromaticContact CE2-CD2 3.77Å; F439-F446 HydrophobicContact CE2-CD2 3.77Å; F439-F446 HydrophobicContact CE2-CG 4.24Å; F439-F446 HydrophobicContact CZ-CB 3.74Å; F439-F446 AromaticContact CZ-CD2 3.97Å; F439-F446 HydrophobicContact CZ-CD2 3.97Å; F439-F446 AromaticContact CZ-CG 3.97Å; F439-F446 HydrophobicContact CZ-CG 3.97Å; F439-F446 PolarHBondContact N-O 3.42Å; F439-F446 PolarHBondContact O-N 3.42Å; L441-F446 HydrophobicContact CB-CD2 4.15Å; L441-F446 HydrophobicContact CB-CE2 3.92Å; F446-Y454 WeakPolarHBondContact CA-O 3.43Å; F446-Q455 HydrophobicContact CD1-CB 3.95Å; F446-Q455 HydrophobicContact CD1-CG 4.15Å; F446-Q455 HydrophobicContact CE1-CB 3.64Å; F446-Q455 HydrophobicContact CE1-CG 3.54Å; F446-Q455 HydrophobicContact CZ-CG 3.93Å; F446-W472 HydrophobicContact CB-CZ2 4.34Å; F446-W472 AromaticContact CD1-CH2 3.95Å; F446-W472 HydrophobicContact CD1-CH2 3.95Å; F446-W472 AromaticContact CD1-CZ2 3.37Å; F446-W472 HydrophobicContact CD1-CZ2 3.37Å; F446-W472 HydrophobicContact CD2-CH2 4.15Å; F446-W472 HydrophobicContact CD2-CZ2 4.23Å; F446-W472 AromaticContact CE1-CH2 3.77Å; F446-W472 HydrophobicContact CE1-CH2 3.77Å; F446-W472 AromaticContact CE1-CZ2 3.54Å; F446-W472 HydrophobicContact CE1-CZ2 3.54Å; F446-W472 HydrophobicContact CE2-CH2 4.03Å; F446-W472 HydrophobicContact CE2-CZ2 4.42Å; F446-W472 HydrophobicContact CG-CH2 4.1Å; F446-W472 AromaticContact CG-CZ2 3.71Å; F446-W472 HydrophobicContact CG-CZ2 3.71Å; F446-W472 AromaticContact CZ-CH2 3.82Å; F446-W472 HydrophobicContact CZ-CH2 3.82Å; F446-W472 HydrophobicContact CZ-CZ2 4.08Å
447	L	96.1	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.1	176	-59.6	97.6	0	0	0	108.1	F401 W428 I431 V435 M445 S453 Y454 Y456	F401-L447 HydrophobicContact CE1-CD2 4.17Å; F401-L447 HydrophobicContact CE2-CD2 4.15Å; F401-L447 HydrophobicContact CZ-CD2 3.65Å; W428-L447 HydrophobicContact CE3-CD2 4.26Å; W428-L447 HydrophobicContact CZ3-CD1 4.49Å; W428-L447 HydrophobicContact CZ3-CD2 4.34Å; I431-L447 HydrophobicContact CD1-CB 4.29Å; I431-L447 HydrophobicContact CD1-CD1 4.02Å; I431-L447 HydrophobicContact CG2-CD2 4.39Å; V435-L447 HydrophobicContact CG1-CB 4.05Å; V435-L447 HydrophobicContact CG1-CD2 4.11Å; V435-L447 HydrophobicContact CG2-CD2 3.91Å; M445-L447 HydrophobicContact CB-CD1 4.3Å; L447-S453 WeakPolarHBondContact O-CA 3.25Å; L447-Y454 PolarHBondContact N-O 2.84Å; L447-Y454 WeakPolarHBondContact O-CD2 3.38Å; L447-Y454 PolarHBondContact O-N 3.03Å; L447-Y456 HydrophobicContact CD1-CG 4.09Å
