G4VD20_SCHMA Loading...

UDP-glucuronate decarboxylase

AlphaFold DB , UniProt , Accession G4VD20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 374 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.2	Low	67.6	Low	202 Å²	202	117.5 Å²	117.5	100%	0.995	62%	0.618	S	S	*	*				0	128.6	0	-78	171.1	115.3	0	0	108.6	A5	M1-A5 HydrophobicContact CB-CB 4.36Å
2	S	66.2	Low	67	Low	83 Å²	83	116 Å²	116	58%	0.58	61%	0.609	S	S	*	*			trans	-59.8	151.3	178.4	163.6	0	0	0	0	111.5	K4 A5	S2-K4 PolarHBondContact O-N 3.28Å; S2-K4 VanDerWaalsContact O-N 3.12Å; S2-K4 PolarHBondContact OG-N 2.9Å; S2-A5 WeakPolarHBondContact O-CB 3.35Å; S2-A5 PolarHBondContact O-N 2.97Å
3	S	69.8	Low	66.9	Low	92 Å²	92	112.8 Å²	112.8	64%	0.643	60%	0.597	S	S	*	*	H	α-helix	trans	-46.9	-39.9	175.1	-168.6	0	0	0	0	112.5	A5 R6 E7	S3-A5 VanDerWaalsContact C-N 3.28Å; S3-A5 PolarHBondContact O-N 3.11Å; S3-R6 PolarHBondContact O-N 3.11Å; S3-E7 PolarHBondContact O-N 3.3Å
4	K	65.6	Low	66.3	Low	158 Å²	158	109.7 Å²	109.7	69%	0.687	59%	0.585	S	S	*	*	H	α-helix	trans	-63.2	-30.4	178.3	-72.1	-172.3	174.7	-174.8	0	113.7	S2 R6 V8	S2-K4 PolarHBondContact O-N 3.28Å; S2-K4 VanDerWaalsContact O-N 3.12Å; S2-K4 PolarHBondContact OG-N 2.9Å; K4-R6 VanDerWaalsContact C-N 3.34Å; K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.15Å
5	A	66.6	Low	65.3	Low	42 Å²	42	105.3 Å²	105.3	35%	0.347	57%	0.57	S	S	.	*	H	α-helix	trans	-74.9	-25.3	179.2	0	0	0	0	0	112.5	M1 S2 S3	M1-A5 HydrophobicContact CB-CB 4.36Å; S2-A5 WeakPolarHBondContact O-CB 3.35Å; S2-A5 PolarHBondContact O-N 2.97Å; S3-A5 VanDerWaalsContact C-N 3.28Å; S3-A5 PolarHBondContact O-N 3.11Å
6	R	68.8	Low	64.2	Low	190 Å²	190	106.4 Å²	106.4	72%	0.717	58%	0.575	S	S	*	*	H	α-helix	trans	-75.7	-39.4	174.7	-75.4	-177	172.7	177.9	-2.5	111.8	S3 K4 L9 V10	S3-R6 PolarHBondContact O-N 3.11Å; K4-R6 VanDerWaalsContact C-N 3.34Å; R6-L9 PolarHBondContact O-N 3.37Å; R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 3.36Å; R6-V10 VanDerWaalsContact O-N 3.11Å
7	E	70.1	Confident	63.3	Low	121 Å²	121	106.1 Å²	106.1	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-44.6	177.5	-77.1	175.6	155.8	0	0	112.5	S3 L9 V10 I11	S3-E7 PolarHBondContact O-N 3.3Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.37Å; E7-V10 PolarHBondContact O-N 3.49Å; E7-I11 WeakPolarHBondContact O-CG1 3.36Å; E7-I11 PolarHBondContact O-N 2.91Å
8	V	72.4	Confident	62	Low	88 Å²	88	110.1 Å²	110.1	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-64	-37.4	179.6	176.5	0	0	0	0	111.7	K4 L12	K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.15Å; V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 PolarHBondContact O-N 2.96Å; V8-L12 VanDerWaalsContact O-N 3.08Å
9	L	70.9	Confident	60.8	Low	109 Å²	109	114.1 Å²	114.1	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-69.4	-39.2	178.4	-166.8	70.5	0	0	0	111.8	R6 E7 L12 V13	R6-L9 PolarHBondContact O-N 3.37Å; E7-L9 VanDerWaalsContact C-N 3.31Å; E7-L9 PolarHBondContact O-N 3.37Å; L9-L12 PolarHBondContact O-N 3.4Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.01Å
10	V	71.9	Confident	59.6	Low	94 Å²	94	113.4 Å²	113.4	57%	0.57	60%	0.596	S	S	*	*	H	α-helix	trans	-65.5	-41.1	177	173.1	0	0	0	0	111	R6 E7 V13 T14	R6-V10 WeakPolarHBondContact O-CG2 3.35Å; R6-V10 PolarHBondContact O-N 3.36Å; R6-V10 VanDerWaalsContact O-N 3.11Å; E7-V10 PolarHBondContact O-N 3.49Å; V10-V13 PolarHBondContact O-N 3.13Å; V10-T14 PolarHBondContact O-N 3.01Å; V10-T14 PolarHBondContact O-OG1 2.9Å
11	I	71.3	Confident	58.4	Low	114 Å²	114	112 Å²	112	59%	0.585	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-41.7	177.2	-66.4	167.2	0	0	0	111.2	E7 T14 A15	E7-I11 WeakPolarHBondContact O-CG1 3.36Å; E7-I11 PolarHBondContact O-N 2.91Å; I11-T14 WeakPolarHBondContact CA-OG1 3.48Å; I11-T14 PolarHBondContact O-OG1 2.84Å; I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.21Å
12	L	60.5	Low	57.7	Low	99 Å²	99	108.1 Å²	108.1	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-66.9	-39.8	177.9	-82.3	162.2	0	0	0	112.6	V8 L9 A15 L16	V8-L12 HydrophobicContact CG1-CD1 4.03Å; V8-L12 PolarHBondContact O-N 2.96Å; V8-L12 VanDerWaalsContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 3.4Å; L12-A15 PolarHBondContact O-N 3.24Å; L12-L16 PolarHBondContact O-N 2.64Å; L12-L16 VanDerWaalsContact O-N 3.08Å
13	V	65.7	Low	56.1	Low	74 Å²	74	110.2 Å²	110.2	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-70.5	-39.2	178.2	174.8	0	0	0	0	111.2	L9 V10 L16 I17	L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.27Å; L9-V13 PolarHBondContact O-N 3.01Å; V10-V13 PolarHBondContact O-N 3.13Å; V13-L16 PolarHBondContact O-N 3.14Å; V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 2.73Å
14	T	58.7	Low	54.3	Low	70 Å²	70	111.1 Å²	111.1	43%	0.429	59%	0.589	S	S	.	*	H	α-helix	trans	-67.8	-36.8	174.9	30.6	0	0	0	0	112.4	V10 I11 I17 Y18	V10-T14 PolarHBondContact O-N 3.01Å; V10-T14 PolarHBondContact O-OG1 2.9Å; I11-T14 WeakPolarHBondContact CA-OG1 3.48Å; I11-T14 PolarHBondContact O-OG1 2.84Å; T14-I17 PolarHBondContact O-N 2.81Å; T14-Y18 WeakPolarHBondContact O-CB 3.33Å; T14-Y18 PolarHBondContact O-N 2.82Å
15	A	51.5	Low	52.7	Low	44 Å²	44	110.6 Å²	110.6	36%	0.364	59%	0.594	S	S	.	*	H	α-helix	trans	-64.2	-41	174.5	0	0	0	0	0	112.2	I11 L12 Y18 F19	I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.21Å; L12-A15 PolarHBondContact O-N 3.24Å; A15-Y18 PolarHBondContact O-N 3.04Å; A15-F19 WeakPolarHBondContact O-CD2 3.37Å; A15-F19 PolarHBondContact O-N 2.99Å; A15-F19 VanDerWaalsContact O-N 3.09Å
16	L	46.6	Very low	51.2	Low	122 Å²	122	113.9 Å²	113.9	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-35.2	177.2	-81	160.3	0	0	0	112.8	L12 V13 S20	L12-L16 PolarHBondContact O-N 2.64Å; L12-L16 VanDerWaalsContact O-N 3.08Å; V13-L16 PolarHBondContact O-N 3.14Å; L16-S20 PolarHBondContact O-OG 3.26Å
17	I	49.2	Very low	49.5	Very low	102 Å²	102	110.8 Å²	110.8	52%	0.523	62%	0.616	S	S	.	*	H	α-helix	trans	-71.6	-40.2	175.1	-64.9	167.5	0	0	0	110.6	V13 T14 F19 S20 V21	V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 2.73Å; T14-I17 PolarHBondContact O-N 2.81Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 2.82Å; I17-S20 PolarHBondContact O-N 3.49Å; I17-S20 VanDerWaalsContact O-N 3.09Å; I17-V21 PolarHBondContact O-N 3.37Å
18	Y	39.4	Very low	47.8	Very low	177 Å²	177	110.9 Å²	110.9	69%	0.694	63%	0.627	S	S	*	*	H	α-helix	trans	-66.3	-31.1	178.7	-104.9	-86.4	0	0	0	113.6	T14 A15 S20	T14-Y18 WeakPolarHBondContact O-CB 3.33Å; T14-Y18 PolarHBondContact O-N 2.82Å; A15-Y18 PolarHBondContact O-N 3.04Å; Y18-S20 PolarHBondContact O-N 3.13Å
19	F	40.2	Very low	45.9	Very low	187 Å²	187	110.7 Å²	110.7	82%	0.82	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-10	174.1	-90.8	-78.8	0	0	0	114.1	A15 I17	A15-F19 WeakPolarHBondContact O-CD2 3.37Å; A15-F19 PolarHBondContact O-N 2.99Å; A15-F19 VanDerWaalsContact O-N 3.09Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 2.82Å
20	S	36	Very low	44.1	Very low	99 Å²	99	112.4 Å²	112.4	69%	0.692	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-9.4	-179.9	-49.9	0	0	0	0	113.4	L16 I17 Y18	L16-S20 PolarHBondContact O-OG 3.26Å; I17-S20 PolarHBondContact O-N 3.49Å; I17-S20 VanDerWaalsContact O-N 3.09Å; Y18-S20 PolarHBondContact O-N 3.13Å
21	V	35	Very low	42.5	Very low	85 Å²	85	114.9 Å²	114.9	52%	0.515	66%	0.655	S	S	.	*			trans	-135.1	66.2	-176.3	-166.2	0	0	0	0	109.2	I17	I17-V21 PolarHBondContact O-N 3.37Å
22	V	35.6	Very low	40.7	Very low	120 Å²	120	118.4 Å²	118.4	73%	0.727	67%	0.666	S	S	*	*			trans	-108.4	86.1	155	-179.6	0	0	0	0	105.6	C24	V22-C24 PolarHBondContact O-N 3.02Å
23	D	31.6	Very low	39.5	Very low	128 Å²	128	118 Å²	118	68%	0.684	68%	0.677	S	S	*	*			trans	-55.8	115.6	163.3	-68.9	-45	0	0	0	108.3
24	C	33.1	Very low	38	Very low	110 Å²	110	122.2 Å²	122.2	74%	0.743	70%	0.697	S	S	*	*			trans	-106.7	59.9	165.2	-140.2	0	0	0	0	108.2	V22 T26	V22-C24 PolarHBondContact O-N 3.02Å; C24-T26 PolarHBondContact O-N 3.41Å
25	D	32.6	Very low	36.9	Very low	148 Å²	148	122.2 Å²	122.2	79%	0.791	70%	0.704	S	S	*	*			trans	-79.4	72.9	161.3	-89.7	-21.2	0	0	0	108.5
26	T	34.3	Very low	36.1	Very low	110 Å²	110	127.9 Å²	127.9	68%	0.675	73%	0.727	S	S	*	*			trans	-156.3	123.5	156.6	47.9	0	0	0	0	111.1	C24	C24-T26 PolarHBondContact O-N 3.41Å
27	C	32.9	Very low	35.7	Very low	125 Å²	125	128.6 Å²	128.6	85%	0.845	74%	0.736	S	S	*	*	S	Bend	trans	96.1	139.8	155.4	-64.2	0	0	0	0	117.9
28	P	35.1	Very low	35.2	Very low	124 Å²	124	127.1 Å²	127.1	81%	0.805	74%	0.739	S	S	*	*				-105.5	159.9	-112.5	30.1	-21.3	0	0	0	113.5
29	A	32	Very low	35	Very low	83 Å²	83	125.9 Å²	125.9	69%	0.686	75%	0.745	S	S	*	*			trans	-49.1	153	169.5	0	0	0	0	0	112.9
30	D	32.6	Very low	34.9	Very low	146 Å²	146	124.9 Å²	124.9	78%	0.781	74%	0.743	S	S	*	*	S	Bend	trans	96.7	112	163.8	-52.2	-24.9	0	0	0	117
31	N	37.8	Very low	35.3	Very low	146 Å²	146	125.4 Å²	125.4	78%	0.781	74%	0.744	S	S	*	*	S	Bend	trans	102.8	30.8	154.7	-60.4	-27	0	0	0	122.1
32	F	33.4	Very low	35.9	Very low	188 Å²	188	126.3 Å²	126.3	83%	0.825	75%	0.754	S	S	*	*	S	Bend	trans	-119.9	-3	160.1	-81.8	-79.7	0	0	0	116.5	N34	F32-N34 VanDerWaalsContact C-N 3.31Å; F32-N34 PolarHBondContact O-N 3.38Å
33	A	36.1	Very low	36.7	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-13.3	-179	0	0	0	0	0	115.1
34	N	34.3	Very low	38	Very low	163 Å²	163	124.2 Å²	124.2	87%	0.872	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	8.1	-177.2	-77.6	-11.7	0	0	0	115.4	F32	F32-N34 VanDerWaalsContact C-N 3.31Å; F32-N34 PolarHBondContact O-N 3.38Å
35	A	35.7	Very low	39.5	Very low	70 Å²	70	125 Å²	125	58%	0.579	75%	0.748	S	S	*	*	S	Bend	trans	-103	-0.5	-178.8	0	0	0	0	0	115.1
36	L	35.4	Very low	41.7	Very low	163 Å²	163	127.8 Å²	127.8	85%	0.853	75%	0.753	S	S	*	*	S	Bend	trans	-119.1	9	-179.1	-73.1	172.1	0	0	0	115.3	A38	L36-A38 PolarHBondContact O-N 2.91Å
37	V	36.3	Very low	44.3	Very low	136 Å²	136	127.6 Å²	127.6	82%	0.824	74%	0.74	S	S	*	*			trans	-90.3	50	161.7	-164.1	0	0	0	0	109
38	A	38.7	Very low	47	Very low	71 Å²	71	125.1 Å²	125.1	59%	0.587	72%	0.718	S	S	*	*	S	Bend	trans	-92.8	98.4	161.4	0	0	0	0	0	105.9	L36 Q40	L36-A38 PolarHBondContact O-N 2.91Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.97Å
39	D	36.8	Very low	49.8	Very low	152 Å²	152	124.6 Å²	124.6	81%	0.813	72%	0.715	S	S	*	*			trans	-20.4	83.2	167.1	-157.9	24.4	0	0	0	113.5	P41	D39-P41 WeakPolarHBondContact O-CD 3.36Å
40	Q	38.5	Very low	52.9	Low	166 Å²	166	121.9 Å²	121.9	78%	0.776	69%	0.69	S	S	*	*			trans	-76.6	118.1	160.1	-72.1	-74.2	-54.2	0	0	104.4	A38 S42	A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.97Å; Q40-S42 PolarHBondContact O-N 3.41Å
41	P	43.4	Very low	55.9	Low	110 Å²	110	120.6 Å²	120.6	71%	0.714	68%	0.677	S	S	*	*			trans	-57.9	107.1	174.6	22.1	-29.8	0	0	0	106.3	D39 C43	D39-P41 WeakPolarHBondContact O-CD 3.36Å; P41-C43 VanDerWaalsContact C-N 3.34Å; P41-C43 PolarHBondContact O-N 3.03Å
42	S	47.4	Very low	58.6	Low	103 Å²	103	121.5 Å²	121.5	72%	0.72	68%	0.677	S	S	*	*			trans	-59.7	106.6	178.2	63	0	0	0	0	105.3	Q40 A44	Q40-S42 PolarHBondContact O-N 3.41Å; S42-A44 PolarHBondContact O-N 3.49Å
43	C	51.6	Low	61.6	Low	129 Å²	129	114.9 Å²	114.9	87%	0.872	65%	0.649	S	S	*	*			trans	-69.4	63.4	164.3	-159.9	0	0	0	0	106	P41 K45	P41-C43 VanDerWaalsContact C-N 3.34Å; P41-C43 PolarHBondContact O-N 3.03Å; C43-K45 PolarHBondContact O-N 3.07Å
44	A	60.5	Low	64.4	Low	75 Å²	75	115.9 Å²	115.9	62%	0.62	64%	0.639	S	S	*	*			trans	-64.3	106.5	177.2	0	0	0	0	0	104.5	S42 K46	S42-A44 PolarHBondContact O-N 3.49Å; A44-K46 PolarHBondContact O-N 3.38Å
45	K	63.7	Low	67.1	Low	128 Å²	128	117.5 Å²	117.5	56%	0.557	63%	0.633	S	S	*	*			trans	-49.7	109.4	174.7	-91.8	-176.1	173.3	-177.6	0	107.3	C43 W47	C43-K45 PolarHBondContact O-N 3.07Å; K45-W47 PolarHBondContact O-N 2.72Å
46	K	79.3	Confident	69.9	Low	205 Å²	205	118.3 Å²	118.3	89%	0.891	63%	0.63	S	S	*	*			trans	-78.7	95.8	178.7	-165.7	173.4	-175.8	176.9	0	107.2	A44	A44-K46 PolarHBondContact O-N 3.38Å
47	W	88.7	Confident	72.8	Confident	107 Å²	107	117.5 Å²	117.5	41%	0.405	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-56.1	154.7	171.1	-59.2	-75.3	0	0	0	110.4	K45 W102 H105	K45-W47 PolarHBondContact O-N 2.72Å; W47-W102 HydrophobicContact CB-CE3 4.39Å; W47-W102 HydrophobicContact CB-CZ3 4.05Å; W47-H105 HydrophobicContact CD2-CB 4.44Å; W47-H105 AromaticContact CD2-CD2 3.97Å; W47-H105 HydrophobicContact CG-CB 4.43Å; W47-H105 AromaticContact CG-CD2 3.72Å
48	L	90.5	Very high	75.7	Confident	73 Å²	73	113.5 Å²	113.5	38%	0.382	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-59.4	149.9	170.1	-61.4	173.1	0	0	0	109.4	V50 W102	L48-V50 PolarHBondContact O-N 3.47Å; L48-W102 HydrophobicContact CB-CH2 3.69Å; L48-W102 HydrophobicContact CB-CZ2 4.08Å; L48-W102 HydrophobicContact CB-CZ3 4.47Å; L48-W102 HydrophobicContact CD1-CH2 4.46Å; L48-W102 HydrophobicContact CD1-CZ2 3.99Å; L48-W102 HydrophobicContact CG-CH2 4.45Å; L48-W102 HydrophobicContact CG-CZ2 4.43Å
49	P	93.6	Very high	78.5	Confident	112 Å²	112	112.8 Å²	112.8	73%	0.727	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-58	131.5	178.5	-24.7	34.3	0	0	0	112.2
50	V	95.8	Very high	81.5	Confident	27 Å²	27	109.1 Å²	109.1	16%	0.164	55%	0.55	C	S	.	.			trans	-119.5	134	-179.9	168.8	0	0	0	0	110	L48 M79 W102	L48-V50 PolarHBondContact O-N 3.47Å; V50-M79 WeakPolarHBondContact CG1-O 3.39Å; V50-M79 WeakPolarHBondContact CG2-O 3.47Å; V50-W102 HydrophobicContact CG2-CH2 3.71Å; V50-W102 HydrophobicContact CG2-CZ3 3.68Å
51	K	96.4	Very high	84.4	Confident	119 Å²	119	101.2 Å²	101.2	52%	0.517	51%	0.513	S	S	.	.			trans	-63.4	140.4	172.8	-68.3	175.9	-167.4	158.9	0	110.7	Q80 D81 G82	K51-Q80 WeakPolarHBondContact CG-O 3.43Å; K51-Q80 PolarHBondContact N-O 3.05Å; K51-D81 IonicContact NZ-OD1 3.17Å; K51-D81 PolarHBondContact NZ-OD1 3.4Å; K51-G82 WeakPolarHBondContact O-CA 3.38Å
52	Q	94.1	Very high	87	Confident	164 Å²	164	96 Å²	96	77%	0.766	48%	0.479	S	S	*	.			trans	-88.1	109.7	171.1	-63.6	-58.5	-42.8	0	0	109.5
53	L	95.7	Very high	89.5	Confident	49 Å²	49	91 Å²	91	26%	0.257	45%	0.445	S	S	.	.			trans	-94.6	140.2	173.7	-65.1	-177.9	0	0	0	110.5	K58 D81 H83	L53-K58 HydrophobicContact CB-CB 4.34Å; L53-D81 VanDerWaalsContact CD1-O 3.29Å; L53-D81 WeakPolarHBondContact CD1-O 3.32Å; L53-D81 WeakPolarHBondContact CG-O 3.03Å; L53-H83 WeakPolarHBondContact CD1-ND1 3.32Å
54	H	95.5	Very high	91.7	Very high	111 Å²	111	84.9 Å²	84.9	51%	0.514	40%	0.403	S	S	.	.			trans	-58.7	142.8	163.1	-174.5	-95	0	0	0	109.5	T56 K57 K58	H54-T56 PolarHBondContact ND1-N 3.38Å; H54-T56 PolarHBondContact ND1-OG1 2.94Å; H54-T56 PolarHBondContact O-N 2.79Å; H54-K57 PolarHBondContact O-N 2.89Å; H54-K58 PolarHBondContact O-N 3.29Å
55	W	91.6	Very high	93.5	Very high	198 Å²	198	81.9 Å²	81.9	75%	0.75	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.1	-172.6	66.6	-92.8	0	0	0	113.5	K57 K58	W55-K57 VanDerWaalsContact C-N 3.28Å; W55-K57 PolarHBondContact O-N 3.33Å; W55-K58 PolarHBondContact O-N 3.06Å
56	T	94.6	Very high	95.2	Very high	86 Å²	86	75.8 Å²	75.8	53%	0.528	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.2	175.8	60.1	0	0	0	0	115	H54	H54-T56 PolarHBondContact ND1-N 3.38Å; H54-T56 PolarHBondContact ND1-OG1 2.94Å; H54-T56 PolarHBondContact O-N 2.79Å
57	K	96.1	Very high	96.1	Very high	146 Å²	146	66 Å²	66	64%	0.635	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-12.6	176.9	-65.8	-171.8	177.6	-177.2	0	112.4	H54 W55	H54-K57 PolarHBondContact O-N 2.89Å; W55-K57 VanDerWaalsContact C-N 3.28Å; W55-K57 PolarHBondContact O-N 3.33Å
58	K	97.2	Very high	96.5	Very high	52 Å²	52	61.5 Å²	61.5	23%	0.226	30%	0.297	C	S	.	.			trans	-77.4	127.2	176.8	-174.7	-179.7	-85.2	-167.5	0	108.1	L53 H54 W55 G82 E84 N107	L53-K58 HydrophobicContact CB-CB 4.34Å; H54-K58 PolarHBondContact O-N 3.29Å; W55-K58 PolarHBondContact O-N 3.06Å; K58-G82 WeakPolarHBondContact CE-O 3.27Å; K58-E84 HydrophobicContact CD-CG 4.01Å; K58-E84 WeakPolarHBondContact CD-OE1 3.22Å; K58-N107 PolarHBondContact NZ-OD1 3.02Å
59	K	98.4	Very high	96.8	Very high	56 Å²	56	59.5 Å²	59.5	24%	0.243	29%	0.285	C	S	.	.			trans	-108.3	152.4	176.2	-59.9	175.2	-170.1	167.1	0	108.7	I61 H83 E84 D124 E125	K59-I61 HydrophobicContact CB-CD1 4.13Å; K59-I61 HydrophobicContact CB-CG1 3.84Å; K59-I61 HydrophobicContact CD-CD1 4.49Å; K59-H83 PolarHBondContact N-ND1 2.88Å; K59-E84 PolarHBondContact O-N 3.31Å; K59-D124 VanDerWaalsContact CA-OD2 3.31Å; K59-D124 WeakPolarHBondContact CA-OD2 3.39Å; K59-D124 HydrophobicContact CB-CB 4.21Å; K59-E125 HydrophobicContact CD-CG 4.21Å; K59-E125 WeakPolarHBondContact CD-OE1 3.44Å; K59-E125 WeakPolarHBondContact CE-OE1 3.46Å; K59-E125 IonicContact NZ-OE1 3.93Å; K59-E125 PolarHBondContact NZ-OE1 3.04Å; K59-E125 IonicContact NZ-OE2 3.93Å
60	R	98.6	Very high	97	Very high	75 Å²	75	55.5 Å²	55.5	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.1	168.8	-171.6	169.1	167.7	107.4	11	109.1	E84 I86 E109 E122 V123 D124	R60-E84 CarbonylContact C-O 3.4Å; R60-E84 WeakPolarHBondContact CA-O 3.47Å; R60-E84 HydrophobicContact CB-CB 4.35Å; R60-E84 HydrophobicContact CG-CB 4.35Å; R60-E84 IonicContact NH1-OE2 3.83Å; R60-I86 HydrophobicContact CG-CD1 4.2Å; R60-E109 IonicContact CZ-OE2 2.75Å; R60-E109 IonicContact NH2-OE2 3.81Å; R60-E109 PolarHBondContact NH2-OE2 3.31Å; R60-E122 WeakPolarHBondContact CD-O 3.34Å; R60-E122 WeakPolarHBondContact CG-O 3.32Å; R60-E122 PolarHBondContact NE-O 3.04Å; R60-V123 HydrophobicContact CG-CG1 4.5Å; R60-V123 CarbonylContact O-C 3.54Å; R60-V123 WeakPolarHBondContact O-CA 3.28Å; R60-D124 PolarHBondContact N-OD2 3.39Å; R60-D124 PolarHBondContact O-N 2.95Å
61	I	98.9	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.6	-166.5	-53.7	179.2	0	0	0	110	K59 L78 H83 E84 V85 I86 E125 Y127	K59-I61 HydrophobicContact CB-CD1 4.13Å; K59-I61 HydrophobicContact CB-CG1 3.84Å; K59-I61 HydrophobicContact CD-CD1 4.49Å; I61-L78 HydrophobicContact CB-CD1 4.47Å; I61-L78 HydrophobicContact CD1-CD1 4.43Å; I61-L78 HydrophobicContact CD1-CD2 3.85Å; I61-L78 HydrophobicContact CG2-CD1 3.79Å; I61-H83 HydrophobicContact CD1-CB 3.81Å; I61-H83 HydrophobicContact CG1-CB 4.39Å; I61-E84 PolarHBondContact N-O 2.86Å; I61-V85 WeakPolarHBondContact O-CA 3.43Å; I61-I86 PolarHBondContact O-N 3.07Å; I61-E125 WeakPolarHBondContact CA-O 3.44Å; I61-E125 HydrophobicContact CG1-CB 4.24Å; I61-E125 HydrophobicContact CG2-CB 4.15Å; I61-Y127 HydrophobicContact CG2-CD2 3.53Å; I61-Y127 HydrophobicContact CG2-CE2 3.67Å
62	L	98.9	Very high	97.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.7	173.1	169.4	69.6	0	0	0	111	T64 I86 L88 V121 V123 E125 I126 Y127 M156 L159	L62-T64 HydrophobicContact CD1-CG2 4.4Å; L62-T64 HydrophobicContact CD2-CG2 4.11Å; L62-T64 HydrophobicContact CG-CG2 4.08Å; L62-I86 WeakPolarHBondContact CA-O 3.4Å; L62-I86 HydrophobicContact CD1-CB 4.05Å; L62-I86 HydrophobicContact CD1-CG2 3.9Å; L62-L88 HydrophobicContact CD1-CB 3.63Å; L62-L88 HydrophobicContact CD1-CD1 4.13Å; L62-V121 HydrophobicContact CD2-CG2 4.46Å; L62-V123 HydrophobicContact CB-CG1 3.79Å; L62-E125 PolarHBondContact N-O 2.93Å; L62-I126 HydrophobicContact CB-CG1 4.26Å; L62-I126 HydrophobicContact CD2-CG1 4.27Å; L62-I126 HydrophobicContact CD2-CG2 4.28Å; L62-I126 CarbonylContact O-C 3.32Å; L62-I126 WeakPolarHBondContact O-CA 3.38Å; L62-Y127 PolarHBondContact O-N 3.28Å; L62-M156 HydrophobicContact CD2-SD 3.96Å; L62-L159 HydrophobicContact CD2-CD2 3.67Å
63	V	99	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100.8	171.6	-172.9	0	0	0	0	108.5	G66 L74 V75 L78 V85 I86 L88 L129	V63-G66 PolarHBondContact O-N 2.78Å; V63-L74 HydrophobicContact CG1-CD2 4.09Å; V63-L74 HydrophobicContact CG2-CD2 4.33Å; V63-V75 HydrophobicContact CB-CG2 4.07Å; V63-V75 HydrophobicContact CG1-CG2 4.24Å; V63-V75 HydrophobicContact CG2-CG2 4.15Å; V63-L78 HydrophobicContact CG2-CD1 3.7Å; V63-V85 HydrophobicContact CG2-CG1 4.16Å; V63-I86 PolarHBondContact N-O 2.82Å; V63-L88 PolarHBondContact O-N 3.12Å; V63-L129 HydrophobicContact CG1-CD1 4.45Å
64	T	98.9	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	141.9	171.8	70.3	0	0	0	0	110	L62 L88 V115 Y127 H128 L129 A130 M156	L62-T64 HydrophobicContact CD1-CG2 4.4Å; L62-T64 HydrophobicContact CD2-CG2 4.11Å; L62-T64 HydrophobicContact CG-CG2 4.08Å; T64-L88 CarbonylContact C-O 3.56Å; T64-L88 WeakPolarHBondContact CA-O 3.32Å; T64-L88 HydrophobicContact CG2-CB 4.46Å; T64-L88 HydrophobicContact CG2-CD2 4.28Å; T64-V115 HydrophobicContact CG2-CG1 3.9Å; T64-Y127 PolarHBondContact N-O 2.86Å; T64-H128 VanDerWaalsContact OG1-CA 3.29Å; T64-H128 WeakPolarHBondContact OG1-CA 3.36Å; T64-H128 PolarHBondContact OG1-ND1 2.84Å; T64-L129 CarbonylContact O-C 3.28Å; T64-L129 WeakPolarHBondContact O-CA 3.3Å; T64-L129 VanDerWaalsContact O-CB 3.29Å; T64-L129 WeakPolarHBondContact O-CB 3.49Å; T64-L129 PolarHBondContact O-N 3.39Å; T64-L129 VanDerWaalsContact O-N 3.12Å; T64-L129 PolarHBondContact OG1-N 2.85Å; T64-A130 PolarHBondContact O-N 3.3Å; T64-A130 VanDerWaalsContact O-N 3.11Å; T64-A130 WeakPolarHBondContact OG1-CB 3.43Å; T64-A130 PolarHBondContact OG1-N 2.93Å; T64-M156 HydrophobicContact CG2-CG 4.01Å; T64-M156 HydrophobicContact CG2-SD 3.52Å; T64-M156 VanDerWaalsContact CG2-SD 3.52Å
65	G	98.5	Very high	97.8	Very high	12 Å²	12	34.8 Å²	34.8	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	24	-166.1	0	0	0	0	0	111.7	A67 G68 L88 D89	G65-A67 PolarHBondContact O-N 3.01Å; G65-G68 PolarHBondContact O-N 2.82Å; G65-L88 PolarHBondContact N-O 3.31Å; G65-D89 VanDerWaalsContact CA-OD2 3.31Å; G65-D89 WeakPolarHBondContact CA-OD2 2.95Å
66	G	98.5	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.1	-172.4	0	0	0	0	0	114.1	V63 G71 S72 L88 I99	V63-G66 PolarHBondContact O-N 2.78Å; G66-G71 CarbonylContact O-C 3.54Å; G66-G71 VanDerWaalsContact O-C 3.28Å; G66-S72 WeakPolarHBondContact O-CA 3.39Å; G66-S72 PolarHBondContact O-N 3.4Å; G66-S72 VanDerWaalsContact O-N 3.08Å; G66-L88 PolarHBondContact N-O 3.48Å; G66-I99 VanDerWaalsContact O-CG2 3.23Å; G66-I99 WeakPolarHBondContact O-CG2 3.45Å
67	A	98.3	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.6	174.8	0	0	0	0	0	113	G65 D89 F91 G94 K95 N98 I99	G65-A67 PolarHBondContact O-N 3.01Å; A67-D89 HydrophobicContact CB-CB 3.77Å; A67-D89 WeakPolarHBondContact CB-OD2 3.42Å; A67-D89 PolarHBondContact N-OD2 3.28Å; A67-F91 HydrophobicContact CB-CD1 3.95Å; A67-F91 HydrophobicContact CB-CE1 3.54Å; A67-G94 WeakPolarHBondContact O-CA 3.16Å; A67-K95 PolarHBondContact O-N 2.91Å; A67-N98 PolarHBondContact O-ND2 2.83Å; A67-I99 HydrophobicContact CB-CD1 3.72Å; A67-I99 HydrophobicContact CB-CG1 4.08Å
68	G	97.3	Very high	98.4	Very high	12 Å²	12	17.6 Å²	17.6	12%	0.124	9%	0.086	C	C	.	.	S	Bend	trans	-73.8	177.7	173.8	0	0	0	0	0	113.1	G65 S72 D89	G65-G68 PolarHBondContact O-N 2.82Å; G68-S72 WeakPolarHBondContact O-CB 3.4Å; G68-S72 PolarHBondContact O-N 2.73Å; G68-S72 PolarHBondContact O-OG 2.96Å; G68-D89 PolarHBondContact N-OD2 3.01Å
69	F	96.7	Very high	98.5	Very high	30 Å²	30	15.1 Å²	15.1	13%	0.132	8%	0.075	C	C	.	.	H	α-helix	trans	-55.3	-66.8	177.8	167	-136.2	0	0	0	111.1	G71 S72 H73 T231 Y232 P234 R235 M236 I272	F69-G71 PolarHBondContact O-N 2.78Å; F69-S72 PolarHBondContact O-OG 2.83Å; F69-H73 AromaticContact CD2-CD2 4Å; F69-H73 AromaticContact CE2-CD2 4Å; F69-H73 AromaticContact CE2-NE2 3.94Å; F69-H73 PolarHBondContact O-CD2 2.81Å; F69-H73 VanDerWaalsContact O-CD2 3.25Å; F69-T231 HydrophobicContact CE1-CG2 4.22Å; F69-T231 HydrophobicContact CZ-CG2 4.33Å; F69-Y232 VanDerWaalsContact CZ-C 3.47Å; F69-P234 VanDerWaalsContact CD2-O 3.23Å; F69-P234 WeakPolarHBondContact CD2-O 3.29Å; F69-P234 WeakPolarHBondContact CE2-O 3.37Å; F69-R235 HydrophobicContact CD2-CB 4.34Å; F69-M236 HydrophobicContact CD1-CG 3.56Å; F69-M236 HydrophobicContact CD2-CG 3.72Å; F69-M236 HydrophobicContact CE1-CE 4.34Å; F69-M236 HydrophobicContact CE1-CG 3.46Å; F69-M236 VanDerWaalsContact CE1-CG 3.46Å; F69-M236 HydrophobicContact CE1-SD 3.95Å; F69-M236 HydrophobicContact CE2-CG 3.64Å; F69-M236 HydrophobicContact CG-CG 3.69Å; F69-M236 HydrophobicContact CZ-CG 3.5Å; F69-M236 HydrophobicContact CZ-SD 4.04Å; F69-I272 HydrophobicContact CD2-CG1 4.48Å; F69-I272 HydrophobicContact CE1-CD1 4.21Å; F69-I272 HydrophobicContact CE2-CB 3.86Å; F69-I272 HydrophobicContact CE2-CD1 3.93Å; F69-I272 HydrophobicContact CE2-CG1 3.65Å; F69-I272 HydrophobicContact CE2-CG2 4.35Å; F69-I272 HydrophobicContact CZ-CB 3.72Å; F69-I272 HydrophobicContact CZ-CD1 3.75Å; F69-I272 HydrophobicContact CZ-CG1 3.79Å
70	V	98.4	Very high	98.5	Very high	28 Å²	28	16 Å²	16	17%	0.17	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-43.1	-178.1	-176.3	0	0	0	0	112.1	S72 H73 L74 L129 I272 L275 L279	V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 2.98Å; V70-H73 PolarHBondContact O-N 3.17Å; V70-L74 PolarHBondContact O-N 3.14Å; V70-L129 HydrophobicContact CB-CD2 3.94Å; V70-L129 HydrophobicContact CG1-CD2 3.56Å; V70-I272 HydrophobicContact CB-CD1 4.24Å; V70-I272 HydrophobicContact CG1-CD1 4.19Å; V70-I272 HydrophobicContact CG2-CD1 3.96Å; V70-L275 HydrophobicContact CB-CD2 4.34Å; V70-L275 HydrophobicContact CG1-CD2 3.58Å; V70-L275 HydrophobicContact CG1-CG 4.27Å; V70-L275 HydrophobicContact CG2-CD2 3.73Å; V70-L279 HydrophobicContact CG1-CD1 3.85Å
71	G	98.6	Very high	98.5	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-58.4	-40.7	-177.9	0	0	0	0	0	113.2	G66 F69 L74 V75	G66-G71 CarbonylContact O-C 3.54Å; G66-G71 VanDerWaalsContact O-C 3.28Å; F69-G71 PolarHBondContact O-N 2.78Å; G71-L74 WeakPolarHBondContact O-CB 3.3Å; G71-L74 PolarHBondContact O-N 3.32Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.37Å; G71-V75 PolarHBondContact O-N 3.01Å
72	S	98.5	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.9	-37.8	-178.6	62.5	0	0	0	0	113.7	G66 G68 F69 V70 L74 V75 D76 N98 R235	G66-S72 WeakPolarHBondContact O-CA 3.39Å; G66-S72 PolarHBondContact O-N 3.4Å; G66-S72 VanDerWaalsContact O-N 3.08Å; G68-S72 WeakPolarHBondContact O-CB 3.4Å; G68-S72 PolarHBondContact O-N 2.73Å; G68-S72 PolarHBondContact O-OG 2.96Å; F69-S72 PolarHBondContact O-OG 2.83Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 2.98Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-V75 PolarHBondContact O-N 3.06Å; S72-D76 PolarHBondContact O-N 3.37Å; S72-N98 WeakPolarHBondContact CB-O 3.28Å; S72-R235 PolarHBondContact O-NH1 2.75Å; S72-R235 VanDerWaalsContact OG-CD 3.23Å; S72-R235 WeakPolarHBondContact OG-CD 3.39Å; S72-R235 PolarHBondContact OG-NH1 2.89Å
73	H	98.7	Very high	98.4	Very high	34 Å²	34	14.2 Å²	14.2	16%	0.157	8%	0.075	C	C	.	.	H	α-helix	trans	-68.2	-35.4	173.2	-73	-85.9	0	0	0	111.6	F69 V70 D76 K77 P234 I272 V276	F69-H73 AromaticContact CD2-CD2 4Å; F69-H73 AromaticContact CE2-CD2 4Å; F69-H73 AromaticContact CE2-NE2 3.94Å; F69-H73 PolarHBondContact O-CD2 2.81Å; F69-H73 VanDerWaalsContact O-CD2 3.25Å; V70-H73 PolarHBondContact O-N 3.17Å; H73-D76 PolarHBondContact O-N 3.43Å; H73-K77 PolarHBondContact O-N 3.27Å; H73-P234 PolarHBondContact NE2-O 3.07Å; H73-I272 HydrophobicContact CB-CD1 4.46Å; H73-I272 HydrophobicContact CB-CG1 3.89Å; H73-I272 VanDerWaalsContact CD2-CG1 3.44Å; H73-I272 WeakPolarHBondContact CD2-CG1 3.22Å; H73-V276 HydrophobicContact CB-CG2 3.73Å
74	L	98.9	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-42.3	173.1	179.2	62.9	0	0	0	111.6	V63 V70 G71 S72 D76 K77 L78 Y127 L129 V276 V280	V63-L74 HydrophobicContact CG1-CD2 4.09Å; V63-L74 HydrophobicContact CG2-CD2 4.33Å; V70-L74 PolarHBondContact O-N 3.14Å; G71-L74 WeakPolarHBondContact O-CB 3.3Å; G71-L74 PolarHBondContact O-N 3.32Å; S72-L74 VanDerWaalsContact C-N 3.33Å; L74-D76 VanDerWaalsContact C-N 3.34Å; L74-D76 PolarHBondContact O-N 3.22Å; L74-K77 PolarHBondContact O-N 3.05Å; L74-L78 HydrophobicContact CD1-CD1 4.06Å; L74-L78 HydrophobicContact CD1-CD2 4.49Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.3Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.33Å; L74-Y127 HydrophobicContact CD1-CD1 4.46Å; L74-Y127 HydrophobicContact CD1-CE1 4.22Å; L74-Y127 HydrophobicContact CD2-CD1 3.52Å; L74-Y127 HydrophobicContact CD2-CD2 4.37Å; L74-Y127 HydrophobicContact CD2-CE1 4.12Å; L74-Y127 HydrophobicContact CD2-CG 3.65Å; L74-L129 HydrophobicContact CD2-CD1 4.03Å; L74-L129 HydrophobicContact CD2-CD2 4.19Å; L74-V276 HydrophobicContact CB-CG2 4.48Å; L74-V276 HydrophobicContact CD1-CG1 4.19Å; L74-V280 HydrophobicContact CD1-CG2 3.88Å