448	L	94.9	Very high	91.3	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	176.6	-64.6	90	0	0	0	108.5	F287 F299 D436 A437 F439 K452	F287-L448 HydrophobicContact CB-CD2 4.33Å; F287-L448 HydrophobicContact CD2-CD2 3.27Å; F287-L448 HydrophobicContact CE2-CD2 3.79Å; F287-L448 HydrophobicContact CG-CD2 4.08Å; F299-L448 HydrophobicContact CE1-CD2 4.43Å; D436-L448 PolarHBondContact N-O 2.75Å; A437-L448 HydrophobicContact CB-CB 4.13Å; A437-L448 HydrophobicContact CB-CD1 4.1Å; A437-L448 PolarHBondContact N-O 3.2Å; A437-L448 PolarHBondContact O-N 2.91Å; F439-L448 HydrophobicContact CD1-CD1 4.07Å; F439-L448 HydrophobicContact CE1-CD1 3.94Å; L448-K452 WeakPolarHBondContact CA-O 3.28Å
449	S	93.2	Very high	90.6	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.112	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	115.1	-180	179.7	0	0	0	0	108.6	P432 K434 D436 K452	P432-S449 WeakPolarHBondContact CB-OG 2.86Å; P432-S449 WeakPolarHBondContact CG-OG 3.32Å; K434-S449 WeakPolarHBondContact O-CB 3.42Å; K434-S449 PolarHBondContact O-OG 3.45Å; D436-S449 WeakPolarHBondContact OD2-CA 3.48Å; S449-K452 PolarHBondContact N-O 2.97Å; S449-K452 PolarHBondContact O-N 2.71Å
450	G	89.5	Confident	90.2	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-138.8	-165.6	0	0	0	0	0	111.2	L286 D436 K452	L286-G450 VanDerWaalsContact CD2-CA 3.47Å; L286-G450 VanDerWaalsContact CD2-O 3.29Å; L286-G450 WeakPolarHBondContact CD2-O 3.48Å; D436-G450 PolarHBondContact OD2-N 3.17Å; G450-K452 PolarHBondContact O-N 3.09Å
451	S	89.8	Confident	90	Very high	46 Å²	46	51.6 Å²	51.6	32%	0.322	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	14.6	179.5	59.9	0	0	0	0	114.5	P283 G469	P283-S451 WeakPolarHBondContact O-CB 3.44Å; P283-S451 PolarHBondContact O-OG 2.93Å; S451-G469 PolarHBondContact O-N 3.13Å
452	K	93	Very high	90.1	Very high	105 Å²	105	56.4 Å²	56.4	46%	0.457	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.4	-176.5	-68	-179.4	179.1	-178.7	0	111.6	L448 S449 G450 Y454 I466 I467	L448-K452 WeakPolarHBondContact CA-O 3.28Å; S449-K452 PolarHBondContact N-O 2.97Å; S449-K452 PolarHBondContact O-N 2.71Å; G450-K452 PolarHBondContact O-N 3.09Å; K452-Y454 HydrophobicContact CB-CD2 4.38Å; K452-Y454 HydrophobicContact CB-CE2 3.57Å; K452-Y454 WeakPolarHBondContact CD-OH 3.32Å; K452-I466 HydrophobicContact CB-CG2 4.27Å; K452-I466 HydrophobicContact CD-CG2 4.12Å; K452-I466 HydrophobicContact CG-CG2 4.44Å; K452-I467 WeakPolarHBondContact CA-O 3.18Å
453	S	95.3	Very high	90.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.7	170.2	-176.9	0	0	0	0	109.7	L447 I466 I467 W472	L447-S453 WeakPolarHBondContact O-CA 3.25Å; S453-I466 WeakPolarHBondContact O-CA 3.38Å; S453-I467 PolarHBondContact N-O 3.05Å; S453-I467 PolarHBondContact O-N 3.1Å; S453-W472 VanDerWaalsContact CB-NE1 3.34Å; S453-W472 PolarHBondContact OG-NE1 3.35Å
454	Y	95.6	Very high	91.1	Very high	22 Å²	22	51.4 Å²	51.4	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.9	-175.6	-58.7	-100.2	0	0	0	108.4	I431 P432 F446 L447 K452 Y456 V463 I466	I431-Y454 HydrophobicContact CD1-CD1 4.29Å; I431-Y454 HydrophobicContact CD1-CG 3.92Å; P432-Y454 HydrophobicContact CG-CE1 4.23Å; P432-Y454 HydrophobicContact CG-CE2 3.86Å; P432-Y454 VanDerWaalsContact CG-OH 3.28Å; P432-Y454 WeakPolarHBondContact CG-OH 3.4Å; F446-Y454 WeakPolarHBondContact CA-O 3.43Å; L447-Y454 PolarHBondContact N-O 2.84Å; L447-Y454 WeakPolarHBondContact O-CD2 3.38Å; L447-Y454 PolarHBondContact O-N 3.03Å; K452-Y454 HydrophobicContact CB-CD2 4.38Å; K452-Y454 HydrophobicContact CB-CE2 3.57Å; K452-Y454 WeakPolarHBondContact CD-OH 3.32Å; Y454-Y456 PolarHBondContact O-N 2.75Å; Y454-V463 HydrophobicContact CD1-CG1 4.27Å; Y454-V463 HydrophobicContact CD1-CG2 4.33Å; Y454-I466 HydrophobicContact CD1-CD1 3.91Å; Y454-I466 HydrophobicContact CD1-CG1 3.8Å; Y454-I466 HydrophobicContact CD1-CG2 4.26Å; Y454-I466 HydrophobicContact CE1-CD1 3.82Å; Y454-I466 HydrophobicContact CE1-CG1 4.14Å; Y454-I466 HydrophobicContact CE1-CG2 4.13Å
455	Q	95.1	Very high	91.4	Very high	48 Å²	48	53.9 Å²	53.9	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.4	169.7	-173	177.5	0.7	0	0	108.4	S444 M445 F446 V463 V464 N465	S444-Q455 PolarHBondContact OG-NE2 2.98Å; M445-Q455 CarbonylContact O-C 3.53Å; M445-Q455 WeakPolarHBondContact O-CA 3.46Å; F446-Q455 HydrophobicContact CD1-CB 3.95Å; F446-Q455 HydrophobicContact CD1-CG 4.15Å; F446-Q455 HydrophobicContact CE1-CB 3.64Å; F446-Q455 HydrophobicContact CE1-CG 3.54Å; F446-Q455 HydrophobicContact CZ-CG 3.93Å; Q455-V463 WeakPolarHBondContact O-CA 3.28Å; Q455-V464 PolarHBondContact O-N 3.18Å; Q455-N465 HydrophobicContact CB-CB 4.09Å; Q455-N465 PolarHBondContact N-O 2.69Å
456	Y	93.1	Very high	91.4	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.9	-177	-168.8	-97.4	0	0	0	110.9	W428 I431 M445 L447 Y454 F458 K461 R462 V463	W428-Y456 HydrophobicContact CD2-CE1 4.46Å; W428-Y456 AromaticContact CE3-CD1 3.71Å; W428-Y456 HydrophobicContact CE3-CD1 3.71Å; W428-Y456 HydrophobicContact CE3-CD2 4.45Å; W428-Y456 AromaticContact CE3-CE1 3.42Å; W428-Y456 HydrophobicContact CE3-CE1 3.42Å; W428-Y456 VanDerWaalsContact CE3-CE1 3.42Å; W428-Y456 HydrophobicContact CE3-CE2 4.24Å; W428-Y456 HydrophobicContact CE3-CG 4.2Å; W428-Y456 AromaticContact CE3-CZ 3.72Å; W428-Y456 AromaticContact CZ3-CD1 3.57Å; W428-Y456 HydrophobicContact CZ3-CD1 3.57Å; W428-Y456 AromaticContact CZ3-CE1 3.53Å; W428-Y456 HydrophobicContact CZ3-CE1 3.53Å; W428-Y456 HydrophobicContact CZ3-CG 4.35Å; I431-Y456 HydrophobicContact