75	V	98.8	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.9	-47.8	173.1	165.4	0	0	0	0	110.4	V63 G71 S72 K77 L78 M79 V85 A87 I99 F108	V63-V75 HydrophobicContact CB-CG2 4.07Å; V63-V75 HydrophobicContact CG1-CG2 4.24Å; V63-V75 HydrophobicContact CG2-CG2 4.15Å; G71-V75 VanDerWaalsContact O-CG2 3.29Å; G71-V75 WeakPolarHBondContact O-CG2 3.37Å; G71-V75 PolarHBondContact O-N 3.01Å; S72-V75 PolarHBondContact O-N 3.06Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.44Å; V75-L78 PolarHBondContact O-N 2.9Å; V75-M79 HydrophobicContact CG1-CG 4.18Å; V75-M79 VanDerWaalsContact O-CB 3.28Å; V75-M79 WeakPolarHBondContact O-CB 3.35Å; V75-M79 VanDerWaalsContact O-CG 3.24Å; V75-M79 WeakPolarHBondContact O-CG 3.4Å; V75-M79 PolarHBondContact O-N 3.35Å; V75-V85 HydrophobicContact CB-CG1 4.44Å; V75-V85 HydrophobicContact CG1-CG1 4.2Å; V75-V85 HydrophobicContact CG2-CG1 4.01Å; V75-A87 HydrophobicContact CG2-CB 4.15Å; V75-I99 HydrophobicContact CB-CG2 4.48Å; V75-I99 HydrophobicContact CG1-CG2 4.31Å; V75-F108 HydrophobicContact CG1-CD2 4.25Å; V75-F108 HydrophobicContact CG1-CE2 3.65Å
76	D	98.6	Very high	98.4	Very high	14 Å²	14	16.8 Å²	16.8	8%	0.075	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-48.4	176.1	-72.2	-16.5	0	0	0	111.7	S72 H73 L74 M79 Q80 H101 W102 R235	S72-D76 PolarHBondContact O-N 3.37Å; H73-D76 PolarHBondContact O-N 3.43Å; L74-D76 VanDerWaalsContact C-N 3.34Å; L74-D76 PolarHBondContact O-N 3.22Å; D76-M79 PolarHBondContact O-N 3.34Å; D76-Q80 VanDerWaalsContact O-CB 3.3Å; D76-Q80 WeakPolarHBondContact O-CB 3.48Å; D76-Q80 WeakPolarHBondContact O-CG 3.45Å; D76-Q80 PolarHBondContact O-N 3.01Å; D76-H101 IonicContact OD1-CD2 2.79Å; D76-H101 IonicContact OD1-CE1 3.65Å; D76-H101 PolarHBondContact OD1-CE1 3.13Å; D76-H101 IonicContact OD1-NE2 3.92Å; D76-H101 PolarHBondContact OD1-NE2 3.42Å; D76-H101 IonicContact OD2-NE2 2.76Å; D76-W102 PolarHBondContact OD1-NE1 2.56Å; D76-R235 IonicContact OD1-NH1 2.8Å; D76-R235 IonicContact OD1-NH2 2.77Å; D76-R235 IonicContact OD2-CZ 2.73Å; D76-R235 IonicContact OD2-NH1 3.73Å; D76-R235 PolarHBondContact OD2-NH1 3.21Å; D76-R235 IonicContact OD2-NH2 3.06Å; D76-R235 PolarHBondContact OD2-NH2 3.05Å
77	K	98.6	Very high	98.4	Very high	52 Å²	52	16.8 Å²	16.8	23%	0.226	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-48.6	-179.7	177.2	58.4	172	135.8	0	112	H73 L74 V75 Q80 D81 V276 V280	H73-K77 PolarHBondContact O-N 3.27Å; L74-K77 PolarHBondContact O-N 3.05Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.44Å; K77-Q80 PolarHBondContact O-N 2.93Å; K77-D81 WeakPolarHBondContact CE-OD2 3.46Å; K77-D81 VanDerWaalsContact NZ-CG 3.3Å; K77-D81 IonicContact NZ-OD1 3.84Å; K77-D81 PolarHBondContact NZ-OD1 2.94Å; K77-D81 IonicContact NZ-OD2 3.24Å; K77-D81 PolarHBondContact NZ-OD2 3.21Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.43Å; K77-V276 HydrophobicContact CB-CG1 3.56Å; K77-V276 HydrophobicContact CG-CG1 3.75Å; K77-V280 HydrophobicContact CG-CG2 4.04Å
78	L	98.8	Very high	98.4	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-39.1	-178.9	-65.9	172.4	0	0	0	112.2	I61 V63 L74 V75 D81 G82 H83 V85 Y127 V280	I61-L78 HydrophobicContact CB-CD1 4.47Å; I61-L78 HydrophobicContact CD1-CD1 4.43Å; I61-L78 HydrophobicContact CD1-CD2 3.85Å; I61-L78 HydrophobicContact CG2-CD1 3.79Å; V63-L78 HydrophobicContact CG2-CD1 3.7Å; L74-L78 HydrophobicContact CD1-CD1 4.06Å; L74-L78 HydrophobicContact CD1-CD2 4.49Å; L74-L78 HydrophobicContact CD1-CG 4.04Å; L74-L78 HydrophobicContact CG-CD1 3.88Å; L74-L78 HydrophobicContact CG-CG 4.3Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 3.33Å; V75-L78 PolarHBondContact O-N 2.9Å; L78-D81 PolarHBondContact O-N 3.2Å; L78-G82 PolarHBondContact O-N 3.36Å; L78-H83 PolarHBondContact O-N 2.85Å; L78-V85 HydrophobicContact CB-CG2 3.61Å; L78-Y127 HydrophobicContact CD1-CD2 4.23Å; L78-Y127 HydrophobicContact CD1-CE2 4.08Å; L78-Y127 HydrophobicContact CD2-CE2 4.27Å; L78-V280 HydrophobicContact CD2-CG2 4.43Å
79	M	98.5	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-50	172.9	-76.7	-63	-65.3	0	0	110.5	V50 V75 D76 D81 G82 V85 W102 H105 N107 F108	V50-M79 WeakPolarHBondContact CG1-O 3.39Å; V50-M79 WeakPolarHBondContact CG2-O 3.47Å; V75-M79 HydrophobicContact CG1-CG 4.18Å; V75-M79 VanDerWaalsContact O-CB 3.28Å; V75-M79 WeakPolarHBondContact O-CB 3.35Å; V75-M79 VanDerWaalsContact O-CG 3.24Å; V75-M79 WeakPolarHBondContact O-CG 3.4Å; V75-M79 PolarHBondContact O-N 3.35Å; D76-M79 PolarHBondContact O-N 3.34Å; M79-D81 PolarHBondContact O-N 3.23Å; M79-G82 PolarHBondContact O-N 3.42Å; M79-V85 HydrophobicContact CG-CB 4.15Å; M79-V85 HydrophobicContact CG-CG2 3.9Å; M79-V85 HydrophobicContact SD-CB 3.76Å; M79-V85 HydrophobicContact SD-CG2 3.7Å; M79-W102 HydrophobicContact CB-CD2 4.09Å; M79-W102 HydrophobicContact CB-CE3 4.29Å; M79-W102 HydrophobicContact CB-CH2 3.7Å; M79-W102 HydrophobicContact CB-CZ2 3.49Å; M79-W102 VanDerWaalsContact CB-CZ2 3.49Å; M79-W102 HydrophobicContact CB-CZ3 4.1Å; M79-W102 HydrophobicContact CE-CD2 3.95Å; M79-W102 HydrophobicContact CE-CE3 3.5Å; M79-W102 HydrophobicContact CE-CG 4.49Å; M79-W102 HydrophobicContact CE-CZ3 3.87Å; M79-W102 HydrophobicContact CG-CD2 3.92Å; M79-W102 HydrophobicContact CG-CE3 4.32Å; M79-W102 HydrophobicContact CG-CG 4.24Å; M79-W102 HydrophobicContact CG-CZ2 4.2Å; M79-H105 HydrophobicContact CE-CB 4.13Å; M79-N107 HydrophobicContact CE-CB 4.05Å; M79-N107 HydrophobicContact SD-CB 4.3Å; M79-F108 HydrophobicContact CE-CB 3.75Å; M79-F108 HydrophobicContact CG-CD2 4.39Å; M79-F108 HydrophobicContact SD-CB 3.96Å; M79-F108 HydrophobicContact SD-CD2 4.04Å; M79-F108 HydrophobicContact SD-CG 4.48Å
80	Q	98.1	Very high	98.5	Very high	73 Å²	73	17.2 Å²	17.2	34%	0.341	9%	0.085	S	C	.	.	H	α-helix	trans	-61	-32	177.7	-73.8	174.7	-27.1	0	0	112.7	K51 D76 K77 G82 W102	K51-Q80 WeakPolarHBondContact CG-O 3.43Å; K51-Q80 PolarHBondContact N-O 3.05Å; D76-Q80 VanDerWaalsContact O-CB 3.3Å; D76-Q80 WeakPolarHBondContact O-CB 3.48Å; D76-Q80 WeakPolarHBondContact O-CG 3.45Å; D76-Q80 PolarHBondContact O-N 3.01Å; K77-Q80 PolarHBondContact O-N 2.93Å; Q80-G82 PolarHBondContact O-N 3.12Å; Q80-W102 HydrophobicContact CG-CH2 4.43Å; Q80-W102 HydrophobicContact CG-CZ2 4.45Å
81	D	98	Very high	98.4	Very high	21 Å²	21	18.1 Å²	18.1	11%	0.112	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.3	174.6	-74.4	-31.5	0	0	0	113.8	K51 L53 K77 L78 M79	K51-D81 IonicContact NZ-OD1 3.17Å; K51-D81 PolarHBondContact NZ-OD1 3.4Å; L53-D81 VanDerWaalsContact CD1-O 3.29Å; L53-D81 WeakPolarHBondContact CD1-O 3.32Å; L53-D81 WeakPolarHBondContact CG-O 3.03Å; K77-D81 WeakPolarHBondContact CE-OD2 3.46Å; K77-D81 VanDerWaalsContact NZ-CG 3.3Å; K77-D81 IonicContact NZ-OD1 3.84Å; K77-D81 PolarHBondContact NZ-OD1 2.94Å; K77-D81 IonicContact NZ-OD2 3.24Å; K77-D81 PolarHBondContact NZ-OD2 3.21Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.43Å; L78-D81 PolarHBondContact O-N 3.2Å; M79-D81 PolarHBondContact O-N 3.23Å
82	G	97.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	12	170.2	0	0	0	0	0	115.4	K51 K58 L78 M79 Q80	K51-G82 WeakPolarHBondContact O-CA 3.38Å; K58-G82 WeakPolarHBondContact CE-O 3.27Å; L78-G82 PolarHBondContact O-N 3.36Å; M79-G82 PolarHBondContact O-N 3.42Å; Q80-G82 PolarHBondContact O-N 3.12Å
83	H	98.6	Very high	98	Very high	18 Å²	18	22.6 Å²	22.6	8%	0.083	11%	0.108	C	C	.	.			trans	-80	164.6	177.7	-63.6	-47.9	0	0	0	112.5	L53 K59 I61 L78 N107	L53-H83 WeakPolarHBondContact CD1-ND1 3.32Å; K59-H83 PolarHBondContact N-ND1 2.88Å; I61-H83 HydrophobicContact CD1-CB 3.81Å; I61-H83 HydrophobicContact CG1-CB 4.39Å; L78-H83 PolarHBondContact O-N 2.85Å; H83-N107 WeakPolarHBondContact O-CB 3.49Å
84	E	98.4	Very high	97.8	Very high	62 Å²	62	21 Å²	21	29%	0.29	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.2	162.9	-83.7	166.8	-142.2	0	0	108.8	K58 K59 R60 I61 N107	K58-E84 HydrophobicContact CD-CG 4.01Å; K58-E84 WeakPolarHBondContact CD-OE1 3.22Å; K59-E84 PolarHBondContact O-N 3.31Å; R60-E84 CarbonylContact C-O 3.4Å; R60-E84 WeakPolarHBondContact CA-O 3.47Å; R60-E84 HydrophobicContact CB-CB 4.35Å; R60-E84 HydrophobicContact CG-CB 4.35Å; R60-E84 IonicContact NH1-OE2 3.83Å; I61-E84 PolarHBondContact N-O 2.86Å; E84-N107 CarbonylContact C-O 3.42Å; E84-N107 VanDerWaalsContact CA-O 3.3Å; E84-N107 WeakPolarHBondContact CA-O 3.31Å; E84-N107 HydrophobicContact CG-CB 4.27Å
85	V	98.8	Very high	97.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123	-174.3	-174.5	0	0	0	0	110.2	I61 V63 V75 L78 M79 N107 F108 E109	I61-V85 WeakPolarHBondContact O-CA 3.43Å; V63-V85 HydrophobicContact CG2-CG1 4.16Å; V75-V85 HydrophobicContact CB-CG1 4.44Å; V75-V85 HydrophobicContact CG1-CG1 4.2Å; V75-V85 HydrophobicContact CG2-CG1 4.01Å; L78-V85 HydrophobicContact CB-CG2 3.61Å; M79-V85 HydrophobicContact CG-CB 4.15Å; M79-V85 HydrophobicContact CG-CG2 3.9Å; M79-V85 HydrophobicContact SD-CB 3.76Å; M79-V85 HydrophobicContact SD-CG2 3.7Å; V85-N107 PolarHBondContact N-O 2.83Å; V85-F108 HydrophobicContact CB-CD2 4.48Å; V85-F108 WeakPolarHBondContact O-CA 3.45Å; V85-E109 PolarHBondContact O-N 2.93Å
86	I	98.8	Very high	97.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.1	170	-49.6	174	0	0	0	107.5	R60 I61 L62 V63 E109 L111 V121 V123	R60-I86 HydrophobicContact CG-CD1 4.2Å; I61-I86 PolarHBondContact O-N 3.07Å; L62-I86 WeakPolarHBondContact CA-O 3.4Å; L62-I86 HydrophobicContact CD1-CB 4.05Å; L62-I86 HydrophobicContact CD1-CG2 3.9Å; V63-I86 PolarHBondContact N-O 2.82Å; I86-E109 CarbonylContact C-O 3.57Å; I86-E109 WeakPolarHBondContact CA-O 3.35Å; I86-E109 HydrophobicContact CG1-CB 4.35Å; I86-E109 HydrophobicContact CG2-CB 4.4Å; I86-L111 HydrophobicContact CG2-CD1 3.47Å; I86-L111 VanDerWaalsContact CG2-CD1 3.47Å; I86-L111 HydrophobicContact CG2-CG 3.74Å; I86-V121 HydrophobicContact CD1-CB 4.36Å; I86-V121 HydrophobicContact CD1-CG2 4.46Å; I86-V123 HydrophobicContact CD1-CG1 3.87Å
87	A	98.8	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.3	170.5	0	0	0	0	0	109.3	V75 I99 F108 E109 L110 L111	V75-A87 HydrophobicContact CG2-CB 4.15Å; A87-I99 HydrophobicContact CB-CD1 4.01Å; A87-F108 HydrophobicContact CB-CE2 3.76Å; A87-F108 HydrophobicContact CB-CZ 3.81Å; A87-E109 PolarHBondContact N-O 2.85Å; A87-L110 HydrophobicContact CB-CD1 4.29Å; A87-L110 WeakPolarHBondContact O-CA 3.46Å; A87-L110 WeakPolarHBondContact O-CD1 3.18Å; A87-L111 PolarHBondContact O-N 3.06Å
88	L	98.8	Very high	97.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.3	177.3	-177.2	158.8	0	0	0	109.7	L62 V63 T64 G65 G66 L111 H113 V115 I119	L62-L88 HydrophobicContact CD1-CB 3.63Å; L62-L88 HydrophobicContact CD1-CD1 4.13Å; V63-L88 PolarHBondContact O-N 3.12Å; T64-L88 CarbonylContact C-O 3.56Å; T64-L88 WeakPolarHBondContact CA-O 3.32Å; T64-L88 HydrophobicContact CG2-CB 4.46Å; T64-L88 HydrophobicContact CG2-CD2 4.28Å; G65-L88 PolarHBondContact N-O 3.31Å; G66-L88 PolarHBondContact N-O 3.48Å; L88-L111 WeakPolarHBondContact CA-O 3.49Å; L88-L111 HydrophobicContact CB-CB 4.49Å; L88-L111 HydrophobicContact CG-CB 4.48Å; L88-H113 HydrophobicContact CD1-CB 4.08Å; L88-H113 HydrophobicContact CD2-CB 4.32Å; L88-H113 VanDerWaalsContact CD2-O 3.31Å; L88-H113 WeakPolarHBondContact CD2-O 3.46Å; L88-H113 HydrophobicContact CG-CB 3.97Å; L88-V115 HydrophobicContact CD2-CG1 3.53Å; L88-I119 HydrophobicContact CD1-CD1 3.49Å; L88-I119 VanDerWaalsContact CD1-CD1 3.49Å
89	D	98.7	Very high	97.1	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	148.6	178	-149.5	-64.6	0	0	0	111	G65 A67 G68 F91 L111 H112 H113	G65-D89 VanDerWaalsContact CA-OD2 3.31Å; G65-D89 WeakPolarHBondContact CA-OD2 2.95Å; A67-D89 HydrophobicContact CB-CB 3.77Å; A67-D89 WeakPolarHBondContact CB-OD2 3.42Å; A67-D89 PolarHBondContact N-OD2 3.28Å; G68-D89 PolarHBondContact N-OD2 3.01Å; D89-F91 HydrophobicContact CB-CD1 4.47Å; D89-F91 HydrophobicContact CB-CE1 4.35Å; D89-F91 WeakPolarHBondContact OD1-CA 3.01Å; D89-F91 PolarHBondContact OD1-N 2.75Å; D89-L111 PolarHBondContact N-O 3.07Å; D89-L111 VanDerWaalsContact N-O 3.1Å; D89-H112 WeakPolarHBondContact O-CA 3.42Å; D89-H112 PolarHBondContact O-CD2 2.84Å; D89-H113 CarbonylContact C-O 3.56Å; D89-H113 PolarHBondContact O-N 2.81Å; D89-H113 VanDerWaalsContact O-N 3.08Å
90	N	97.6	Very high	97	Very high	42 Å²	42	39.2 Å²	39.2	23%	0.225	18%	0.179	C	C	.	.			trans	-96.6	-0.7	172	69.4	1.2	0	0	0	112.9	F92 H112 H113 D114 R144	N90-F92 PolarHBondContact O-N 3Å; N90-F92 VanDerWaalsContact OD1-CB 3.22Å; N90-F92 WeakPolarHBondContact OD1-CB 3.29Å; N90-F92 PolarHBondContact OD1-N 3.48Å; N90-H112 PolarHBondContact O-NE2 3.14Å; N90-H113 PolarHBondContact N-O 2.91Å; N90-D114 HydrophobicContact CB-CB 4.13Å; N90-D114 PolarHBondContact ND2-OD2 2.86Å; N90-R144 PolarHBondContact ND2-NH2 2.84Å; N90-R144 VanDerWaalsContact ND2-NH2 3.12Å
91	F	96.5	Very high	96.9	Very high	47 Å²	47	38.3 Å²	38.3	21%	0.206	18%	0.175	C	C	.	.	S	Bend	trans	58.2	24.7	-176.4	-54.5	-71.3	0	0	0	114.6	A67 D89 R96 L110 H112	A67-F91 HydrophobicContact CB-CD1 3.95Å; A67-F91 HydrophobicContact CB-CE1 3.54Å; D89-F91 HydrophobicContact CB-CD1 4.47Å; D89-F91 HydrophobicContact CB-CE1 4.35Å; D89-F91 WeakPolarHBondContact OD1-CA 3.01Å; D89-F91 PolarHBondContact OD1-N 2.75Å; F91-R96 HydrophobicContact CD1-CB 4.37Å; F91-R96 HydrophobicContact CE1-CB 3.83Å; F91-R96 HydrophobicContact CE1-CG 4.39Å; F91-R96 HydrophobicContact CZ-CB 4.25Å; F91-R96 HydrophobicContact CZ-CG 4.4Å; F91-L110 HydrophobicContact CZ-CD1 4.06Å; F91-L110 HydrophobicContact CZ-CD2 4.16Å; F91-H112 AromaticContact CD2-CD2 3.75Å; F91-H112 AromaticContact CD2-CE1 3.99Å; F91-H112 AromaticContact CD2-NE2 3.73Å; F91-H112 HydrophobicContact CE2-CB 4.19Å; F91-H112 AromaticContact CE2-CG 3.91Å
92	F	94.1	Very high	96.9	Very high	63 Å²	63	37.3 Å²	37.3	28%	0.276	17%	0.17	S	C	.	.	S	Bend	trans	-64.2	-50.4	174.2	-179.2	-121.6	0	0	0	111.4	N90 P132 R144	N90-F92 PolarHBondContact O-N 3Å; N90-F92 VanDerWaalsContact OD1-CB 3.22Å; N90-F92 WeakPolarHBondContact OD1-CB 3.29Å; N90-F92 PolarHBondContact OD1-N 3.48Å; F92-P132 HydrophobicContact CD1-CG 4.07Å; F92-P132 HydrophobicContact CE1-CB 4.44Å; F92-P132 HydrophobicContact CE1-CG 4.04Å; F92-R144 VanDerWaalsContact CG-CZ 3.43Å
93	T	93.4	Very high	96.8	Very high	33 Å²	33	39.8 Å²	39.8	20%	0.202	19%	0.185	C	C	.	.	S	Bend	trans	-116.6	-22.4	171.3	55.6	0	0	0	0	112.2	P132 H137 Q237	T93-P132 HydrophobicContact CG2-CB 4.46Å; T93-H137 HydrophobicContact CG2-CB 4.01Å; T93-Q237 PolarHBondContact O-NE2 3Å
94	G	94.6	Very high	96.6	Very high	1 Å²	1	42 Å²	42	1%	0.01	21%	0.213	C	C	.	.			trans	-65.7	155.2	173.4	0	0	0	0	0	112.3	A67	A67-G94 WeakPolarHBondContact O-CA 3.16Å
95	K	95.6	Very high	96.5	Very high	120 Å²	120	40.2 Å²	40.2	52%	0.522	20%	0.204	S	C	.	.			trans	-124.9	127.4	175.9	-62.3	-63.4	-179	-175.1	0	109.3	A67 H97 N98	A67-K95 PolarHBondContact O-N 2.91Å; K95-H97 PolarHBondContact O-N 2.94Å; K95-N98 VanDerWaalsContact O-CB 3.28Å; K95-N98 WeakPolarHBondContact O-CB 3.41Å; K95-N98 PolarHBondContact O-N 2.88Å
96	R	95.7	Very high	96.4	Very high	129 Å²	129	45.4 Å²	45.4	49%	0.487	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.4	-37.8	179.7	-171.8	177.3	-177.6	116.9	-0.2	112.5	F91 N98 I99 E100 L110	F91-R96 HydrophobicContact CD1-CB 4.37Å; F91-R96 HydrophobicContact CE1-CB 3.83Å; F91-R96 HydrophobicContact CE1-CG 4.39Å; F91-R96 HydrophobicContact CZ-CB 4.25Å; F91-R96 HydrophobicContact CZ-CG 4.4Å; R96-N98 PolarHBondContact O-N 3.31Å; R96-I99 WeakPolarHBondContact O-CG1 3.35Å; R96-I99 PolarHBondContact O-N 3.48Å; R96-E100 PolarHBondContact O-N 3.4Å; R96-L110 HydrophobicContact CG-CD2 4.5Å
97	H	95.1	Very high	96.3	Very high	116 Å²	116	46 Å²	46	54%	0.537	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-52.4	-29.4	175.8	-179.4	66.6	0	0	0	113.9	K95 I99 E100	K95-H97 PolarHBondContact O-N 2.94Å; H97-I99 PolarHBondContact O-N 3.09Å; H97-E100 IonicContact CE1-OE1 2.73Å; H97-E100 IonicContact CG-OE1 3.24Å; H97-E100 IonicContact ND1-OE1 3.67Å; H97-E100 PolarHBondContact ND1-OE1 3.2Å
98	N	96.9	Very high	96.2	Very high	11 Å²	11	47 Å²	47	6%	0.059	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17.4	-179.7	-70.7	-19	0	0	0	114.2	A67 S72 K95 R96 H101	A67-N98 PolarHBondContact O-ND2 2.83Å; S72-N98 WeakPolarHBondContact CB-O 3.28Å; K95-N98 VanDerWaalsContact O-CB 3.28Å; K95-N98 WeakPolarHBondContact O-CB 3.41Å; K95-N98 PolarHBondContact O-N 2.88Å; R96-N98 PolarHBondContact O-N 3.31Å; N98-H101 PolarHBondContact O-CE1 3.4Å; N98-H101 VanDerWaalsContact O-CE1 3.3Å
99	I	97	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-1.8	-174.4	54.3	167	0	0	0	113.5	G66 A67 V75 A87 R96 H97 H101 W102 F108 L110	G66-I99 VanDerWaalsContact O-CG2 3.23Å; G66-I99 WeakPolarHBondContact O-CG2 3.45Å; A67-I99 HydrophobicContact CB-CD1 3.72Å; A67-I99 HydrophobicContact CB-CG1 4.08Å; V75-I99 HydrophobicContact CB-CG2 4.48Å; V75-I99 HydrophobicContact CG1-CG2 4.31Å; A87-I99 HydrophobicContact CB-CD1 4.01Å; R96-I99 WeakPolarHBondContact O-CG1 3.35Å; R96-I99 PolarHBondContact O-N 3.48Å; H97-I99 PolarHBondContact O-N 3.09Å; I99-H101 PolarHBondContact O-N 2.91Å; I99-W102 PolarHBondContact O-N 3.44Å; I99-W102 VanDerWaalsContact O-N 3.09Å; I99-F108 HydrophobicContact CB-CZ 4.2Å; I99-F108 HydrophobicContact CD1-CZ 4.2Å; I99-L110 HydrophobicContact CD1-CD1 3.5Å; I99-L110 VanDerWaalsContact CD1-CD1 3.5Å; I99-L110 HydrophobicContact CD1-CD2 4.13Å; I99-L110 HydrophobicContact CD1-CG 4.36Å
100	E	95.3	Very high	96.2	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.3	-20.4	-172.6	71.9	-174.7	174.1	0	0	114	R96 H97 W102 V103	R96-E100 PolarHBondContact O-N 3.4Å; H97-E100 IonicContact CE1-OE1 2.73Å; H97-E100 IonicContact CG-OE1 3.24Å; H97-E100 IonicContact ND1-OE1 3.67Å; H97-E100 PolarHBondContact ND1-OE1 3.2Å; E100-W102 PolarHBondContact O-N 2.84Å; E100-V103 WeakPolarHBondContact O-CB 3.47Å; E100-V103 PolarHBondContact O-N 2.95Å
101	H	95.8	Very high	96.2	Very high	54 Å²	54	51.6 Å²	51.6	25%	0.25	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64.9	-19.2	174	56	-79.5	0	0	0	112.7	D76 N98 I99	D76-H101 IonicContact OD1-CD2 2.79Å; D76-H101 IonicContact OD1-CE1 3.65Å; D76-H101 PolarHBondContact OD1-CE1 3.13Å; D76-H101 IonicContact OD1-NE2 3.92Å; D76-H101 PolarHBondContact OD1-NE2 3.42Å; D76-H101 IonicContact OD2-NE2 2.76Å; N98-H101 PolarHBondContact O-CE1 3.4Å; N98-H101 VanDerWaalsContact O-CE1 3.3Å; I99-H101 PolarHBondContact O-N 2.91Å
102	W	97.7	Very high	96.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-90.6	-15.2	173.9	-66.2	120.5	0	0	0	114.5	W47 L48 V50 D76 M79 Q80 I99 E100 G104 H105 F108	W47-W102 HydrophobicContact CB-CE3 4.39Å; W47-W102 HydrophobicContact CB-CZ3 4.05Å; L48-W102 HydrophobicContact CB-CH2 3.69Å; L48-W102 HydrophobicContact CB-CZ2 4.08Å; L48-W102 HydrophobicContact CB-CZ3 4.47Å; L48-W102 HydrophobicContact CD1-CH2 4.46Å; L48-W102 HydrophobicContact CD1-CZ2 3.99Å; L48-W102 HydrophobicContact CG-CH2 4.45Å; L48-W102 HydrophobicContact CG-CZ2 4.43Å; V50-W102 HydrophobicContact CG2-CH2 3.71Å; V50-W102 HydrophobicContact CG2-CZ3 3.68Å; D76-W102 PolarHBondContact OD1-NE1 2.56Å; M79-W102 HydrophobicContact CB-CD2 4.09Å; M79-W102 HydrophobicContact CB-CE3 4.29Å; M79-W102 HydrophobicContact CB-CH2 3.7Å; M79-W102 HydrophobicContact CB-CZ2 3.49Å; M79-W102 VanDerWaalsContact CB-CZ2 3.49Å; M79-W102 HydrophobicContact CB-CZ3 4.1Å; M79-W102 HydrophobicContact CE-CD2 3.95Å; M79-W102 HydrophobicContact CE-CE3 3.5Å; M79-W102 HydrophobicContact CE-CG 4.49Å; M79-W102 HydrophobicContact CE-CZ3 3.87Å; M79-W102 HydrophobicContact CG-CD2 3.92Å; M79-W102 HydrophobicContact CG-CE3 4.32Å; M79-W102 HydrophobicContact CG-CG 4.24Å; M79-W102 HydrophobicContact CG-CZ2 4.2Å; Q80-W102 HydrophobicContact CG-CH2 4.43Å; Q80-W102 HydrophobicContact CG-CZ2 4.45Å; I99-W102 PolarHBondContact O-N 3.44Å; I99-W102 VanDerWaalsContact O-N 3.09Å; E100-W102 PolarHBondContact O-N 2.84Å; W102-G104 PolarHBondContact O-N 3.5Å; W102-H105 AromaticContact CZ3-CD2 3.95Å; W102-H105 VanDerWaalsContact O-CB 3.28Å; W102-H105 WeakPolarHBondContact O-CB 3.11Å; W102-H105 PolarHBondContact O-N 2.92Å; W102-F108 HydrophobicContact CB-CB 4.07Å; W102-F108 HydrophobicContact CB-CD1 3.54Å; W102-F108 HydrophobicContact CB-CD2 3.76Å; W102-F108 HydrophobicContact CB-CE1 3.82Å; W102-F108 HydrophobicContact CB-CE2 4.05Å; W102-F108 HydrophobicContact CB-CG 3.49Å; W102-F108 VanDerWaalsContact CB-CG 3.49Å; W102-F108 HydrophobicContact CB-CZ 4.06Å; W102-F108 HydrophobicContact CG-CD2 4.34Å; W102-F108 HydrophobicContact CG-CG 4.46Å; W102-F108 WeakPolarHBondContact O-CD1 3.3Å
103	V	95.7	Very high	96.5	Very high	52 Å²	52	55 Å²	55	32%	0.315	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	125.4	-177.4	174.5	0	0	0	0	110	E100 F108 L110	E100-V103 WeakPolarHBondContact O-CB 3.47Å; E100-V103 PolarHBondContact O-N 2.95Å; V103-F108 HydrophobicContact CG2-CE1 4.08Å; V103-L110 HydrophobicContact CG2-CD2 4.43Å
104	G	95	Very high	96.8	Very high	65 Å²	65	55 Å²	55	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-9.5	-176.2	0	0	0	0	0	114.7	W102	W102-G104 PolarHBondContact O-N 3.5Å
105	H	96.9	Very high	97	Very high	25 Å²	25	55.2 Å²	55.2	12%	0.116	29%	0.287	C	S	.	.			trans	-70.8	136.6	171.4	-166.8	-54.8	0	0	0	110.2	W47 M79 W102 N107 F108	W47-H105 HydrophobicContact CD2-CB 4.44Å; W47-H105 AromaticContact CD2-CD2 3.97Å; W47-H105 HydrophobicContact CG-CB 4.43Å; W47-H105 AromaticContact CG-CD2 3.72Å; M79-H105 HydrophobicContact CE-CB 4.13Å; W102-H105 AromaticContact CZ3-CD2 3.95Å; W102-H105 VanDerWaalsContact O-CB 3.28Å; W102-H105 WeakPolarHBondContact O-CB 3.11Å; W102-H105 PolarHBondContact O-N 2.92Å; H105-N107 PolarHBondContact ND1-N 2.64Å; H105-N107 VanDerWaalsContact ND1-N 3.14Å; H105-N107 PolarHBondContact O-N 3.04Å; H105-F108 HydrophobicContact CB-CB 4.13Å; H105-F108 PolarHBondContact O-N 2.84Å
106	S	95.4	Very high	97.1	Very high	110 Å²	110	51.1 Å²	51.1	77%	0.769	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.9	-178.8	56.2	0	0	0	0	116.5
107	N	97.1	Very high	97.2	Very high	14 Å²	14	49.1 Å²	49.1	8%	0.075	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	2.3	-179.8	-72	-12.2	0	0	0	111	K58 M79 H83 E84 V85 H105	K58-N107 PolarHBondContact NZ-OD1 3.02Å; M79-N107 HydrophobicContact CE-CB 4.05Å; M79-N107 HydrophobicContact SD-CB 4.3Å; H83-N107 WeakPolarHBondContact O-CB 3.49Å; E84-N107 CarbonylContact C-O 3.42Å; E84-N107 VanDerWaalsContact CA-O 3.3Å; E84-N107 WeakPolarHBondContact CA-O 3.31Å; E84-N107 HydrophobicContact CG-CB 4.27Å; V85-N107 PolarHBondContact N-O 2.83Å; H105-N107 PolarHBondContact ND1-N 2.64Å; H105-N107 VanDerWaalsContact ND1-N 3.14Å; H105-N107 PolarHBondContact O-N 3.04Å
108	F	98.4	Very high	97.4	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	-172.8	-176.2	-105.5	0	0	0	111.7	V75 M79 V85 A87 I99 W102 V103 H105 L110	V75-F108 HydrophobicContact CG1-CD2 4.25Å; V75-F108 HydrophobicContact CG1-CE2 3.65Å; M79-F108 HydrophobicContact CE-CB 3.75Å; M79-F108 HydrophobicContact CG-CD2 4.39Å; M79-F108 HydrophobicContact SD-CB 3.96Å; M79-F108 HydrophobicContact SD-CD2 4.04Å; M79-F108 HydrophobicContact SD-CG 4.48Å; V85-F108 HydrophobicContact CB-CD2 4.48Å; V85-F108 WeakPolarHBondContact O-CA 3.45Å; A87-F108 HydrophobicContact CB-CE2 3.76Å; A87-F108 HydrophobicContact CB-CZ 3.81Å; I99-F108 HydrophobicContact CB-CZ 4.2Å; I99-F108 HydrophobicContact CD1-CZ 4.2Å; W102-F108 HydrophobicContact CB-CB 4.07Å; W102-F108 HydrophobicContact CB-CD1 3.54Å; W102-F108 HydrophobicContact CB-CD2 3.76Å; W102-F108 HydrophobicContact CB-CE1 3.82Å; W102-F108 HydrophobicContact CB-CE2 4.05Å; W102-F108 HydrophobicContact CB-CG 3.49Å; W102-F108 VanDerWaalsContact CB-CG 3.49Å; W102-F108 HydrophobicContact CB-CZ 4.06Å; W102-F108 HydrophobicContact CG-CD2 4.34Å; W102-F108 HydrophobicContact CG-CG 4.46Å; W102-F108 WeakPolarHBondContact O-CD1 3.3Å; V103-F108 HydrophobicContact CG2-CE1 4.08Å; H105-F108 HydrophobicContact CB-CB 4.13Å; H105-F108 PolarHBondContact O-N 2.84Å; F108-L110 HydrophobicContact CE1-CB 3.99Å; F108-L110 HydrophobicContact CZ-CB 4.34Å
109	E	98.3	Very high	97.4	Very high	73 Å²	73	48 Å²	48	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.8	174.7	-170.8	175.6	175.4	0	0	109.5	R60 V85 I86 A87 L111	R60-E109 IonicContact CZ-OE2 2.75Å; R60-E109 IonicContact NH2-OE2 3.81Å; R60-E109 PolarHBondContact NH2-OE2 3.31Å; V85-E109 PolarHBondContact O-N 2.93Å; I86-E109 CarbonylContact C-O 3.57Å; I86-E109 WeakPolarHBondContact CA-O 3.35Å; I86-E109 HydrophobicContact CG1-CB 4.35Å; I86-E109 HydrophobicContact CG2-CB 4.4Å; A87-E109 PolarHBondContact N-O 2.85Å; E109-L111 HydrophobicContact CG-CD2 4.1Å; E109-L111 HydrophobicContact CG-CG 4.38Å; E109-L111 WeakPolarHBondContact OE1-CD2 3.24Å
110	L	98.5	Very high	97.4	Very high	38 Å²	38	56.7 Å²	56.7	20%	0.199	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.7	175	173.1	55.3	0	0	0	109.7	A87 F91 R96 I99 V103 F108	A87-L110 HydrophobicContact CB-CD1 4.29Å; A87-L110 WeakPolarHBondContact O-CA 3.46Å; A87-L110 WeakPolarHBondContact O-CD1 3.18Å; F91-L110 HydrophobicContact CZ-CD1 4.06Å; F91-L110 HydrophobicContact CZ-CD2 4.16Å; R96-L110 HydrophobicContact CG-CD2 4.5Å; I99-L110 HydrophobicContact CD1-CD1 3.5Å; I99-L110 VanDerWaalsContact CD1-CD1 3.5Å; I99-L110 HydrophobicContact CD1-CD2 4.13Å; I99-L110 HydrophobicContact CD1-CG 4.36Å; V103-L110 HydrophobicContact CG2-CD2 4.43Å; F108-L110 HydrophobicContact CE1-CB 3.99Å; F108-L110 HydrophobicContact CZ-CB 4.34Å
111	L	98.2	Very high	97.6	Very high	35 Å²	35	54 Å²	54	18%	0.183	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.3	176.3	-60.2	-176.4	0	0	0	110.3	I86 A87 L88 D89 E109 H113 I119 V121	I86-L111 HydrophobicContact CG2-CD1 3.47Å; I86-L111 VanDerWaalsContact CG2-CD1 3.47Å; I86-L111 HydrophobicContact CG2-CG 3.74Å; A87-L111 PolarHBondContact O-N 3.06Å; L88-L111 WeakPolarHBondContact CA-O 3.49Å; L88-L111 HydrophobicContact CB-CB 4.49Å; L88-L111 HydrophobicContact CG-CB 4.48Å; D89-L111 PolarHBondContact N-O 3.07Å; D89-L111 VanDerWaalsContact N-O 3.1Å; E109-L111 HydrophobicContact CG-CD2 4.1Å; E109-L111 HydrophobicContact CG-CG 4.38Å; E109-L111 WeakPolarHBondContact OE1-CD2 3.24Å; L111-H113 PolarHBondContact O-N 2.81Å; L111-H113 VanDerWaalsContact O-N 3.11Å; L111-I119 HydrophobicContact CD1-CD1 3.82Å; L111-V121 HydrophobicContact CD1-CG1 4.05Å
112	H	98.2	Very high	97.7	Very high	137 Å²	137	56.8 Å²	56.8	63%	0.634	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	91.5	169.1	-171.5	177	0	0	0	108.9	D89 N90 F91	D89-H112 WeakPolarHBondContact O-CA 3.42Å; D89-H112 PolarHBondContact O-CD2 2.84Å; N90-H112 PolarHBondContact O-NE2 3.14Å; F91-H112 AromaticContact CD2-CD2 3.75Å; F91-H112 AromaticContact CD2-CE1 3.99Å; F91-H112 AromaticContact CD2-NE2 3.73Å; F91-H112 HydrophobicContact CE2-CB 4.19Å; F91-H112 AromaticContact CE2-CG 3.91Å
113	H	98.6	Very high	97.7	Very high	46 Å²	46	57.1 Å²	57.1	21%	0.213	31%	0.311	C	S	.	.			trans	-146.1	144.2	-173.5	-171.7	85.6	0	0	0	111.6	L88 D89 N90 L111 N117 P118	L88-H113 HydrophobicContact CD1-CB 4.08Å; L88-H113 HydrophobicContact CD2-CB 4.32Å; L88-H113 VanDerWaalsContact CD2-O 3.31Å; L88-H113 WeakPolarHBondContact CD2-O 3.46Å; L88-H113 HydrophobicContact CG-CB 3.97Å; D89-H113 CarbonylContact C-O 3.56Å; D89-H113 PolarHBondContact O-N 2.81Å; D89-H113 VanDerWaalsContact O-N 3.08Å; N90-H113 PolarHBondContact N-O 2.91Å; L111-H113 PolarHBondContact O-N 2.81Å; L111-H113 VanDerWaalsContact O-N 3.11Å; H113-N117 PolarHBondContact NE2-O 3.44Å; H113-P118 PolarHBondContact CE1-O 2.8Å; H113-P118 PolarHBondContact NE2-O 2.9Å
114	D	98.4	Very high	97.9	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.171	32%	0.318	C	S	.	.			trans	-93.2	121.3	173.5	-166.6	-50.1	0	0	0	109.9	N90 T116 N117 R144	N90-D114 HydrophobicContact CB-CB 4.13Å; N90-D114 PolarHBondContact ND2-OD2 2.86Å; D114-T116 VanDerWaalsContact CG-OG1 3.26Å; D114-T116 PolarHBondContact O-N 3.1Å; D114-T116 VanDerWaalsContact OD1-CB 3.32Å; D114-T116 WeakPolarHBondContact OD1-CB 3.39Å; D114-T116 VanDerWaalsContact OD1-CG2 3.3Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.46Å; D114-T116 PolarHBondContact OD1-N 2.86Å; D114-T116 PolarHBondContact OD1-OG1 2.85Å; D114-N117 PolarHBondContact O-N 2.97Å; D114-R144 IonicContact OD2-NH2 3.85Å
115	V	98.6	Very high	98	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.036	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.5	-179.2	-68.2	0	0	0	0	113.6	T64 L88 N117 A130 G152 N155	T64-V115 HydrophobicContact CG2-CG1 3.9Å; L88-V115 HydrophobicContact CD2-CG1 3.53Å; V115-N117 PolarHBondContact O-N 2.97Å; V115-A130 HydrophobicContact CB-CB 4.49Å; V115-A130 HydrophobicContact CG1-CB 3.72Å; V115-A130 HydrophobicContact CG2-CB 3.97Å; V115-G152 WeakPolarHBondContact O-CA 3.46Å; V115-N155 PolarHBondContact O-ND2 3.44Å
116	T	98.4	Very high	98.1	Very high	33 Å²	33	55 Å²	55	20%	0.202	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.5	176.2	61.7	0	0	0	0	113.4	D114 K147 N155	D114-T116 VanDerWaalsContact CG-OG1 3.26Å; D114-T116 PolarHBondContact O-N 3.1Å; D114-T116 VanDerWaalsContact OD1-CB 3.32Å; D114-T116 WeakPolarHBondContact OD1-CB 3.39Å; D114-T116 VanDerWaalsContact OD1-CG2 3.3Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.46Å; D114-T116 PolarHBondContact OD1-N 2.86Å; D114-T116 PolarHBondContact OD1-OG1 2.85Å; T116-K147 HydrophobicContact CG2-CB 3.89Å; T116-N155 PolarHBondContact O-ND2 2.87Å
117	N	98.6	Very high	98.3	Very high	87 Å²	87	49.9 Å²	49.9	47%	0.465	25%	0.246	S	C	.	.	S	Bend	trans	-98.7	141.4	171.1	-59.6	-51.3	0	0	0	110.7	H113 D114 V115 N155	H113-N117 PolarHBondContact NE2-O 3.44Å; D114-N117 PolarHBondContact O-N 2.97Å; V115-N117 PolarHBondContact O-N 2.97Å; N117-N155 VanDerWaalsContact C-ND2 3.31Å
118	P	97.7	Very high	98.4	Very high	78 Å²	78	49.2 Å²	49.2	51%	0.506	24%	0.243	S	C	.	.			trans	-55.7	148.4	173.1	-25.1	34.6	0	0	0	112.5	H113 Y120	H113-P118 PolarHBondContact CE1-O 2.8Å; H113-P118 PolarHBondContact NE2-O 2.9Å; P118-Y120 HydrophobicContact CB-CE2 4.43Å
119	I	98.1	Very high	98.4	Very high	25 Å²	25	49.2 Å²	49.2	13%	0.128	24%	0.244	C	C	.	.			trans	-140.6	145.9	175.8	-171.7	172.7	0	0	0	110	L88 L111 V121 M156 L159	L88-I119 HydrophobicContact CD1-CD1 3.49Å; L88-I119 VanDerWaalsContact CD1-CD1 3.49Å; L111-I119 HydrophobicContact CD1-CD1 3.82Å; I119-V121 HydrophobicContact CD1-CG1 4.18Å; I119-V121 HydrophobicContact CG1-CG1 4.17Å; I119-M156 HydrophobicContact CG2-CE 3.53Å; I119-L159 HydrophobicContact CG2-CD2 4.08Å
120	Y	97.1	Very high	98.4	Very high	183 Å²	183	46.3 Å²	46.3	72%	0.718	23%	0.233	S	C	*	.			trans	-123.5	100.1	-179.1	-58.7	-87.3	0	0	0	109.5	P118	P118-Y120 HydrophobicContact CB-CE2 4.43Å
121	V	98	Very high	98.3	Very high	20 Å²	20	45.5 Å²	45.5	12%	0.121	23%	0.23	C	C	.	.			trans	-137.8	146.5	175.2	-68.2	0	0	0	0	109.4	L62 I86 L111 I119 V123 L159 R162 T163	L62-V121 HydrophobicContact CD2-CG2 4.46Å; I86-V121 HydrophobicContact CD1-CB 4.36Å; I86-V121 HydrophobicContact CD1-CG2 4.46Å; L111-V121 HydrophobicContact CD1-CG1 4.05Å; I119-V121 HydrophobicContact CD1-CG1 4.18Å; I119-V121 HydrophobicContact CG1-CG1 4.17Å; V121-V123 HydrophobicContact CG2-CG1 4.03Å; V121-L159 HydrophobicContact CG2-CD1 4.44Å; V121-L159 HydrophobicContact CG2-CD2 3.91Å; V121-L159 WeakPolarHBondContact O-CD1 3.36Å; V121-R162 PolarHBondContact O-NH2 3.29Å; V121-T163 WeakPolarHBondContact O-CG2 3.42Å
122	E	98.2	Very high	98.1	Very high	112 Å²	112	44.1 Å²	44.1	52%	0.523	22%	0.223	S	C	.	.			trans	-82.7	129.2	173	-63.2	-51	123.3	0	0	110	R60 R162	R60-E122 WeakPolarHBondContact CD-O 3.34Å; R60-E122 WeakPolarHBondContact CG-O 3.32Å; R60-E122 PolarHBondContact NE-O 3.04Å; E122-R162 IonicContact OE1-CZ 3.44Å; E122-R162 IonicContact OE1-NH1 2.72Å; E122-R162 PolarHBondContact OE1-NH1 2.74Å; E122-R162 IonicContact OE1-NH2 2.73Å; E122-R162 PolarHBondContact OE1-NH2 3.5Å
123	V	98.7	Very high	97.7	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	21%	0.206	C	C	.	.			trans	-152.9	145.6	-175.3	-68.9	0	0	0	0	111.2	R60 L62 I86 V121 I126 L159 T163 A165	R60-V123 HydrophobicContact CG-CG1 4.5Å; R60-V123 CarbonylContact O-C 3.54Å; R60-V123 WeakPolarHBondContact O-CA 3.28Å; L62-V123 HydrophobicContact CB-CG1 3.79Å; I86-V123 HydrophobicContact CD1-CG1 3.87Å; V121-V123 HydrophobicContact CG2-CG1 4.03Å; V123-I126 HydrophobicContact CG2-CD1 3.83Å; V123-I126 HydrophobicContact CG2-CG1 3.72Å; V123-L159 HydrophobicContact CG2-CD2 4.4Å; V123-L159 HydrophobicContact CG2-CG 4.43Å; V123-T163 HydrophobicContact CG2-CG2 4.37Å; V123-T163 WeakPolarHBondContact O-CB 3.3Å; V123-T163 PolarHBondContact O-OG1 3.41Å; V123-T163 VanDerWaalsContact O-OG1 3.06Å; V123-A165 HydrophobicContact CG2-CB 4.18Å; V123-A165 WeakPolarHBondContact O-CB 3.39Å
124	D	98.7	Very high	97.2	Very high	88 Å²	88	37.1 Å²	37.1	47%	0.471	20%	0.197	S	C	.	.	S	Bend	trans	-93.8	-31.6	176.3	-55.6	-59.6	0	0	0	112.1	K59 R60 A165 K166	K59-D124 VanDerWaalsContact CA-OD2 3.31Å; K59-D124 WeakPolarHBondContact CA-OD2 3.39Å; K59-D124 HydrophobicContact CB-CB 4.21Å; R60-D124 PolarHBondContact N-OD2 3.39Å; R60-D124 PolarHBondContact O-N 2.95Å; D124-A165 CarbonylContact O-C 3.59Å; D124-A165 WeakPolarHBondContact O-CA 3.28Å; D124-A165 WeakPolarHBondContact O-CB 3.25Å; D124-K166 PolarHBondContact O-N 3.4Å
125	E	98.9	Very high	96.7	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.4	179.8	-60.6	-173.6	169.3	0	0	110.8	K59 I61 L62 K166 M283	K59-E125 HydrophobicContact CD-CG 4.21Å; K59-E125 WeakPolarHBondContact CD-OE1 3.44Å; K59-E125 WeakPolarHBondContact CE-OE1 3.46Å; K59-E125 IonicContact NZ-OE1 3.93Å; K59-E125 PolarHBondContact NZ-OE1 3.04Å; K59-E125 IonicContact NZ-OE2 3.93Å; I61-E125 WeakPolarHBondContact CA-O 3.44Å; I61-E125 HydrophobicContact CG1-CB 4.24Å; I61-E125 HydrophobicContact CG2-CB 4.15Å; L62-E125 PolarHBondContact N-O 2.93Å; E125-K166 CarbonylContact C-O 3.48Å; E125-K166 WeakPolarHBondContact CA-O 3.29Å; E125-K166 HydrophobicContact CG-CB 4.24Å; E125-M283 HydrophobicContact CB-CE 4.18Å; E125-M283 HydrophobicContact CB-SD 4.49Å; E125-M283 WeakPolarHBondContact OE2-CG 3.07Å
126	I	98.9	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.1	176.8	-61.4	169.7	0	0	0	108.6	L62 V123 H128 L159 A160 A165 K166 F167 L168 M283	L62-I126 HydrophobicContact CB-CG1 4.26Å; L62-I126 HydrophobicContact CD2-CG1 4.27Å; L62-I126 HydrophobicContact CD2-CG2 4.28Å; L62-I126 CarbonylContact O-C 3.32Å; L62-I126 WeakPolarHBondContact O-CA 3.38Å; V123-I126 HydrophobicContact CG2-CD1 3.83Å; V123-I126 HydrophobicContact CG2-CG1 3.72Å; I126-H128 HydrophobicContact CG2-CB 4.45Å; I126-L159 HydrophobicContact CD1-CB 4.32Å; I126-L159 HydrophobicContact CD1-CD2 3.92Å; I126-L159 HydrophobicContact CD1-CG 3.95Å; I126-A160 HydrophobicContact CD1-CB 3.8Å; I126-A165 HydrophobicContact CD1-CB 4.16Å; I126-A165 HydrophobicContact CG1-CB 4.18Å; I126-K166 PolarHBondContact N-O 2.98Å; I126-F167 HydrophobicContact CB-CD2 3.99Å; I126-F167 HydrophobicContact CG2-CD2 3.87Å; I126-F167 HydrophobicContact CG2-CE2 3.99Å; I126-L168 PolarHBondContact O-N 3.35Å; I126-M283 WeakPolarHBondContact O-CE 3.43Å
127	Y	98.9	Very high	95.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.5	166	-70.3	-99	0	0	0	108.6	I61 L62 T64 L74 L78 L129 L168 L279 M283	I61-Y127 HydrophobicContact CG2-CD2 3.53Å; I61-Y127 HydrophobicContact CG2-CE2 3.67Å; L62-Y127 PolarHBondContact O-N 3.28Å; T64-Y127 PolarHBondContact N-O 2.86Å; L74-Y127 HydrophobicContact CD1-CD1 4.46Å; L74-Y127 HydrophobicContact CD1-CE1 4.22Å; L74-Y127 HydrophobicContact CD2-CD1 3.52Å; L74-Y127 HydrophobicContact CD2-CD2 4.37Å; L74-Y127 HydrophobicContact CD2-CE1 4.12Å; L74-Y127 HydrophobicContact CD2-CG 3.65Å; L78-Y127 HydrophobicContact CD1-CD2 4.23Å; L78-Y127 HydrophobicContact CD1-CE2 4.08Å; L78-Y127 HydrophobicContact CD2-CE2 4.27Å; Y127-L129 VanDerWaalsContact C-CD1 3.47Å; Y127-L129 WeakPolarHBondContact O-CD1 3.4Å; Y127-L129 PolarHBondContact O-N 3.17Å; Y127-L168 HydrophobicContact CD1-CB 4.21Å; Y127-L168 HydrophobicContact CD1-CD1 4.01Å; Y127-L168 HydrophobicContact CD1-CD2 4.21Å; Y127-L168 HydrophobicContact CD1-CG 4.38Å; Y127-L168 HydrophobicContact CE1-CD1 3.94Å; Y127-L279 HydrophobicContact CE1-CB 4.36Å; Y127-M283 HydrophobicContact CD1-CE 3.78Å; Y127-M283 HydrophobicContact CD2-CE 3.5Å; Y127-M283 VanDerWaalsContact CD2-CE 3.5Å; Y127-M283 HydrophobicContact CE1-CB 3.83Å; Y127-M283 HydrophobicContact CE1-CE 3.71Å; Y127-M283 HydrophobicContact CE1-CG 4.2Å; Y127-M283 HydrophobicContact CE2-CB 4.48Å; Y127-M283 HydrophobicContact CE2-CE 3.4Å; Y127-M283 VanDerWaalsContact CE2-CE 3.4Å; Y127-M283 HydrophobicContact CE2-CG 4.02Å; Y127-M283 HydrophobicContact CG-CE 3.7Å; Y127-M283 WeakPolarHBondContact OH-CB 3.45Å; Y127-M283 VanDerWaalsContact OH-CG 3.28Å; Y127-M283 WeakPolarHBondContact OH-CG 3.23Å
128	H	98.9	Very high	95.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	87.1	-177.5	-172.7	42.2	0	0	0	112	T64 I126 T153 F167 L168 F169 A170	T64-H128 VanDerWaalsContact OG1-CA 3.29Å; T64-H128 WeakPolarHBondContact OG1-CA 3.36Å; T64-H128 PolarHBondContact OG1-ND1 2.84Å; I126-H128 HydrophobicContact CG2-CB 4.45Å; H128-T153 PolarHBondContact CD2-OG1 3.22Å; H128-T153 VanDerWaalsContact NE2-CA 3.3Å; H128-T153 WeakPolarHBondContact NE2-CA 3.5Å; H128-T153 PolarHBondContact NE2-N 2.81Å; H128-T153 PolarHBondContact NE2-OG1 3.23Å; H128-F167 HydrophobicContact CB-CE2 3.57Å; H128-F167 HydrophobicContact CB-CZ 3.62Å; H128-F167 AromaticContact CD2-CZ 3.88Å; H128-L168 PolarHBondContact N-O 3.23Å; H128-F169 AromaticContact CD2-CD2 3.93Å; H128-A170 VanDerWaalsContact O-CB 3.3Å; H128-A170 WeakPolarHBondContact O-CB 3.47Å; H128-A170 PolarHBondContact O-N 3.39Å; H128-A170 VanDerWaalsContact O-N 3.14Å
129	L	98.8	Very high	94.8	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.11	19%	0.19	C	C	.	.			trans	-103.9	-6.8	180	-68.3	70.9	0	0	0	113.8	V63 T64 V70 L74 Y127 S131 A170 L279	V63-L129 HydrophobicContact CG1-CD1 4.45Å; T64-L129 CarbonylContact O-C 3.28Å; T64-L129 WeakPolarHBondContact O-CA 3.3Å; T64-L129 VanDerWaalsContact O-CB 3.29Å; T64-L129 WeakPolarHBondContact O-CB 3.49Å; T64-L129 PolarHBondContact O-N 3.39Å; T64-L129 VanDerWaalsContact O-N 3.12Å; T64-L129 PolarHBondContact OG1-N 2.85Å; V70-L129 HydrophobicContact CB-CD2 3.94Å; V70-L129 HydrophobicContact CG1-CD2 3.56Å; L74-L129 HydrophobicContact CD2-CD1 4.03Å; L74-L129 HydrophobicContact CD2-CD2 4.19Å; Y127-L129 VanDerWaalsContact C-CD1 3.47Å; Y127-L129 WeakPolarHBondContact O-CD1 3.4Å; Y127-L129 PolarHBondContact O-N 3.17Å; L129-S131 PolarHBondContact O-N 3.4Å; L129-A170 HydrophobicContact CB-CB 4.34Å; L129-A170 HydrophobicContact CD1-CB 4.4Å; L129-A170 HydrophobicContact CG-CB 3.86Å; L129-L279 HydrophobicContact CD2-CD1 4.4Å
130	A	98.3	Very high	94.4	Very high	13 Å²	13	43.5 Å²	43.5	11%	0.107	22%	0.216	C	C	.	.			trans	-62.4	108.4	-176.2	0	0	0	0	0	112	T64 V115	T64-A130 PolarHBondContact O-N 3.3Å; T64-A130 VanDerWaalsContact O-N 3.11Å; T64-A130 WeakPolarHBondContact OG1-CB 3.43Å; T64-A130 PolarHBondContact OG1-N 2.93Å; V115-A130 HydrophobicContact CB-CB 4.49Å; V115-A130 HydrophobicContact CG1-CB 3.72Å; V115-A130 HydrophobicContact CG2-CB 3.97Å
131	S	97.1	Very high	94.3	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	20%	0.197	C	C	.	.	S	Bend	trans	-170.1	137	175	-169.5	0	0	0	0	110.5	L129 A133 N149 Y201	L129-S131 PolarHBondContact O-N 3.4Å; S131-A133 PolarHBondContact O-N 3.11Å; S131-N149 WeakPolarHBondContact CB-OD1 3.35Å; S131-N149 PolarHBondContact OG-ND2 3.04Å; S131-N149 PolarHBondContact OG-OD1 2.89Å; S131-Y201 WeakPolarHBondContact OG-CE2 3.48Å
132	P	93.3	Very high	94.2	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.045	21%	0.208	C	C	.	.			trans	-62.8	113.9	158	-12.7	28.2	0	0	0	108	F92 T93 H137 Y138 Y201	F92-P132 HydrophobicContact CD1-CG 4.07Å; F92-P132 HydrophobicContact CE1-CB 4.44Å; F92-P132 HydrophobicContact CE1-CG 4.04Å; T93-P132 HydrophobicContact CG2-CB 4.46Å; P132-H137 HydrophobicContact CB-CB 4.13Å; P132-Y138 WeakPolarHBondContact O-CB 3.44Å; P132-Y201 WeakPolarHBondContact O-CD2 3.45Å; P132-Y201 WeakPolarHBondContact O-CE2 3.27Å
133	A	89.8	Confident	94.1	Very high	33 Å²	33	39.5 Å²	39.5	27%	0.273	21%	0.212	S	C	.	.			trans	-118.2	-3.6	-167.9	0	0	0	0	0	114.7	S131 Y201 R242	S131-A133 PolarHBondContact O-N 3.11Å; A133-Y201 HydrophobicContact CB-CE2 4.06Å; A133-R242 PolarHBondContact O-NH2 3.29Å
134	S	88.6	Confident	94	Very high	2 Å²	2	43 Å²	43	1%	0.014	23%	0.225	C	C	.	.	S	Bend	trans	-98.3	148	173.8	69.1	0	0	0	0	111.6	Q136 H137 Y138 D240	S134-Q136 PolarHBondContact O-N 3.41Å; S134-H137 PolarHBondContact O-N 3.03Å; S134-H137 PolarHBondContact OG-CD2 3.4Å; S134-Y138 VanDerWaalsContact C-CE1 3.46Å; S134-Y138 WeakPolarHBondContact O-CD1 3.24Å; S134-Y138 PolarHBondContact O-N 2.88Å; S134-D240 VanDerWaalsContact CB-CG 3.46Å; S134-D240 VanDerWaalsContact CB-O 3.26Å; S134-D240 WeakPolarHBondContact CB-O 3.22Å; S134-D240 WeakPolarHBondContact CB-OD1 3.38Å; S134-D240 PolarHBondContact OG-O 3.39Å; S134-D240 PolarHBondContact OG-OD1 3.08Å
135	P	86.9	Confident	93.9	Very high	35 Å²	35	38.9 Å²	38.9	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-47.8	-45.1	179.3	-30.6	36.7	0	0	0	113.7	Y138 M139	P135-Y138 VanDerWaalsContact CA-CE1 3.41Å; P135-Y138 HydrophobicContact CB-CE1 4.3Å; P135-Y138 HydrophobicContact CG-CE1 4.11Å; P135-Y138 VanDerWaalsContact N-CE1 3.35Å; P135-M139 HydrophobicContact CB-CE 3.52Å; P135-M139 WeakPolarHBondContact O-CB 3.11Å; P135-M139 WeakPolarHBondContact O-CG 3.32Å; P135-M139 PolarHBondContact O-N 3.07Å; P135-M139 VanDerWaalsContact O-N 3.15Å
136	Q	87	Confident	93.9	Very high	101 Å²	101	41.8 Å²	41.8	47%	0.472	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-47.6	177.8	-69.5	-175.7	-13.6	0	0	111.9	S134 H140 N239	S134-Q136 PolarHBondContact O-N 3.41Å; Q136-H140 WeakPolarHBondContact O-CB 3.35Å; Q136-H140 PolarHBondContact O-N 2.92Å; Q136-N239 PolarHBondContact OE1-O 2.61Å
137	H	88.1	Confident	93.9	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-75.4	-41.5	-175.5	-69.8	-46.5	0	0	0	113.9	T93 P132 S134 H140 Q237 D240	T93-H137 HydrophobicContact CG2-CB 4.01Å; P132-H137 HydrophobicContact CB-CB 4.13Å; S134-H137 PolarHBondContact O-N 3.03Å; S134-H137 PolarHBondContact OG-CD2 3.4Å; H137-H140 PolarHBondContact O-N 3.21Å; H137-Q237 PolarHBondContact CE1-OE1 3.44Å; H137-Q237 PolarHBondContact NE2-OE1 3.3Å; H137-D240 IonicContact CD2-OD1 3.29Å
138	Y	88.3	Confident	93.8	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-74.4	-30	-177.9	68.1	-123.5	0	0	0	112.6	P132 S134 P135 N141 P142 T145 R198 Y201	P132-Y138 WeakPolarHBondContact O-CB 3.44Å; S134-Y138 VanDerWaalsContact C-CE1 3.46Å; S134-Y138 WeakPolarHBondContact O-CD1 3.24Å; S134-Y138 PolarHBondContact O-N 2.88Å; P135-Y138 VanDerWaalsContact CA-CE1 3.41Å; P135-Y138 HydrophobicContact CB-CE1 4.3Å; P135-Y138 HydrophobicContact CG-CE1 4.11Å; P135-Y138 VanDerWaalsContact N-CE1 3.35Å; Y138-N141 CarbonylContact O-C 3.48Å; Y138-P142 WeakPolarHBondContact O-CA 3.22Å; Y138-T145 VanDerWaalsContact CA-OG1 3.27Å; Y138-T145 WeakPolarHBondContact CA-OG1 3.07Å; Y138-T145 PolarHBondContact O-OG1 3.36Å; Y138-R198 HydrophobicContact CE2-CB 4.36Å; Y138-R198 HydrophobicContact CE2-CG 4.4Å; Y138-R198 PolarHBondContact OH-NE 3.04Å; Y138-R198 PolarHBondContact OH-NH2 3.44Å; Y138-Y201 HydrophobicContact CD1-CD1 4.02Å; Y138-Y201 AromaticContact CD1-CD2 3.87Å; Y138-Y201 HydrophobicContact CD1-CD2 3.87Å; Y138-Y201 HydrophobicContact CD1-CE2 4.49Å; Y138-Y201 AromaticContact CD1-CG 3.62Å; Y138-Y201 HydrophobicContact CD1-CG 3.62Å; Y138-Y201 HydrophobicContact CD2-CG 4.5Å; Y138-Y201 AromaticContact CE1-CD1 3.89Å; Y138-Y201 HydrophobicContact CE1-CD1 3.89Å; Y138-Y201 HydrophobicContact CE1-CE1 4.48Å; Y138-Y201 AromaticContact CE1-CG 3.93Å; Y138-Y201 HydrophobicContact CE1-CG 3.93Å; Y138-Y201 HydrophobicContact CG-CD2 4.2Å; Y138-Y201 AromaticContact CG-CG 3.97Å; Y138-Y201 HydrophobicContact CG-CG 3.97Å
139	M	89.4	Confident	93.8	Very high	73 Å²	73	47.2 Å²	47.2	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-81.3	-24.7	174.2	-62.9	-168.8	-122.6	0	0	112.5	P135 N141 P142 P197 R198	P135-M139 HydrophobicContact CB-CE 3.52Å; P135-M139 WeakPolarHBondContact O-CB 3.11Å; P135-M139 WeakPolarHBondContact O-CG 3.32Å; P135-M139 PolarHBondContact O-N 3.07Å; P135-M139 VanDerWaalsContact O-N 3.15Å; M139-N141 VanDerWaalsContact C-N 3.28Å; M139-N141 PolarHBondContact O-N 3.38Å; M139-P142 WeakPolarHBondContact O-CD 3.4Å; M139-P197 HydrophobicContact SD-CB 4.39Å; M139-R198 HydrophobicContact CE-CG 4.02Å
140	H	91	Very high	93.8	Very high	144 Å²	144	47.4 Å²	47.4	67%	0.667	25%	0.245	S	C	*	.	H	α-helix	trans	-59.8	-38.9	175.8	178.4	75	0	0	0	112.3	Q136 H137	Q136-H140 WeakPolarHBondContact O-CB 3.35Å; Q136-H140 PolarHBondContact O-N 2.92Å; H137-H140 PolarHBondContact O-N 3.21Å
141	N	93.9	Very high	93.8	Very high	61 Å²	61	50.6 Å²	50.6	33%	0.326	26%	0.26	S	S	.	.	S	Bend	trans	-140.9	84.3	173	-167.7	-34.3	0	0	0	111.5	Y138 M139 I143 R144 T145	Y138-N141 CarbonylContact O-C 3.48Å; M139-N141 VanDerWaalsContact C-N 3.28Å; M139-N141 PolarHBondContact O-N 3.38Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.46Å; N141-R144 HydrophobicContact CB-CB 4.01Å; N141-R144 PolarHBondContact O-N 3.31Å; N141-R144 VanDerWaalsContact O-N 3.15Å; N141-R144 WeakPolarHBondContact OD1-CB 3.3Å; N141-R144 PolarHBondContact OD1-N 2.95Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 VanDerWaalsContact O-N 3.09Å; N141-T145 PolarHBondContact O-OG1 2.85Å
142	P	96.2	Very high	93.9	Very high	54 Å²	54	49.7 Å²	49.7	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-37.5	-176	-27.2	37.5	0	0	0	113.2	Y138 M139 T145 I146 C200	Y138-P142 WeakPolarHBondContact O-CA 3.22Å; M139-P142 WeakPolarHBondContact O-CD 3.4Å; P142-T145 WeakPolarHBondContact O-CB 3.46Å; P142-T145 PolarHBondContact O-N 3.32Å; P142-I146 VanDerWaalsContact O-CG1 3.28Å; P142-I146 WeakPolarHBondContact O-CG1 3.05Å; P142-I146 PolarHBondContact O-N 3.34Å; P142-C200 HydrophobicContact CB-CB 3.66Å
143	I	96.8	Very high	94.2	Very high	116 Å²	116	49.3 Å²	49.3	60%	0.595	25%	0.251	S	S	*	.	H	α-helix	trans	-65	-42.6	179.5	-62.2	174.2	0	0	0	110.6	N141 I146 K147	N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.46Å; I143-I146 PolarHBondContact O-N 3.49Å; I143-K147 HydrophobicContact CG2-CD 4.43Å; I143-K147 WeakPolarHBondContact O-CG 3.4Å; I143-K147 PolarHBondContact O-N 3.44Å
144	R	95.8	Very high	94.6	Very high	81 Å²	81	51.3 Å²	51.3	31%	0.306	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-41.2	177.4	-172	175.5	-173.3	160.5	2.6	111.4	N90 F92 D114 N141 K147 A148	N90-R144 PolarHBondContact ND2-NH2 2.84Å; N90-R144 VanDerWaalsContact ND2-NH2 3.12Å; F92-R144 VanDerWaalsContact CG-CZ 3.43Å; D114-R144 IonicContact OD2-NH2 3.85Å; N141-R144 HydrophobicContact CB-CB 4.01Å; N141-R144 PolarHBondContact O-N 3.31Å; N141-R144 VanDerWaalsContact O-N 3.15Å; N141-R144 WeakPolarHBondContact OD1-CB 3.3Å; N141-R144 PolarHBondContact OD1-N 2.95Å; R144-K147 PolarHBondContact O-N 3.33Å; R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.58Å
145	T	97.5	Very high	95.1	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-51.3	173.1	-56.1	0	0	0	0	111.1	Y138 N141 P142 K147 A148 N149 Y201	Y138-T145 VanDerWaalsContact CA-OG1 3.27Å; Y138-T145 WeakPolarHBondContact CA-OG1 3.07Å; Y138-T145 PolarHBondContact O-OG1 3.36Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 VanDerWaalsContact O-N 3.09Å; N141-T145 PolarHBondContact O-OG1 2.85Å; P142-T145 WeakPolarHBondContact O-CB 3.46Å; P142-T145 PolarHBondContact O-N 3.32Å; T145-K147 PolarHBondContact O-N 3Å; T145-A148 PolarHBondContact O-N 2.86Å; T145-N149 WeakPolarHBondContact O-CB 3.48Å; T145-N149 PolarHBondContact O-N 3.5Å; T145-Y201 HydrophobicContact CG2-CD2 3.98Å
146	I	98.2	Very high	95.6	Very high	71 Å²	71	51.3 Å²	51.3	36%	0.364	26%	0.255	S	S	.	.	H	α-helix	trans	-57.3	-49.5	178.2	-69.5	162.9	0	0	0	109.9	P142 I143 A148 N149 T150 C200	P142-I146 VanDerWaalsContact O-CG1 3.28Å; P142-I146 WeakPolarHBondContact O-CG1 3.05Å; P142-I146 PolarHBondContact O-N 3.34Å; I143-I146 PolarHBondContact O-N 3.49Å; I146-A148 PolarHBondContact O-N 3.39Å; I146-N149 PolarHBondContact O-N 2.92Å; I146-T150 HydrophobicContact CG2-CG2 4.19Å; I146-T150 VanDerWaalsContact O-CB 3.3Å; I146-T150 WeakPolarHBondContact O-CB 3.47Å; I146-T150 VanDerWaalsContact O-CG2 3.3Å; I146-T150 WeakPolarHBondContact O-CG2 3.07Å; I146-T150 PolarHBondContact O-N 3.15Å; I146-T150 PolarHBondContact O-OG1 3Å; I146-C200 HydrophobicContact CD1-CB 3.95Å; I146-C200 HydrophobicContact CG1-CB 3.91Å
147	K	98.3	Very high	96.2	Very high	106 Å²	106	46.5 Å²	46.5	46%	0.461	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-45.4	179.8	-73.9	-178.4	175.6	-176.5	0	112.4	T116 I143 R144 T145 N149 T150 L151 G152	T116-K147 HydrophobicContact CG2-CB 3.89Å; I143-K147 HydrophobicContact CG2-CD 4.43Å; I143-K147 WeakPolarHBondContact O-CG 3.4Å; I143-K147 PolarHBondContact O-N 3.44Å; R144-K147 PolarHBondContact O-N 3.33Å; T145-K147 PolarHBondContact O-N 3Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.11Å; K147-T150 PolarHBondContact O-N 3.36Å; K147-L151 HydrophobicContact CB-CD1 4.39Å; K147-L151 HydrophobicContact CG-CD1 4.16Å; K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 PolarHBondContact O-N 2.96Å; K147-G152 PolarHBondContact O-N 3.21Å
148	A	98.2	Very high	96.7	Very high	11 Å²	11	46 Å²	46	9%	0.091	24%	0.239	C	C	.	.	I	π-helix	trans	-61	-43.7	178.6	0	0	0	0	0	111.8	R144 T145 I146 G152	R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.58Å; T145-A148 PolarHBondContact O-N 2.86Å; I146-A148 PolarHBondContact O-N 3.39Å; A148-G152 WeakPolarHBondContact O-CA 3.27Å; A148-G152 PolarHBondContact O-N 3.35Å
149	N	98.6	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-80	-13.1	-179.1	-70.2	-15.5	0	0	0	114.1	S131 T145 I146 K147 T153 S204	S131-N149 WeakPolarHBondContact CB-OD1 3.35Å; S131-N149 PolarHBondContact OG-ND2 3.04Å; S131-N149 PolarHBondContact OG-OD1 2.89Å; T145-N149 WeakPolarHBondContact O-CB 3.48Å; T145-N149 PolarHBondContact O-N 3.5Å; I146-N149 PolarHBondContact O-N 2.92Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.11Å; N149-T153 WeakPolarHBondContact O-CB 3.35Å; N149-T153 PolarHBondContact O-OG1 3.49Å; N149-T153 VanDerWaalsContact O-OG1 3.04Å; N149-S204 VanDerWaalsContact CB-OG 3.25Å; N149-S204 WeakPolarHBondContact CB-OG 3.5Å; N149-S204 PolarHBondContact ND2-OG 2.93Å
150	T	98.5	Very high	97.6	Very high	25 Å²	25	42.8 Å²	42.8	15%	0.153	22%	0.223	C	C	.	.	I	π-helix	trans	-110.1	-74.6	179.7	57.4	0	0	0	0	111.5	I146 K147 G152 T153 L154 L207	I146-T150 HydrophobicContact CG2-CG2 4.19Å; I146-T150 VanDerWaalsContact O-CB 3.3Å; I146-T150 WeakPolarHBondContact O-CB 3.47Å; I146-T150 VanDerWaalsContact O-CG2 3.3Å; I146-T150 WeakPolarHBondContact O-CG2 3.07Å; I146-T150 PolarHBondContact O-N 3.15Å; I146-T150 PolarHBondContact O-OG1 3Å; K147-T150 PolarHBondContact O-N 3.36Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 2.87Å; T150-T153 PolarHBondContact O-N 3.42Å; T150-L154 WeakPolarHBondContact O-CB 3.29Å; T150-L154 PolarHBondContact O-N 2.99Å; T150-L207 HydrophobicContact CG2-CD2 3.83Å
151	L	98.6	Very high	98	Very high	80 Å²	80	41.5 Å²	41.5	42%	0.419	21%	0.212	S	C	.	.	I	π-helix	trans	-58.8	-41.2	177.4	-59.4	178.8	0	0	0	111.4	K147 L154 N155	K147-L151 HydrophobicContact CB-CD1 4.39Å; K147-L151 HydrophobicContact CG-CD1 4.16Å; K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 PolarHBondContact O-N 2.96Å; L151-L154 PolarHBondContact O-N 3.09Å; L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 VanDerWaalsContact O-CG 3.26Å; L151-N155 PolarHBondContact O-N 3.12Å; L151-N155 PolarHBondContact O-ND2 3.31Å
152	G	98.7	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-60.5	-47.1	176.3	0	0	0	0	0	112.9	V115 K147 A148 T150 N155 M156	V115-G152 WeakPolarHBondContact O-CA 3.46Å; K147-G152 PolarHBondContact O-N 3.21Å; A148-G152 WeakPolarHBondContact O-CA 3.27Å; A148-G152 PolarHBondContact O-N 3.35Å; T150-G152 VanDerWaalsContact C-N 3.28Å; T150-G152 PolarHBondContact O-N 2.87Å; G152-N155 PolarHBondContact O-N 3.37Å; G152-M156 WeakPolarHBondContact O-CG 3.43Å; G152-M156 PolarHBondContact O-N 3.12Å; G152-M156 VanDerWaalsContact O-N 3.09Å
153	T	98.8	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-40.4	176.1	-59	0	0	0	0	112.1	H128 N149 T150 M156 L157 F167 F169 M211	H128-T153 PolarHBondContact CD2-OG1 3.22Å; H128-T153 VanDerWaalsContact NE2-CA 3.3Å; H128-T153 WeakPolarHBondContact NE2-CA 3.5Å; H128-T153 PolarHBondContact NE2-N 2.81Å; H128-T153 PolarHBondContact NE2-OG1 3.23Å; N149-T153 WeakPolarHBondContact O-CB 3.35Å; N149-T153 PolarHBondContact O-OG1 3.49Å; N149-T153 VanDerWaalsContact O-OG1 3.04Å; T150-T153 PolarHBondContact O-N 3.42Å; T153-M156 PolarHBondContact O-N 3.14Å; T153-L157 HydrophobicContact CG2-CD1 3.89Å; T153-L157 HydrophobicContact CG2-CG 4.33Å; T153-L157 WeakPolarHBondContact O-CB 3.44Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.29Å; T153-L157 PolarHBondContact O-N 3.28Å; T153-F167 HydrophobicContact CG2-CZ 4.47Å; T153-F169 HydrophobicContact CG2-CD2 4.04Å; T153-F169 HydrophobicContact CG2-CE2 3.88Å; T153-M211 HydrophobicContact CG2-CE 3.82Å
154	L	98.6	Very high	98.3	Very high	74 Å²	74	42.4 Å²	42.4	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-44.2	176.8	-173.9	64.8	0	0	0	112	T150 L151 M156 L157 G158 Y215	T150-L154 WeakPolarHBondContact O-CB 3.29Å; T150-L154 PolarHBondContact O-N 2.99Å; L151-L154 PolarHBondContact O-N 3.09Å; L154-M156 PolarHBondContact O-N 3.29Å; L154-L157 PolarHBondContact O-N 3.06Å; L154-G158 PolarHBondContact O-N 2.86Å; L154-Y215 HydrophobicContact CD1-CE2 4.15Å
155	N	98.8	Very high	98.4	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-42.7	176.4	-73	-25.8	0	0	0	111.5	V115 T116 N117 L151 G152 G158 L159	V115-N155 PolarHBondContact O-ND2 3.44Å; T116-N155 PolarHBondContact O-ND2 2.87Å; N117-N155 VanDerWaalsContact C-ND2 3.31Å; L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 VanDerWaalsContact O-CG 3.26Å; L151-N155 PolarHBondContact O-N 3.12Å; L151-N155 PolarHBondContact O-ND2 3.31Å; G152-N155 PolarHBondContact O-N 3.37Å; N155-G158 PolarHBondContact O-N 3.22Å; N155-L159 WeakPolarHBondContact O-CB 3.46Å; N155-L159 PolarHBondContact O-N 3.28Å
156	M	98.9	Very high	98.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-71.6	-34.8	179	-63.4	-55.5	93.3	0	0	113	L62 T64 I119 G152 T153 L154 L159 A160 F167	L62-M156 HydrophobicContact CD2-SD 3.96Å; T64-M156 HydrophobicContact CG2-CG 4.01Å; T64-M156 HydrophobicContact CG2-SD 3.52Å; T64-M156 VanDerWaalsContact CG2-SD 3.52Å; I119-M156 HydrophobicContact CG2-CE 3.53Å; G152-M156 WeakPolarHBondContact O-CG 3.43Å; G152-M156 PolarHBondContact O-N 3.12Å; G152-M156 VanDerWaalsContact O-N 3.09Å; T153-M156 PolarHBondContact O-N 3.14Å; L154-M156 PolarHBondContact O-N 3.29Å; M156-L159 HydrophobicContact CE-CD2 4.48Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD2 4.32Å; M156-A160 WeakPolarHBondContact O-CB 3.32Å; M156-A160 PolarHBondContact O-N 2.94Å; M156-F167 HydrophobicContact CB-CE2 3.68Å; M156-F167 HydrophobicContact CB-CZ 4.37Å
157	L	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-40.9	171.3	-75.1	167.8	0	0	0	111.4	T153 L154 A160 R161 F167 M211 Y215 L221	T153-L157 HydrophobicContact CG2-CD1 3.89Å; T153-L157 HydrophobicContact CG2-CG 4.33Å; T153-L157 WeakPolarHBondContact O-CB 3.44Å; T153-L157 VanDerWaalsContact O-CG 3.3Å; T153-L157 WeakPolarHBondContact O-CG 3.29Å; T153-L157 PolarHBondContact O-N 3.28Å; L154-L157 PolarHBondContact O-N 3.06Å; L157-A160 PolarHBondContact O-N 2.84Å; L157-R161 WeakPolarHBondContact O-CB 3.28Å; L157-R161 PolarHBondContact O-N 2.83Å; L157-F167 HydrophobicContact CD2-CD1 3.53Å; L157-F167 HydrophobicContact CD2-CE1 3.47Å; L157-F167 VanDerWaalsContact CD2-CE1 3.47Å; L157-F167 HydrophobicContact CD2-CG 4.07Å; L157-F167 HydrophobicContact CD2-CZ 4.01Å; L157-F167 HydrophobicContact CG-CD1 4.47Å; L157-F167 HydrophobicContact CG-CE1 3.99Å; L157-F167 HydrophobicContact CG-CZ 4.08Å; L157-M211 HydrophobicContact CD1-CB 3.8Å; L157-Y215 HydrophobicContact CB-CD1 3.94Å; L157-Y215 HydrophobicContact CB-CD2 4.1Å; L157-Y215 HydrophobicContact CB-CE1 3.78Å; L157-Y215 HydrophobicContact CB-CE2 3.93Å; L157-Y215 HydrophobicContact CB-CG 4.1Å; L157-Y215 HydrophobicContact CD1-CD2 3.86Å; L157-Y215 HydrophobicContact CD1-CE2 4.05Å; L157-Y215 HydrophobicContact CD1-CG 4.37Å; L157-Y215 HydrophobicContact CD2-CD1 4.48Å; L157-Y215 HydrophobicContact CD2-CD2 4.44Å; L157-Y215 HydrophobicContact CD2-CG 4.12Å; L157-Y215 HydrophobicContact CG-CD2 4.37Å; L157-Y215 HydrophobicContact CG-CG 4.44Å; L157-L221 HydrophobicContact CD2-CD2 3.74Å
158	G	98.4	Very high	98.5	Very high	31 Å²	31	32.1 Å²	32.1	32%	0.32	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-45.6	173	0	0	0	0	0	112.5	L154 N155 R161 R162	L154-G158 PolarHBondContact O-N 2.86Å; N155-G158 PolarHBondContact O-N 3.22Å; G158-R161 PolarHBondContact O-N 3.45Å; G158-R162 WeakPolarHBondContact O-CB 3.31Å; G158-R162 PolarHBondContact O-N 3.22Å