CD1-CD2 4.09Å; I431-Y456 HydrophobicContact CG1-CD2 4.01Å; I431-Y456 HydrophobicContact CG1-CE2 4.32Å; M445-Y456 PolarHBondContact N-O 3.24Å; M445-Y456 PolarHBondContact O-N 3.03Å; L447-Y456 HydrophobicContact CD1-CG 4.09Å; Y454-Y456 PolarHBondContact O-N 2.75Å; Y456-F458 HydrophobicContact CE1-CD2 4.34Å; Y456-K461 VanDerWaalsContact OH-C 3.31Å; Y456-K461 VanDerWaalsContact OH-CA 3.27Å; Y456-K461 WeakPolarHBondContact OH-CA 3.45Å; Y456-R462 WeakPolarHBondContact CD2-O 3.42Å; Y456-V463 HydrophobicContact CD2-CG2 4.01Å
457	D	88.1	Confident	91.2	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.4	170.2	-175.1	-34.7	0	0	0	108.7	R459 Q460 K461 R462 V464	D457-R459 VanDerWaalsContact C-N 3.3Å; D457-R459 PolarHBondContact O-N 3.08Å; D457-R459 WeakPolarHBondContact OD1-CA 3.14Å; D457-R459 WeakPolarHBondContact OD1-CB 3.31Å; D457-R459 PolarHBondContact OD1-N 2.89Å; D457-Q460 HydrophobicContact CB-CB 4.18Å; D457-Q460 PolarHBondContact O-N 2.94Å; D457-Q460 PolarHBondContact OD1-N 3.17Å; D457-K461 WeakPolarHBondContact O-CA 3.35Å; D457-K461 PolarHBondContact O-N 3.46Å; D457-R462 PolarHBondContact N-O 2.9Å; D457-R462 PolarHBondContact O-N 2.62Å; D457-V464 HydrophobicContact CB-CG2 3.6Å
458	F	83.4	Confident	91	Very high	53 Å²	53	61.7 Å²	61.7	23%	0.232	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.2	-178.4	-168	-92.4	0	0	0	113.2	Y395 M399 W428 M445 Y456	Y395-F458 HydrophobicContact CD2-CD1 4.07Å; Y395-F458 AromaticContact CD2-CE1 3.69Å; Y395-F458 HydrophobicContact CD2-CE1 3.69Å; Y395-F458 AromaticContact CE2-CD1 3.43Å; Y395-F458 HydrophobicContact CE2-CD1 3.43Å; Y395-F458 VanDerWaalsContact CE2-CD1 3.43Å; Y395-F458 AromaticContact CE2-CE1 3.4Å; Y395-F458 HydrophobicContact CE2-CE1 3.4Å; Y395-F458 VanDerWaalsContact CE2-CE1 3.4Å; M399-F458 HydrophobicContact CE-CE2 4.46Å; M399-F458 HydrophobicContact CE-CZ 4.33Å; W428-F458 AromaticContact CH2-CD2 3.82Å; W428-F458 HydrophobicContact CH2-CD2 3.82Å; W428-F458 AromaticContact CH2-CE2 3.75Å; W428-F458 HydrophobicContact CH2-CE2 3.75Å; W428-F458 HydrophobicContact CZ2-CE2 4.21Å; W428-F458 HydrophobicContact CZ3-CD2 4.07Å; W428-F458 HydrophobicContact CZ3-CE2 4.39Å; M445-F458 HydrophobicContact SD-CB 3.93Å; M445-F458 HydrophobicContact SD-CD2 3.77Å; M445-F458 HydrophobicContact SD-CG 4.15Å; Y456-F458 HydrophobicContact CE1-CD2 4.34Å
459	R	83.4	Confident	90.6	Very high	188 Å²	188	61.6 Å²	61.6	71%	0.709	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-42.5	178.9	-61.6	-177.8	-179.8	-170.9	0.9	110.6	D457	D457-R459 VanDerWaalsContact C-N 3.3Å; D457-R459 PolarHBondContact O-N 3.08Å; D457-R459 WeakPolarHBondContact OD1-CA 3.14Å; D457-R459 WeakPolarHBondContact OD1-CB 3.31Å; D457-R459 PolarHBondContact OD1-N 2.89Å
460	Q	85.4	Confident	90.4	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.7	179.8	-60.2	-174.8	6.4	0	0	113.6	D457 R462	D457-Q460 HydrophobicContact CB-CB 4.18Å; D457-Q460 PolarHBondContact O-N 2.94Å; D457-Q460 PolarHBondContact OD1-N 3.17Å; Q460-R462 VanDerWaalsContact C-N 3.33Å; Q460-R462 HydrophobicContact CB-CG 4.02Å; Q460-R462 PolarHBondContact O-N 2.72Å; Q460-R462 VanDerWaalsContact OE1-CZ 3.26Å
461	K	86.5	Confident	90.3	Very high	138 Å²	138	61.6 Å²	61.6	60%	0.6	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	45.5	-178.5	-58.7	-175	-179.9	-178.4	0	113.5	Y456 D457	Y456-K461 VanDerWaalsContact OH-C 3.31Å; Y456-K461 VanDerWaalsContact OH-CA 3.27Å; Y456-K461 WeakPolarHBondContact OH-CA 3.45Å; D457-K461 WeakPolarHBondContact O-CA 3.35Å; D457-K461 PolarHBondContact O-N 3.46Å
462	R	90	Very high	90.2	Very high	126 Å²	126	60.6 Å²	60.6	48%	0.475	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.4	179.3	69.7	-178.8	-176.7	111.1	0.1	112.3	Y456 D457 Q460	Y456-R462 WeakPolarHBondContact CD2-O 3.42Å; D457-R462 PolarHBondContact N-O 2.9Å; D457-R462 PolarHBondContact O-N 2.62Å; Q460-R462 VanDerWaalsContact C-N 3.33Å; Q460-R462 HydrophobicContact CB-CG 4.02Å; Q460-R462 PolarHBondContact O-N 2.72Å; Q460-R462 VanDerWaalsContact OE1-CZ 3.26Å
463	V	93.2	Very high	89.8	Confident	29 Å²	29	55.7 Å²	55.7	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128	165.6	178.8	0	0	0	0	109.1	I431 Y454 Q455 Y456 N465 I466	I431-V463 HydrophobicContact CD1-CG2 3.66Å; I431-V463 HydrophobicContact CG1-CG2 4.3Å; Y454-V463 HydrophobicContact CD1-CG1 4.27Å; Y454-V463 HydrophobicContact CD1-CG2 4.33Å; Q455-V463 WeakPolarHBondContact O-CA 3.28Å; Y456-V463 HydrophobicContact CD2-CG2 4.01Å; V463-N465 WeakPolarHBondContact CG1-O 3.42Å; V463-I466 HydrophobicContact CG1-CD1 4.18Å; V463-I466 HydrophobicContact CG1-CG1 3.63Å
464	V	92.8	Very high	89	Confident	70 Å²	70	58.4 Å²	58.4	42%	0.424	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-38.6	178.6	179.7	0	0	0	0	110.9	Q455 D457	Q455-V464 PolarHBondContact O-N 3.18Å; D457-V464 HydrophobicContact CB-CG2 3.6Å
465	N	92.3	Very high	88.2	Confident	80 Å²	80	60.8 Å²	60.8	43%	0.428	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.9	-177.8	-167.6	17.2	0	0	0	111	Q455 V463	Q455-N465 HydrophobicContact CB-CB 4.09Å; Q455-N465 PolarHBondContact N-O 2.69Å; V463-N465 WeakPolarHBondContact CG1-O 3.42Å