159	L	98.7	Very high	98.6	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-50	174	178.5	63.1	0	0	0	111.5	L62 I119 V121 V123 I126 N155 M156 R161 R162 T163	L62-L159 HydrophobicContact CD2-CD2 3.67Å; I119-L159 HydrophobicContact CG2-CD2 4.08Å; V121-L159 HydrophobicContact CG2-CD1 4.44Å; V121-L159 HydrophobicContact CG2-CD2 3.91Å; V121-L159 WeakPolarHBondContact O-CD1 3.36Å; V123-L159 HydrophobicContact CG2-CD2 4.4Å; V123-L159 HydrophobicContact CG2-CG 4.43Å; I126-L159 HydrophobicContact CD1-CB 4.32Å; I126-L159 HydrophobicContact CD1-CD2 3.92Å; I126-L159 HydrophobicContact CD1-CG 3.95Å; N155-L159 WeakPolarHBondContact O-CB 3.46Å; N155-L159 PolarHBondContact O-N 3.28Å; M156-L159 HydrophobicContact CE-CD2 4.48Å; M156-L159 PolarHBondContact O-N 3.49Å; M156-L159 HydrophobicContact SD-CD2 4.32Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 3.01Å; L159-R162 VanDerWaalsContact CD1-NH2 3.33Å; L159-R162 WeakPolarHBondContact O-CB 3.3Å; L159-R162 PolarHBondContact O-N 2.8Å; L159-R162 VanDerWaalsContact O-N 3.07Å; L159-T163 HydrophobicContact CD1-CG2 4.1Å; L159-T163 PolarHBondContact O-N 3.01Å; L159-T163 PolarHBondContact O-OG1 3.41Å
160	A	98.7	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.5	-43	179.4	0	0	0	0	0	111.5	I126 M156 L157 R162 N164 A165 F167 L221	I126-A160 HydrophobicContact CD1-CB 3.8Å; M156-A160 WeakPolarHBondContact O-CB 3.32Å; M156-A160 PolarHBondContact O-N 2.94Å; L157-A160 PolarHBondContact O-N 2.84Å; A160-R162 PolarHBondContact O-N 2.96Å; A160-N164 CarbonylContact O-C 3.58Å; A160-N164 VanDerWaalsContact O-CA 3.28Å; A160-N164 WeakPolarHBondContact O-CA 3.44Å; A160-N164 PolarHBondContact O-N 3.3Å; A160-A165 HydrophobicContact CB-CB 4.42Å; A160-A165 PolarHBondContact O-N 3.32Å; A160-F167 HydrophobicContact CB-CB 3.99Å; A160-F167 HydrophobicContact CB-CD2 4.14Å; A160-F167 HydrophobicContact CB-CG 4.38Å; A160-L221 HydrophobicContact CB-CD1 3.81Å; A160-L221 HydrophobicContact CB-CD2 3.98Å; A160-L221 HydrophobicContact CB-CG 4.47Å
161	R	98.2	Very high	98.6	Very high	116 Å²	116	30.8 Å²	30.8	44%	0.438	15%	0.154	S	C	.	.	H	α-helix	trans	-66.6	-37.2	178	179	58.4	-176.3	86.8	-2.5	112.7	L157 G158 L159 Y215 L219 L221	L157-R161 WeakPolarHBondContact O-CB 3.28Å; L157-R161 PolarHBondContact O-N 2.83Å; G158-R161 PolarHBondContact O-N 3.45Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 3.01Å; R161-Y215 HydrophobicContact CB-CD1 4.44Å; R161-Y215 HydrophobicContact CB-CE1 4.33Å; R161-L219 HydrophobicContact CG-CD1 4.37Å; R161-L221 HydrophobicContact CB-CD1 4.36Å
162	R	98	Very high	98.5	Very high	108 Å²	108	27.4 Å²	27.4	41%	0.408	14%	0.137	S	C	.	.	H	α-helix	trans	-67.4	-41.9	179.6	-174.3	-174	67.5	77.7	3.2	111.6	V121 E122 G158 L159 A160	V121-R162 PolarHBondContact O-NH2 3.29Å; E122-R162 IonicContact OE1-CZ 3.44Å; E122-R162 IonicContact OE1-NH1 2.72Å; E122-R162 PolarHBondContact OE1-NH1 2.74Å; E122-R162 IonicContact OE1-NH2 2.73Å; E122-R162 PolarHBondContact OE1-NH2 3.5Å; G158-R162 WeakPolarHBondContact O-CB 3.31Å; G158-R162 PolarHBondContact O-N 3.22Å; L159-R162 VanDerWaalsContact CD1-NH2 3.33Å; L159-R162 WeakPolarHBondContact O-CB 3.3Å; L159-R162 PolarHBondContact O-N 2.8Å; L159-R162 VanDerWaalsContact O-N 3.07Å; A160-R162 PolarHBondContact O-N 2.96Å
163	T	98.3	Very high	98.4	Very high	23 Å²	23	27.5 Å²	27.5	14%	0.141	14%	0.137	C	C	.	.	H	α-helix	trans	-94.4	-1.1	-178.1	65.6	0	0	0	0	113.5	V121 V123 L159 A165	V121-T163 WeakPolarHBondContact O-CG2 3.42Å; V123-T163 HydrophobicContact CG2-CG2 4.37Å; V123-T163 WeakPolarHBondContact O-CB 3.3Å; V123-T163 PolarHBondContact O-OG1 3.41Å; V123-T163 VanDerWaalsContact O-OG1 3.06Å; L159-T163 HydrophobicContact CD1-CG2 4.1Å; L159-T163 PolarHBondContact O-N 3.01Å; L159-T163 PolarHBondContact O-OG1 3.41Å; T163-A165 PolarHBondContact O-N 2.83Å; T163-A165 WeakPolarHBondContact OG1-CB 3.45Å
164	N	97.5	Very high	98.2	Very high	120 Å²	120	28.3 Å²	28.3	64%	0.642	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	31.6	-171.7	-164.7	48.2	0	0	0	113.1	A160	A160-N164 CarbonylContact O-C 3.58Å; A160-N164 VanDerWaalsContact O-CA 3.28Å; A160-N164 WeakPolarHBondContact O-CA 3.44Å; A160-N164 PolarHBondContact O-N 3.3Å
165	A	98.6	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.			trans	-74.4	148	179.9	0	0	0	0	0	112.3	V123 D124 I126 A160 T163	V123-A165 HydrophobicContact CG2-CB 4.18Å; V123-A165 WeakPolarHBondContact O-CB 3.39Å; D124-A165 CarbonylContact O-C 3.59Å; D124-A165 WeakPolarHBondContact O-CA 3.28Å; D124-A165 WeakPolarHBondContact O-CB 3.25Å; I126-A165 HydrophobicContact CD1-CB 4.16Å; I126-A165 HydrophobicContact CG1-CB 4.18Å; A160-A165 HydrophobicContact CB-CB 4.42Å; A160-A165 PolarHBondContact O-N 3.32Å; T163-A165 PolarHBondContact O-N 2.83Å; T163-A165 WeakPolarHBondContact OG1-CB 3.45Å
166	K	98.7	Very high	98	Very high	43 Å²	43	23.4 Å²	23.4	19%	0.187	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.2	164.8	-166.5	-174.8	-68.3	163.5	0	109.7	D124 E125 I126 P222 R224 M283	D124-K166 PolarHBondContact O-N 3.4Å; E125-K166 CarbonylContact C-O 3.48Å; E125-K166 WeakPolarHBondContact CA-O 3.29Å; E125-K166 HydrophobicContact CG-CB 4.24Å; I126-K166 PolarHBondContact N-O 2.98Å; K166-P222 WeakPolarHBondContact CA-O 3.3Å; K166-P222 HydrophobicContact CB-CG 4.45Å; K166-P222 HydrophobicContact CG-CB 4.27Å; K166-R224 HydrophobicContact CD-CG 4.48Å; K166-M283 HydrophobicContact CB-SD 4.08Å; K166-M283 HydrophobicContact CD-CG 4.11Å; K166-M283 WeakPolarHBondContact CD-O 3.43Å; K166-M283 HydrophobicContact CD-SD 3.41Å; K166-M283 WeakPolarHBondContact CD-SD 3.2Å; K166-M283 WeakPolarHBondContact CE-O 3.42Å; K166-M283 HydrophobicContact CG-SD 3.66Å; K166-M283 PolarHBondContact NZ-O 2.92Å
167	F	98.9	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.1	-173.8	-179.2	-100.1	0	0	0	111.3	I126 H128 T153 M156 L157 A160 F169 T212 L221 P222 V223 R224	I126-F167 HydrophobicContact CB-CD2 3.99Å; I126-F167 HydrophobicContact CG2-CD2 3.87Å; I126-F167 HydrophobicContact CG2-CE2 3.99Å; H128-F167 HydrophobicContact CB-CE2 3.57Å; H128-F167 HydrophobicContact CB-CZ 3.62Å; H128-F167 AromaticContact CD2-CZ 3.88Å; T153-F167 HydrophobicContact CG2-CZ 4.47Å; M156-F167 HydrophobicContact CB-CE2 3.68Å; M156-F167 HydrophobicContact CB-CZ 4.37Å; L157-F167 HydrophobicContact CD2-CD1 3.53Å; L157-F167 HydrophobicContact CD2-CE1 3.47Å; L157-F167 VanDerWaalsContact CD2-CE1 3.47Å; L157-F167 HydrophobicContact CD2-CG 4.07Å; L157-F167 HydrophobicContact CD2-CZ 4.01Å; L157-F167 HydrophobicContact CG-CD1 4.47Å; L157-F167 HydrophobicContact CG-CE1 3.99Å; L157-F167 HydrophobicContact CG-CZ 4.08Å; A160-F167 HydrophobicContact CB-CB 3.99Å; A160-F167 HydrophobicContact CB-CD2 4.14Å; A160-F167 HydrophobicContact CB-CG 4.38Å; F167-F169 HydrophobicContact CE1-CB 3.83Å; F167-F169 HydrophobicContact CE1-CD2 4.4Å; F167-F169 HydrophobicContact CZ-CD2 4.47Å; F167-T212 HydrophobicContact CD1-CG2 4.1Å; F167-T212 HydrophobicContact CE1-CG2 4.2Å; F167-L221 HydrophobicContact CB-CD2 4.2Å; F167-P222 PolarHBondContact N-O 2.91Å; F167-V223 HydrophobicContact CD1-CG1 4.45Å; F167-V223 CarbonylContact O-C 3.6Å; F167-V223 VanDerWaalsContact O-CA 3.22Å; F167-V223 WeakPolarHBondContact O-CA 3.32Å; F167-R224 PolarHBondContact O-N 3.48Å
168	L	98.9	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.5	170	-173.1	153.7	0	0	0	110	I126 Y127 H128 R224 A226 L279 L282 M283	I126-L168 PolarHBondContact O-N 3.35Å; Y127-L168 HydrophobicContact CD1-CB 4.21Å; Y127-L168 HydrophobicContact CD1-CD1 4.01Å; Y127-L168 HydrophobicContact CD1-CD2 4.21Å; Y127-L168 HydrophobicContact CD1-CG 4.38Å; Y127-L168 HydrophobicContact CE1-CD1 3.94Å; H128-L168 PolarHBondContact N-O 3.23Å; L168-R224 CarbonylContact C-O 3.48Å; L168-R224 WeakPolarHBondContact CA-O 3.39Å; L168-R224 HydrophobicContact CB-CB 4.02Å; L168-R224 HydrophobicContact CD1-CB 4.07Å; L168-R224 HydrophobicContact CG-CB 3.91Å; L168-A226 HydrophobicContact CD2-CB 4.37Å; L168-L279 HydrophobicContact CD1-CD2 4.39Å; L168-L279 HydrophobicContact CD2-CD2 3.99Å; L168-L282 HydrophobicContact CD1-CB 4.4Å; L168-L282 HydrophobicContact CD1-CD2 4.15Å; L168-L282 HydrophobicContact CD1-CG 4.33Å; L168-M283 HydrophobicContact CB-CE 3.32Å; L168-M283 HydrophobicContact CB-SD 4.06Å; L168-M283 HydrophobicContact CD1-CB 4.22Å; L168-M283 HydrophobicContact CD1-CE 4.35Å; L168-M283 HydrophobicContact CG-CE 4.47Å
169	F	98.9	Very high	96.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.4	170.8	-175.8	-115.5	0	0	0	110.4	H128 T153 F167 S171 K205 E209 T212 R224 V225 A226	H128-F169 AromaticContact CD2-CD2 3.93Å; T153-F169 HydrophobicContact CG2-CD2 4.04Å; T153-F169 HydrophobicContact CG2-CE2 3.88Å; F167-F169 HydrophobicContact CE1-CB 3.83Å; F167-F169 HydrophobicContact CE1-CD2 4.4Å; F167-F169 HydrophobicContact CZ-CD2 4.47Å; F169-S171 VanDerWaalsContact C-N 3.35Å; F169-S171 PolarHBondContact O-N 3.47Å; F169-K205 HydrophobicContact CE1-CD 4.41Å; F169-K205 HydrophobicContact CZ-CD 3.82Å; F169-E209 HydrophobicContact CD1-CG 4.13Å; F169-E209 HydrophobicContact CE1-CG 3.98Å; F169-T212 HydrophobicContact CB-CG2 4.36Å; F169-R224 PolarHBondContact N-O 3.04Å; F169-V225 HydrophobicContact CB-CG2 4.37Å; F169-V225 HydrophobicContact CD1-CG1 4.41Å; F169-A226 PolarHBondContact O-N 3.34Å
170	A	98.7	Very high	96.6	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	88.3	169.5	0	0	0	0	0	109.6	H128 L129 K205 I228	H128-A170 VanDerWaalsContact O-CB 3.3Å; H128-A170 WeakPolarHBondContact O-CB 3.47Å; H128-A170 PolarHBondContact O-N 3.39Å; H128-A170 VanDerWaalsContact O-N 3.14Å; L129-A170 HydrophobicContact CB-CB 4.34Å; L129-A170 HydrophobicContact CD1-CB 4.4Å; L129-A170 HydrophobicContact CG-CB 3.86Å; A170-K205 PolarHBondContact O-NZ 3.37Å; A170-I228 HydrophobicContact CB-CD1 3.98Å
171	S	98.5	Very high	96.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-170.2	167.5	-163.8	0	0	0	0	110.3	F169 E209 A226 I228	F169-S171 VanDerWaalsContact C-N 3.35Å; F169-S171 PolarHBondContact O-N 3.47Å; S171-E209 VanDerWaalsContact CB-OE1 3.24Å; S171-E209 WeakPolarHBondContact CB-OE1 3.45Å; S171-E209 PolarHBondContact OG-OE1 3.38Å; S171-A226 CarbonylContact C-O 3.55Å; S171-A226 VanDerWaalsContact CA-O 3.22Å; S171-A226 WeakPolarHBondContact CA-O 3.41Å; S171-A226 VanDerWaalsContact CB-O 3.3Å; S171-A226 WeakPolarHBondContact CB-O 3.2Å; S171-A226 PolarHBondContact N-O 2.83Å; S171-A226 VanDerWaalsContact O-O 3.14Å; S171-I228 PolarHBondContact O-N 3.01Å
172	T	97.5	Very high	96.2	Very high	10 Å²	10	34.2 Å²	34.2	6%	0.061	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.8	-168.9	-175	0	0	0	0	111.1	E174 I175 Y201 K205 I228	T172-E174 HydrophobicContact CG2-CB 3.79Å; T172-E174 HydrophobicContact CG2-CG 4.25Å; T172-E174 PolarHBondContact O-N 2.87Å; T172-E174 PolarHBondContact OG1-N 3.33Å; T172-I175 HydrophobicContact CG2-CG2 3.94Å; T172-I175 WeakPolarHBondContact O-CG1 3.21Å; T172-I175 WeakPolarHBondContact O-CG2 3.34Å; T172-I175 PolarHBondContact O-N 2.93Å; T172-Y201 HydrophobicContact CG2-CE1 3.69Å; T172-K205 HydrophobicContact CG2-CB 3.85Å; T172-K205 HydrophobicContact CG2-CD 4.49Å; T172-K205 HydrophobicContact CG2-CG 3.77Å; T172-I228 WeakPolarHBondContact CA-O 3.22Å
173	S	95.9	Very high	96	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17.7	168.3	59.7	0	0	0	0	114	I175 Y176 I228 R331	S173-I175 PolarHBondContact O-N 3.37Å; S173-Y176 WeakPolarHBondContact O-CB 3.37Å; S173-Y176 VanDerWaalsContact O-CD2 3.32Å; S173-Y176 WeakPolarHBondContact O-CD2 3.34Å; S173-Y176 PolarHBondContact O-N 3.01Å; S173-Y176 VanDerWaalsContact O-N 3.12Å; S173-I228 PolarHBondContact N-O 2.91Å; S173-I228 PolarHBondContact OG-O 3.44Å; S173-R331 WeakPolarHBondContact OG-CD 3.45Å
174	E	94.6	Very high	96	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.084	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-65.1	-18.7	176.3	-53.3	-60.1	146.5	0	0	113.2	T172 Y176 G177 R198 Y201 D202 R331	T172-E174 HydrophobicContact CG2-CB 3.79Å; T172-E174 HydrophobicContact CG2-CG 4.25Å; T172-E174 PolarHBondContact O-N 2.87Å; T172-E174 PolarHBondContact OG1-N 3.33Å; E174-Y176 PolarHBondContact O-N 3.18Å; E174-Y176 VanDerWaalsContact O-N 3.09Å; E174-G177 PolarHBondContact O-N 3.32Å; E174-R198 IonicContact OE1-NH2 3.69Å; E174-R198 IonicContact OE2-CZ 2.71Å; E174-R198 IonicContact OE2-NE 2.73Å; E174-R198 IonicContact OE2-NH2 3.98Å; E174-R198 PolarHBondContact OE2-NH2 3.36Å; E174-Y201 HydrophobicContact CB-CD1 4.08Å; E174-Y201 HydrophobicContact CB-CE1 4.03Å; E174-Y201 HydrophobicContact CG-CD1 3.88Å; E174-Y201 HydrophobicContact CG-CE1 3.61Å; E174-D202 VanDerWaalsContact CB-OD1 3.3Å; E174-D202 WeakPolarHBondContact CB-OD1 3.38Å; E174-R331 IonicContact OE1-CZ 3.8Å; E174-R331 VanDerWaalsContact OE1-CZ 3.29Å; E174-R331 IonicContact OE1-NH1 2.86Å; E174-R331 PolarHBondContact OE1-NH1 3.49Å; E174-R331 IonicContact OE1-NH2 3.83Å; E174-R331 PolarHBondContact OE1-NH2 3.38Å; E174-R331 IonicContact OE2-CZ 3.99Å; E174-R331 IonicContact OE2-NH1 2.76Å; E174-R331 IonicContact OE2-NH2 3.97Å; E174-R331 PolarHBondContact OE2-NH2 3.28Å
175	I	96.6	Very high	96	Very high	5 Å²	5	26 Å²	26	3%	0.026	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-61.4	-19.4	173.6	67.8	95.1	0	0	0	112.7	T172 S173 V192 K205 R206	T172-I175 HydrophobicContact CG2-CG2 3.94Å; T172-I175 WeakPolarHBondContact O-CG1 3.21Å; T172-I175 WeakPolarHBondContact O-CG2 3.34Å; T172-I175 PolarHBondContact O-N 2.93Å; S173-I175 PolarHBondContact O-N 3.37Å; I175-V192 WeakPolarHBondContact O-CG2 3.38Å; I175-K205 HydrophobicContact CG2-CB 3.95Å; I175-R206 HydrophobicContact CB-CG 3.84Å; I175-R206 HydrophobicContact CG2-CG 3.91Å
176	Y	95.9	Very high	96	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.012	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-81.6	-14.1	176.2	-60.7	-57.2	0	0	0	113.3	S173 E174 Q184 Y188 G190 N191 R227 F229 N292	S173-Y176 WeakPolarHBondContact O-CB 3.37Å; S173-Y176 VanDerWaalsContact O-CD2 3.32Å; S173-Y176 WeakPolarHBondContact O-CD2 3.34Å; S173-Y176 PolarHBondContact O-N 3.01Å; S173-Y176 VanDerWaalsContact O-N 3.12Å; E174-Y176 PolarHBondContact O-N 3.18Å; E174-Y176 VanDerWaalsContact O-N 3.09Å; Y176-Q184 HydrophobicContact CD2-CB 4.09Å; Y176-Q184 HydrophobicContact CD2-CG 4.3Å; Y176-Q184 HydrophobicContact CE2-CB 4.15Å; Y176-Q184 HydrophobicContact CG-CB 4.39Å; Y176-Q184 HydrophobicContact CG-CG 4.35Å; Y176-Y188 AromaticContact CD1-CD1 3.63Å; Y176-Y188 HydrophobicContact CD1-CD1 3.63Å; Y176-Y188 HydrophobicContact CD1-CE1 4.4Å; Y176-Y188 HydrophobicContact CD1-CG 4.46Å; Y176-Y188 HydrophobicContact CE1-CD1 4.37Å; Y176-Y188 HydrophobicContact CG-CD1 4.27Å; Y176-G190 WeakPolarHBondContact O-CA 3.48Å; Y176-N191 PolarHBondContact O-N 3.26Å; Y176-R227 WeakPolarHBondContact OH-CD 3.29Å; Y176-R227 PolarHBondContact OH-NH1 2.98Å; Y176-F229 HydrophobicContact CD2-CZ 4.08Å; Y176-F229 AromaticContact CE2-CE2 3.92Å; Y176-F229 HydrophobicContact CE2-CE2 3.92Å; Y176-F229 AromaticContact CE2-CZ 3.7Å; Y176-F229 HydrophobicContact CE2-CZ 3.7Å; Y176-N292 PolarHBondContact OH-OD1 3.1Å
177	G	92.9	Very high	95.9	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	66.3	-137.3	-178.9	0	0	0	0	0	113.4	E174 P179 N191 P328	E174-G177 PolarHBondContact O-N 3.32Å; G177-P179 VanDerWaalsContact O-CD 3.29Å; G177-P179 WeakPolarHBondContact O-CD 3.48Å; G177-N191 WeakPolarHBondContact CA-O 3.29Å; G177-P328 WeakPolarHBondContact O-CG 3.3Å
178	D	89.4	Confident	95.8	Very high	72 Å²	72	31 Å²	31	39%	0.385	17%	0.172	S	C	.	.	S	Bend	trans	-92.1	96.4	165.7	-171.6	27.4	0	0	0	108.9	E180 N191 Q329	D178-E180 PolarHBondContact O-N 2.73Å; D178-N191 PolarHBondContact N-O 2.92Å; D178-N191 VanDerWaalsContact N-O 3.15Å; D178-N191 WeakPolarHBondContact O-CB 3.5Å; D178-N191 PolarHBondContact O-ND2 3.39Å; D178-Q329 PolarHBondContact OD1-N 3.26Å
179	P	91.4	Very high	95.7	Very high	18 Å²	18	41.8 Å²	41.8	12%	0.117	21%	0.213	C	C	.	.			trans	-75.8	131.3	-161	30.9	-35.3	0	0	0	112.4	G177 V181 Q184 Y188	G177-P179 VanDerWaalsContact O-CD 3.29Å; G177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-V181 VanDerWaalsContact C-N 3.32Å; P179-Q184 HydrophobicContact CB-CG 3.82Å; P179-Q184 HydrophobicContact CG-CG 4.06Å; P179-Q184 VanDerWaalsContact CG-NE2 3.26Å; P179-Y188 HydrophobicContact CB-CD1 4.5Å; P179-Y188 HydrophobicContact CB-CE1 3.74Å
180	E	93	Very high	95.5	Very high	158 Å²	158	42.6 Å²	42.6	74%	0.738	22%	0.222	S	C	*	.	S	Bend	trans	-81	-16.4	171.8	-59.7	-177.6	147.2	0	0	112.4	D178 Y188 N191	D178-E180 PolarHBondContact O-N 2.73Å; E180-Y188 PolarHBondContact N-OH 3.49Å; E180-Y188 VanDerWaalsContact N-OH 3.13Å; E180-N191 HydrophobicContact CG-CB 4.45Å
181	V	95.1	Very high	95.2	Very high	63 Å²	63	45.8 Å²	45.8	38%	0.382	24%	0.238	S	C	.	.	S	Bend	trans	-108.2	133.6	179.5	-179	0	0	0	0	110.3	P179 Q184 P185 Y188	P179-V181 VanDerWaalsContact C-N 3.32Å; V181-Q184 PolarHBondContact O-NE2 3.06Å; V181-P185 HydrophobicContact CG1-CG 4.4Å; V181-Y188 HydrophobicContact CB-CD2 3.95Å; V181-Y188 HydrophobicContact CB-CE2 4.14Å; V181-Y188 HydrophobicContact CB-CG 4.16Å; V181-Y188 HydrophobicContact CG2-CD2 3.64Å; V181-Y188 HydrophobicContact CG2-CE2 3.68Å; V181-Y188 HydrophobicContact CG2-CG 4.35Å
182	H	92.2	Very high	95	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.296	24%	0.242	S	C	.	.	S	Bend	trans	-146.6	132.8	-176.4	-172.1	74.6	0	0	0	112.6	Q184 E298 Q332	H182-Q184 PolarHBondContact ND1-NE2 3.05Å; H182-E298 IonicContact CE1-OE1 2.95Å; H182-E298 PolarHBondContact CE1-OE1 3.37Å; H182-E298 IonicContact CE1-OE2 3.2Å; H182-E298 IonicContact NE2-OE2 2.82Å; H182-Q332 WeakPolarHBondContact CE1-CB 3.29Å; H182-Q332 PolarHBondContact CE1-OE1 2.95Å; H182-Q332 PolarHBondContact NE2-OE1 2.77Å
183	P	95.5	Very high	94.9	Very high	51 Å²	51	49.6 Å²	49.6	33%	0.331	26%	0.258	S	S	.	.	S	Bend	cis	-57.8	168.1	-9.4	27.9	-36	0	0	0	111.6	P185 Q332 D334	P183-P185 WeakPolarHBondContact O-CD 3.5Å; P183-Q332 HydrophobicContact CB-CB 4.27Å; P183-Q332 HydrophobicContact CB-CG 4.17Å; P183-D334 HydrophobicContact CB-CB 4.42Å; P183-D334 HydrophobicContact CG-CB 4.4Å
184	Q	96.6	Very high	94.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-87.9	104.4	-177.3	-71.7	83.6	54.4	0	0	111.5	Y176 P179 V181 H182 F229 N292 Q332 D334	Y176-Q184 HydrophobicContact CD2-CB 4.09Å; Y176-Q184 HydrophobicContact CD2-CG 4.3Å; Y176-Q184 HydrophobicContact CE2-CB 4.15Å; Y176-Q184 HydrophobicContact CG-CB 4.39Å; Y176-Q184 HydrophobicContact CG-CG 4.35Å; P179-Q184 HydrophobicContact CB-CG 3.82Å; P179-Q184 HydrophobicContact CG-CG 4.06Å; P179-Q184 VanDerWaalsContact CG-NE2 3.26Å; V181-Q184 PolarHBondContact O-NE2 3.06Å; H182-Q184 PolarHBondContact ND1-NE2 3.05Å; Q184-F229 HydrophobicContact CB-CZ 4.25Å; Q184-N292 PolarHBondContact O-ND2 2.96Å; Q184-Q332 PolarHBondContact N-O 3.29Å; Q184-Q332 PolarHBondContact OE1-O 3.03Å; Q184-D334 PolarHBondContact O-N 2.97Å; Q184-D334 VanDerWaalsContact O-N 3.1Å
185	P	97.9	Very high	94.9	Very high	25 Å²	25	60.4 Å²	60.4	16%	0.162	32%	0.32	C	S	.	.			trans	-80.2	157.9	172.5	36	-38.3	0	0	0	111.8	V181 P183 S187 Y188 D334	V181-P185 HydrophobicContact CG1-CG 4.4Å; P183-P185 WeakPolarHBondContact O-CD 3.5Å; P185-S187 PolarHBondContact O-N 2.64Å; P185-S187 VanDerWaalsContact O-N 3.12Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 3.42Å; P185-D334 HydrophobicContact CB-CB 4.35Å
186	E	98.1	Very high	94.7	Very high	19 Å²	19	60.8 Å²	60.8	9%	0.089	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	177.6	-64.3	91.5	155.5	0	0	113.8	Y188 R227 N292 I337	E186-Y188 VanDerWaalsContact C-N 3.32Å; E186-R227 PolarHBondContact O-NH1 3.28Å; E186-N292 HydrophobicContact CG-CB 4.32Å; E186-N292 WeakPolarHBondContact OE1-CB 3.4Å; E186-N292 PolarHBondContact OE1-N 2.95Å; E186-I337 HydrophobicContact CB-CD1 4.15Å; E186-I337 HydrophobicContact CG-CD1 4.23Å; E186-I337 WeakPolarHBondContact OE2-CD1 3.22Å
187	S	97.6	Very high	94.4	Very high	97 Å²	97	64 Å²	64	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.1	175.5	57.1	0	0	0	0	114.1	P185	P185-S187 PolarHBondContact O-N 2.64Å; P185-S187 VanDerWaalsContact O-N 3.12Å
188	Y	97.4	Very high	94.4	Very high	31 Å²	31	64.4 Å²	64.4	12%	0.122	35%	0.346	C	S	.	.			trans	-72.3	130.6	-179.9	178.6	-126.6	0	0	0	111.2	Y176 P179 E180 V181 P185 E186 G190 N191	Y176-Y188 AromaticContact CD1-CD1 3.63Å; Y176-Y188 HydrophobicContact CD1-CD1 3.63Å; Y176-Y188 HydrophobicContact CD1-CE1 4.4Å; Y176-Y188 HydrophobicContact CD1-CG 4.46Å; Y176-Y188 HydrophobicContact CE1-CD1 4.37Å; Y176-Y188 HydrophobicContact CG-CD1 4.27Å; P179-Y188 HydrophobicContact CB-CD1 4.5Å; P179-Y188 HydrophobicContact CB-CE1 3.74Å; E180-Y188 PolarHBondContact N-OH 3.49Å; E180-Y188 VanDerWaalsContact N-OH 3.13Å; V181-Y188 HydrophobicContact CB-CD2 3.95Å; V181-Y188 HydrophobicContact CB-CE2 4.14Å; V181-Y188 HydrophobicContact CB-CG 4.16Å; V181-Y188 HydrophobicContact CG2-CD2 3.64Å; V181-Y188 HydrophobicContact CG2-CE2 3.68Å; V181-Y188 HydrophobicContact CG2-CG 4.35Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 3.42Å; E186-Y188 VanDerWaalsContact C-N 3.32Å; Y188-G190 VanDerWaalsContact C-N 3.33Å; Y188-G190 VanDerWaalsContact CE1-CA 3.46Å; Y188-G190 PolarHBondContact O-N 3.08Å; Y188-N191 VanDerWaalsContact OH-CB 3.22Å; Y188-N191 WeakPolarHBondContact OH-CB 3.45Å; Y188-N191 PolarHBondContact OH-N 2.96Å
189	W	95.1	Very high	94.7	Very high	228 Å²	228	61.5 Å²	61.5	86%	0.864	33%	0.332	S	S	*	.			trans	-76.4	-17.4	-175.9	-66	-23.6	0	0	0	114.8	R206	W189-R206 PolarHBondContact O-NH2 2.97Å
190	G	94.6	Very high	95	Very high	17 Å²	17	61.3 Å²	61.3	18%	0.175	33%	0.33	C	S	.	.			trans	89.1	153.8	-176.4	0	0	0	0	0	113.9	Y176 Y188	Y176-G190 WeakPolarHBondContact O-CA 3.48Å; Y188-G190 VanDerWaalsContact C-N 3.33Å; Y188-G190 VanDerWaalsContact CE1-CA 3.46Å; Y188-G190 PolarHBondContact O-N 3.08Å
191	N	94.5	Very high	95.2	Very high	71 Å²	71	54.3 Å²	54.3	38%	0.38	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-123.5	73	176.3	177.8	38	0	0	0	108.7	Y176 G177 D178 E180 Y188	Y176-N191 PolarHBondContact O-N 3.26Å; G177-N191 WeakPolarHBondContact CA-O 3.29Å; D178-N191 PolarHBondContact N-O 2.92Å; D178-N191 VanDerWaalsContact N-O 3.15Å; D178-N191 WeakPolarHBondContact O-CB 3.5Å; D178-N191 PolarHBondContact O-ND2 3.39Å; E180-N191 HydrophobicContact CG-CB 4.45Å; Y188-N191 VanDerWaalsContact OH-CB 3.22Å; Y188-N191 WeakPolarHBondContact OH-CB 3.45Å; Y188-N191 PolarHBondContact OH-N 2.96Å
192	V	94.2	Very high	95.2	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.109	28%	0.281	C	S	.	.			trans	-99.1	136.5	-174.7	176.9	0	0	0	0	109.9	I175 P194 D202 E203	I175-V192 WeakPolarHBondContact O-CG2 3.38Å; V192-P194 VanDerWaalsContact O-CD 3.32Å; V192-P194 WeakPolarHBondContact O-CD 3.36Å; V192-D202 HydrophobicContact CG1-CB 3.69Å; V192-E203 HydrophobicContact CG1-CG 4.22Å; V192-E203 VanDerWaalsContact CG1-OE1 3.28Å; V192-E203 WeakPolarHBondContact CG1-OE1 3.38Å
193	N	94.2	Very high	95.4	Very high	74 Å²	74	51.6 Å²	51.6	40%	0.396	28%	0.281	S	S	.	.			trans	-85.1	107.4	171.8	178	3.2	0	0	0	110.3	I195 G196 A199	N193-I195 VanDerWaalsContact C-N 3.25Å; N193-I195 PolarHBondContact O-N 3.07Å; N193-I195 VanDerWaalsContact OD1-CG1 3.29Å; N193-I195 WeakPolarHBondContact OD1-CG1 3.37Å; N193-I195 PolarHBondContact OD1-N 3.41Å; N193-G196 PolarHBondContact O-N 3.3Å; N193-G196 PolarHBondContact OD1-N 3.26Å; N193-A199 WeakPolarHBondContact O-CB 3.45Å
194	P	95.1	Very high	95.6	Very high	85 Å²	85	49.4 Å²	49.4	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.2	-172.1	31.8	-37.2	0	0	0	114.3	V192 A199 E203	V192-P194 VanDerWaalsContact O-CD 3.32Å; V192-P194 WeakPolarHBondContact O-CD 3.36Å; P194-A199 VanDerWaalsContact O-CB 3.31Å; P194-A199 WeakPolarHBondContact O-CB 3.4Å; P194-E203 HydrophobicContact CB-CG 4.16Å
195	I	95.3	Very high	95.6	Very high	162 Å²	162	49.5 Å²	49.5	83%	0.831	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	1.8	176.3	62.7	168.6	0	0	0	112.6	N193	N193-I195 VanDerWaalsContact C-N 3.25Å; N193-I195 PolarHBondContact O-N 3.07Å; N193-I195 VanDerWaalsContact OD1-CG1 3.29Å; N193-I195 WeakPolarHBondContact OD1-CG1 3.37Å; N193-I195 PolarHBondContact OD1-N 3.41Å
196	G	92.4	Very high	95.7	Very high	12 Å²	12	51.8 Å²	51.8	12%	0.124	27%	0.273	C	S	.	.	S	Bend	trans	-72.7	165.9	179.9	0	0	0	0	0	113.1	N193 R198 A199	N193-G196 PolarHBondContact O-N 3.3Å; N193-G196 PolarHBondContact OD1-N 3.26Å; G196-R198 PolarHBondContact O-N 3.24Å; G196-R198 VanDerWaalsContact O-N 3.16Å; G196-A199 WeakPolarHBondContact O-CB 3.39Å; G196-A199 PolarHBondContact O-N 3.24Å
197	P	90.7	Very high	95.7	Very high	71 Å²	71	54.8 Å²	54.8	46%	0.461	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.7	-177.9	25.3	-34.3	0	0	0	113.8	M139	M139-P197 HydrophobicContact SD-CB 4.39Å
198	R	92.8	Very high	95.7	Very high	15 Å²	15	50.1 Å²	50.1	6%	0.057	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.1	178.6	-57.6	175.3	72.4	126.4	-4.4	113.6	Y138 M139 E174 G196 C200 Y201 D202 D326 D327	Y138-R198 HydrophobicContact CE2-CB 4.36Å; Y138-R198 HydrophobicContact CE2-CG 4.4Å; Y138-R198 PolarHBondContact OH-NE 3.04Å; Y138-R198 PolarHBondContact OH-NH2 3.44Å; M139-R198 HydrophobicContact CE-CG 4.02Å; E174-R198 IonicContact OE1-NH2 3.69Å; E174-R198 IonicContact OE2-CZ 2.71Å; E174-R198 IonicContact OE2-NE 2.73Å; E174-R198 IonicContact OE2-NH2 3.98Å; E174-R198 PolarHBondContact OE2-NH2 3.36Å; G196-R198 PolarHBondContact O-N 3.24Å; G196-R198 VanDerWaalsContact O-N 3.16Å; R198-C200 PolarHBondContact O-N 3.42Å; R198-Y201 PolarHBondContact O-N 3.16Å; R198-D202 WeakPolarHBondContact CB-OD2 2.86Å; R198-D202 PolarHBondContact O-N 3.07Å; R198-D326 WeakPolarHBondContact CD-O 3.47Å; R198-D327 IonicContact CZ-OD1 3.46Å; R198-D327 IonicContact NH1-OD1 2.63Å; R198-D327 PolarHBondContact NH1-OD1 3.4Å; R198-D327 IonicContact NH2-OD1 3.92Å
199	A	95	Very high	95.8	Very high	11 Å²	11	49.5 Å²	49.5	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-56.1	-32	-172.5	0	0	0	0	0	113.3	N193 P194 G196 Y201 D202 E203	N193-A199 WeakPolarHBondContact O-CB 3.45Å; P194-A199 VanDerWaalsContact O-CB 3.31Å; P194-A199 WeakPolarHBondContact O-CB 3.4Å; G196-A199 WeakPolarHBondContact O-CB 3.39Å; G196-A199 PolarHBondContact O-N 3.24Å; A199-Y201 PolarHBondContact O-N 3.18Å; A199-D202 PolarHBondContact O-N 2.94Å; A199-E203 HydrophobicContact CB-CG 4.48Å; A199-E203 VanDerWaalsContact O-CB 3.28Å; A199-E203 WeakPolarHBondContact O-CB 3.28Å; A199-E203 PolarHBondContact O-N 2.96Å
200	C	96.8	Very high	96	Very high	13 Å²	13	42.6 Å²	42.6	9%	0.088	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-30.8	178.6	69.4	0	0	0	0	113.2	P142 I146 R198 S204	P142-C200 HydrophobicContact CB-CB 3.66Å; I146-C200 HydrophobicContact CD1-CB 3.95Å; I146-C200 HydrophobicContact CG1-CB 3.91Å; R198-C200 PolarHBondContact O-N 3.42Å; C200-S204 WeakPolarHBondContact O-CB 3.27Å; C200-S204 PolarHBondContact O-OG 3.35Å
201	Y	97.1	Very high	96.2	Very high	11 Å²	11	43.3 Å²	43.3	4%	0.043	24%	0.237	C	C	.	.	H	α-helix	trans	-92.4	-48.9	176.4	-176.8	-104.6	0	0	0	111	S131 P132 A133 Y138 T145 T172 E174 R198 A199 S204 K205	S131-Y201 WeakPolarHBondContact OG-CE2 3.48Å; P132-Y201 WeakPolarHBondContact O-CD2 3.45Å; P132-Y201 WeakPolarHBondContact O-CE2 3.27Å; A133-Y201 HydrophobicContact CB-CE2 4.06Å; Y138-Y201 HydrophobicContact CD1-CD1 4.02Å; Y138-Y201 AromaticContact CD1-CD2 3.87Å; Y138-Y201 HydrophobicContact CD1-CD2 3.87Å; Y138-Y201 HydrophobicContact CD1-CE2 4.49Å; Y138-Y201 AromaticContact CD1-CG 3.62Å; Y138-Y201 HydrophobicContact CD1-CG 3.62Å; Y138-Y201 HydrophobicContact CD2-CG 4.5Å; Y138-Y201 AromaticContact CE1-CD1 3.89Å; Y138-Y201 HydrophobicContact CE1-CD1 3.89Å; Y138-Y201 HydrophobicContact CE1-CE1 4.48Å; Y138-Y201 AromaticContact CE1-CG 3.93Å; Y138-Y201 HydrophobicContact CE1-CG 3.93Å; Y138-Y201 HydrophobicContact CG-CD2 4.2Å; Y138-Y201 AromaticContact CG-CG 3.97Å; Y138-Y201 HydrophobicContact CG-CG 3.97Å; T145-Y201 HydrophobicContact CG2-CD2 3.98Å; T172-Y201 HydrophobicContact CG2-CE1 3.69Å; E174-Y201 HydrophobicContact CB-CD1 4.08Å; E174-Y201 HydrophobicContact CB-CE1 4.03Å; E174-Y201 HydrophobicContact CG-CD1 3.88Å; E174-Y201 HydrophobicContact CG-CE1 3.61Å; R198-Y201 PolarHBondContact O-N 3.16Å; A199-Y201 PolarHBondContact O-N 3.18Å; Y201-S204 PolarHBondContact O-N 3.35Å; Y201-S204 PolarHBondContact O-OG 2.93Å; Y201-S204 VanDerWaalsContact O-OG 3.11Å; Y201-K205 HydrophobicContact CD2-CG 4.44Å; Y201-K205 HydrophobicContact CE1-CG 4.4Å; Y201-K205 HydrophobicContact CE2-CG 4.13Å; Y201-K205 WeakPolarHBondContact O-CB 3.5Å; Y201-K205 VanDerWaalsContact O-CG 3.29Å; Y201-K205 WeakPolarHBondContact O-CG 3.3Å; Y201-K205 PolarHBondContact O-N 3.28Å