466	I	93.4	Very high	87.9	Confident	84 Å²	84	61.5 Å²	61.5	43%	0.431	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.7	176.2	-53.6	175.2	0	0	0	107.9	K452 S453 Y454 V463	K452-I466 HydrophobicContact CB-CG2 4.27Å; K452-I466 HydrophobicContact CD-CG2 4.12Å; K452-I466 HydrophobicContact CG-CG2 4.44Å; S453-I466 WeakPolarHBondContact O-CA 3.38Å; Y454-I466 HydrophobicContact CD1-CD1 3.91Å; Y454-I466 HydrophobicContact CD1-CG1 3.8Å; Y454-I466 HydrophobicContact CD1-CG2 4.26Å; Y454-I466 HydrophobicContact CE1-CD1 3.82Å; Y454-I466 HydrophobicContact CE1-CG1 4.14Å; Y454-I466 HydrophobicContact CE1-CG2 4.13Å; V463-I466 HydrophobicContact CG1-CD1 4.18Å; V463-I466 HydrophobicContact CG1-CG1 3.63Å
467	I	92	Very high	87.6	Confident	56 Å²	56	64.4 Å²	64.4	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163.4	175.7	60.4	173.2	0	0	0	110	K452 S453 W472	K452-I467 WeakPolarHBondContact CA-O 3.18Å; S453-I467 PolarHBondContact N-O 3.05Å; S453-I467 PolarHBondContact O-N 3.1Å; I467-W472 HydrophobicContact CD1-CZ2 4.07Å
468	A	90.4	Very high	87.6	Confident	45 Å²	45	65.6 Å²	65.6	37%	0.372	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.6	168.6	0	0	0	0	0	109.4	N470 S471	A468-N470 VanDerWaalsContact C-N 3.31Å; A468-N470 VanDerWaalsContact CB-OD1 3.26Å; A468-N470 WeakPolarHBondContact CB-OD1 3.44Å; A468-N470 PolarHBondContact O-N 3.01Å; A468-S471 PolarHBondContact N-OG 3.3Å; A468-S471 VanDerWaalsContact O-CB 3.27Å; A468-S471 WeakPolarHBondContact O-CB 3.12Å; A468-S471 PolarHBondContact O-N 3.25Å; A468-S471 PolarHBondContact O-OG 3.07Å
469	G	87.2	Confident	87.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59.5	-42.9	-177.9	0	0	0	0	0	111.9	F287 S451 S471 W472	F287-G469 WeakPolarHBondContact CE2-O 3.39Å; S451-G469 PolarHBondContact O-N 3.13Å; G469-S471 PolarHBondContact O-N 2.64Å; G469-S471 VanDerWaalsContact O-N 3.09Å; G469-W472 WeakPolarHBondContact O-CB 3.22Å; G469-W472 PolarHBondContact O-N 3.39Å
470	N	87.9	Confident	88.1	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.08	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-64.5	-10.7	176.6	63.5	-2.3	0	0	0	114.1	D282 F285 A468 W472 L473 C475	D282-N470 PolarHBondContact O-ND2 3.08Å; F285-N470 HydrophobicContact CB-CB 4.13Å; A468-N470 VanDerWaalsContact C-N 3.31Å; A468-N470 VanDerWaalsContact CB-OD1 3.26Å; A468-N470 WeakPolarHBondContact CB-OD1 3.44Å; A468-N470 PolarHBondContact O-N 3.01Å; N470-W472 PolarHBondContact O-N 2.82Å; N470-L473 WeakPolarHBondContact O-CA 3.45Å; N470-L473 WeakPolarHBondContact O-CB 3.49Å; N470-L473 PolarHBondContact O-N 3.02Å; N470-C475 HydrophobicContact CB-CB 4.41Å
471	S	88.4	Confident	88.3	Confident	32 Å²	32	55.5 Å²	55.5	22%	0.224	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24.7	173.4	-31.2	0	0	0	0	112.4	R312 A468 G469 L473 G474 C475	R312-S471 PolarHBondContact NH1-O 3.04Å; R312-S471 VanDerWaalsContact NH1-O 3.14Å; A468-S471 PolarHBondContact N-OG 3.3Å; A468-S471 VanDerWaalsContact O-CB 3.27Å; A468-S471 WeakPolarHBondContact O-CB 3.12Å; A468-S471 PolarHBondContact O-N 3.25Å; A468-S471 PolarHBondContact O-OG 3.07Å; G469-S471 PolarHBondContact O-N 2.64Å; G469-S471 VanDerWaalsContact O-N 3.09Å; S471-L473 PolarHBondContact O-N 2.89Å; S471-G474 PolarHBondContact O-N 2.99Å; S471-G474 VanDerWaalsContact O-N 3.1Å; S471-C475 WeakPolarHBondContact CA-OXT 3.28Å
472	W	87.1	Confident	88.4	Confident	25 Å²	25	49.6 Å²	49.6	10%	0.095	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.9	-20.5	170.7	-69.2	108.8	0	0	0	113.1	I297 F299 R312 F439 L441 F446 S453 I467 G469 N470	I297-W472 HydrophobicContact CD1-CE3 4.22Å; I297-W472 HydrophobicContact CD1-CZ3 4.03Å; F299-W472 HydrophobicContact CE1-CB 4.06Å; F299-W472 HydrophobicContact CE1-CG 4.08Å; F299-W472 HydrophobicContact CE2-CB 3.87Å; F299-W472 HydrophobicContact CE2-CG 4.48Å; F299-W472 HydrophobicContact CZ-CB 3.46Å; F299-W472 VanDerWaalsContact CZ-CB 3.46Å; F299-W472 AromaticContact CZ-CD2 3.95Å; F299-W472 HydrophobicContact CZ-CD2 3.95Å; F299-W472 HydrophobicContact CZ-CE3 4.17Å; F299-W472 AromaticContact CZ-CG 3.63Å; F299-W472 HydrophobicContact CZ-CG 3.63Å; R312-W472 WeakPolarHBondContact CD-O 3.4Å; R312-W472 VanDerWaalsContact NH1-C 3.27Å; R312-W472 PolarHBondContact NH1-O 2.92Å; F439-W472 HydrophobicContact CE2-CH2 4.33Å; F439-W472 HydrophobicContact CE2-CZ3 4.43Å; F439-W472 HydrophobicContact CZ-CD2 4.12Å; F439-W472 AromaticContact CZ-CE2 3.92Å; F439-W472 HydrophobicContact CZ-CE3 4.12Å; F439-W472 AromaticContact CZ-CH2 3.8Å; F439-W472 HydrophobicContact CZ-CH2 3.8Å; F439-W472 AromaticContact CZ-CZ2 3.8Å; F439-W472 HydrophobicContact CZ-CZ2 3.8Å; F439-W472 AromaticContact CZ-CZ3 3.95Å; F439-W472 HydrophobicContact CZ-CZ3 3.95Å; L441-W472 HydrophobicContact CD2-CH2 4.47Å; L441-W472 HydrophobicContact CD2-CZ3 4.25Å; F446-W472 HydrophobicContact CB-CZ2 4.34Å; F446-W472 AromaticContact CD1-CH2 3.95Å; F446-W472 HydrophobicContact CD1-CH2 3.95Å; F446-W472 AromaticContact CD1-CZ2 3.37Å; F446-W472 HydrophobicContact CD1-CZ2 3.37Å; F446-W472 HydrophobicContact CD2-CH2 4.15Å; F446-W472 HydrophobicContact CD2-CZ2 4.23Å; F446-W472 AromaticContact CE1-CH2 3.77Å; F446-W472 HydrophobicContact CE1-CH2 3.77Å; F446-W472 AromaticContact CE1-CZ2 3.54Å; F446-W472 HydrophobicContact CE1-CZ2 3.54Å; F446-W472 HydrophobicContact CE2-CH2 4.03Å; F446-W472 HydrophobicContact CE2-CZ2 4.42Å; F446-W472 HydrophobicContact CG-CH2 4.1Å; F446-W472 AromaticContact CG-CZ2 3.71Å; F446-W472 HydrophobicContact CG-CZ2 3.71Å; F446-W472 AromaticContact CZ-CH2 3.82Å; F446-W472 HydrophobicContact CZ-CH2 3.82Å; F446-W472 HydrophobicContact CZ-CZ2 4.08Å; S453-W472 VanDerWaalsContact CB-NE1 3.34Å; S453-W472 PolarHBondContact OG-NE1 3.35Å; I467-W472 HydrophobicContact CD1-CZ2 4.07Å; G469-W472 WeakPolarHBondContact O-CB 3.22Å; G469-W472 PolarHBondContact O-N 3.39Å; N470-W472 PolarHBondContact O-N 2.82Å