202	D	96	Very high	96.4	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-54.7	-174.1	-52.4	-11.3	0	0	0	111	E174 V192 R198 A199 S204 K205 R206	E174-D202 VanDerWaalsContact CB-OD1 3.3Å; E174-D202 WeakPolarHBondContact CB-OD1 3.38Å; V192-D202 HydrophobicContact CG1-CB 3.69Å; R198-D202 WeakPolarHBondContact CB-OD2 2.86Å; R198-D202 PolarHBondContact O-N 3.07Å; A199-D202 PolarHBondContact O-N 2.94Å; D202-S204 PolarHBondContact O-N 3.39Å; D202-K205 PolarHBondContact O-N 3.22Å; D202-R206 WeakPolarHBondContact O-CG 3.5Å; D202-R206 PolarHBondContact O-N 3.4Å
203	E	97.3	Very high	96.6	Very high	61 Å²	61	40.3 Å²	40.3	29%	0.285	22%	0.218	S	C	.	.	H	α-helix	trans	-69.6	-35.4	-178.7	-72.7	-63.4	136.7	0	0	112.2	V192 P194 A199 K205 R206 L207	V192-E203 HydrophobicContact CG1-CG 4.22Å; V192-E203 VanDerWaalsContact CG1-OE1 3.28Å; V192-E203 WeakPolarHBondContact CG1-OE1 3.38Å; P194-E203 HydrophobicContact CB-CG 4.16Å; A199-E203 HydrophobicContact CB-CG 4.48Å; A199-E203 VanDerWaalsContact O-CB 3.28Å; A199-E203 WeakPolarHBondContact O-CB 3.28Å; A199-E203 PolarHBondContact O-N 2.96Å; E203-K205 VanDerWaalsContact C-N 3.32Å; E203-K205 PolarHBondContact O-N 2.92Å; E203-R206 PolarHBondContact O-N 3.48Å; E203-R206 WeakPolarHBondContact OE1-CD 3.47Å; E203-R206 IonicContact OE1-CZ 3.38Å; E203-R206 IonicContact OE1-NH1 3.52Å; E203-R206 PolarHBondContact OE1-NH1 3.2Å; E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.58Å
204	S	98.2	Very high	96.8	Very high	5 Å²	5	38.5 Å²	38.5	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-32.4	177.2	67.2	0	0	0	0	112.2	N149 C200 Y201 D202 G208	N149-S204 VanDerWaalsContact CB-OG 3.25Å; N149-S204 WeakPolarHBondContact CB-OG 3.5Å; N149-S204 PolarHBondContact ND2-OG 2.93Å; C200-S204 WeakPolarHBondContact O-CB 3.27Å; C200-S204 PolarHBondContact O-OG 3.35Å; Y201-S204 PolarHBondContact O-N 3.35Å; Y201-S204 PolarHBondContact O-OG 2.93Å; Y201-S204 VanDerWaalsContact O-OG 3.11Å; D202-S204 PolarHBondContact O-N 3.39Å; S204-G208 PolarHBondContact O-N 3.33Å
205	K	98.4	Very high	97	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-71.2	-38.8	170.9	-71.9	-67.3	-168.9	176.2	0	112.5	F169 A170 T172 I175 Y201 D202 E203 G208 E209	F169-K205 HydrophobicContact CE1-CD 4.41Å; F169-K205 HydrophobicContact CZ-CD 3.82Å; A170-K205 PolarHBondContact O-NZ 3.37Å; T172-K205 HydrophobicContact CG2-CB 3.85Å; T172-K205 HydrophobicContact CG2-CD 4.49Å; T172-K205 HydrophobicContact CG2-CG 3.77Å; I175-K205 HydrophobicContact CG2-CB 3.95Å; Y201-K205 HydrophobicContact CD2-CG 4.44Å; Y201-K205 HydrophobicContact CE1-CG 4.4Å; Y201-K205 HydrophobicContact CE2-CG 4.13Å; Y201-K205 WeakPolarHBondContact O-CB 3.5Å; Y201-K205 VanDerWaalsContact O-CG 3.29Å; Y201-K205 WeakPolarHBondContact O-CG 3.3Å; Y201-K205 PolarHBondContact O-N 3.28Å; D202-K205 PolarHBondContact O-N 3.22Å; E203-K205 VanDerWaalsContact C-N 3.32Å; E203-K205 PolarHBondContact O-N 2.92Å; K205-G208 WeakPolarHBondContact O-CA 3.45Å; K205-G208 PolarHBondContact O-N 2.64Å; K205-G208 VanDerWaalsContact O-N 3.14Å; K205-E209 PolarHBondContact O-N 3.09Å
206	R	98.4	Very high	97.1	Very high	73 Å²	73	32.1 Å²	32.1	28%	0.275	17%	0.17	S	C	.	.	H	α-helix	trans	-60.7	-43.5	171.8	-69.1	177.5	89.7	-175.3	10.5	112	I175 W189 D202 E203 G208 E209 T210	I175-R206 HydrophobicContact CB-CG 3.84Å; I175-R206 HydrophobicContact CG2-CG 3.91Å; W189-R206 PolarHBondContact O-NH2 2.97Å; D202-R206 WeakPolarHBondContact O-CG 3.5Å; D202-R206 PolarHBondContact O-N 3.4Å; E203-R206 PolarHBondContact O-N 3.48Å; E203-R206 WeakPolarHBondContact OE1-CD 3.47Å; E203-R206 IonicContact OE1-CZ 3.38Å; E203-R206 IonicContact OE1-NH1 3.52Å; E203-R206 PolarHBondContact OE1-NH1 3.2Å; R206-G208 VanDerWaalsContact C-N 3.3Å; R206-G208 PolarHBondContact O-N 3.09Å; R206-E209 PolarHBondContact O-N 2.9Å; R206-T210 PolarHBondContact O-N 2.79Å; R206-T210 PolarHBondContact O-OG1 3.11Å; R206-T210 VanDerWaalsContact O-OG1 3.04Å
207	L	98.5	Very high	97.4	Very high	81 Å²	81	39.3 Å²	39.3	42%	0.424	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-38.5	173.1	-179.5	56.4	0	0	0	111.2	T150 E203 E209 T210 M211	T150-L207 HydrophobicContact CG2-CD2 3.83Å; E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.58Å; L207-E209 PolarHBondContact O-N 3.02Å; L207-T210 WeakPolarHBondContact O-CB 3.36Å; L207-T210 PolarHBondContact O-N 3.19Å; L207-T210 VanDerWaalsContact O-N 3.13Å; L207-M211 HydrophobicContact CD1-CG 4.19Å; L207-M211 HydrophobicContact CG-CE 4.33Å; L207-M211 HydrophobicContact CG-CG 4.36Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 2.75Å
208	G	98.7	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-45.8	172.2	0	0	0	0	0	113.8	S204 K205 R206 T210 T212	S204-G208 PolarHBondContact O-N 3.33Å; K205-G208 WeakPolarHBondContact O-CA 3.45Å; K205-G208 PolarHBondContact O-N 2.64Å; K205-G208 VanDerWaalsContact O-N 3.14Å; R206-G208 VanDerWaalsContact C-N 3.3Å; R206-G208 PolarHBondContact O-N 3.09Å; G208-T210 VanDerWaalsContact C-N 3.35Å; G208-T212 WeakPolarHBondContact O-CB 3.49Å; G208-T212 PolarHBondContact O-N 2.86Å; G208-T212 PolarHBondContact O-OG1 2.9Å
209	E	98.7	Very high	97.9	Very high	18 Å²	18	45.8 Å²	45.8	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172.1	-67.2	-165	-173.8	0	0	111.2	F169 S171 K205 R206 L207 M211 T212 Y213 V225 R227	F169-E209 HydrophobicContact CD1-CG 4.13Å; F169-E209 HydrophobicContact CE1-CG 3.98Å; S171-E209 VanDerWaalsContact CB-OE1 3.24Å; S171-E209 WeakPolarHBondContact CB-OE1 3.45Å; S171-E209 PolarHBondContact OG-OE1 3.38Å; K205-E209 PolarHBondContact O-N 3.09Å; R206-E209 PolarHBondContact O-N 2.9Å; L207-E209 PolarHBondContact O-N 3.02Å; E209-M211 PolarHBondContact O-N 3.24Å; E209-T212 WeakPolarHBondContact O-CB 3.07Å; E209-T212 PolarHBondContact O-N 2.62Å; E209-Y213 VanDerWaalsContact O-CD2 3.27Å; E209-Y213 WeakPolarHBondContact O-CD2 3.16Å; E209-Y213 PolarHBondContact O-N 3.09Å; E209-V225 HydrophobicContact CG-CG1 3.86Å; E209-R227 WeakPolarHBondContact OE1-CG 3.22Å; E209-R227 IonicContact OE1-CZ 3.57Å; E209-R227 IonicContact OE1-NE 2.83Å; E209-R227 PolarHBondContact OE1-NE 3.37Å; E209-R227 IonicContact OE1-NH2 3.84Å; E209-R227 IonicContact OE2-CZ 3.78Å; E209-R227 IonicContact OE2-NE 3.89Å; E209-R227 PolarHBondContact OE2-NE 2.8Å; E209-R227 IonicContact OE2-NH2 2.79Å; E209-R227 PolarHBondContact OE2-NH2 2.97Å
210	T	98.6	Very high	98.1	Very high	83 Å²	83	51.9 Å²	51.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-47.9	179.3	-60.3	0	0	0	0	112	R206 L207 G208 Y213 A214	R206-T210 PolarHBondContact O-N 2.79Å; R206-T210 PolarHBondContact O-OG1 3.11Å; R206-T210 VanDerWaalsContact O-OG1 3.04Å; L207-T210 WeakPolarHBondContact O-CB 3.36Å; L207-T210 PolarHBondContact O-N 3.19Å; L207-T210 VanDerWaalsContact O-N 3.13Å; G208-T210 VanDerWaalsContact C-N 3.35Å; T210-Y213 PolarHBondContact O-N 3.03Å; T210-A214 WeakPolarHBondContact O-CB 3.33Å; T210-A214 PolarHBondContact O-N 2.7Å
211	M	98.7	Very high	98.1	Very high	31 Å²	31	51.4 Å²	51.4	15%	0.153	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-44.4	176.1	-70.1	-172.2	-64.9	0	0	111.3	T153 L157 L207 E209 Y213 A214 Y215	T153-M211 HydrophobicContact CG2-CE 3.82Å; L157-M211 HydrophobicContact CD1-CB 3.8Å; L207-M211 HydrophobicContact CD1-CG 4.19Å; L207-M211 HydrophobicContact CG-CE 4.33Å; L207-M211 HydrophobicContact CG-CG 4.36Å; L207-M211 WeakPolarHBondContact O-CG 3.38Å; L207-M211 PolarHBondContact O-N 2.75Å; E209-M211 PolarHBondContact O-N 3.24Å; M211-Y213 VanDerWaalsContact C-N 3.33Å; M211-Y213 PolarHBondContact O-N 3.1Å; M211-A214 WeakPolarHBondContact O-CB 3.29Å; M211-A214 PolarHBondContact O-N 3.34Å; M211-A214 VanDerWaalsContact O-N 3.15Å; M211-Y215 WeakPolarHBondContact O-CD2 3.43Å; M211-Y215 PolarHBondContact O-N 3.22Å
212	T	98.8	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-46.4	178.3	-59.6	0	0	0	0	111	F167 F169 G208 E209 Y215 F216 V223 V225	F167-T212 HydrophobicContact CD1-CG2 4.1Å; F167-T212 HydrophobicContact CE1-CG2 4.2Å; F169-T212 HydrophobicContact CB-CG2 4.36Å; G208-T212 WeakPolarHBondContact O-CB 3.49Å; G208-T212 PolarHBondContact O-N 2.86Å; G208-T212 PolarHBondContact O-OG1 2.9Å; E209-T212 WeakPolarHBondContact O-CB 3.07Å; E209-T212 PolarHBondContact O-N 2.62Å; T212-Y215 PolarHBondContact O-N 2.93Å; T212-F216 PolarHBondContact O-N 2.76Å; T212-V223 HydrophobicContact CG2-CB 3.59Å; T212-V223 HydrophobicContact CG2-CG1 3.61Å; T212-V223 HydrophobicContact CG2-CG2 4Å; T212-V225 HydrophobicContact CG2-CG2 3.94Å
213	Y	98.7	Very high	98.3	Very high	27 Å²	27	52.3 Å²	52.3	11%	0.106	26%	0.256	C	S	.	.	H	α-helix	trans	-73.7	-23.9	177.4	-76.7	-60.3	0	0	0	114.4	E209 T210 M211 F216 R217 V223 V225 T288 M289 P290	E209-Y213 VanDerWaalsContact O-CD2 3.27Å; E209-Y213 WeakPolarHBondContact O-CD2 3.16Å; E209-Y213 PolarHBondContact O-N 3.09Å; T210-Y213 PolarHBondContact O-N 3.03Å; M211-Y213 VanDerWaalsContact C-N 3.33Å; M211-Y213 PolarHBondContact O-N 3.1Å; Y213-F216 HydrophobicContact CD1-CB 4.43Å; Y213-F216 HydrophobicContact CD1-CD1 4.21Å; Y213-R217 WeakPolarHBondContact O-CB 3.4Å; Y213-R217 WeakPolarHBondContact O-CG 3.16Å; Y213-R217 PolarHBondContact O-N 3.24Å; Y213-R217 PolarHBondContact O-NE 3.16Å; Y213-V223 HydrophobicContact CD1-CG2 4.49Å; Y213-V223 HydrophobicContact CE1-CG2 4.28Å; Y213-V225 HydrophobicContact CE2-CG2 3.86Å; Y213-T288 WeakPolarHBondContact CE1-O 3.45Å; Y213-T288 PolarHBondContact OH-O 3.33Å; Y213-M289 VanDerWaalsContact OH-C 3.28Å; Y213-M289 WeakPolarHBondContact OH-CA 3.4Å; Y213-P290 HydrophobicContact CE2-CG 3.92Å; Y213-P290 WeakPolarHBondContact OH-CD 3.48Å; Y213-P290 VanDerWaalsContact OH-CG 3.32Å; Y213-P290 WeakPolarHBondContact OH-CG 3.35Å; Y213-P290 VanDerWaalsContact OH-N 3.08Å
214	A	98.6	Very high	98.4	Very high	36 Å²	36	49.9 Å²	49.9	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-45.2	169.9	0	0	0	0	0	110.8	T210 M211 F216 R217 H218	T210-A214 WeakPolarHBondContact O-CB 3.33Å; T210-A214 PolarHBondContact O-N 2.7Å; M211-A214 WeakPolarHBondContact O-CB 3.29Å; M211-A214 PolarHBondContact O-N 3.34Å; M211-A214 VanDerWaalsContact O-N 3.15Å; A214-F216 PolarHBondContact O-N 2.98Å; A214-R217 PolarHBondContact O-N 3.14Å; A214-H218 WeakPolarHBondContact O-CB 3.28Å; A214-H218 PolarHBondContact O-CD2 3.29Å; A214-H218 VanDerWaalsContact O-CD2 3.28Å; A214-H218 PolarHBondContact O-N 3.21Å
215	Y	98.6	Very high	98.4	Very high	49 Å²	49	49.6 Å²	49.6	19%	0.192	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-40.6	174.2	-88.1	-109.3	0	0	0	112.2	L154 L157 R161 M211 T212 L219 N220 L221	L154-Y215 HydrophobicContact CD1-CE2 4.15Å; L157-Y215 HydrophobicContact CB-CD1 3.94Å; L157-Y215 HydrophobicContact CB-CD2 4.1Å; L157-Y215 HydrophobicContact CB-CE1 3.78Å; L157-Y215 HydrophobicContact CB-CE2 3.93Å; L157-Y215 HydrophobicContact CB-CG 4.1Å; L157-Y215 HydrophobicContact CD1-CD2 3.86Å; L157-Y215 HydrophobicContact CD1-CE2 4.05Å; L157-Y215 HydrophobicContact CD1-CG 4.37Å; L157-Y215 HydrophobicContact CD2-CD1 4.48Å; L157-Y215 HydrophobicContact CD2-CD2 4.44Å; L157-Y215 HydrophobicContact CD2-CG 4.12Å; L157-Y215 HydrophobicContact CG-CD2 4.37Å; L157-Y215 HydrophobicContact CG-CG 4.44Å; R161-Y215 HydrophobicContact CB-CD1 4.44Å; R161-Y215 HydrophobicContact CB-CE1 4.33Å; M211-Y215 WeakPolarHBondContact O-CD2 3.43Å; M211-Y215 PolarHBondContact O-N 3.22Å; T212-Y215 PolarHBondContact O-N 2.93Å; Y215-L219 HydrophobicContact CD1-CD1 3.74Å; Y215-L219 HydrophobicContact CE1-CD1 3.91Å; Y215-L219 HydrophobicContact CG-CD1 4.31Å; Y215-L219 CarbonylContact O-C 3.2Å; Y215-L219 WeakPolarHBondContact O-CA 3.42Å; Y215-L219 WeakPolarHBondContact O-CB 3.36Å; Y215-L219 PolarHBondContact O-N 2.85Å; Y215-N220 PolarHBondContact O-N 2.82Å; Y215-L221 HydrophobicContact CD1-CD2 4.06Å; Y215-L221 HydrophobicContact CG-CD2 4.38Å; Y215-L221 PolarHBondContact O-N 2.94Å
216	F	98.3	Very high	98.4	Very high	63 Å²	63	49.4 Å²	49.4	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-53	173.4	175.6	-108.9	0	0	0	111.8	T212 Y213 A214 N220 L221 V223 T288	T212-F216 PolarHBondContact O-N 2.76Å; Y213-F216 HydrophobicContact CD1-CB 4.43Å; Y213-F216 HydrophobicContact CD1-CD1 4.21Å; A214-F216 PolarHBondContact O-N 2.98Å; F216-N220 VanDerWaalsContact O-CA 3.27Å; F216-N220 WeakPolarHBondContact O-CA 3.29Å; F216-N220 PolarHBondContact O-N 3.16Å; F216-N220 VanDerWaalsContact O-N 3.11Å; F216-L221 WeakPolarHBondContact CD2-O 3.43Å; F216-V223 HydrophobicContact CB-CG1 4.25Å; F216-V223 HydrophobicContact CB-CG2 3.66Å; F216-V223 HydrophobicContact CD2-CG2 3.91Å; F216-V223 HydrophobicContact CG-CG2 3.9Å; F216-T288 HydrophobicContact CE2-CG2 3.87Å; F216-T288 HydrophobicContact CZ-CG2 4.18Å
217	R	98.3	Very high	98.4	Very high	164 Å²	164	47 Å²	47	62%	0.619	23%	0.232	S	C	*	.	H	α-helix	trans	-71.3	-37.3	-174.3	-75.4	-177.1	-91.2	155.2	-11.3	114	Y213 A214	Y213-R217 WeakPolarHBondContact O-CB 3.4Å; Y213-R217 WeakPolarHBondContact O-CG 3.16Å; Y213-R217 PolarHBondContact O-N 3.24Å; Y213-R217 PolarHBondContact O-NE 3.16Å; A214-R217 PolarHBondContact O-N 3.14Å
218	H	97.8	Very high	98.4	Very high	145 Å²	145	44.3 Å²	44.3	67%	0.671	22%	0.218	S	C	*	.	H	α-helix	trans	-97.8	-24.3	-173.6	-67.1	-69.9	0	0	0	113.9	A214	A214-H218 WeakPolarHBondContact O-CB 3.28Å; A214-H218 PolarHBondContact O-CD2 3.29Å; A214-H218 VanDerWaalsContact O-CD2 3.28Å; A214-H218 PolarHBondContact O-N 3.21Å
219	L	97.5	Very high	98.3	Very high	76 Å²	76	44.5 Å²	44.5	40%	0.398	22%	0.219	S	C	.	.	H	α-helix	trans	-124.9	5.9	-173.7	-58.3	175.3	0	0	0	113.3	R161 Y215 L221	R161-L219 HydrophobicContact CG-CD1 4.37Å; Y215-L219 HydrophobicContact CD1-CD1 3.74Å; Y215-L219 HydrophobicContact CE1-CD1 3.91Å; Y215-L219 HydrophobicContact CG-CD1 4.31Å; Y215-L219 CarbonylContact O-C 3.2Å; Y215-L219 WeakPolarHBondContact O-CA 3.42Å; Y215-L219 WeakPolarHBondContact O-CB 3.36Å; Y215-L219 PolarHBondContact O-N 2.85Å; L219-L221 PolarHBondContact O-N 2.92Å; L219-L221 VanDerWaalsContact O-N 3.11Å
220	N	97.5	Very high	98.1	Very high	140 Å²	140	45.3 Å²	45.3	75%	0.749	22%	0.223	S	C	*	.			trans	52.5	28.4	-178.1	-62.4	-49.1	0	0	0	113.4	Y215 F216	Y215-N220 PolarHBondContact O-N 2.82Å; F216-N220 VanDerWaalsContact O-CA 3.27Å; F216-N220 WeakPolarHBondContact O-CA 3.29Å; F216-N220 PolarHBondContact O-N 3.16Å; F216-N220 VanDerWaalsContact O-N 3.11Å
221	L	98.3	Very high	98	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	20%	0.201	C	C	.	.			trans	-66.7	126.6	177.5	-176.8	72.9	0	0	0	109.1	L157 A160 R161 F167 Y215 F216 L219 V223	L157-L221 HydrophobicContact CD2-CD2 3.74Å; A160-L221 HydrophobicContact CB-CD1 3.81Å; A160-L221 HydrophobicContact CB-CD2 3.98Å; A160-L221 HydrophobicContact CB-CG 4.47Å; R161-L221 HydrophobicContact CB-CD1 4.36Å; F167-L221 HydrophobicContact CB-CD2 4.2Å; Y215-L221 HydrophobicContact CD1-CD2 4.06Å; Y215-L221 HydrophobicContact CG-CD2 4.38Å; Y215-L221 PolarHBondContact O-N 2.94Å; F216-L221 WeakPolarHBondContact CD2-O 3.43Å; L219-L221 PolarHBondContact O-N 2.92Å; L219-L221 VanDerWaalsContact O-N 3.11Å; L221-V223 HydrophobicContact CB-CG1 4.38Å; L221-V223 HydrophobicContact CD2-CG1 4.02Å; L221-V223 HydrophobicContact CG-CG1 4.15Å; L221-V223 WeakPolarHBondContact O-CG1 3.45Å; L221-V223 PolarHBondContact O-N 2.96Å; L221-V223 VanDerWaalsContact O-N 3.13Å
222	P	98.1	Very high	97.8	Very high	41 Å²	41	40.3 Å²	40.3	27%	0.266	20%	0.195	S	C	.	.			trans	-72.1	109	178.1	25.5	-29.6	0	0	0	110.7	K166 F167	K166-P222 WeakPolarHBondContact CA-O 3.3Å; K166-P222 HydrophobicContact CB-CG 4.45Å; K166-P222 HydrophobicContact CG-CB 4.27Å; F167-P222 PolarHBondContact N-O 2.91Å
223	V	98.7	Very high	97.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.2	-175.1	-58	0	0	0	0	113.9	F167 T212 Y213 F216 L221	F167-V223 HydrophobicContact CD1-CG1 4.45Å; F167-V223 CarbonylContact O-C 3.6Å; F167-V223 VanDerWaalsContact O-CA 3.22Å; F167-V223 WeakPolarHBondContact O-CA 3.32Å; T212-V223 HydrophobicContact CG2-CB 3.59Å; T212-V223 HydrophobicContact CG2-CG1 3.61Å; T212-V223 HydrophobicContact CG2-CG2 4Å; Y213-V223 HydrophobicContact CD1-CG2 4.49Å; Y213-V223 HydrophobicContact CE1-CG2 4.28Å; F216-V223 HydrophobicContact CB-CG1 4.25Å; F216-V223 HydrophobicContact CB-CG2 3.66Å; F216-V223 HydrophobicContact CD2-CG2 3.91Å; F216-V223 HydrophobicContact CG-CG2 3.9Å; L221-V223 HydrophobicContact CB-CG1 4.38Å; L221-V223 HydrophobicContact CD2-CG1 4.02Å; L221-V223 HydrophobicContact CG-CG1 4.15Å; L221-V223 WeakPolarHBondContact O-CG1 3.45Å; L221-V223 PolarHBondContact O-N 2.96Å; L221-V223 VanDerWaalsContact O-N 3.13Å
224	R	98.8	Very high	97.6	Very high	9 Å²	9	40.1 Å²	40.1	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.3	169.3	-60.9	-62.9	175.9	-90.3	0.1	109	K166 F167 L168 F169 L282 S285 Y287	K166-R224 HydrophobicContact CD-CG 4.48Å; F167-R224 PolarHBondContact O-N 3.48Å; L168-R224 CarbonylContact C-O 3.48Å; L168-R224 WeakPolarHBondContact CA-O 3.39Å; L168-R224 HydrophobicContact CB-CB 4.02Å; L168-R224 HydrophobicContact CD1-CB 4.07Å; L168-R224 HydrophobicContact CG-CB 3.91Å; F169-R224 PolarHBondContact N-O 3.04Å; R224-L282 HydrophobicContact CB-CD1 4.46Å; R224-L282 HydrophobicContact CB-CD2 4.08Å; R224-L282 HydrophobicContact CB-CG 3.9Å; R224-L282 WeakPolarHBondContact CD-O 3.43Å; R224-L282 HydrophobicContact CG-CG 4.22Å; R224-L282 PolarHBondContact NE-O 2.85Å; R224-L282 VanDerWaalsContact NE-O 3.14Å; R224-S285 VanDerWaalsContact CZ-O 3.25Å; R224-S285 PolarHBondContact NE-O 3.41Å; R224-S285 VanDerWaalsContact NE-O 3.14Å; R224-S285 PolarHBondContact NH2-O 3.49Å; R224-Y287 WeakPolarHBondContact CD-O 3.22Å; R224-Y287 PolarHBondContact NE-O 3.19Å
225	V	98.9	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.1	177.9	176.1	0	0	0	0	109	F169 E209 T212 Y213 P290 V291	F169-V225 HydrophobicContact CB-CG2 4.37Å; F169-V225 HydrophobicContact CD1-CG1 4.41Å; E209-V225 HydrophobicContact CG-CG1 3.86Å; T212-V225 HydrophobicContact CG2-CG2 3.94Å; Y213-V225 HydrophobicContact CE2-CG2 3.86Å; V225-P290 HydrophobicContact CB-CB 4.36Å; V225-P290 HydrophobicContact CG1-CB 4.15Å; V225-P290 HydrophobicContact CG1-CG 4.45Å; V225-P290 WeakPolarHBondContact O-CA 3.13Å; V225-V291 PolarHBondContact O-N 3.34Å
226	A	98.9	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.6	176.2	0	0	0	0	0	109.8	L168 F169 S171 I228 L279 L282 L293	L168-A226 HydrophobicContact CD2-CB 4.37Å; F169-A226 PolarHBondContact O-N 3.34Å; S171-A226 CarbonylContact C-O 3.55Å; S171-A226 VanDerWaalsContact CA-O 3.22Å; S171-A226 WeakPolarHBondContact CA-O 3.41Å; S171-A226 VanDerWaalsContact CB-O 3.3Å; S171-A226 WeakPolarHBondContact CB-O 3.2Å; S171-A226 PolarHBondContact N-O 2.83Å; S171-A226 VanDerWaalsContact O-O 3.14Å; A226-I228 HydrophobicContact CB-CG1 4.28Å; A226-I228 PolarHBondContact O-N 3.39Å; A226-L279 HydrophobicContact CB-CD2 3.62Å; A226-L282 HydrophobicContact CB-CD2 3.81Å; A226-L293 HydrophobicContact CB-CD1 3.91Å
227	R	98.6	Very high	96.6	Very high	21 Å²	21	37.9 Å²	37.9	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	95.3	171.2	-70.6	-179.2	179.4	164.6	2.4	108.8	Y176 E186 E209 F229 V291 L293	Y176-R227 WeakPolarHBondContact OH-CD 3.29Å; Y176-R227 PolarHBondContact OH-NH1 2.98Å; E186-R227 PolarHBondContact O-NH1 3.28Å; E209-R227 WeakPolarHBondContact OE1-CG 3.22Å; E209-R227 IonicContact OE1-CZ 3.57Å; E209-R227 IonicContact OE1-NE 2.83Å; E209-R227 PolarHBondContact OE1-NE 3.37Å; E209-R227 IonicContact OE1-NH2 3.84Å; E209-R227 IonicContact OE2-CZ 3.78Å; E209-R227 IonicContact OE2-NE 3.89Å; E209-R227 PolarHBondContact OE2-NE 2.8Å; E209-R227 IonicContact OE2-NH2 2.79Å; E209-R227 PolarHBondContact OE2-NH2 2.97Å; R227-F229 WeakPolarHBondContact O-CD2 3.31Å; R227-V291 PolarHBondContact N-O 3.08Å; R227-L293 PolarHBondContact O-N 3Å
228	I	98.1	Very high	95.8	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.128	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.6	-173.6	-58	175.7	0	0	0	110	A170 S171 T172 S173 A226 L275 L279	A170-I228 HydrophobicContact CB-CD1 3.98Å; S171-I228 PolarHBondContact O-N 3.01Å; T172-I228 WeakPolarHBondContact CA-O 3.22Å; S173-I228 PolarHBondContact N-O 2.91Å; S173-I228 PolarHBondContact OG-O 3.44Å; A226-I228 HydrophobicContact CB-CG1 4.28Å; A226-I228 PolarHBondContact O-N 3.39Å; I228-L275 HydrophobicContact CB-CD1 4.46Å; I228-L275 HydrophobicContact CD1-CD1 4.16Å; I228-L275 HydrophobicContact CD1-CD2 4.31Å; I228-L275 HydrophobicContact CG1-CD1 3.93Å; I228-L275 HydrophobicContact CG2-CD1 3.9Å; I228-L275 HydrophobicContact CG2-CD2 3.74Å; I228-L279 HydrophobicContact CD1-CD2 4.3Å
229	F	96.1	Very high	94.7	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	16%	0.161	C	C	.	.			trans	-87	174.5	170.6	-79.2	-112.8	0	0	0	110.9	Y176 Q184 R227 T231 N292 L293 R331 P333	Y176-F229 HydrophobicContact CD2-CZ 4.08Å; Y176-F229 AromaticContact CE2-CE2 3.92Å; Y176-F229 HydrophobicContact CE2-CE2 3.92Å; Y176-F229 AromaticContact CE2-CZ 3.7Å; Y176-F229 HydrophobicContact CE2-CZ 3.7Å; Q184-F229 HydrophobicContact CB-CZ 4.25Å; R227-F229 WeakPolarHBondContact O-CD2 3.31Å; F229-T231 PolarHBondContact O-N 2.92Å; F229-T231 PolarHBondContact O-OG1 3.42Å; F229-N292 HydrophobicContact CD2-CB 4.48Å; F229-N292 HydrophobicContact CE2-CB 3.94Å; F229-N292 WeakPolarHBondContact CE2-OD1 3.38Å; F229-L293 PolarHBondContact N-O 2.98Å; F229-R331 HydrophobicContact CD1-CG 3.75Å; F229-R331 HydrophobicContact CE1-CG 3.74Å; F229-P333 HydrophobicContact CD1-CB 3.82Å; F229-P333 HydrophobicContact CD1-CG 3.97Å; F229-P333 HydrophobicContact CD2-CB 3.81Å; F229-P333 HydrophobicContact CD2-CG 4.47Å; F229-P333 HydrophobicContact CE1-CB 3.68Å; F229-P333 HydrophobicContact CE1-CG 4.23Å; F229-P333 HydrophobicContact CE2-CB 3.68Å; F229-P333 HydrophobicContact CG-CB 3.9Å; F229-P333 HydrophobicContact CG-CG 4.11Å; F229-P333 HydrophobicContact CZ-CB 3.61Å
230	N	94.2	Very high	93.8	Very high	35 Å²	35	28.2 Å²	28.2	19%	0.187	15%	0.146	C	C	.	.			trans	-48.6	112.1	-178.4	-70.5	-22.1	0	0	0	111.6	S268 Q270	N230-S268 VanDerWaalsContact CB-O 3.32Å; N230-S268 WeakPolarHBondContact CB-O 3.41Å; N230-Q270 PolarHBondContact O-N 3.09Å
231	T	96	Very high	92.8	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.8	-178.6	-60.2	0	0	0	0	109.5	F69 F229 Q270 I272 L275	F69-T231 HydrophobicContact CE1-CG2 4.22Å; F69-T231 HydrophobicContact CZ-CG2 4.33Å; F229-T231 PolarHBondContact O-N 2.92Å; F229-T231 PolarHBondContact O-OG1 3.42Å; T231-Q270 CarbonylContact C-O 3.49Å; T231-Q270 WeakPolarHBondContact CA-O 3.3Å; T231-Q270 WeakPolarHBondContact CG2-O 3.49Å; T231-Q270 PolarHBondContact OG1-NE2 2.92Å; T231-Q270 VanDerWaalsContact OG1-NE2 3.16Å; T231-I272 HydrophobicContact CG2-CB 4.28Å; T231-I272 HydrophobicContact CG2-CD1 3.92Å; T231-L275 HydrophobicContact CG2-CB 3.95Å; T231-L275 HydrophobicContact CG2-CD2 3.72Å; T231-L275 HydrophobicContact CG2-CG 4.48Å
232	Y	96.1	Very high	92.2	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.4	-179.6	77.6	-77.5	0	0	0	112.6	F69 M236 V244 F269 Q270 Y271 I272 L350 G353 L354	F69-Y232 VanDerWaalsContact CZ-C 3.47Å; Y232-M236 WeakPolarHBondContact CA-SD 3.45Å; Y232-V244 HydrophobicContact CD2-CG1 3.9Å; Y232-V244 HydrophobicContact CG-CG1 4.15Å; Y232-V244 HydrophobicContact CG-CG2 4.43Å; Y232-F269 HydrophobicContact CD1-CB 3.87Å; Y232-F269 HydrophobicContact CE1-CB 3.77Å; Y232-Q270 WeakPolarHBondContact CD1-O 3.38Å; Y232-Q270 PolarHBondContact N-O 3.3Å; Y232-Y271 HydrophobicContact CD2-CD2 4.36Å; Y232-Y271 HydrophobicContact CE1-CD2 4.47Å; Y232-Y271 AromaticContact CE2-CD2 3.86Å; Y232-Y271 HydrophobicContact CE2-CD2 3.86Å; Y232-Y271 HydrophobicContact CE2-CE2 4.45Å; Y232-Y271 AromaticContact CZ-CD2 3.9Å; Y232-I272 PolarHBondContact O-N 2.71Å; Y232-L350 HydrophobicContact CE1-CD1 4.02Å; Y232-L350 WeakPolarHBondContact OH-CA 3.37Å; Y232-L350 PolarHBondContact OH-O 3.23Å; Y232-G353 VanDerWaalsContact OH-CA 3.28Å; Y232-G353 WeakPolarHBondContact OH-CA 3.31Å; Y232-L354 HydrophobicContact CE2-CD2 4.22Å; Y232-L354 HydrophobicContact CE2-CG 4.36Å
233	G	96.7	Very high	91.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.			trans	159.2	-175.1	180	0	0	0	0	0	114.4	M236 T357	G233-M236 PolarHBondContact N-SD 3.42Å; G233-M236 VanDerWaalsContact N-SD 3.43Å; G233-M236 VanDerWaalsContact O-CG 3.24Å; G233-M236 WeakPolarHBondContact O-CG 3.43Å; G233-T357 WeakPolarHBondContact CA-OG1 3.33Å
234	P	95.4	Very high	91.2	Very high	22 Å²	22	25.9 Å²	25.9	14%	0.143	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	153.3	170.5	-26.5	35.9	0	0	0	112.8	F69 H73 M236 Y271 Y360	F69-P234 VanDerWaalsContact CD2-O 3.23Å; F69-P234 WeakPolarHBondContact CD2-O 3.29Å; F69-P234 WeakPolarHBondContact CE2-O 3.37Å; H73-P234 PolarHBondContact NE2-O 3.07Å; P234-M236 PolarHBondContact O-N 3.39Å; P234-Y271 WeakPolarHBondContact CD-OH 3.49Å; P234-Y360 HydrophobicContact CB-CD1 4.02Å; P234-Y360 HydrophobicContact CB-CD2 3.94Å; P234-Y360 HydrophobicContact CB-CG 3.67Å; P234-Y360 HydrophobicContact CG-CG 4.4Å
235	R	94.9	Very high	90.7	Very high	46 Å²	46	25.5 Å²	25.5	17%	0.174	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	8.9	-176.2	-51.5	178.5	-175	151.6	3.1	116	F69 S72 D76 Y360	F69-R235 HydrophobicContact CD2-CB 4.34Å; S72-R235 PolarHBondContact O-NH1 2.75Å; S72-R235 VanDerWaalsContact OG-CD 3.23Å; S72-R235 WeakPolarHBondContact OG-CD 3.39Å; S72-R235 PolarHBondContact OG-NH1 2.89Å; D76-R235 IonicContact OD1-NH1 2.8Å; D76-R235 IonicContact OD1-NH2 2.77Å; D76-R235 IonicContact OD2-CZ 2.73Å; D76-R235 IonicContact OD2-NH1 3.73Å; D76-R235 PolarHBondContact OD2-NH1 3.21Å; D76-R235 IonicContact OD2-NH2 3.06Å; D76-R235 PolarHBondContact OD2-NH2 3.05Å; R235-Y360 WeakPolarHBondContact CA-OH 3.34Å; R235-Y360 HydrophobicContact CG-CE2 4.5Å; R235-Y360 VanDerWaalsContact N-CZ 3.25Å
236	M	92.7	Very high	90.3	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.03	14%	0.14	C	C	.	.			trans	-67.1	150.6	160.5	-70.9	-176.3	86.2	0	0	110.2	F69 Y232 G233 P234 T245 F361	F69-M236 HydrophobicContact CD1-CG 3.56Å; F69-M236 HydrophobicContact CD2-CG 3.72Å; F69-M236 HydrophobicContact CE1-CE 4.34Å; F69-M236 HydrophobicContact CE1-CG 3.46Å; F69-M236 VanDerWaalsContact CE1-CG 3.46Å; F69-M236 HydrophobicContact CE1-SD 3.95Å; F69-M236 HydrophobicContact CE2-CG 3.64Å; F69-M236 HydrophobicContact CG-CG 3.69Å; F69-M236 HydrophobicContact CZ-CG 3.5Å; F69-M236 HydrophobicContact CZ-SD 4.04Å; Y232-M236 WeakPolarHBondContact CA-SD 3.45Å; G233-M236 PolarHBondContact N-SD 3.42Å; G233-M236 VanDerWaalsContact N-SD 3.43Å; G233-M236 VanDerWaalsContact O-CG 3.24Å; G233-M236 WeakPolarHBondContact O-CG 3.43Å; P234-M236 PolarHBondContact O-N 3.39Å; M236-T245 HydrophobicContact CB-CG2 3.76Å; M236-T245 HydrophobicContact CE-CG2 3.48Å; M236-T245 VanDerWaalsContact CE-CG2 3.48Å; M236-T245 HydrophobicContact CG-CG2 4.34Å; M236-T245 HydrophobicContact SD-CG2 3.63Å; M236-F361 HydrophobicContact CB-CZ 4.34Å
237	Q	86.8	Confident	90	Very high	49 Å²	49	27.1 Å²	27.1	23%	0.229	14%	0.14	C	C	.	.			trans	-72.2	142.4	173	-59.7	-176.4	14.1	0	0	110.2	T93 H137 N239 D240	T93-Q237 PolarHBondContact O-NE2 3Å; H137-Q237 PolarHBondContact CE1-OE1 3.44Å; H137-Q237 PolarHBondContact NE2-OE1 3.3Å; Q237-N239 VanDerWaalsContact C-N 3.32Å; Q237-N239 PolarHBondContact O-N 3.35Å; Q237-D240 HydrophobicContact CB-CB 4.15Å; Q237-D240 WeakPolarHBondContact O-CB 3.31Å; Q237-D240 PolarHBondContact O-N 2.86Å
238	I	82.2	Confident	89.8	Confident	47 Å²	47	26.1 Å²	26.1	24%	0.241	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-44.3	-178.9	-59.4	170.9	0	0	0	110.5	A249 F361 I364 L365	I238-A249 HydrophobicContact CG2-CB 3.75Å; I238-F361 HydrophobicContact CB-CE1 4.33Å; I238-F361 HydrophobicContact CG1-CD1 4.37Å; I238-F361 HydrophobicContact CG1-CE1 4.07Å; I238-F361 HydrophobicContact CG2-CE1 4.44Å; I238-I364 HydrophobicContact CD1-CD1 3.66Å; I238-I364 HydrophobicContact CD1-CG1 4.02Å; I238-I364 HydrophobicContact CG1-CD1 3.64Å; I238-I364 HydrophobicContact CG1-CG1 4.46Å; I238-L365 HydrophobicContact CD1-CD2 3.79Å; I238-L365 HydrophobicContact CD1-CG 4.28Å; I238-L365 HydrophobicContact CG2-CD2 4.38Å
239	N	75.3	Confident	89.5	Confident	120 Å²	120	25.2 Å²	25.2	64%	0.642	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	51.7	179.1	-59.7	-19	0	0	0	110.7	Q136 Q237 G241	Q136-N239 PolarHBondContact OE1-O 2.61Å; Q237-N239 VanDerWaalsContact C-N 3.32Å; Q237-N239 PolarHBondContact O-N 3.35Å; N239-G241 PolarHBondContact O-N 3.14Å