473	L	85.1	Confident	88.3	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-93.7	3.9	176.1	-50.5	-178.3	0	0	0	112.8	K280 F285 F287 F299 W310 L322 N470 S471	K280-L473 WeakPolarHBondContact CE-O 3.48Å; K280-L473 HydrophobicContact CG-CB 3.89Å; K280-L473 HydrophobicContact CG-CD1 4.05Å; K280-L473 PolarHBondContact NZ-O 3.05Å; F285-L473 HydrophobicContact CD1-CD1 4.29Å; F285-L473 HydrophobicContact CD2-CD1 4.46Å; F285-L473 HydrophobicContact CE1-CD1 3.92Å; F285-L473 HydrophobicContact CE2-CD1 4.09Å; F285-L473 HydrophobicContact CZ-CD1 3.79Å; F287-L473 HydrophobicContact CE1-CD1 4.09Å; F287-L473 HydrophobicContact CE1-CD2 4Å; F287-L473 HydrophobicContact CE1-CG 4.27Å; F287-L473 HydrophobicContact CZ-CD1 3.84Å; F287-L473 HydrophobicContact CZ-CD2 3.91Å; F287-L473 HydrophobicContact CZ-CG 3.8Å; F299-L473 HydrophobicContact CD2-CD2 4.43Å; W310-L473 HydrophobicContact CB-CD2 3.65Å; W310-L473 HydrophobicContact CD2-CD1 4.25Å; W310-L473 HydrophobicContact CD2-CD2 4.02Å; W310-L473 HydrophobicContact CE3-CD2 4.28Å; W310-L473 HydrophobicContact CG-CD1 4.46Å; W310-L473 HydrophobicContact CG-CD2 3.76Å; L322-L473 HydrophobicContact CD1-CD2 4.12Å; L322-L473 HydrophobicContact CD2-CB 4.09Å; L322-L473 HydrophobicContact CD2-CD2 4.47Å; L322-L473 WeakPolarHBondContact CD2-O 3.47Å; N470-L473 WeakPolarHBondContact O-CA 3.45Å; N470-L473 WeakPolarHBondContact O-CB 3.49Å; N470-L473 PolarHBondContact O-N 3.02Å; S471-L473 PolarHBondContact O-N 2.89Å
474	G	78.6	Confident	87.9	Confident	57 Å²	57	44.9 Å²	44.9	59%	0.588	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	26.3	-177.9	0	0	0	0	0	113.5	S471	S471-G474 PolarHBondContact O-N 2.99Å; S471-G474 VanDerWaalsContact O-N 3.1Å
475	C	79.3	Confident	87.4	Confident	72 Å²	72	42.6 Å²	42.6	49%	0.486	27%	0.274	S	S	.	.			trans	-90.2	0	151.8	-39.8	0	0	0	0	107.8	K280 C281 N470 S471	K280-C475 PolarHBondContact O-SG 3.35Å; C281-C475 WeakPolarHBondContact CA-SG 3.15Å; C281-C475 HydrophobicContact CB-CB 3.7Å; C281-C475 WeakPolarHBondContact CB-SG 3.42Å; C281-C475 WeakPolarHBondContact SG-CB 3.39Å; C281-C475 CovalentContact SG-SG 2.04Å; C281-C475 PolarHBondContact SG-SG 3.37Å; N470-C475 HydrophobicContact CB-CB 4.41Å; S471-C475 WeakPolarHBondContact CA-OXT 3.28Å

Retrieved 475 of 475 residues in 206.7 ms (Link to these results)

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