240	D	77.2	Confident	89.4	Confident	15 Å²	15	26.5 Å²	26.5	8%	0.08	14%	0.139	C	C	.	.	S	Bend	trans	-79.1	-8	177.5	-162.1	35.4	0	0	0	112.9	S134 H137 Q237 R242	S134-D240 VanDerWaalsContact CB-CG 3.46Å; S134-D240 VanDerWaalsContact CB-O 3.26Å; S134-D240 WeakPolarHBondContact CB-O 3.22Å; S134-D240 WeakPolarHBondContact CB-OD1 3.38Å; S134-D240 PolarHBondContact OG-O 3.39Å; S134-D240 PolarHBondContact OG-OD1 3.08Å; H137-D240 IonicContact CD2-OD1 3.29Å; Q237-D240 HydrophobicContact CB-CB 4.15Å; Q237-D240 WeakPolarHBondContact O-CB 3.31Å; Q237-D240 PolarHBondContact O-N 2.86Å; D240-R242 PolarHBondContact O-N 3.09Å; D240-R242 WeakPolarHBondContact OD2-CD 3.43Å; D240-R242 IonicContact OD2-CZ 3.8Å; D240-R242 IonicContact OD2-NE 3.49Å; D240-R242 PolarHBondContact OD2-NE 3.16Å
241	G	77.5	Confident	89.3	Confident	23 Å²	23	24.9 Å²	24.9	24%	0.237	13%	0.131	C	C	.	.			trans	73.8	2.6	-177	0	0	0	0	0	114.6	N239 N246	N239-G241 PolarHBondContact O-N 3.14Å; G241-N246 WeakPolarHBondContact CA-OD1 3.41Å; G241-N246 PolarHBondContact N-OD1 3.04Å; G241-N246 PolarHBondContact O-ND2 3.35Å
242	R	85.5	Confident	89.2	Confident	66 Å²	66	26.3 Å²	26.3	25%	0.249	14%	0.138	C	C	.	.			trans	-87	150.6	178.3	-64.8	-175.8	179.7	-174.4	-2.2	110.9	A133 D240 V244 T245 N246	A133-R242 PolarHBondContact O-NH2 3.29Å; D240-R242 PolarHBondContact O-N 3.09Å; D240-R242 WeakPolarHBondContact OD2-CD 3.43Å; D240-R242 IonicContact OD2-CZ 3.8Å; D240-R242 IonicContact OD2-NE 3.49Å; D240-R242 PolarHBondContact OD2-NE 3.16Å; R242-V244 PolarHBondContact O-N 3.18Å; R242-T245 PolarHBondContact O-N 2.97Å; R242-T245 PolarHBondContact O-OG1 3.15Å; R242-N246 WeakPolarHBondContact O-CB 3.48Å; R242-N246 PolarHBondContact O-N 3.27Å; R242-N246 PolarHBondContact O-OD1 3.31Å
243	V	86.3	Confident	89	Confident	41 Å²	41	29.9 Å²	29.9	25%	0.248	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-46.4	-172.1	67.9	0	0	0	0	113.5	F247 F269 V301 L304	V243-F247 HydrophobicContact CG2-CD1 4.21Å; V243-F247 HydrophobicContact CG2-CD2 4Å; V243-F247 HydrophobicContact CG2-CE1 3.69Å; V243-F247 HydrophobicContact CG2-CE2 3.46Å; V243-F247 VanDerWaalsContact CG2-CE2 3.46Å; V243-F247 HydrophobicContact CG2-CG 4.36Å; V243-F247 HydrophobicContact CG2-CZ 3.29Å; V243-F247 WeakPolarHBondContact O-CB 3.35Å; V243-F247 VanDerWaalsContact O-CD1 3.29Å; V243-F247 WeakPolarHBondContact O-CD1 3.2Å; V243-F247 WeakPolarHBondContact O-CG 3.32Å; V243-F247 PolarHBondContact O-N 3.39Å; V243-F269 HydrophobicContact CG1-CE1 3.62Å; V243-F269 HydrophobicContact CG1-CZ 3.74Å; V243-V301 HydrophobicContact CG2-CG1 4.02Å; V243-L304 HydrophobicContact CB-CD2 4.42Å; V243-L304 HydrophobicContact CG1-CD2 3.8Å; V243-L304 HydrophobicContact CG2-CD2 3.88Å
244	V	89.2	Confident	88.7	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-46.6	-178.4	178.1	0	0	0	0	111.6	Y232 R242 I248 F269 L304 L354	Y232-V244 HydrophobicContact CD2-CG1 3.9Å; Y232-V244 HydrophobicContact CG-CG1 4.15Å; Y232-V244 HydrophobicContact CG-CG2 4.43Å; R242-V244 PolarHBondContact O-N 3.18Å; V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 VanDerWaalsContact O-CG1 3.26Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.15Å; V244-I248 VanDerWaalsContact O-N 3.09Å; V244-F269 HydrophobicContact CG2-CD1 3.66Å; V244-F269 HydrophobicContact CG2-CE1 3.62Å; V244-F269 HydrophobicContact CG2-CG 4.45Å; V244-F269 HydrophobicContact CG2-CZ 4.38Å; V244-L304 HydrophobicContact CG2-CD1 4.4Å; V244-L304 HydrophobicContact CG2-CD2 3.87Å; V244-L354 HydrophobicContact CG1-CD2 3.97Å
245	T	88.3	Confident	88.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.5	-43.3	-177.9	52.9	0	0	0	0	111.4	M236 R242 F247 I248 A249 F361	M236-T245 HydrophobicContact CB-CG2 3.76Å; M236-T245 HydrophobicContact CE-CG2 3.48Å; M236-T245 VanDerWaalsContact CE-CG2 3.48Å; M236-T245 HydrophobicContact CG-CG2 4.34Å; M236-T245 HydrophobicContact SD-CG2 3.63Å; R242-T245 PolarHBondContact O-N 2.97Å; R242-T245 PolarHBondContact O-OG1 3.15Å; T245-F247 PolarHBondContact O-N 3.08Å; T245-I248 PolarHBondContact O-N 3.01Å; T245-A249 VanDerWaalsContact O-CB 3.28Å; T245-A249 WeakPolarHBondContact O-CB 3.38Å; T245-A249 PolarHBondContact O-N 2.87Å; T245-F361 HydrophobicContact CG2-CZ 3.85Å
246	N	90.2	Very high	88.6	Confident	30 Å²	30	39.6 Å²	39.6	16%	0.16	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-45.5	178.5	-68.6	-0.1	0	0	0	110.6	G241 R242 I248 A249 Q250	G241-N246 WeakPolarHBondContact CA-OD1 3.41Å; G241-N246 PolarHBondContact N-OD1 3.04Å; G241-N246 PolarHBondContact O-ND2 3.35Å; R242-N246 WeakPolarHBondContact O-CB 3.48Å; R242-N246 PolarHBondContact O-N 3.27Å; R242-N246 PolarHBondContact O-OD1 3.31Å; N246-I248 PolarHBondContact O-N 3.12Å; N246-A249 PolarHBondContact O-N 2.8Å; N246-Q250 VanDerWaalsContact O-CB 3.24Å; N246-Q250 WeakPolarHBondContact O-CB 3.3Å; N246-Q250 WeakPolarHBondContact O-CG 3.41Å; N246-Q250 PolarHBondContact O-N 3.01Å; N246-Q250 PolarHBondContact O-OE1 3.26Å
247	F	93.6	Very high	88.7	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-44	-179.5	-70.6	4.5	0	0	0	111.7	V243 T245 A251 I257 T258 V259 V301 L304 A305 V308	V243-F247 HydrophobicContact CG2-CD1 4.21Å; V243-F247 HydrophobicContact CG2-CD2 4Å; V243-F247 HydrophobicContact CG2-CE1 3.69Å; V243-F247 HydrophobicContact CG2-CE2 3.46Å; V243-F247 VanDerWaalsContact CG2-CE2 3.46Å; V243-F247 HydrophobicContact CG2-CG 4.36Å; V243-F247 HydrophobicContact CG2-CZ 3.29Å; V243-F247 WeakPolarHBondContact O-CB 3.35Å; V243-F247 VanDerWaalsContact O-CD1 3.29Å; V243-F247 WeakPolarHBondContact O-CD1 3.2Å; V243-F247 WeakPolarHBondContact O-CG 3.32Å; V243-F247 PolarHBondContact O-N 3.39Å; T245-F247 PolarHBondContact O-N 3.08Å; F247-A251 WeakPolarHBondContact O-CB 3.16Å; F247-A251 PolarHBondContact O-N 3.11Å; F247-I257 HydrophobicContact CB-CG2 4.28Å; F247-I257 HydrophobicContact CD1-CG2 3.52Å; F247-I257 HydrophobicContact CD2-CG2 4.15Å; F247-I257 HydrophobicContact CE1-CG2 3.77Å; F247-I257 HydrophobicContact CE2-CG2 4.35Å; F247-I257 HydrophobicContact CG-CG2 3.73Å; F247-I257 HydrophobicContact CZ-CG2 4.16Å; F247-T258 WeakPolarHBondContact CE1-O 3.3Å; F247-V259 HydrophobicContact CZ-CG2 3.89Å; F247-V301 HydrophobicContact CE2-CG1 3.92Å; F247-V301 HydrophobicContact CZ-CG1 3.6Å; F247-L304 HydrophobicContact CD2-CD2 4.02Å; F247-L304 HydrophobicContact CD2-CG 3.98Å; F247-L304 HydrophobicContact CE2-CB 4.44Å; F247-L304 HydrophobicContact CE2-CD2 4.13Å; F247-L304 HydrophobicContact CE2-CG 4.23Å; F247-A305 HydrophobicContact CD2-CB 4.03Å; F247-A305 HydrophobicContact CE2-CB 3.65Å; F247-A305 HydrophobicContact CZ-CB 4.29Å; F247-V308 HydrophobicContact CB-CB 4.24Å; F247-V308 HydrophobicContact CB-CG1 4.03Å; F247-V308 HydrophobicContact CB-CG2 4.12Å
248	I	93.4	Very high	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-46.8	178.5	-67.6	169.7	0	0	0	110.3	V244 T245 N246 A251 L252 V308 L354 T357 I358 F361	V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 VanDerWaalsContact O-CG1 3.26Å; V244-I248 WeakPolarHBondContact O-CG1 3.29Å; V244-I248 PolarHBondContact O-N 3.15Å; V244-I248 VanDerWaalsContact O-N 3.09Å; T245-I248 PolarHBondContact O-N 3.01Å; N246-I248 PolarHBondContact O-N 3.12Å; I248-A251 PolarHBondContact O-N 2.87Å; I248-L252 HydrophobicContact CG2-CD1 3.69Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 WeakPolarHBondContact O-CB 3.44Å; I248-L252 VanDerWaalsContact O-CG 3.22Å; I248-L252 WeakPolarHBondContact O-CG 3.24Å; I248-L252 PolarHBondContact O-N 3.24Å; I248-V308 HydrophobicContact CB-CG1 4.5Å; I248-V308 HydrophobicContact CG1-CG1 3.92Å; I248-V308 HydrophobicContact CG1-CG2 4.18Å; I248-L354 HydrophobicContact CD1-CD2 4.19Å; I248-T357 HydrophobicContact CD1-CG2 3.74Å; I248-I358 HydrophobicContact CD1-CG1 3.94Å; I248-I358 HydrophobicContact CG1-CG1 3.94Å; I248-I358 HydrophobicContact CG2-CG1 4.04Å; I248-F361 HydrophobicContact CG2-CB 3.62Å; I248-F361 HydrophobicContact CG2-CD1 3.82Å; I248-F361 HydrophobicContact CG2-CD2 4.37Å; I248-F361 HydrophobicContact CG2-CG 3.69Å
249	A	91.6	Very high	89.4	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-48.7	179.5	0	0	0	0	0	111.9	I238 T245 N246 A251 L252 N253	I238-A249 HydrophobicContact CG2-CB 3.75Å; T245-A249 VanDerWaalsContact O-CB 3.28Å; T245-A249 WeakPolarHBondContact O-CB 3.38Å; T245-A249 PolarHBondContact O-N 2.87Å; N246-A249 PolarHBondContact O-N 2.8Å; A249-A251 PolarHBondContact O-N 3.44Å; A249-L252 PolarHBondContact O-N 2.83Å; A249-N253 WeakPolarHBondContact O-CB 3.5Å; A249-N253 PolarHBondContact O-N 3.46Å; A249-N253 PolarHBondContact O-ND2 3.45Å
250	Q	93.7	Very high	89.9	Confident	30 Å²	30	34.3 Å²	34.3	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-49	177.7	-73.8	170.9	-24	0	0	111.2	N246 L252 N253 N254 E255 T258	N246-Q250 VanDerWaalsContact O-CB 3.24Å; N246-Q250 WeakPolarHBondContact O-CB 3.3Å; N246-Q250 WeakPolarHBondContact O-CG 3.41Å; N246-Q250 PolarHBondContact O-N 3.01Å; N246-Q250 PolarHBondContact O-OE1 3.26Å; Q250-L252 PolarHBondContact O-N 3.21Å; Q250-N253 PolarHBondContact O-N 2.99Å; Q250-N254 PolarHBondContact O-N 3.19Å; Q250-N254 VanDerWaalsContact O-N 3.16Å; Q250-E255 CarbonylContact C-O 3.54Å; Q250-E255 HydrophobicContact CB-CB 4.21Å; Q250-E255 HydrophobicContact CG-CB 4.38Å; Q250-E255 PolarHBondContact O-N 3.05Å; Q250-T258 PolarHBondContact NE2-OG1 3.25Å
251	A	93.6	Very high	90.3	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-41.3	-179.2	0	0	0	0	0	112.7	F247 I248 A249 N254 I257 V308 T312 S314	F247-A251 WeakPolarHBondContact O-CB 3.16Å; F247-A251 PolarHBondContact O-N 3.11Å; I248-A251 PolarHBondContact O-N 2.87Å; A249-A251 PolarHBondContact O-N 3.44Å; A251-N254 PolarHBondContact O-N 2.78Å; A251-I257 HydrophobicContact CB-CD1 4.1Å; A251-I257 HydrophobicContact CB-CG1 4.37Å; A251-V308 HydrophobicContact CB-CG1 4Å; A251-T312 HydrophobicContact CB-CG2 4.1Å; A251-T312 WeakPolarHBondContact CB-OG1 3.44Å; A251-S314 WeakPolarHBondContact O-CB 3.44Å; A251-S314 PolarHBondContact O-OG 2.75Å
252	L	92.5	Very high	90.8	Very high	37 Å²	37	39.1 Å²	39.1	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-71.9	-29.9	178.4	-70	177.3	0	0	0	113.2	I248 A249 Q250 N254 T312 F361 K362 L365	I248-L252 HydrophobicContact CG2-CD1 3.69Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 WeakPolarHBondContact O-CB 3.44Å; I248-L252 VanDerWaalsContact O-CG 3.22Å; I248-L252 WeakPolarHBondContact O-CG 3.24Å; I248-L252 PolarHBondContact O-N 3.24Å; A249-L252 PolarHBondContact O-N 2.83Å; Q250-L252 PolarHBondContact O-N 3.21Å; L252-N254 VanDerWaalsContact C-N 3.3Å; L252-T312 HydrophobicContact CD2-CG2 3.81Å; L252-T312 HydrophobicContact CG-CG2 4.05Å; L252-F361 HydrophobicContact CD1-CB 3.75Å; L252-K362 HydrophobicContact CD1-CG 3.94Å; L252-K362 HydrophobicContact CD2-CD 4.24Å; L252-K362 VanDerWaalsContact CD2-CE 3.5Å; L252-K362 HydrophobicContact CD2-CG 3.66Å; L252-K362 HydrophobicContact CG-CG 4.48Å; L252-L365 HydrophobicContact CB-CD1 4.04Å; L252-L365 HydrophobicContact CD1-CD1 3.92Å
253	N	91.9	Very high	90.8	Very high	77 Å²	77	36 Å²	36	41%	0.412	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.5	175.9	-69.5	-24.1	0	0	0	113.5	A249 Q250 E255	A249-N253 WeakPolarHBondContact O-CB 3.5Å; A249-N253 PolarHBondContact O-N 3.46Å; A249-N253 PolarHBondContact O-ND2 3.45Å; Q250-N253 PolarHBondContact O-N 2.99Å; N253-E255 HydrophobicContact CB-CG 4.01Å; N253-E255 PolarHBondContact O-N 3.04Å
254	N	91.7	Very high	90.7	Very high	124 Å²	124	40.8 Å²	40.8	66%	0.663	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	28.3	-172.7	-56.8	-68.7	0	0	0	114.1	Q250 A251 L252	Q250-N254 PolarHBondContact O-N 3.19Å; Q250-N254 VanDerWaalsContact O-N 3.16Å; A251-N254 PolarHBondContact O-N 2.78Å; L252-N254 VanDerWaalsContact C-N 3.3Å
255	E	93.5	Very high	90.5	Very high	102 Å²	102	42.1 Å²	42.1	48%	0.477	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-90.4	154.3	172.7	-61.8	174.1	177.8	0	0	110.4	Q250 N253 I257 S316	Q250-E255 CarbonylContact C-O 3.54Å; Q250-E255 HydrophobicContact CB-CB 4.21Å; Q250-E255 HydrophobicContact CG-CB 4.38Å; Q250-E255 PolarHBondContact O-N 3.05Å; N253-E255 HydrophobicContact CB-CG 4.01Å; N253-E255 PolarHBondContact O-N 3.04Å; E255-I257 PolarHBondContact O-N 3.46Å; E255-S316 WeakPolarHBondContact O-CB 3.24Å; E255-S316 PolarHBondContact O-OG 2.88Å
256	S	95	Very high	90.5	Very high	46 Å²	46	43.4 Å²	43.4	32%	0.322	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-60.4	131.6	176.1	-56.5	0	0	0	0	111.9	T258 D317	S256-T258 PolarHBondContact O-N 3.43Å; S256-T258 PolarHBondContact O-OG1 3.01Å; S256-D317 CarbonylContact C-O 3.57Å; S256-D317 VanDerWaalsContact CA-O 3.28Å; S256-D317 WeakPolarHBondContact CA-O 3.28Å
257	I	93.6	Very high	90.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.5	175.3	-61.2	175.2	0	0	0	108	F247 A251 E255 A305 K309 D317 I318 I319	F247-I257 HydrophobicContact CB-CG2 4.28Å; F247-I257 HydrophobicContact CD1-CG2 3.52Å; F247-I257 HydrophobicContact CD2-CG2 4.15Å; F247-I257 HydrophobicContact CE1-CG2 3.77Å; F247-I257 HydrophobicContact CE2-CG2 4.35Å; F247-I257 HydrophobicContact CG-CG2 3.73Å; F247-I257 HydrophobicContact CZ-CG2 4.16Å; A251-I257 HydrophobicContact CB-CD1 4.1Å; A251-I257 HydrophobicContact CB-CG1 4.37Å; E255-I257 PolarHBondContact O-N 3.46Å; I257-A305 HydrophobicContact CG2-CB 4.07Å; I257-K309 HydrophobicContact CD1-CB 4.14Å; I257-D317 PolarHBondContact N-O 3.13Å; I257-I318 HydrophobicContact CB-CG1 4.28Å; I257-I318 WeakPolarHBondContact O-CA 3.17Å; I257-I319 PolarHBondContact O-N 3.4Å
258	T	93	Very high	90.3	Very high	17 Å²	17	42.5 Å²	42.5	10%	0.104	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.8	-172.2	-54.4	0	0	0	0	111.7	F247 Q250 S256 Y260 I319 Q321	F247-T258 WeakPolarHBondContact CE1-O 3.3Å; Q250-T258 PolarHBondContact NE2-OG1 3.25Å; S256-T258 PolarHBondContact O-N 3.43Å; S256-T258 PolarHBondContact O-OG1 3.01Å; T258-Y260 HydrophobicContact CG2-CE1 4.48Å; T258-I319 HydrophobicContact CG2-CG1 4.49Å; T258-Q321 HydrophobicContact CG2-CB 4.2Å; T258-Q321 HydrophobicContact CG2-CG 3.7Å
259	V	90.8	Very high	90.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.9	175.1	173.8	0	0	0	0	109.4	F247 G263 V301 A305 I318 I319 Y320 Q321	F247-V259 HydrophobicContact CZ-CG2 3.89Å; V259-G263 VanDerWaalsContact CG1-CA 3.47Å; V259-V301 HydrophobicContact CG1-CG1 3.94Å; V259-V301 HydrophobicContact CG2-CG1 4.26Å; V259-A305 HydrophobicContact CG2-CB 4.25Å; V259-I318 HydrophobicContact CB-CG2 4.41Å; V259-I318 HydrophobicContact CG2-CG2 3.63Å; V259-I319 PolarHBondContact N-O 2.84Å; V259-Y320 HydrophobicContact CB-CD1 3.81Å; V259-Y320 HydrophobicContact CB-CE1 3.99Å; V259-Y320 HydrophobicContact CG1-CD1 3.74Å; V259-Y320 HydrophobicContact CG1-CE1 3.81Å; V259-Y320 CarbonylContact O-C 3.58Å; V259-Y320 VanDerWaalsContact O-CA 3.22Å; V259-Y320 WeakPolarHBondContact O-CA 3.38Å; V259-Q321 PolarHBondContact O-N 3.49Å
260	Y	86.3	Confident	90.5	Very high	93 Å²	93	42.4 Å²	42.4	37%	0.365	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.8	173.1	-63.2	-79.7	0	0	0	110.6	T258 Q265 Q321 P322 L323 P324	T258-Y260 HydrophobicContact CG2-CE1 4.48Å; Y260-Q265 PolarHBondContact O-NE2 3.3Å; Y260-Q321 CarbonylContact C-O 3.46Å; Y260-Q321 WeakPolarHBondContact CA-O 3.26Å; Y260-Q321 HydrophobicContact CD1-CB 3.65Å; Y260-Q321 HydrophobicContact CE1-CB 3.83Å; Y260-P322 VanDerWaalsContact CD1-O 3.28Å; Y260-P322 WeakPolarHBondContact CD1-O 3.29Å; Y260-L323 WeakPolarHBondContact O-CD2 3.49Å; Y260-P324 HydrophobicContact CG-CG 4.42Å
261	G	85.9	Confident	90.8	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-154	-170.2	0	0	0	0	0	112.6	G263 Y320 Q321	G261-G263 VanDerWaalsContact C-N 3.29Å; G261-Y320 VanDerWaalsContact O-CD1 3.29Å; G261-Y320 WeakPolarHBondContact O-CD1 3.48Å; G261-Q321 PolarHBondContact N-O 3.43Å
262	L	86.8	Confident	91	Very high	124 Å²	124	41.9 Å²	41.9	65%	0.649	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.9	174.7	-60.4	179	0	0	0	112.9	E264 N302	L262-E264 VanDerWaalsContact C-N 3.26Å; L262-E264 HydrophobicContact CB-CG 4.14Å; L262-E264 PolarHBondContact O-N 3.2Å; L262-N302 PolarHBondContact O-ND2 3.09Å
263	G	84.7	Confident	91.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	76.4	7.7	-178.8	0	0	0	0	0	115.1	V259 G261 Q265 V301 N302	V259-G263 VanDerWaalsContact CG1-CA 3.47Å; G261-G263 VanDerWaalsContact C-N 3.29Å; G263-Q265 VanDerWaalsContact C-N 3.33Å; G263-Q265 VanDerWaalsContact C-OE1 3.26Å; G263-V301 PolarHBondContact O-N 3.18Å; G263-N302 PolarHBondContact O-N 3.05Å; G263-N302 VanDerWaalsContact O-N 3.12Å; G263-N302 PolarHBondContact O-ND2 3.18Å
264	E	86.2	Confident	91.6	Very high	143 Å²	143	38.6 Å²	38.6	67%	0.668	20%	0.2	S	C	*	.			trans	-78.7	-15.9	178.7	-60.8	-173.7	140.7	0	0	113.2	L262 T266	L262-E264 VanDerWaalsContact C-N 3.26Å; L262-E264 HydrophobicContact CB-CG 4.14Å; L262-E264 PolarHBondContact O-N 3.2Å; E264-T266 PolarHBondContact O-N 3.22Å
265	Q	84.8	Confident	91.9	Very high	32 Å²	32	32.7 Å²	32.7	15%	0.15	17%	0.169	C	C	.	.			trans	-61.2	137.1	176.9	69.3	-81.7	17.7	0	0	110.8	Y260 G263 T300 V301 Q329	Y260-Q265 PolarHBondContact O-NE2 3.3Å; G263-Q265 VanDerWaalsContact C-N 3.33Å; G263-Q265 VanDerWaalsContact C-OE1 3.26Å; Q265-T300 WeakPolarHBondContact O-CA 3.26Å; Q265-V301 HydrophobicContact CG-CB 4.49Å; Q265-V301 HydrophobicContact CG-CG2 3.69Å; Q265-V301 PolarHBondContact O-N 2.97Å; Q265-V301 VanDerWaalsContact O-N 3.13Å; Q265-Q329 WeakPolarHBondContact CB-O 3.4Å
266	T	86.7	Confident	92.2	Very high	27 Å²	27	28.1 Å²	28.1	17%	0.166	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145.3	-178.1	57.5	0	0	0	0	111.7	E264 E298 F299 T300	E264-T266 PolarHBondContact O-N 3.22Å; T266-E298 VanDerWaalsContact CB-OE2 3.3Å; T266-E298 WeakPolarHBondContact CB-OE2 3.21Å; T266-E298 PolarHBondContact OG1-OE1 3.07Å; T266-E298 VanDerWaalsContact OG1-OE1 3.14Å; T266-E298 PolarHBondContact OG1-OE2 2.82Å; T266-F299 CarbonylContact C-O 3.57Å; T266-F299 WeakPolarHBondContact CA-O 3.33Å; T266-T300 HydrophobicContact CG2-CG2 4.06Å
267	R	88.3	Confident	92.3	Very high	15 Å²	15	29.2 Å²	29.2	6%	0.057	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.6	175.9	-63.6	-67	-177.7	-87.4	-2.1	109.5	F269 F299 D327 P328 Q329	R267-F269 HydrophobicContact CB-CE1 4.14Å; R267-F269 HydrophobicContact CB-CE2 3.79Å; R267-F269 HydrophobicContact CB-CZ 3.51Å; R267-F269 HydrophobicContact CG-CZ 4.24Å; R267-F299 PolarHBondContact N-O 2.76Å; R267-F299 PolarHBondContact O-N 3.07Å; R267-D327 IonicContact CZ-OD2 3.66Å; R267-D327 IonicContact NH2-OD2 3.72Å; R267-D327 PolarHBondContact NH2-OD2 2.76Å; R267-P328 PolarHBondContact NH1-O 2.93Å; R267-P328 VanDerWaalsContact NH1-O 3.09Å; R267-P328 PolarHBondContact NH2-O 3.25Å; R267-Q329 PolarHBondContact NH1-O 2.93Å
268	S	91.8	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.7	161.1	59.5	0	0	0	0	112.3	N230 N295 V297 R331	N230-S268 VanDerWaalsContact CB-O 3.32Å; N230-S268 WeakPolarHBondContact CB-O 3.41Å; S268-N295 WeakPolarHBondContact CB-O 3.49Å; S268-V297 WeakPolarHBondContact CA-O 3.24Å; S268-R331 PolarHBondContact N-O 3.13Å; S268-R331 VanDerWaalsContact N-O 3.16Å; S268-R331 PolarHBondContact OG-O 3.22Å
269	F	93.8	Very high	92.9	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.026	15%	0.145	C	C	.	.			trans	-127.5	120.4	174	-60.3	-74.6	0	0	0	111.6	Y232 V243 V244 R267 N295 F299 L304 L350	Y232-F269 HydrophobicContact CD1-CB 3.87Å; Y232-F269 HydrophobicContact CE1-CB 3.77Å; V243-F269 HydrophobicContact CG1-CE1 3.62Å; V243-F269 HydrophobicContact CG1-CZ 3.74Å; V244-F269 HydrophobicContact CG2-CD1 3.66Å; V244-F269 HydrophobicContact CG2-CE1 3.62Å; V244-F269 HydrophobicContact CG2-CG 4.45Å; V244-F269 HydrophobicContact CG2-CZ 4.38Å; R267-F269 HydrophobicContact CB-CE1 4.14Å; R267-F269 HydrophobicContact CB-CE2 3.79Å; R267-F269 HydrophobicContact CB-CZ 3.51Å; R267-F269 HydrophobicContact CG-CZ 4.24Å; F269-N295 VanDerWaalsContact O-CB 3.28Å; F269-N295 WeakPolarHBondContact O-CB 3.41Å; F269-N295 PolarHBondContact O-ND2 3.14Å; F269-N295 VanDerWaalsContact O-ND2 3.09Å; F269-F299 HydrophobicContact CD2-CD2 4.25Å; F269-F299 HydrophobicContact CE2-CB 4.41Å; F269-L304 HydrophobicContact CE1-CD2 4.16Å; F269-L304 HydrophobicContact CE2-CD2 3.91Å; F269-L304 HydrophobicContact CZ-CD2 3.56Å; F269-L350 HydrophobicContact CB-CD1 3.96Å; F269-L350 HydrophobicContact CD2-CD1 4.37Å; F269-L350 HydrophobicContact CD2-CD2 4.41Å; F269-L350 HydrophobicContact CG-CD1 4.38Å
270	Q	96.6	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.1	175.8	174	171.5	-98.9	0	0	110.6	N230 T231 Y232 D274 L275 L293 G294 N295 W344	N230-Q270 PolarHBondContact O-N 3.09Å; T231-Q270 CarbonylContact C-O 3.49Å; T231-Q270 WeakPolarHBondContact CA-O 3.3Å; T231-Q270 WeakPolarHBondContact CG2-O 3.49Å; T231-Q270 PolarHBondContact OG1-NE2 2.92Å; T231-Q270 VanDerWaalsContact OG1-NE2 3.16Å; Y232-Q270 WeakPolarHBondContact CD1-O 3.38Å; Y232-Q270 PolarHBondContact N-O 3.3Å; Q270-D274 HydrophobicContact CG-CB 4.1Å; Q270-L275 HydrophobicContact CG-CB 4.46Å; Q270-L293 PolarHBondContact NE2-O 2.95Å; Q270-G294 VanDerWaalsContact OE1-N 3.13Å; Q270-N295 HydrophobicContact CB-CB 4.3Å; Q270-W344 VanDerWaalsContact OE1-CZ2 3.25Å
271	Y	98.1	Very high	93.8	Very high	18 Å²	18	25.6 Å²	25.6	7%	0.071	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.7	174.3	-169.6	-113.3	0	0	0	111.4	Y232 P234 S273 D274 L275 V348 G353 K356	Y232-Y271 HydrophobicContact CD2-CD2 4.36Å; Y232-Y271 HydrophobicContact CE1-CD2 4.47Å; Y232-Y271 AromaticContact CE2-CD2 3.86Å; Y232-Y271 HydrophobicContact CE2-CD2 3.86Å; Y232-Y271 HydrophobicContact CE2-CE2 4.45Å; Y232-Y271 AromaticContact CZ-CD2 3.9Å; P234-Y271 WeakPolarHBondContact CD-OH 3.49Å; Y271-S273 VanDerWaalsContact C-N 3.32Å; Y271-S273 VanDerWaalsContact CD1-OG 3.26Å; Y271-S273 WeakPolarHBondContact CD1-OG 3.26Å; Y271-S273 PolarHBondContact O-N 3.38Å; Y271-D274 WeakPolarHBondContact O-CB 3.41Å; Y271-D274 PolarHBondContact O-N 2.78Å; Y271-L275 PolarHBondContact O-N 2.85Å; Y271-V348 HydrophobicContact CD1-CB 3.96Å; Y271-V348 HydrophobicContact CD1-CG1 3.68Å; Y271-V348 HydrophobicContact CD1-CG2 3.88Å; Y271-V348 HydrophobicContact CE1-CG1 4.41Å; Y271-V348 HydrophobicContact CG-CB 4.14Å; Y271-V348 HydrophobicContact CG-CG1 3.74Å; Y271-G353 VanDerWaalsContact CD2-CA 3.41Å; Y271-G353 WeakPolarHBondContact CE2-O 3.21Å; Y271-K356 HydrophobicContact CE1-CD 4.29Å; Y271-K356 WeakPolarHBondContact OH-CB 3.46Å
272	I	98.2	Very high	94.4	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-36.2	-170.8	-174	54.3	0	0	0	114.9	F69 V70 H73 T231 Y232 D274 L275 V276	F69-I272 HydrophobicContact CD2-CG1 4.48Å; F69-I272 HydrophobicContact CE1-CD1 4.21Å; F69-I272 HydrophobicContact CE2-CB 3.86Å; F69-I272 HydrophobicContact CE2-CD1 3.93Å; F69-I272 HydrophobicContact CE2-CG1 3.65Å; F69-I272 HydrophobicContact CE2-CG2 4.35Å; F69-I272 HydrophobicContact CZ-CB 3.72Å; F69-I272 HydrophobicContact CZ-CD1 3.75Å; F69-I272 HydrophobicContact CZ-CG1 3.79Å; V70-I272 HydrophobicContact CB-CD1 4.24Å; V70-I272 HydrophobicContact CG1-CD1 4.19Å; V70-I272 HydrophobicContact CG2-CD1 3.96Å; H73-I272 HydrophobicContact CB-CD1 4.46Å; H73-I272 HydrophobicContact CB-CG1 3.89Å; H73-I272 VanDerWaalsContact CD2-CG1 3.44Å; H73-I272 WeakPolarHBondContact CD2-CG1 3.22Å; T231-I272 HydrophobicContact CG2-CB 4.28Å; T231-I272 HydrophobicContact CG2-CD1 3.92Å; Y232-I272 PolarHBondContact O-N 2.71Å; I272-D274 VanDerWaalsContact C-N 3.3Å; I272-D274 PolarHBondContact O-N 2.73Å; I272-L275 HydrophobicContact CD1-CB 4.5Å; I272-L275 HydrophobicContact CD1-CD2 4.24Å; I272-L275 PolarHBondContact O-N 3.05Å; I272-V276 HydrophobicContact CD1-CG2 4.23Å; I272-V276 HydrophobicContact CG1-CG2 4.44Å; I272-V276 WeakPolarHBondContact O-CG2 3.27Å; I272-V276 PolarHBondContact O-N 3.18Å
273	S	98.3	Very high	95	Very high	44 Å²	44	19 Å²	19	31%	0.308	10%	0.101	S	C	.	.	H	α-helix	trans	-65.6	-36	178.7	60.3	0	0	0	0	112.1	Y271 V276 N277	Y271-S273 VanDerWaalsContact C-N 3.32Å; Y271-S273 VanDerWaalsContact CD1-OG 3.26Å; Y271-S273 WeakPolarHBondContact CD1-OG 3.26Å; Y271-S273 PolarHBondContact O-N 3.38Å; S273-V276 PolarHBondContact O-N 3.16Å; S273-N277 WeakPolarHBondContact O-CB 3Å; S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 2.63Å; S273-N277 PolarHBondContact O-ND2 2.69Å
274	D	98.6	Very high	95.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-65.3	-43.6	177	-67.6	-33.5	0	0	0	110.3	Q270 Y271 I272 V276 N277 G278 W344 P346 T347 V348	Q270-D274 HydrophobicContact CG-CB 4.1Å; Y271-D274 WeakPolarHBondContact O-CB 3.41Å; Y271-D274 PolarHBondContact O-N 2.78Å; I272-D274 VanDerWaalsContact C-N 3.3Å; I272-D274 PolarHBondContact O-N 2.73Å; D274-V276 PolarHBondContact O-N 3.31Å; D274-N277 PolarHBondContact O-N 2.76Å; D274-G278 PolarHBondContact O-N 3.38Å; D274-W344 HydrophobicContact CB-CZ2 4.23Å; D274-W344 WeakPolarHBondContact O-CZ2 3.42Å; D274-W344 PolarHBondContact O-NE1 3.46Å; D274-P346 HydrophobicContact CB-CB 4.05Å; D274-P346 WeakPolarHBondContact OD2-CA 3.37Å; D274-P346 WeakPolarHBondContact OD2-CB 3.33Å; D274-T347 VanDerWaalsContact CG-N 3.35Å; D274-T347 PolarHBondContact OD1-N 2.79Å; D274-T347 VanDerWaalsContact OD1-N 3.1Å; D274-T347 PolarHBondContact OD1-OG1 2.98Å; D274-T347 PolarHBondContact OD2-N 2.77Å; D274-V348 WeakPolarHBondContact OD2-CB 3.25Å; D274-V348 PolarHBondContact OD2-N 3.21Å
275	L	98.8	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-50.4	174.5	176.6	58.3	0	0	0	111.4	V70 I228 T231 Q270 Y271 I272 N277 G278 L279 L293	V70-L275 HydrophobicContact CB-CD2 4.34Å; V70-L275 HydrophobicContact CG1-CD2 3.58Å; V70-L275 HydrophobicContact CG1-CG 4.27Å; V70-L275 HydrophobicContact CG2-CD2 3.73Å; I228-L275 HydrophobicContact CB-CD1 4.46Å; I228-L275 HydrophobicContact CD1-CD1 4.16Å; I228-L275 HydrophobicContact CD1-CD2 4.31Å; I228-L275 HydrophobicContact CG1-CD1 3.93Å; I228-L275 HydrophobicContact CG2-CD1 3.9Å; I228-L275 HydrophobicContact CG2-CD2 3.74Å; T231-L275 HydrophobicContact CG2-CB 3.95Å; T231-L275 HydrophobicContact CG2-CD2 3.72Å; T231-L275 HydrophobicContact CG2-CG 4.48Å; Q270-L275 HydrophobicContact CG-CB 4.46Å; Y271-L275 PolarHBondContact O-N 2.85Å; I272-L275 HydrophobicContact CD1-CB 4.5Å; I272-L275 HydrophobicContact CD1-CD2 4.24Å; I272-L275 PolarHBondContact O-N 3.05Å; L275-N277 VanDerWaalsContact C-N 3.32Å; L275-N277 PolarHBondContact O-N 3.33Å; L275-G278 CarbonylContact O-C 3.46Å; L275-G278 WeakPolarHBondContact O-CA 2.9Å; L275-G278 PolarHBondContact O-N 3.03Å; L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CD2 4.38Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.3Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.37Å; L275-L293 HydrophobicContact CD1-CB 4.02Å; L275-L293 HydrophobicContact CD1-CD1 4.06Å
276	V	98.8	Very high	96.8	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-43.6	-178.1	169.1	0	0	0	0	111.1	H73 L74 K77 I272 S273 D274 G278 L279 V280	H73-V276 HydrophobicContact CB-CG2 3.73Å; L74-V276 HydrophobicContact CB-CG2 4.48Å; L74-V276 HydrophobicContact CD1-CG1 4.19Å; K77-V276 HydrophobicContact CB-CG1 3.56Å; K77-V276 HydrophobicContact CG-CG1 3.75Å; I272-V276 HydrophobicContact CD1-CG2 4.23Å; I272-V276 HydrophobicContact CG1-CG2 4.44Å; I272-V276 WeakPolarHBondContact O-CG2 3.27Å; I272-V276 PolarHBondContact O-N 3.18Å; S273-V276 PolarHBondContact O-N 3.16Å; D274-V276 PolarHBondContact O-N 3.31Å; V276-G278 VanDerWaalsContact C-N 3.27Å; V276-G278 PolarHBondContact O-N 3.46Å; V276-L279 PolarHBondContact O-N 2.73Å; V276-V280 WeakPolarHBondContact O-CG2 3.34Å; V276-V280 PolarHBondContact O-N 2.71Å
277	N	98.7	Very high	97.4	Very high	70 Å²	70	25.1 Å²	25.1	37%	0.374	13%	0.133	S	C	.	.	H	α-helix	trans	-60.4	-38.7	174	-70.7	-23.5	0	0	0	111.8	S273 D274 L275 A281	S273-N277 WeakPolarHBondContact O-CB 3Å; S273-N277 VanDerWaalsContact O-CG 3.23Å; S273-N277 PolarHBondContact O-N 2.63Å; S273-N277 PolarHBondContact O-ND2 2.69Å; D274-N277 PolarHBondContact O-N 2.76Å; L275-N277 VanDerWaalsContact C-N 3.32Å; L275-N277 PolarHBondContact O-N 3.33Å; N277-A281 VanDerWaalsContact O-CB 3.27Å; N277-A281 WeakPolarHBondContact O-CB 3.17Å; N277-A281 PolarHBondContact O-N 3.5Å
278	G	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-39	177.4	0	0	0	0	0	113	D274 L275 V276 L282 W344	D274-G278 PolarHBondContact O-N 3.38Å; L275-G278 CarbonylContact O-C 3.46Å; L275-G278 WeakPolarHBondContact O-CA 2.9Å; L275-G278 PolarHBondContact O-N 3.03Å; V276-G278 VanDerWaalsContact C-N 3.27Å; V276-G278 PolarHBondContact O-N 3.46Å; G278-L282 VanDerWaalsContact O-CB 3.29Å; G278-L282 WeakPolarHBondContact O-CB 3.45Å; G278-L282 PolarHBondContact O-N 3.27Å; G278-W344 VanDerWaalsContact CA-NE1 3.26Å; G278-W344 VanDerWaalsContact N-NE1 3.11Å
279	L	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-45.9	175.6	-68.7	174.7	0	0	0	111.5	V70 Y127 L129 L168 A226 I228 L275 V276 L282 M283 L293	V70-L279 HydrophobicContact CG1-CD1 3.85Å; Y127-L279 HydrophobicContact CE1-CB 4.36Å; L129-L279 HydrophobicContact CD2-CD1 4.4Å; L168-L279 HydrophobicContact CD1-CD2 4.39Å; L168-L279 HydrophobicContact CD2-CD2 3.99Å; A226-L279 HydrophobicContact CB-CD2 3.62Å; I228-L279 HydrophobicContact CD1-CD2 4.3Å; L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CD2 4.38Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.3Å; L275-L279 WeakPolarHBondContact O-CG 3.37Å; L275-L279 PolarHBondContact O-N 3.37Å; V276-L279 PolarHBondContact O-N 2.73Å; L279-L282 PolarHBondContact O-N 3Å; L279-M283 PolarHBondContact O-N 3.5Å; L279-L293 HydrophobicContact CD2-CD1 3.92Å; L279-L293 HydrophobicContact CG-CD1 4.27Å
280	V	98.8	Very high	98.3	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-48.4	176.8	173.9	0	0	0	0	110.5	L74 K77 L78 V276 L282 M283 E284	L74-V280 HydrophobicContact CD1-CG2 3.88Å; K77-V280 HydrophobicContact CG-CG2 4.04Å; L78-V280 HydrophobicContact CD2-CG2 4.43Å; V276-V280 WeakPolarHBondContact O-CG2 3.34Å; V276-V280 PolarHBondContact O-N 2.71Å; V280-L282 VanDerWaalsContact C-N 3.3Å; V280-L282 PolarHBondContact O-N 2.74Å; V280-M283 PolarHBondContact O-N 2.75Å; V280-M283 VanDerWaalsContact O-N 3.17Å; V280-E284 HydrophobicContact CG1-CG 4.4Å; V280-E284 WeakPolarHBondContact O-CG 3.43Å; V280-E284 PolarHBondContact O-N 2.96Å
281	A	98.7	Very high	98.5	Very high	23 Å²	23	31.1 Å²	31.1	19%	0.19	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-40.7	178.1	0	0	0	0	0	112.2	N277 E284 S285 L342	N277-A281 VanDerWaalsContact O-CB 3.27Å; N277-A281 WeakPolarHBondContact O-CB 3.17Å; N277-A281 PolarHBondContact O-N 3.5Å; A281-E284 PolarHBondContact O-N 3.18Å; A281-S285 WeakPolarHBondContact O-CB 3.23Å; A281-S285 PolarHBondContact O-N 2.88Å; A281-L342 HydrophobicContact CB-CB 4.2Å
282	L	98.8	Very high	98.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-46.1	175.7	-179.5	61.5	0	0	0	111.8	L168 R224 A226 G278 L279 V280 E284 S285 V291 L342	L168-L282 HydrophobicContact CD1-CB 4.4Å; L168-L282 HydrophobicContact CD1-CD2 4.15Å; L168-L282 HydrophobicContact CD1-CG 4.33Å; R224-L282 HydrophobicContact CB-CD1 4.46Å; R224-L282 HydrophobicContact CB-CD2 4.08Å; R224-L282 HydrophobicContact CB-CG 3.9Å; R224-L282 WeakPolarHBondContact CD-O 3.43Å; R224-L282 HydrophobicContact CG-CG 4.22Å; R224-L282 PolarHBondContact NE-O 2.85Å; R224-L282 VanDerWaalsContact NE-O 3.14Å; A226-L282 HydrophobicContact CB-CD2 3.81Å; G278-L282 VanDerWaalsContact O-CB 3.29Å; G278-L282 WeakPolarHBondContact O-CB 3.45Å; G278-L282 PolarHBondContact O-N 3.27Å; L279-L282 PolarHBondContact O-N 3Å; V280-L282 VanDerWaalsContact C-N 3.3Å; V280-L282 PolarHBondContact O-N 2.74Å; L282-E284 VanDerWaalsContact C-N 3.29Å; L282-E284 PolarHBondContact O-N 3.43Å; L282-S285 PolarHBondContact O-N 3.23Å; L282-S285 PolarHBondContact O-OG 3.47Å; L282-V291 HydrophobicContact CD1-CB 4.33Å; L282-V291 HydrophobicContact CD1-CG2 3.78Å; L282-L342 HydrophobicContact CB-CD1 3.84Å; L282-L342 HydrophobicContact CB-CD2 4.36Å; L282-L342 HydrophobicContact CD1-CD1 4.15Å; L282-L342 HydrophobicContact CD1-CD2 3.95Å
283	M	98.8	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-42.9	176.3	-172.3	65.9	91.5	0	0	111.7	E125 I126 Y127 K166 L168 L279 V280	E125-M283 HydrophobicContact CB-CE 4.18Å; E125-M283 HydrophobicContact CB-SD 4.49Å; E125-M283 WeakPolarHBondContact OE2-CG 3.07Å; I126-M283 WeakPolarHBondContact O-CE 3.43Å; Y127-M283 HydrophobicContact CD1-CE 3.78Å; Y127-M283 HydrophobicContact CD2-CE 3.5Å; Y127-M283 VanDerWaalsContact CD2-CE 3.5Å; Y127-M283 HydrophobicContact CE1-CB 3.83Å; Y127-M283 HydrophobicContact CE1-CE 3.71Å; Y127-M283 HydrophobicContact CE1-CG 4.2Å; Y127-M283 HydrophobicContact CE2-CB 4.48Å; Y127-M283 HydrophobicContact CE2-CE 3.4Å; Y127-M283 VanDerWaalsContact CE2-CE 3.4Å; Y127-M283 HydrophobicContact CE2-CG 4.02Å; Y127-M283 HydrophobicContact CG-CE 3.7Å; Y127-M283 WeakPolarHBondContact OH-CB 3.45Å; Y127-M283 VanDerWaalsContact OH-CG 3.28Å; Y127-M283 WeakPolarHBondContact OH-CG 3.23Å; K166-M283 HydrophobicContact CB-SD 4.08Å; K166-M283 HydrophobicContact CD-CG 4.11Å; K166-M283 WeakPolarHBondContact CD-O 3.43Å; K166-M283 HydrophobicContact CD-SD 3.41Å; K166-M283 WeakPolarHBondContact CD-SD 3.2Å; K166-M283 WeakPolarHBondContact CE-O 3.42Å; K166-M283 HydrophobicContact CG-SD 3.66Å; K166-M283 PolarHBondContact NZ-O 2.92Å; L168-M283 HydrophobicContact CB-CE 3.32Å; L168-M283 HydrophobicContact CB-SD 4.06Å; L168-M283 HydrophobicContact CD1-CB 4.22Å; L168-M283 HydrophobicContact CD1-CE 4.35Å; L168-M283 HydrophobicContact CG-CE 4.47Å; L279-M283 PolarHBondContact O-N 3.5Å; V280-M283 PolarHBondContact O-N 2.75Å; V280-M283 VanDerWaalsContact O-N 3.17Å
284	E	98.1	Very high	98.5	Very high	115 Å²	115	28.1 Å²	28.1	54%	0.537	15%	0.148	S	C	.	.	H	α-helix	trans	-74.6	-29.4	-178.8	-69.2	-178.6	157.2	0	0	113.6	V280 A281 L282	V280-E284 HydrophobicContact CG1-CG 4.4Å; V280-E284 WeakPolarHBondContact O-CG 3.43Å; V280-E284 PolarHBondContact O-N 2.96Å; A281-E284 PolarHBondContact O-N 3.18Å; L282-E284 VanDerWaalsContact C-N 3.29Å; L282-E284 PolarHBondContact O-N 3.43Å
285	S	98.2	Very high	98.4	Very high	18 Å²	18	28.7 Å²	28.7	13%	0.126	15%	0.152	C	C	.	.	S	Bend	trans	-62.9	167.8	178.7	79.9	0	0	0	0	112.9	R224 A281 L282 Y287 L342	R224-S285 VanDerWaalsContact CZ-O 3.25Å; R224-S285 PolarHBondContact NE-O 3.41Å; R224-S285 VanDerWaalsContact NE-O 3.14Å; R224-S285 PolarHBondContact NH2-O 3.49Å; A281-S285 WeakPolarHBondContact O-CB 3.23Å; A281-S285 PolarHBondContact O-N 2.88Å; L282-S285 PolarHBondContact O-N 3.23Å; L282-S285 PolarHBondContact O-OG 3.47Å; S285-Y287 PolarHBondContact OG-N 3.12Å; S285-L342 VanDerWaalsContact CB-CD2 3.47Å; S285-L342 WeakPolarHBondContact OG-CD2 3.37Å
286	N	97.1	Very high	98.2	Very high	150 Å²	150	30.9 Å²	30.9	80%	0.802	17%	0.166	S	C	*	.	S	Bend	trans	-94.2	4.4	168.2	-71.7	-37.5	0	0	0	113.4
287	Y	98.3	Very high	98	Very high	48 Å²	48	34.2 Å²	34.2	19%	0.188	19%	0.186	C	C	.	.			trans	-81	125.4	-174.7	-168	-102.2	0	0	0	111.1	R224 S285 M289 V291 I337 Q341	R224-Y287 WeakPolarHBondContact CD-O 3.22Å; R224-Y287 PolarHBondContact NE-O 3.19Å; S285-Y287 PolarHBondContact OG-N 3.12Å; Y287-M289 HydrophobicContact CD1-CB 4.45Å; Y287-M289 WeakPolarHBondContact CD1-O 3.46Å; Y287-M289 HydrophobicContact CE1-CB 3.64Å; Y287-M289 VanDerWaalsContact CE1-O 3.27Å; Y287-M289 WeakPolarHBondContact CE1-O 3.28Å; Y287-M289 HydrophobicContact CE2-CB 4.44Å; Y287-V291 HydrophobicContact CD1-CG2 3.48Å; Y287-V291 VanDerWaalsContact CD1-CG2 3.48Å; Y287-V291 HydrophobicContact CE1-CG2 3.53Å; Y287-I337 HydrophobicContact CD1-CG2 4.35Å; Y287-I337 HydrophobicContact CE1-CG2 3.51Å; Y287-I337 HydrophobicContact CE2-CG2 4.41Å; Y287-I337 WeakPolarHBondContact OH-CG2 3.23Å; Y287-Q341 HydrophobicContact CD2-CB 4.02Å; Y287-Q341 HydrophobicContact CD2-CG 3.59Å; Y287-Q341 HydrophobicContact CE2-CG 3.67Å; Y287-Q341 HydrophobicContact CG-CB 4.01Å; Y287-Q341 HydrophobicContact CG-CG 4.06Å
288	T	97.8	Very high	97.7	Very high	38 Å²	38	33 Å²	33	23%	0.233	18%	0.178	C	C	.	.			trans	-107.5	-16.7	-171.7	52.9	0	0	0	0	114.4	Y213 F216	Y213-T288 WeakPolarHBondContact CE1-O 3.45Å; Y213-T288 PolarHBondContact OH-O 3.33Å; F216-T288 HydrophobicContact CE2-CG2 3.87Å; F216-T288 HydrophobicContact CZ-CG2 4.18Å
289	M	98.3	Very high	97.4	Very high	100 Å²	100	34.4 Å²	34.4	49%	0.493	18%	0.184	S	C	.	.	S	Bend	trans	-76	162.5	176.8	-61.4	-58.6	-67.2	0	0	110.5	Y213 Y287	Y213-M289 VanDerWaalsContact OH-C 3.28Å; Y213-M289 WeakPolarHBondContact OH-CA 3.4Å; Y287-M289 HydrophobicContact CD1-CB 4.45Å; Y287-M289 WeakPolarHBondContact CD1-O 3.46Å; Y287-M289 HydrophobicContact CE1-CB 3.64Å; Y287-M289 VanDerWaalsContact CE1-O 3.27Å; Y287-M289 WeakPolarHBondContact CE1-O 3.28Å; Y287-M289 HydrophobicContact CE2-CB 4.44Å
290	P	98.6	Very high	97	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.065	20%	0.195	C	C	.	.			trans	-60.6	149.5	-179.7	-21.3	34.2	0	0	0	111.3	Y213 V225	Y213-P290 HydrophobicContact CE2-CG 3.92Å; Y213-P290 WeakPolarHBondContact OH-CD 3.48Å; Y213-P290 VanDerWaalsContact OH-CG 3.32Å; Y213-P290 WeakPolarHBondContact OH-CG 3.35Å; Y213-P290 VanDerWaalsContact OH-N 3.08Å; V225-P290 HydrophobicContact CB-CB 4.36Å; V225-P290 HydrophobicContact CG1-CB 4.15Å; V225-P290 HydrophobicContact CG1-CG 4.45Å; V225-P290 WeakPolarHBondContact O-CA 3.13Å
291	V	98.8	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.2	174.8	-177.8	0	0	0	0	109.8	V225 R227 L282 Y287 L293 I337 A338 L342	V225-V291 PolarHBondContact O-N 3.34Å; R227-V291 PolarHBondContact N-O 3.08Å; L282-V291 HydrophobicContact CD1-CB 4.33Å; L282-V291 HydrophobicContact CD1-CG2 3.78Å; Y287-V291 HydrophobicContact CD1-CG2 3.48Å; Y287-V291 VanDerWaalsContact CD1-CG2 3.48Å; Y287-V291 HydrophobicContact CE1-CG2 3.53Å; V291-L293 HydrophobicContact CG1-CD2 4.09Å; V291-I337 HydrophobicContact CG2-CG2 3.99Å; V291-A338 HydrophobicContact CG1-CB 3.57Å; V291-L342 HydrophobicContact CG1-CD1 3.91Å
292	N	98.8	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.1	169.1	-71.8	-27.3	0	0	0	110	Y176 Q184 E186 F229 P333 D334	Y176-N292 PolarHBondContact OH-OD1 3.1Å; Q184-N292 PolarHBondContact O-ND2 2.96Å; E186-N292 HydrophobicContact CG-CB 4.32Å; E186-N292 WeakPolarHBondContact OE1-CB 3.4Å; E186-N292 PolarHBondContact OE1-N 2.95Å; F229-N292 HydrophobicContact CD2-CB 4.48Å; F229-N292 HydrophobicContact CE2-CB 3.94Å; F229-N292 WeakPolarHBondContact CE2-OD1 3.38Å; N292-P333 HydrophobicContact CB-CB 4.16Å; N292-D334 WeakPolarHBondContact CB-O 3.48Å; N292-D334 PolarHBondContact ND2-O 3.41Å
293	L	98.7	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102.5	172	-62.9	-177.5	0	0	0	109	A226 R227 F229 Q270 L275 L279 V291 A338 L342 W344	A226-L293 HydrophobicContact CB-CD1 3.91Å; R227-L293 PolarHBondContact O-N 3Å; F229-L293 PolarHBondContact N-O 2.98Å; Q270-L293 PolarHBondContact NE2-O 2.95Å; L275-L293 HydrophobicContact CD1-CB 4.02Å; L275-L293 HydrophobicContact CD1-CD1 4.06Å; L279-L293 HydrophobicContact CD2-CD1 3.92Å; L279-L293 HydrophobicContact CG-CD1 4.27Å; V291-L293 HydrophobicContact CG1-CD2 4.09Å; L293-A338 HydrophobicContact CD2-CB 4.37Å; L293-L342 HydrophobicContact CD2-CD1 4.29Å; L293-W344 HydrophobicContact CB-CH2 4.45Å; L293-W344 HydrophobicContact CD2-CD2 4.21Å; L293-W344 HydrophobicContact CD2-CE3 3.92Å; L293-W344 HydrophobicContact CD2-CH2 4.2Å; L293-W344 HydrophobicContact CD2-CZ2 4.46Å; L293-W344 HydrophobicContact CD2-CZ3 3.92Å
294	G	97.4	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-166	-179	179.8	0	0	0	0	0	112.9	Q270	Q270-G294 VanDerWaalsContact OE1-N 3.13Å
295	N	96.7	Very high	95.8	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	19%	0.188	C	C	.	.			trans	-96.8	124.8	175.4	-169.7	-18.3	0	0	0	110.4	S268 F269 Q270 V297 P333 P346	S268-N295 WeakPolarHBondContact CB-O 3.49Å; F269-N295 VanDerWaalsContact O-CB 3.28Å; F269-N295 WeakPolarHBondContact O-CB 3.41Å; F269-N295 PolarHBondContact O-ND2 3.14Å; F269-N295 VanDerWaalsContact O-ND2 3.09Å; Q270-N295 HydrophobicContact CB-CB 4.3Å; N295-V297 PolarHBondContact O-N 3.32Å; N295-V297 WeakPolarHBondContact OD1-CB 3.28Å; N295-V297 PolarHBondContact OD1-N 3.37Å; N295-P333 VanDerWaalsContact O-CD 3.27Å; N295-P333 WeakPolarHBondContact O-CD 3.44Å; N295-P333 WeakPolarHBondContact O-CG 3.35Å; N295-P346 HydrophobicContact CB-CG 4.23Å
296	P	95.7	Very high	95.6	Very high	46 Å²	46	38.8 Å²	38.8	30%	0.299	20%	0.204	S	C	.	.	S	Bend	trans	-75.9	-4.8	179.2	32.8	-37.4	0	0	0	112.7	Q332 I335	P296-Q332 WeakPolarHBondContact O-CG 3.36Å; P296-Q332 PolarHBondContact O-NE2 3.38Å; P296-I335 HydrophobicContact CB-CG1 4.32Å; P296-I335 HydrophobicContact CG-CD1 3.79Å; P296-I335 HydrophobicContact CG-CG1 4.1Å
297	V	94.4	Very high	95.5	Very high	75 Å²	75	33.5 Å²	33.5	46%	0.455	18%	0.175	S	C	.	.			trans	-85.5	120.9	176.3	-174.8	0	0	0	0	109.8	S268 N295 F299	S268-V297 WeakPolarHBondContact CA-O 3.24Å; N295-V297 PolarHBondContact O-N 3.32Å; N295-V297 WeakPolarHBondContact OD1-CB 3.28Å; N295-V297 PolarHBondContact OD1-N 3.37Å; V297-F299 HydrophobicContact CB-CE2 4.13Å; V297-F299 HydrophobicContact CG1-CD2 4.37Å; V297-F299 HydrophobicContact CG1-CE1 4.43Å; V297-F299 HydrophobicContact CG1-CE2 3.58Å; V297-F299 HydrophobicContact CG1-CZ 3.62Å
298	E	92.2	Very high	95.3	Very high	45 Å²	45	31.2 Å²	31.2	21%	0.21	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	148.8	174.3	-72.9	-157.9	132.6	0	0	112.1	H182 T266 R331 Q332	H182-E298 IonicContact CE1-OE1 2.95Å; H182-E298 PolarHBondContact CE1-OE1 3.37Å; H182-E298 IonicContact CE1-OE2 3.2Å; H182-E298 IonicContact NE2-OE2 2.82Å; T266-E298 VanDerWaalsContact CB-OE2 3.3Å; T266-E298 WeakPolarHBondContact CB-OE2 3.21Å; T266-E298 PolarHBondContact OG1-OE1 3.07Å; T266-E298 VanDerWaalsContact OG1-OE1 3.14Å; T266-E298 PolarHBondContact OG1-OE2 2.82Å; E298-R331 VanDerWaalsContact OE1-C 3.24Å; E298-R331 PolarHBondContact OE1-N 3.42Å; E298-Q332 HydrophobicContact CG-CB 3.76Å; E298-Q332 HydrophobicContact CG-CG 3.86Å
299	F	91.7	Very high	95.2	Very high	29 Å²	29	32 Å²	32	13%	0.127	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.3	171.8	-60.1	-92.5	0	0	0	108.4	T266 R267 F269 V297 M307 L350	T266-F299 CarbonylContact C-O 3.57Å; T266-F299 WeakPolarHBondContact CA-O 3.33Å; R267-F299 PolarHBondContact N-O 2.76Å; R267-F299 PolarHBondContact O-N 3.07Å; F269-F299 HydrophobicContact CD2-CD2 4.25Å; F269-F299 HydrophobicContact CE2-CB 4.41Å; V297-F299 HydrophobicContact CB-CE2 4.13Å; V297-F299 HydrophobicContact CG1-CD2 4.37Å; V297-F299 HydrophobicContact CG1-CE1 4.43Å; V297-F299 HydrophobicContact CG1-CE2 3.58Å; V297-F299 HydrophobicContact CG1-CZ 3.62Å; F299-M307 HydrophobicContact CD1-CE 4.05Å; F299-M307 HydrophobicContact CE1-CE 4.08Å; F299-L350 HydrophobicContact CB-CD2 4.45Å; F299-L350 HydrophobicContact CD1-CD2 3.81Å; F299-L350 HydrophobicContact CD2-CD2 3.67Å; F299-L350 HydrophobicContact CE1-CD2 3.88Å; F299-L350 HydrophobicContact CE2-CB 4.08Å; F299-L350 HydrophobicContact CE2-CD2 3.75Å; F299-L350 HydrophobicContact CG-CD2 3.7Å; F299-L350 HydrophobicContact CZ-CB 3.95Å; F299-L350 HydrophobicContact CZ-CD2 3.85Å
300	T	91.3	Very high	95	Very high	35 Å²	35	32.9 Å²	32.9	22%	0.215	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	154.7	167.9	63.2	0	0	0	0	110.3	Q265 T266 N302 E303 L304	Q265-T300 WeakPolarHBondContact O-CA 3.26Å; T266-T300 HydrophobicContact CG2-CG2 4.06Å; T300-N302 PolarHBondContact O-N 3.28Å; T300-E303 WeakPolarHBondContact CB-OE2 3.39Å; T300-E303 PolarHBondContact N-OE2 3.03Å; T300-E303 PolarHBondContact O-N 3.02Å; T300-E303 WeakPolarHBondContact OG1-CB 3.48Å; T300-E303 VanDerWaalsContact OG1-CD 3.24Å; T300-E303 WeakPolarHBondContact OG1-CG 3.32Å; T300-E303 PolarHBondContact OG1-N 3.41Å; T300-E303 VanDerWaalsContact OG1-N 3.07Å; T300-E303 PolarHBondContact OG1-OE2 2.96Å; T300-L304 PolarHBondContact O-N 3.22Å; T300-L304 VanDerWaalsContact O-N 3.14Å
301	V	90.8	Very high	94.8	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-32.9	174.6	171.9	0	0	0	0	111.2	V243 F247 V259 G263 Q265 L304 A305	V243-V301 HydrophobicContact CG2-CG1 4.02Å; F247-V301 HydrophobicContact CE2-CG1 3.92Å; F247-V301 HydrophobicContact CZ-CG1 3.6Å; V259-V301 HydrophobicContact CG1-CG1 3.94Å; V259-V301 HydrophobicContact CG2-CG1 4.26Å; G263-V301 PolarHBondContact O-N 3.18Å; Q265-V301 HydrophobicContact CG-CB 4.49Å; Q265-V301 HydrophobicContact CG-CG2 3.69Å; Q265-V301 PolarHBondContact O-N 2.97Å; Q265-V301 VanDerWaalsContact O-N 3.13Å; V301-L304 PolarHBondContact O-N 2.93Å; V301-A305 PolarHBondContact O-N 2.8Å
302	N	93	Very high	94.5	Very high	37 Å²	37	36.9 Å²	36.9	20%	0.198	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-44.9	173.9	-74.9	-26.7	0	0	0	112.9	L262 G263 T300 L304 A305 I306	L262-N302 PolarHBondContact O-ND2 3.09Å; G263-N302 PolarHBondContact O-N 3.05Å; G263-N302 VanDerWaalsContact O-N 3.12Å; G263-N302 PolarHBondContact O-ND2 3.18Å; T300-N302 PolarHBondContact O-N 3.28Å; N302-L304 VanDerWaalsContact C-N 3.29Å; N302-L304 PolarHBondContact O-N 3.3Å; N302-A305 PolarHBondContact O-N 3.48Å; N302-I306 WeakPolarHBondContact O-CG1 3.41Å; N302-I306 PolarHBondContact O-N 2.91Å
303	E	94.6	Very high	94.2	Very high	91 Å²	91	43.9 Å²	43.9	43%	0.425	23%	0.228	S	C	.	.	H	α-helix	trans	-59.2	-43.1	175	-76.1	163.9	141.5	0	0	111.1	T300 I306 M307	T300-E303 WeakPolarHBondContact CB-OE2 3.39Å; T300-E303 PolarHBondContact N-OE2 3.03Å; T300-E303 PolarHBondContact O-N 3.02Å; T300-E303 WeakPolarHBondContact OG1-CB 3.48Å; T300-E303 VanDerWaalsContact OG1-CD 3.24Å; T300-E303 WeakPolarHBondContact OG1-CG 3.32Å; T300-E303 PolarHBondContact OG1-N 3.41Å; T300-E303 VanDerWaalsContact OG1-N 3.07Å; T300-E303 PolarHBondContact OG1-OE2 2.96Å; E303-I306 PolarHBondContact O-N 3.38Å; E303-M307 WeakPolarHBondContact O-CB 3.48Å; E303-M307 VanDerWaalsContact O-CG 3.29Å; E303-M307 WeakPolarHBondContact O-CG 3.47Å; E303-M307 PolarHBondContact O-N 3.09Å
304	L	94.2	Very high	94	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-44.9	175.9	179.3	67.7	0	0	0	112	V243 V244 F247 F269 T300 V301 N302 I306 M307 V308 L350 L354	V243-L304 HydrophobicContact CB-CD2 4.42Å; V243-L304 HydrophobicContact CG1-CD2 3.8Å; V243-L304 HydrophobicContact CG2-CD2 3.88Å; V244-L304 HydrophobicContact CG2-CD1 4.4Å; V244-L304 HydrophobicContact CG2-CD2 3.87Å; F247-L304 HydrophobicContact CD2-CD2 4.02Å; F247-L304 HydrophobicContact CD2-CG 3.98Å; F247-L304 HydrophobicContact CE2-CB 4.44Å; F247-L304 HydrophobicContact CE2-CD2 4.13Å; F247-L304 HydrophobicContact CE2-CG 4.23Å; F269-L304 HydrophobicContact CE1-CD2 4.16Å; F269-L304 HydrophobicContact CE2-CD2 3.91Å; F269-L304 HydrophobicContact CZ-CD2 3.56Å; T300-L304 PolarHBondContact O-N 3.22Å; T300-L304 VanDerWaalsContact O-N 3.14Å; V301-L304 PolarHBondContact O-N 2.93Å; N302-L304 VanDerWaalsContact C-N 3.29Å; N302-L304 PolarHBondContact O-N 3.3Å; L304-I306 PolarHBondContact O-N 3.42Å; L304-M307 PolarHBondContact O-N 3.04Å; L304-V308 HydrophobicContact CD1-CG2 4.24Å; L304-V308 HydrophobicContact CG-CG2 4.48Å; L304-V308 WeakPolarHBondContact O-CG2 3.2Å; L304-V308 PolarHBondContact O-N 3.39Å; L304-L350 HydrophobicContact CD1-CD1 4.42Å; L304-L350 HydrophobicContact CD1-CD2 4.36Å; L304-L354 HydrophobicContact CD1-CD1 4.11Å; L304-L354 HydrophobicContact CD1-CD2 4.33Å
305	A	94.2	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-45.7	178.9	0	0	0	0	0	111.8	F247 I257 V259 V301 N302 V308 K309 I318	F247-A305 HydrophobicContact CD2-CB 4.03Å; F247-A305 HydrophobicContact CE2-CB 3.65Å; F247-A305 HydrophobicContact CZ-CB 4.29Å; I257-A305 HydrophobicContact CG2-CB 4.07Å; V259-A305 HydrophobicContact CG2-CB 4.25Å; V301-A305 PolarHBondContact O-N 2.8Å; N302-A305 PolarHBondContact O-N 3.48Å; A305-V308 PolarHBondContact O-N 3.42Å; A305-K309 WeakPolarHBondContact O-CB 3.17Å; A305-K309 PolarHBondContact O-N 3.18Å; A305-I318 HydrophobicContact CB-CD1 3.94Å
306	I	94.5	Very high	93.5	Very high	89 Å²	89	52.9 Å²	52.9	46%	0.456	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-44.2	177.1	-66.1	166.3	0	0	0	110.8	N302 E303 L304 K309 N310 I318	N302-I306 WeakPolarHBondContact O-CG1 3.41Å; N302-I306 PolarHBondContact O-N 2.91Å; E303-I306 PolarHBondContact O-N 3.38Å; L304-I306 PolarHBondContact O-N 3.42Å; I306-K309 PolarHBondContact O-N 3.46Å; I306-N310 VanDerWaalsContact O-CG 3.26Å; I306-N310 PolarHBondContact O-N 2.69Å; I306-N310 PolarHBondContact O-ND2 2.94Å; I306-I318 HydrophobicContact CG1-CD1 4.31Å
307	M	94.8	Very high	93.4	Very high	38 Å²	38	56 Å²	56	19%	0.187	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-51	176.1	-73.7	-175	-163.5	0	0	111	F299 E303 L304 K309 N310 F311 L350 L354	F299-M307 HydrophobicContact CD1-CE 4.05Å; F299-M307 HydrophobicContact CE1-CE 4.08Å; E303-M307 WeakPolarHBondContact O-CB 3.48Å; E303-M307 VanDerWaalsContact O-CG 3.29Å; E303-M307 WeakPolarHBondContact O-CG 3.47Å; E303-M307 PolarHBondContact O-N 3.09Å; L304-M307 PolarHBondContact O-N 3.04Å; M307-K309 VanDerWaalsContact C-N 3.31Å; M307-K309 PolarHBondContact O-N 3.35Å; M307-N310 PolarHBondContact O-N 2.94Å; M307-N310 VanDerWaalsContact O-N 3.17Å; M307-F311 VanDerWaalsContact O-CD2 3.25Å; M307-F311 WeakPolarHBondContact O-CD2 3.47Å; M307-F311 PolarHBondContact O-N 3.41Å; M307-L350 HydrophobicContact SD-CD2 3.8Å; M307-L350 HydrophobicContact SD-CG 4.29Å; M307-L354 HydrophobicContact CB-CD1 4.08Å
308	V	94.9	Very high	93.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-44.1	179.8	172.5	0	0	0	0	111.2	F247 I248 A251 L304 A305 N310 F311 T312 L354	F247-V308 HydrophobicContact CB-CB 4.24Å; F247-V308 HydrophobicContact CB-CG1 4.03Å; F247-V308 HydrophobicContact CB-CG2 4.12Å; I248-V308 HydrophobicContact CB-CG1 4.5Å; I248-V308 HydrophobicContact CG1-CG1 3.92Å; I248-V308 HydrophobicContact CG1-CG2 4.18Å; A251-V308 HydrophobicContact CB-CG1 4Å; L304-V308 HydrophobicContact CD1-CG2 4.24Å; L304-V308 HydrophobicContact CG-CG2 4.48Å; L304-V308 WeakPolarHBondContact O-CG2 3.2Å; L304-V308 PolarHBondContact O-N 3.39Å; A305-V308 PolarHBondContact O-N 3.42Å; V308-N310 VanDerWaalsContact C-N 3.32Å; V308-N310 PolarHBondContact O-N 2.71Å; V308-F311 PolarHBondContact O-N 3.23Å; V308-T312 HydrophobicContact CG1-CG2 4.11Å; V308-T312 WeakPolarHBondContact O-CB 3.28Å; V308-T312 WeakPolarHBondContact O-CG2 3.29Å; V308-T312 PolarHBondContact O-N 3.2Å; V308-T312 PolarHBondContact O-OG1 3.07Å; V308-L354 HydrophobicContact CG2-CD1 4.48Å; V308-L354 HydrophobicContact CG2-CD2 4.13Å
309	K	94.5	Very high	93.5	Very high	56 Å²	56	55.8 Å²	55.8	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-45.4	176.6	-172.5	172.1	176.4	161.6	0	111.9	I257 A305 I306 M307 T312 D313 S314 S316	I257-K309 HydrophobicContact CD1-CB 4.14Å; A305-K309 WeakPolarHBondContact O-CB 3.17Å; A305-K309 PolarHBondContact O-N 3.18Å; I306-K309 PolarHBondContact O-N 3.46Å; M307-K309 VanDerWaalsContact C-N 3.31Å; M307-K309 PolarHBondContact O-N 3.35Å; K309-T312 PolarHBondContact O-OG1 3.38Å; K309-D313 PolarHBondContact O-N 2.86Å; K309-D313 VanDerWaalsContact O-N 3.17Å; K309-S314 WeakPolarHBondContact CE-O 3.4Å; K309-S314 WeakPolarHBondContact CG-O 3.37Å; K309-S314 PolarHBondContact O-N 3.41Å; K309-S316 VanDerWaalsContact CE-O 3.31Å; K309-S316 WeakPolarHBondContact CE-O 3.38Å; K309-S316 PolarHBondContact NZ-O 3.48Å
310	N	94.5	Very high	93.6	Very high	117 Å²	117	60.7 Å²	60.7	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-67.3	-44.9	178.6	-68.1	-18.6	0	0	0	112.7	I306 M307 V308 T312 D313	I306-N310 VanDerWaalsContact O-CG 3.26Å; I306-N310 PolarHBondContact O-N 2.69Å; I306-N310 PolarHBondContact O-ND2 2.94Å; M307-N310 PolarHBondContact O-N 2.94Å; M307-N310 VanDerWaalsContact O-N 3.17Å; V308-N310 VanDerWaalsContact C-N 3.32Å; V308-N310 PolarHBondContact O-N 2.71Å; N310-T312 VanDerWaalsContact C-N 3.29Å; N310-T312 PolarHBondContact O-N 2.86Å; N310-D313 PolarHBondContact O-N 2.94Å
311	F	94.4	Very high	93.5	Very high	82 Å²	82	63 Å²	63	36%	0.36	31%	0.306	S	S	.	.	H	α-helix	trans	-72.9	-21.8	-178.1	-84.1	-101.7	0	0	0	113.4	M307 V308 Q351 I358	M307-F311 VanDerWaalsContact O-CD2 3.25Å; M307-F311 WeakPolarHBondContact O-CD2 3.47Å; M307-F311 PolarHBondContact O-N 3.41Å; V308-F311 PolarHBondContact O-N 3.23Å; F311-Q351 HydrophobicContact CE2-CG 4.4Å; F311-Q351 HydrophobicContact CZ-CB 3.79Å; F311-Q351 HydrophobicContact CZ-CG 4.09Å; F311-I358 HydrophobicContact CB-CD1 3.4Å; F311-I358 VanDerWaalsContact CB-CD1 3.4Å; F311-I358 HydrophobicContact CG-CD1 4.39Å
312	T	93.7	Very high	93.2	Very high	13 Å²	13	68.2 Å²	68.2	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-90.7	-11.4	175.3	53	0	0	0	0	113	A251 L252 V308 K309 N310 S314 I358	A251-T312 HydrophobicContact CB-CG2 4.1Å; A251-T312 WeakPolarHBondContact CB-OG1 3.44Å; L252-T312 HydrophobicContact CD2-CG2 3.81Å; L252-T312 HydrophobicContact CG-CG2 4.05Å; V308-T312 HydrophobicContact CG1-CG2 4.11Å; V308-T312 WeakPolarHBondContact O-CB 3.28Å; V308-T312 WeakPolarHBondContact O-CG2 3.29Å; V308-T312 PolarHBondContact O-N 3.2Å; V308-T312 PolarHBondContact O-OG1 3.07Å; K309-T312 PolarHBondContact O-OG1 3.38Å; N310-T312 VanDerWaalsContact C-N 3.29Å; N310-T312 PolarHBondContact O-N 2.86Å; T312-S314 PolarHBondContact O-N 3.45Å; T312-S314 VanDerWaalsContact OG1-CB 3.26Å; T312-S314 WeakPolarHBondContact OG1-CB 3.15Å; T312-I358 HydrophobicContact CG2-CD1 3.84Å; T312-I358 HydrophobicContact CG2-CG1 4.07Å; T312-I358 HydrophobicContact CG2-CG2 3.99Å
313	D	92.9	Very high	92.4	Very high	147 Å²	147	71 Å²	71	79%	0.786	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.4	-166.5	-165	31.9	0	0	0	112.3	K309 N310	K309-D313 PolarHBondContact O-N 2.86Å; K309-D313 VanDerWaalsContact O-N 3.17Å; N310-D313 PolarHBondContact O-N 2.94Å
314	S	92.6	Very high	91.6	Very high	11 Å²	11	69.8 Å²	69.8	8%	0.077	36%	0.355	C	S	.	.			trans	-84.3	142.2	-175.8	-178.4	0	0	0	0	111.9	A251 K309 T312 S316	A251-S314 WeakPolarHBondContact O-CB 3.44Å; A251-S314 PolarHBondContact O-OG 2.75Å; K309-S314 WeakPolarHBondContact CE-O 3.4Å; K309-S314 WeakPolarHBondContact CG-O 3.37Å; K309-S314 PolarHBondContact O-N 3.41Å; T312-S314 PolarHBondContact O-N 3.45Å; T312-S314 VanDerWaalsContact OG1-CB 3.26Å; T312-S314 WeakPolarHBondContact OG1-CB 3.15Å; S314-S316 WeakPolarHBondContact OG-CB 3.46Å; S314-S316 PolarHBondContact OG-N 2.82Å; S314-S316 VanDerWaalsContact OG-N 3.17Å; S314-S316 PolarHBondContact OG-OG 3.49Å
315	K	91.5	Very high	90.7	Very high	185 Å²	185	76.2 Å²	76.2	80%	0.804	39%	0.388	S	S	*	.			trans	-91.6	-2.8	172.4	-65.5	-178.1	-177.7	176.3	0	113.2	D317	K315-D317 PolarHBondContact O-N 2.86Å
316	S	93	Very high	89.6	Confident	8 Å²	8	79.8 Å²	79.8	6%	0.056	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-49.4	134.2	-176.5	-69.1	0	0	0	0	113.3	E255 K309 S314	E255-S316 WeakPolarHBondContact O-CB 3.24Å; E255-S316 PolarHBondContact O-OG 2.88Å; K309-S316 VanDerWaalsContact CE-O 3.31Å; K309-S316 WeakPolarHBondContact CE-O 3.38Å; K309-S316 PolarHBondContact NZ-O 3.48Å; S314-S316 WeakPolarHBondContact OG-CB 3.46Å; S314-S316 PolarHBondContact OG-N 2.82Å; S314-S316 VanDerWaalsContact OG-N 3.17Å; S314-S316 PolarHBondContact OG-OG 3.49Å
317	D	94.3	Very high	88.8	Confident	112 Å²	112	78 Å²	78	60%	0.599	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-68.3	149.1	171.5	-65.6	-43.3	0	0	0	110.8	S256 I257 K315	S256-D317 CarbonylContact C-O 3.57Å; S256-D317 VanDerWaalsContact CA-O 3.28Å; S256-D317 WeakPolarHBondContact CA-O 3.28Å; I257-D317 PolarHBondContact N-O 3.13Å; K315-D317 PolarHBondContact O-N 2.86Å
318	I	94	Very high	87.9	Confident	48 Å²	48	76.2 Å²	76.2	25%	0.246	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.6	170.4	-60.8	173.1	0	0	0	107	I257 V259 A305 I306 Y320	I257-I318 HydrophobicContact CB-CG1 4.28Å; I257-I318 WeakPolarHBondContact O-CA 3.17Å; V259-I318 HydrophobicContact CB-CG2 4.41Å; V259-I318 HydrophobicContact CG2-CG2 3.63Å; A305-I318 HydrophobicContact CB-CD1 3.94Å; I306-I318 HydrophobicContact CG1-CD1 4.31Å; I318-Y320 HydrophobicContact CG2-CE2 4.5Å
319	I	94.1	Very high	87.2	Confident	66 Å²	66	82.5 Å²	82.5	34%	0.338	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153	179	64.2	170.3	0	0	0	110.3	I257 T258 V259	I257-I319 PolarHBondContact O-N 3.4Å; T258-I319 HydrophobicContact CG2-CG1 4.49Å; V259-I319 PolarHBondContact N-O 2.84Å
320	Y	92.8	Very high	86.7	Confident	133 Å²	133	86 Å²	86	52%	0.522	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.3	-176.3	-59.5	-86.5	0	0	0	111.7	V259 G261 I318	V259-Y320 HydrophobicContact CB-CD1 3.81Å; V259-Y320 HydrophobicContact CB-CE1 3.99Å; V259-Y320 HydrophobicContact CG1-CD1 3.74Å; V259-Y320 HydrophobicContact CG1-CE1 3.81Å; V259-Y320 CarbonylContact O-C 3.58Å; V259-Y320 VanDerWaalsContact O-CA 3.22Å; V259-Y320 WeakPolarHBondContact O-CA 3.38Å; G261-Y320 VanDerWaalsContact O-CD1 3.29Å; G261-Y320 WeakPolarHBondContact O-CD1 3.48Å; I318-Y320 HydrophobicContact CG2-CE2 4.5Å
321	Q	89.6	Confident	86.4	Confident	82 Å²	82	80.9 Å²	80.9	38%	0.383	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.3	177.3	-72.3	-171.5	4.9	0	0	111.5	T258 V259 Y260 G261	T258-Q321 HydrophobicContact CG2-CB 4.2Å; T258-Q321 HydrophobicContact CG2-CG 3.7Å; V259-Q321 PolarHBondContact O-N 3.49Å; Y260-Q321 CarbonylContact C-O 3.46Å; Y260-Q321 WeakPolarHBondContact CA-O 3.26Å; Y260-Q321 HydrophobicContact CD1-CB 3.65Å; Y260-Q321 HydrophobicContact CE1-CB 3.83Å; G261-Q321 PolarHBondContact N-O 3.43Å
322	P	84.5	Confident	86.4	Confident	117 Å²	117	79.1 Å²	79.1	76%	0.76	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-60.7	144.8	178.7	-23.7	34.6	0	0	0	113.7	Y260	Y260-P322 VanDerWaalsContact CD1-O 3.28Å; Y260-P322 WeakPolarHBondContact CD1-O 3.29Å
323	L	77.1	Confident	86.5	Confident	97 Å²	97	78.6 Å²	78.6	51%	0.508	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-61.8	136.8	177.9	-77.3	168.5	0	0	0	111.9	Y260	Y260-L323 WeakPolarHBondContact O-CD2 3.49Å
324	P	77.8	Confident	86.7	Confident	65 Å²	65	74.7 Å²	74.7	42%	0.422	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-60.5	149.5	168.6	-21.6	32.3	0	0	0	112.2	Y260 D327	Y260-P324 HydrophobicContact CG-CG 4.42Å; P324-D327 HydrophobicContact CB-CB 4.44Å
325	I	74.4	Confident	87	Confident	135 Å²	135	74.7 Å²	74.7	69%	0.692	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	137.3	176.1	-59.6	171.5	0	0	0	109.6	D327	I325-D327 PolarHBondContact O-N 2.9Å
326	D	72.6	Confident	87.3	Confident	74 Å²	74	67.6 Å²	67.6	40%	0.396	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	24.3	177.8	-59.4	-12.4	0	0	0	114.7	R198 P328	R198-D326 WeakPolarHBondContact CD-O 3.47Å; D326-P328 WeakPolarHBondContact O-CD 3.27Å
327	D	77.1	Confident	87.6	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.273	36%	0.358	S	S	.	.			trans	-78.5	124.4	169.1	-160.1	57.4	0	0	0	110.6	R198 R267 P324 I325	R198-D327 IonicContact CZ-OD1 3.46Å; R198-D327 IonicContact NH1-OD1 2.63Å; R198-D327 PolarHBondContact NH1-OD1 3.4Å; R198-D327 IonicContact NH2-OD1 3.92Å; R267-D327 IonicContact CZ-OD2 3.66Å; R267-D327 IonicContact NH2-OD2 3.72Å; R267-D327 PolarHBondContact NH2-OD2 2.76Å; P324-D327 HydrophobicContact CB-CB 4.44Å; I325-D327 PolarHBondContact O-N 2.9Å
328	P	76	Confident	87.8	Confident	2 Å²	2	64 Å²	64	1%	0.013	33%	0.329	C	S	.	.			trans	-63.6	142.4	-173.4	-33.3	45.1	0	0	0	113	G177 R267 D326	G177-P328 WeakPolarHBondContact O-CG 3.3Å; R267-P328 PolarHBondContact NH1-O 2.93Å; R267-P328 VanDerWaalsContact NH1-O 3.09Å; R267-P328 PolarHBondContact NH2-O 3.25Å; D326-P328 WeakPolarHBondContact O-CD 3.27Å
329	Q	79.4	Confident	88	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	34%	0.339	S	S	*	.	S	Bend	trans	-77	-34.2	-174.1	-63.8	-172	7.7	0	0	113.1	D178 Q265 R267	D178-Q329 PolarHBondContact OD1-N 3.26Å; Q265-Q329 WeakPolarHBondContact CB-O 3.4Å; R267-Q329 PolarHBondContact NH1-O 2.93Å
330	R	84.7	Confident	88.2	Confident	130 Å²	130	70.7 Å²	70.7	49%	0.491	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.1	-177.3	-64.9	-177.6	-71.3	-177.7	-1.6	110.9
331	R	87.6	Confident	88.5	Confident	8 Å²	8	68.3 Å²	68.3	3%	0.03	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	105	-179.2	-170.7	172.3	-74.8	163.2	-12.1	110.6	S173 E174 F229 S268 E298	S173-R331 WeakPolarHBondContact OG-CD 3.45Å; E174-R331 IonicContact OE1-CZ 3.8Å; E174-R331 VanDerWaalsContact OE1-CZ 3.29Å; E174-R331 IonicContact OE1-NH1 2.86Å; E174-R331 PolarHBondContact OE1-NH1 3.49Å; E174-R331 IonicContact OE1-NH2 3.83Å; E174-R331 PolarHBondContact OE1-NH2 3.38Å; E174-R331 IonicContact OE2-CZ 3.99Å; E174-R331 IonicContact OE2-NH1 2.76Å; E174-R331 IonicContact OE2-NH2 3.97Å; E174-R331 PolarHBondContact OE2-NH2 3.28Å; F229-R331 HydrophobicContact CD1-CG 3.75Å; F229-R331 HydrophobicContact CE1-CG 3.74Å; S268-R331 PolarHBondContact N-O 3.13Å; S268-R331 VanDerWaalsContact N-O 3.16Å; S268-R331 PolarHBondContact OG-O 3.22Å; E298-R331 VanDerWaalsContact OE1-C 3.24Å; E298-R331 PolarHBondContact OE1-N 3.42Å
332	Q	94	Very high	88.9	Confident	46 Å²	46	65.2 Å²	65.2	22%	0.215	34%	0.337	C	S	.	.			trans	-137.7	120.3	179.6	-171.6	-175.8	20	0	0	109.4	H182 P183 Q184 P296 E298	H182-Q332 WeakPolarHBondContact CE1-CB 3.29Å; H182-Q332 PolarHBondContact CE1-OE1 2.95Å; H182-Q332 PolarHBondContact NE2-OE1 2.77Å; P183-Q332 HydrophobicContact CB-CB 4.27Å; P183-Q332 HydrophobicContact CB-CG 4.17Å; Q184-Q332 PolarHBondContact N-O 3.29Å; Q184-Q332 PolarHBondContact OE1-O 3.03Å; P296-Q332 WeakPolarHBondContact O-CG 3.36Å; P296-Q332 PolarHBondContact O-NE2 3.38Å; E298-Q332 HydrophobicContact CG-CB 3.76Å; E298-Q332 HydrophobicContact CG-CG 3.86Å
333	P	96.5	Very high	89.5	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.013	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-72.3	135.3	175.5	30.3	-33.3	0	0	0	110.8	F229 N292 N295 I335	F229-P333 HydrophobicContact CD1-CB 3.82Å; F229-P333 HydrophobicContact CD1-CG 3.97Å; F229-P333 HydrophobicContact CD2-CB 3.81Å; F229-P333 HydrophobicContact CD2-CG 4.47Å; F229-P333 HydrophobicContact CE1-CB 3.68Å; F229-P333 HydrophobicContact CE1-CG 4.23Å; F229-P333 HydrophobicContact CE2-CB 3.68Å; F229-P333 HydrophobicContact CG-CB 3.9Å; F229-P333 HydrophobicContact CG-CG 4.11Å; F229-P333 HydrophobicContact CZ-CB 3.61Å; N292-P333 HydrophobicContact CB-CB 4.16Å; N295-P333 VanDerWaalsContact O-CD 3.27Å; N295-P333 WeakPolarHBondContact O-CD 3.44Å; N295-P333 WeakPolarHBondContact O-CG 3.35Å; P333-I335 HydrophobicContact CB-CG2 3.77Å; P333-I335 HydrophobicContact CG-CG2 3.91Å
334	D	97.9	Very high	90.5	Very high	65 Å²	65	63.2 Å²	63.2	35%	0.348	32%	0.32	S	S	.	.			trans	-76.4	122.6	150.5	-175.2	-13.1	0	0	0	107.5	P183 Q184 P185 N292 G336	P183-D334 HydrophobicContact CB-CB 4.42Å; P183-D334 HydrophobicContact CG-CB 4.4Å; Q184-D334 PolarHBondContact O-N 2.97Å; Q184-D334 VanDerWaalsContact O-N 3.1Å; P185-D334 HydrophobicContact CB-CB 4.35Å; N292-D334 WeakPolarHBondContact CB-O 3.48Å; N292-D334 PolarHBondContact ND2-O 3.41Å; D334-G336 PolarHBondContact OD1-N 2.96Å
335	I	98.1	Very high	91.5	Very high	11 Å²	11	66.6 Å²	66.6	6%	0.056	33%	0.328	C	S	.	.			trans	-112.1	14.2	-177.6	63.3	157.9	0	0	0	112.8	P296 P333 I337 A338 I339	P296-I335 HydrophobicContact CB-CG1 4.32Å; P296-I335 HydrophobicContact CG-CD1 3.79Å; P296-I335 HydrophobicContact CG-CG1 4.1Å; P333-I335 HydrophobicContact CB-CG2 3.77Å; P333-I335 HydrophobicContact CG-CG2 3.91Å; I335-I337 PolarHBondContact O-N 3.36Å; I335-A338 HydrophobicContact CB-CB 4.4Å; I335-A338 PolarHBondContact O-N 3.42Å; I335-I339 HydrophobicContact CD1-CD1 3.8Å; I335-I339 HydrophobicContact CD1-CG1 4.07Å; I335-I339 HydrophobicContact CG1-CD1 3.93Å; I335-I339 HydrophobicContact CG1-CG1 4.36Å; I335-I339 WeakPolarHBondContact O-CG1 3.28Å; I335-I339 PolarHBondContact O-N 3.39Å
336	G	98.3	Very high	92.6	Very high	36 Å²	36	61.2 Å²	61.2	37%	0.371	30%	0.301	S	S	.	.	H	α-helix	trans	-55.7	-37	-179.1	0	0	0	0	0	113	D334 K340	D334-G336 PolarHBondContact OD1-N 2.96Å; G336-K340 VanDerWaalsContact O-CB 3.3Å; G336-K340 WeakPolarHBondContact O-CB 3.33Å; G336-K340 PolarHBondContact O-N 3.17Å
337	I	98.4	Very high	93.8	Very high	44 Å²	44	62.6 Å²	62.6	23%	0.226	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-45.7	175.5	-60.8	-172	0	0	0	111.1	E186 Y287 V291 I335 I339 K340 Q341	E186-I337 HydrophobicContact CB-CD1 4.15Å; E186-I337 HydrophobicContact CG-CD1 4.23Å; E186-I337 WeakPolarHBondContact OE2-CD1 3.22Å; Y287-I337 HydrophobicContact CD1-CG2 4.35Å; Y287-I337 HydrophobicContact CE1-CG2 3.51Å; Y287-I337 HydrophobicContact CE2-CG2 4.41Å; Y287-I337 WeakPolarHBondContact OH-CG2 3.23Å; V291-I337 HydrophobicContact CG2-CG2 3.99Å; I335-I337 PolarHBondContact O-N 3.36Å; I337-I339 VanDerWaalsContact C-N 3.34Å; I337-I339 PolarHBondContact O-N 2.65Å; I337-K340 PolarHBondContact O-N 3.34Å; I337-Q341 HydrophobicContact CG2-CB 4.46Å; I337-Q341 HydrophobicContact CG2-CG 3.92Å; I337-Q341 VanDerWaalsContact O-CB 3.29Å; I337-Q341 WeakPolarHBondContact O-CB 3.12Å; I337-Q341 WeakPolarHBondContact O-CG 3.27Å; I337-Q341 PolarHBondContact O-N 3.06Å
338	A	98.6	Very high	94.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-42.2	-179.7	0	0	0	0	0	111.7	V291 L293 I335 L342 N343 W344	V291-A338 HydrophobicContact CG1-CB 3.57Å; L293-A338 HydrophobicContact CD2-CB 4.37Å; I335-A338 HydrophobicContact CB-CB 4.4Å; I335-A338 PolarHBondContact O-N 3.42Å; A338-L342 WeakPolarHBondContact O-CA 3.29Å; A338-L342 VanDerWaalsContact O-CB 3.24Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 PolarHBondContact O-N 2.92Å; A338-N343 PolarHBondContact O-N 3.47Å; A338-W344 CarbonylContact C-O 3.5Å; A338-W344 HydrophobicContact CB-CE3 3.64Å; A338-W344 HydrophobicContact CB-CZ3 4.04Å; A338-W344 PolarHBondContact O-N 3.2Å
339	I	98.4	Very high	95.8	Very high	86 Å²	86	64 Å²	64	44%	0.441	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-50.4	174.9	-65.9	169.1	0	0	0	110.4	I335 I337 N343 W344 K345	I335-I339 HydrophobicContact CD1-CD1 3.8Å; I335-I339 HydrophobicContact CD1-CG1 4.07Å; I335-I339 HydrophobicContact CG1-CD1 3.93Å; I335-I339 HydrophobicContact CG1-CG1 4.36Å; I335-I339 WeakPolarHBondContact O-CG1 3.28Å; I335-I339 PolarHBondContact O-N 3.39Å; I337-I339 VanDerWaalsContact C-N 3.34Å; I337-I339 PolarHBondContact O-N 2.65Å; I339-N343 VanDerWaalsContact O-CA 3.32Å; I339-N343 WeakPolarHBondContact O-CA 3.24Å; I339-N343 PolarHBondContact O-N 2.83Å; I339-W344 WeakPolarHBondContact CA-O 3.16Å; I339-W344 WeakPolarHBondContact CG1-O 3.28Å; I339-W344 PolarHBondContact N-O 3.44Å; I339-K345 HydrophobicContact CG1-CB 4.32Å
340	K	98.3	Very high	96.5	Very high	168 Å²	168	57.9 Å²	57.9	73%	0.73	30%	0.295	S	S	*	.	H	α-helix	trans	-71	-42.6	-173.7	-177	178.1	178.1	179.1	0	113.4	G336 I337	G336-K340 VanDerWaalsContact O-CB 3.3Å; G336-K340 WeakPolarHBondContact O-CB 3.33Å; G336-K340 PolarHBondContact O-N 3.17Å; I337-K340 PolarHBondContact O-N 3.34Å
341	Q	98.4	Very high	96.9	Very high	83 Å²	83	55.6 Å²	55.6	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-96.4	-27.4	-169.2	-59	-62.8	-25.8	0	0	113.1	Y287 I337	Y287-Q341 HydrophobicContact CD2-CB 4.02Å; Y287-Q341 HydrophobicContact CD2-CG 3.59Å; Y287-Q341 HydrophobicContact CE2-CG 3.67Å; Y287-Q341 HydrophobicContact CG-CB 4.01Å; Y287-Q341 HydrophobicContact CG-CG 4.06Å; I337-Q341 HydrophobicContact CG2-CB 4.46Å; I337-Q341 HydrophobicContact CG2-CG 3.92Å; I337-Q341 VanDerWaalsContact O-CB 3.29Å; I337-Q341 WeakPolarHBondContact O-CB 3.12Å; I337-Q341 WeakPolarHBondContact O-CG 3.27Å; I337-Q341 PolarHBondContact O-N 3.06Å
342	L	98.4	Very high	97.4	Very high	18 Å²	18	59.1 Å²	59.1	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-112.6	-6.1	-175.9	-48.5	-176.2	0	0	0	113	A281 L282 S285 V291 L293 A338 W344	A281-L342 HydrophobicContact CB-CB 4.2Å; L282-L342 HydrophobicContact CB-CD1 3.84Å; L282-L342 HydrophobicContact CB-CD2 4.36Å; L282-L342 HydrophobicContact CD1-CD1 4.15Å; L282-L342 HydrophobicContact CD1-CD2 3.95Å; S285-L342 VanDerWaalsContact CB-CD2 3.47Å; S285-L342 WeakPolarHBondContact OG-CD2 3.37Å; V291-L342 HydrophobicContact CG1-CD1 3.91Å; L293-L342 HydrophobicContact CD2-CD1 4.29Å; A338-L342 WeakPolarHBondContact O-CA 3.29Å; A338-L342 VanDerWaalsContact O-CB 3.24Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 PolarHBondContact O-N 2.92Å; L342-W344 HydrophobicContact CB-CB 3.85Å; L342-W344 PolarHBondContact O-N 3.27Å
343	N	98.1	Very high	97.5	Very high	156 Å²	156	57 Å²	57	83%	0.834	30%	0.296	S	S	*	.			trans	49.5	39.3	-168.5	-170.8	40.4	0	0	0	111.5	A338 I339	A338-N343 PolarHBondContact O-N 3.47Å; I339-N343 VanDerWaalsContact O-CA 3.32Å; I339-N343 WeakPolarHBondContact O-CA 3.24Å; I339-N343 PolarHBondContact O-N 2.83Å
344	W	98.5	Very high	97.5	Very high	16 Å²	16	56.9 Å²	56.9	6%	0.061	30%	0.296	C	S	.	.			trans	-119.7	140.5	-173.1	176.1	93.7	0	0	0	110.8	Q270 D274 G278 L293 A338 I339 L342	Q270-W344 VanDerWaalsContact OE1-CZ2 3.25Å; D274-W344 HydrophobicContact CB-CZ2 4.23Å; D274-W344 WeakPolarHBondContact O-CZ2 3.42Å; D274-W344 PolarHBondContact O-NE1 3.46Å; G278-W344 VanDerWaalsContact CA-NE1 3.26Å; G278-W344 VanDerWaalsContact N-NE1 3.11Å; L293-W344 HydrophobicContact CB-CH2 4.45Å; L293-W344 HydrophobicContact CD2-CD2 4.21Å; L293-W344 HydrophobicContact CD2-CE3 3.92Å; L293-W344 HydrophobicContact CD2-CH2 4.2Å; L293-W344 HydrophobicContact CD2-CZ2 4.46Å; L293-W344 HydrophobicContact CD2-CZ3 3.92Å; A338-W344 CarbonylContact C-O 3.5Å; A338-W344 HydrophobicContact CB-CE3 3.64Å; A338-W344 HydrophobicContact CB-CZ3 4.04Å; A338-W344 PolarHBondContact O-N 3.2Å; I339-W344 WeakPolarHBondContact CA-O 3.16Å; I339-W344 WeakPolarHBondContact CG1-O 3.28Å; I339-W344 PolarHBondContact N-O 3.44Å; L342-W344 HydrophobicContact CB-CB 3.85Å; L342-W344 PolarHBondContact O-N 3.27Å
345	K	98	Very high	97.4	Very high	136 Å²	136	56.1 Å²	56.1	59%	0.591	30%	0.295	S	S	*	.			trans	-154.1	151.9	168.2	62.7	-178.7	-178.8	179.7	0	108.5	I339	I339-K345 HydrophobicContact CG1-CB 4.32Å
346	P	97.8	Very high	97.3	Very high	22 Å²	22	59.6 Å²	59.6	14%	0.143	31%	0.31	C	S	.	.			trans	-62.7	139.5	172.8	30	-37.9	0	0	0	110.5	D274 N295	D274-P346 HydrophobicContact CB-CB 4.05Å; D274-P346 WeakPolarHBondContact OD2-CA 3.37Å; D274-P346 WeakPolarHBondContact OD2-CB 3.33Å; N295-P346 HydrophobicContact CB-CG 4.23Å
347	T	97.8	Very high	97.2	Very high	103 Å²	103	58 Å²	58	63%	0.632	29%	0.293	S	S	*	.			trans	-117.3	-18.2	178.7	61.2	0	0	0	0	112.9	D274	D274-T347 VanDerWaalsContact CG-N 3.35Å; D274-T347 PolarHBondContact OD1-N 2.79Å; D274-T347 VanDerWaalsContact OD1-N 3.1Å; D274-T347 PolarHBondContact OD1-OG1 2.98Å; D274-T347 PolarHBondContact OD2-N 2.77Å
348	V	97.6	Very high	97.1	Very high	12 Å²	12	56 Å²	56	7%	0.073	28%	0.283	C	S	.	.	S	Bend	trans	-86.2	123.9	-178.7	-178.2	0	0	0	0	109.5	Y271 D274 E352	Y271-V348 HydrophobicContact CD1-CB 3.96Å; Y271-V348 HydrophobicContact CD1-CG1 3.68Å; Y271-V348 HydrophobicContact CD1-CG2 3.88Å; Y271-V348 HydrophobicContact CE1-CG1 4.41Å; Y271-V348 HydrophobicContact CG-CB 4.14Å; Y271-V348 HydrophobicContact CG-CG1 3.74Å; D274-V348 WeakPolarHBondContact OD2-CB 3.25Å; D274-V348 PolarHBondContact OD2-N 3.21Å; V348-E352 HydrophobicContact CG1-CB 4.01Å; V348-E352 HydrophobicContact CG1-CG 4.06Å
349	T	96.1	Very high	96.9	Very high	71 Å²	71	60.6 Å²	60.6	44%	0.436	31%	0.306	S	S	.	.			trans	-69.4	157.8	176.5	64.4	0	0	0	0	111.2	Q351 E352 G353	T349-Q351 PolarHBondContact O-N 3.42Å; T349-E352 PolarHBondContact O-N 3.19Å; T349-E352 VanDerWaalsContact OG1-CB 3.32Å; T349-E352 WeakPolarHBondContact OG1-CB 3.35Å; T349-E352 PolarHBondContact OG1-N 2.9Å; T349-E352 VanDerWaalsContact OG1-N 3.16Å; T349-G353 PolarHBondContact O-N 2.81Å
350	L	94.3	Very high	96.7	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-41	175.5	179.9	58.4	0	0	0	111.2	Y232 F269 F299 L304 M307 L354	Y232-L350 HydrophobicContact CE1-CD1 4.02Å; Y232-L350 WeakPolarHBondContact OH-CA 3.37Å; Y232-L350 PolarHBondContact OH-O 3.23Å; F269-L350 HydrophobicContact CB-CD1 3.96Å; F269-L350 HydrophobicContact CD2-CD1 4.37Å; F269-L350 HydrophobicContact CD2-CD2 4.41Å; F269-L350 HydrophobicContact CG-CD1 4.38Å; F299-L350 HydrophobicContact CB-CD2 4.45Å; F299-L350 HydrophobicContact CD1-CD2 3.81Å; F299-L350 HydrophobicContact CD2-CD2 3.67Å; F299-L350 HydrophobicContact CE1-CD2 3.88Å; F299-L350 HydrophobicContact CE2-CB 4.08Å; F299-L350 HydrophobicContact CE2-CD2 3.75Å; F299-L350 HydrophobicContact CG-CD2 3.7Å; F299-L350 HydrophobicContact CZ-CB 3.95Å; F299-L350 HydrophobicContact CZ-CD2 3.85Å; L304-L350 HydrophobicContact CD1-CD1 4.42Å; L304-L350 HydrophobicContact CD1-CD2 4.36Å; M307-L350 HydrophobicContact SD-CD2 3.8Å; M307-L350 HydrophobicContact SD-CG 4.29Å; L350-L354 HydrophobicContact CD1-CD1 3.94Å; L350-L354 HydrophobicContact CD1-CD2 4.48Å; L350-L354 HydrophobicContact CD1-CG 3.87Å; L350-L354 HydrophobicContact CG-CD1 3.84Å; L350-L354 HydrophobicContact CG-CG 4.23Å; L350-L354 VanDerWaalsContact O-CB 3.24Å; L350-L354 WeakPolarHBondContact O-CB 3.44Å; L350-L354 WeakPolarHBondContact O-CG 3.42Å; L350-L354 PolarHBondContact O-N 3.31Å
351	Q	94.8	Very high	96.5	Very high	81 Å²	81	50.9 Å²	50.9	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-48.7	178.7	-65.6	84.7	-8.7	0	0	112	F311 T349 S355	F311-Q351 HydrophobicContact CE2-CG 4.4Å; F311-Q351 HydrophobicContact CZ-CB 3.79Å; F311-Q351 HydrophobicContact CZ-CG 4.09Å; T349-Q351 PolarHBondContact O-N 3.42Å; Q351-S355 WeakPolarHBondContact O-CB 3.45Å; Q351-S355 PolarHBondContact O-N 2.65Å
352	E	96.7	Very high	96.2	Very high	83 Å²	83	51.2 Å²	51.2	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-46.5	179.2	-177.3	-172.9	164.2	0	0	111.5	V348 T349 S355 K356	V348-E352 HydrophobicContact CG1-CB 4.01Å; V348-E352 HydrophobicContact CG1-CG 4.06Å; T349-E352 PolarHBondContact O-N 3.19Å; T349-E352 VanDerWaalsContact OG1-CB 3.32Å; T349-E352 WeakPolarHBondContact OG1-CB 3.35Å; T349-E352 PolarHBondContact OG1-N 2.9Å; T349-E352 VanDerWaalsContact OG1-N 3.16Å; E352-S355 PolarHBondContact O-N 2.88Å; E352-K356 PolarHBondContact O-N 3.3Å; E352-K356 WeakPolarHBondContact OE1-CE 3.34Å; E352-K356 IonicContact OE1-NZ 3.66Å; E352-K356 PolarHBondContact OE1-NZ 3.29Å
353	G	97	Very high	95.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-38.8	179.8	0	0	0	0	0	112.5	Y232 Y271 T349 K356 T357	Y232-G353 VanDerWaalsContact OH-CA 3.28Å; Y232-G353 WeakPolarHBondContact OH-CA 3.31Å; Y271-G353 VanDerWaalsContact CD2-CA 3.41Å; Y271-G353 WeakPolarHBondContact CE2-O 3.21Å; T349-G353 PolarHBondContact O-N 2.81Å; G353-K356 PolarHBondContact O-N 3.38Å; G353-T357 WeakPolarHBondContact O-CB 3.37Å; G353-T357 PolarHBondContact O-N 3.35Å; G353-T357 PolarHBondContact O-OG1 2.96Å
354	L	95.6	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-45.8	174.4	-79.6	175.9	0	0	0	111.2	Y232 V244 I248 L304 M307 V308 L350 K356 T357 I358	Y232-L354 HydrophobicContact CE2-CD2 4.22Å; Y232-L354 HydrophobicContact CE2-CG 4.36Å; V244-L354 HydrophobicContact CG1-CD2 3.97Å; I248-L354 HydrophobicContact CD1-CD2 4.19Å; L304-L354 HydrophobicContact CD1-CD1 4.11Å; L304-L354 HydrophobicContact CD1-CD2 4.33Å; M307-L354 HydrophobicContact CB-CD1 4.08Å; V308-L354 HydrophobicContact CG2-CD1 4.48Å; V308-L354 HydrophobicContact CG2-CD2 4.13Å; L350-L354 HydrophobicContact CD1-CD1 3.94Å; L350-L354 HydrophobicContact CD1-CD2 4.48Å; L350-L354 HydrophobicContact CD1-CG 3.87Å; L350-L354 HydrophobicContact CG-CD1 3.84Å; L350-L354 HydrophobicContact CG-CG 4.23Å; L350-L354 VanDerWaalsContact O-CB 3.24Å; L350-L354 WeakPolarHBondContact O-CB 3.44Å; L350-L354 WeakPolarHBondContact O-CG 3.42Å; L350-L354 PolarHBondContact O-N 3.31Å; L354-K356 PolarHBondContact O-N 3.38Å; L354-T357 PolarHBondContact O-N 3.49Å; L354-I358 HydrophobicContact CB-CD1 4.5Å; L354-I358 WeakPolarHBondContact O-CB 3.04Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.32Å; L354-I358 PolarHBondContact O-N 2.76Å
355	S	96	Very high	94.9	Very high	49 Å²	49	51.6 Å²	51.6	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-54.7	-51.2	177	-179.2	0	0	0	0	111.9	Q351 E352 T357 I358 I359	Q351-S355 WeakPolarHBondContact O-CB 3.45Å; Q351-S355 PolarHBondContact O-N 2.65Å; E352-S355 PolarHBondContact O-N 2.88Å; S355-T357 VanDerWaalsContact C-N 3.34Å; S355-T357 PolarHBondContact O-N 3.43Å; S355-I358 PolarHBondContact O-N 3.39Å; S355-I359 WeakPolarHBondContact O-CG1 3.22Å; S355-I359 PolarHBondContact O-N 3.49Å; S355-I359 VanDerWaalsContact O-N 3.07Å
356	K	96.6	Very high	94	Very high	85 Å²	85	51.5 Å²	51.5	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-40	177.6	-67.1	175.6	-172.8	171.4	0	112.5	Y271 E352 G353 L354 Y360	Y271-K356 HydrophobicContact CE1-CD 4.29Å; Y271-K356 WeakPolarHBondContact OH-CB 3.46Å; E352-K356 PolarHBondContact O-N 3.3Å; E352-K356 WeakPolarHBondContact OE1-CE 3.34Å; E352-K356 IonicContact OE1-NZ 3.66Å; E352-K356 PolarHBondContact OE1-NZ 3.29Å; G353-K356 PolarHBondContact O-N 3.38Å; L354-K356 PolarHBondContact O-N 3.38Å; K356-Y360 PolarHBondContact O-N 3.16Å
357	T	96.3	Very high	92	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-44.1	179.1	-53.6	0	0	0	0	110.8	G233 I248 G353 L354 S355 I359 Y360 F361	G233-T357 WeakPolarHBondContact CA-OG1 3.33Å; I248-T357 HydrophobicContact CD1-CG2 3.74Å; G353-T357 WeakPolarHBondContact O-CB 3.37Å; G353-T357 PolarHBondContact O-N 3.35Å; G353-T357 PolarHBondContact O-OG1 2.96Å; L354-T357 PolarHBondContact O-N 3.49Å; S355-T357 VanDerWaalsContact C-N 3.34Å; S355-T357 PolarHBondContact O-N 3.43Å; T357-I359 VanDerWaalsContact C-N 3.34Å; T357-I359 PolarHBondContact O-N 3.44Å; T357-Y360 WeakPolarHBondContact O-CB 3.2Å; T357-Y360 PolarHBondContact O-N 3.19Å; T357-F361 HydrophobicContact CG2-CD2 3.79Å; T357-F361 HydrophobicContact CG2-CE2 3.73Å; T357-F361 VanDerWaalsContact O-CD2 3.27Å; T357-F361 WeakPolarHBondContact O-CD2 3.14Å; T357-F361 PolarHBondContact O-N 3.17Å
358	I	95.1	Very high	89.7	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-40.7	178.8	-72.1	164	0	0	0	111.1	I248 F311 T312 L354 S355 Y360 F361 K362	I248-I358 HydrophobicContact CD1-CG1 3.94Å; I248-I358 HydrophobicContact CG1-CG1 3.94Å; I248-I358 HydrophobicContact CG2-CG1 4.04Å; F311-I358 HydrophobicContact CB-CD1 3.4Å; F311-I358 VanDerWaalsContact CB-CD1 3.4Å; F311-I358 HydrophobicContact CG-CD1 4.39Å; T312-I358 HydrophobicContact CG2-CD1 3.84Å; T312-I358 HydrophobicContact CG2-CG1 4.07Å; T312-I358 HydrophobicContact CG2-CG2 3.99Å; L354-I358 HydrophobicContact CB-CD1 4.5Å; L354-I358 WeakPolarHBondContact O-CB 3.04Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.32Å; L354-I358 PolarHBondContact O-N 2.76Å; S355-I358 PolarHBondContact O-N 3.39Å; I358-Y360 VanDerWaalsContact C-N 3.34Å; I358-Y360 PolarHBondContact O-N 3.33Å; I358-F361 PolarHBondContact O-N 2.73Å; I358-K362 HydrophobicContact CG2-CD 4.14Å; I358-K362 HydrophobicContact CG2-CG 4.31Å; I358-K362 WeakPolarHBondContact O-CB 3.29Å; I358-K362 WeakPolarHBondContact O-CG 3.22Å; I358-K362 PolarHBondContact O-N 2.97Å
359	I	95.3	Very high	87.1	Confident	95 Å²	95	60.5 Å²	60.5	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-57.1	-49.3	174.5	-68.5	164.8	0	0	0	110.3	S355 T357 F361 K362 D363	S355-I359 WeakPolarHBondContact O-CG1 3.22Å; S355-I359 PolarHBondContact O-N 3.49Å; S355-I359 VanDerWaalsContact O-N 3.07Å; T357-I359 VanDerWaalsContact C-N 3.34Å; T357-I359 PolarHBondContact O-N 3.44Å; I359-F361 PolarHBondContact O-N 2.79Å; I359-K362 PolarHBondContact O-N 2.99Å; I359-D363 PolarHBondContact O-N 3.46Å
360	Y	94.6	Very high	84.2	Confident	50 Å²	50	66 Å²	66	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.5	172.3	-100.2	0	0	0	112.4	P234 R235 K356 T357 I358 K362 D363 I364	P234-Y360 HydrophobicContact CB-CD1 4.02Å; P234-Y360 HydrophobicContact CB-CD2 3.94Å; P234-Y360 HydrophobicContact CB-CG 3.67Å; P234-Y360 HydrophobicContact CG-CG 4.4Å; R235-Y360 WeakPolarHBondContact CA-OH 3.34Å; R235-Y360 HydrophobicContact CG-CE2 4.5Å; R235-Y360 VanDerWaalsContact N-CZ 3.25Å; K356-Y360 PolarHBondContact O-N 3.16Å; T357-Y360 WeakPolarHBondContact O-CB 3.2Å; T357-Y360 PolarHBondContact O-N 3.19Å; I358-Y360 VanDerWaalsContact C-N 3.34Å; I358-Y360 PolarHBondContact O-N 3.33Å; Y360-K362 PolarHBondContact O-N 3.04Å; Y360-D363 PolarHBondContact O-N 3.44Å; Y360-I364 HydrophobicContact CD1-CD1 4.17Å; Y360-I364 HydrophobicContact CD2-CG2 4.39Å; Y360-I364 HydrophobicContact CE1-CD1 3.6Å; Y360-I364 HydrophobicContact CE1-CG2 4.29Å; Y360-I364 HydrophobicContact CE2-CG2 3.86Å; Y360-I364 PolarHBondContact O-N 3.21Å; Y360-I364 VanDerWaalsContact O-N 3.13Å
361	F	92.9	Very high	81.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-38.3	179	-87.9	-110.4	0	0	0	112.3	M236 I238 T245 I248 L252 T357 I358 I359 D363 I364 L365	M236-F361 HydrophobicContact CB-CZ 4.34Å; I238-F361 HydrophobicContact CB-CE1 4.33Å; I238-F361 HydrophobicContact CG1-CD1 4.37Å; I238-F361 HydrophobicContact CG1-CE1 4.07Å; I238-F361 HydrophobicContact CG2-CE1 4.44Å; T245-F361 HydrophobicContact CG2-CZ 3.85Å; I248-F361 HydrophobicContact CG2-CB 3.62Å; I248-F361 HydrophobicContact CG2-CD1 3.82Å; I248-F361 HydrophobicContact CG2-CD2 4.37Å; I248-F361 HydrophobicContact CG2-CG 3.69Å; L252-F361 HydrophobicContact CD1-CB 3.75Å; T357-F361 HydrophobicContact CG2-CD2 3.79Å; T357-F361 HydrophobicContact CG2-CE2 3.73Å; T357-F361 VanDerWaalsContact O-CD2 3.27Å; T357-F361 WeakPolarHBondContact O-CD2 3.14Å; T357-F361 PolarHBondContact O-N 3.17Å; I358-F361 PolarHBondContact O-N 2.73Å; I359-F361 PolarHBondContact O-N 2.79Å; F361-D363 VanDerWaalsContact C-N 3.3Å; F361-D363 PolarHBondContact O-N 2.85Å; F361-I364 HydrophobicContact CG-CD1 4.49Å; F361-I364 WeakPolarHBondContact O-CG1 3.39Å; F361-I364 PolarHBondContact O-N 3.34Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 VanDerWaalsContact O-CG 3.29Å; F361-L365 WeakPolarHBondContact O-CG 3.28Å; F361-L365 PolarHBondContact O-N 3.45Å
362	K	92.8	Very high	78.8	Confident	90 Å²	90	74.5 Å²	74.5	39%	0.391	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-40.8	173.2	-78.3	-179.7	176.1	-176.1	0	111.4	L252 I358 I359 Y360 K366	L252-K362 HydrophobicContact CD1-CG 3.94Å; L252-K362 HydrophobicContact CD2-CD 4.24Å; L252-K362 VanDerWaalsContact CD2-CE 3.5Å; L252-K362 HydrophobicContact CD2-CG 3.66Å; L252-K362 HydrophobicContact CG-CG 4.48Å; I358-K362 HydrophobicContact CG2-CD 4.14Å; I358-K362 HydrophobicContact CG2-CG 4.31Å; I358-K362 WeakPolarHBondContact O-CB 3.29Å; I358-K362 WeakPolarHBondContact O-CG 3.22Å; I358-K362 PolarHBondContact O-N 2.97Å; I359-K362 PolarHBondContact O-N 2.99Å; Y360-K362 PolarHBondContact O-N 3.04Å; K362-K366 WeakPolarHBondContact O-CG 3.26Å; K362-K366 PolarHBondContact O-N 3.17Å
363	D	91.6	Very high	75.8	Confident	85 Å²	85	78.2 Å²	78.2	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-70.1	-39.5	-178.8	-73.3	-27.4	0	0	0	113	I359 Y360 F361 K366	I359-D363 PolarHBondContact O-N 3.46Å; Y360-D363 PolarHBondContact O-N 3.44Å; F361-D363 VanDerWaalsContact C-N 3.3Å; F361-D363 PolarHBondContact O-N 2.85Å; D363-K366 IonicContact OD1-NZ 2.7Å; D363-K366 PolarHBondContact OD1-NZ 2.79Å
364	I	89.5	Confident	72.9	Confident	65 Å²	65	91.1 Å²	91.1	33%	0.333	48%	0.483	S	S	.	.	H	α-helix	trans	-80.2	-21.5	179.1	68.1	-179.5	0	0	0	113.8	I238 Y360 F361	I238-I364 HydrophobicContact CD1-CD1 3.66Å; I238-I364 HydrophobicContact CD1-CG1 4.02Å; I238-I364 HydrophobicContact CG1-CD1 3.64Å; I238-I364 HydrophobicContact CG1-CG1 4.46Å; Y360-I364 HydrophobicContact CD1-CD1 4.17Å; Y360-I364 HydrophobicContact CD2-CG2 4.39Å; Y360-I364 HydrophobicContact CE1-CD1 3.6Å; Y360-I364 HydrophobicContact CE1-CG2 4.29Å; Y360-I364 HydrophobicContact CE2-CG2 3.86Å; Y360-I364 PolarHBondContact O-N 3.21Å; Y360-I364 VanDerWaalsContact O-N 3.13Å; F361-I364 HydrophobicContact CG-CD1 4.49Å; F361-I364 WeakPolarHBondContact O-CG1 3.39Å; F361-I364 PolarHBondContact O-N 3.34Å
365	L	85.9	Confident	71.8	Confident	49 Å²	49	95.7 Å²	95.7	26%	0.257	51%	0.507	S	S	.	.	H	α-helix	trans	-91	-7.8	176.7	-72.9	172.1	0	0	0	113.2	I238 L252 F361	I238-L365 HydrophobicContact CD1-CD2 3.79Å; I238-L365 HydrophobicContact CD1-CG 4.28Å; I238-L365 HydrophobicContact CG2-CD2 4.38Å; L252-L365 HydrophobicContact CB-CD1 4.04Å; L252-L365 HydrophobicContact CD1-CD1 3.92Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 VanDerWaalsContact O-CG 3.29Å; F361-L365 WeakPolarHBondContact O-CG 3.28Å; F361-L365 PolarHBondContact O-N 3.45Å
366	K	79.6	Confident	70.5	Confident	133 Å²	133	98.2 Å²	98.2	58%	0.578	52%	0.515	S	S	*	.	S	Bend	trans	-53.5	128.4	170.5	-86	164.9	-173.9	164.8	0	108.1	K362 D363 S368	K362-K366 WeakPolarHBondContact O-CG 3.26Å; K362-K366 PolarHBondContact O-N 3.17Å; D363-K366 IonicContact OD1-NZ 2.7Å; D363-K366 PolarHBondContact OD1-NZ 2.79Å; K366-S368 PolarHBondContact O-N 3.01Å
367	P	56.7	Low	69.1	Low	116 Å²	116	98.9 Å²	98.9	75%	0.753	52%	0.523	S	S	*	.			trans	-50.6	132.5	167	-19.7	29.6	0	0	0	107.1	S369	P367-S369 VanDerWaalsContact C-N 3.31Å; P367-S369 PolarHBondContact O-N 3.22Å
368	S	48.5	Very low	67.5	Low	112 Å²	112	104.6 Å²	104.6	78%	0.783	55%	0.554	S	S	*	*			trans	-51.7	106.7	165.6	49.8	0	0	0	0	105.8	K366 E370	K366-S368 PolarHBondContact O-N 3.01Å; S368-E370 PolarHBondContact O-N 2.67Å; S368-E370 VanDerWaalsContact O-N 3.07Å
369	S	42	Very low	65.7	Low	99 Å²	99	110.9 Å²	110.9	69%	0.692	59%	0.587	S	S	*	*			trans	-52.6	123.2	173	48.5	0	0	0	0	105.8	P367 C371	P367-S369 VanDerWaalsContact C-N 3.31Å; P367-S369 PolarHBondContact O-N 3.22Å; S369-C371 PolarHBondContact O-N 3.07Å
370	E	36.9	Very low	63.8	Low	185 Å²	185	112 Å²	112	86%	0.864	59%	0.594	S	S	*	*			trans	-53.1	86.7	169.5	-69.6	174.3	156.5	0	0	108.1	S368	S368-E370 PolarHBondContact O-N 2.67Å; S368-E370 VanDerWaalsContact O-N 3.07Å
371	C	39.8	Very low	61.6	Low	103 Å²	103	116.4 Å²	116.4	70%	0.696	62%	0.622	S	S	*	*			trans	-137.1	68.6	175	-143.8	0	0	0	0	103.8	S369	S369-C371 PolarHBondContact O-N 3.07Å
372	D	36	Very low	59.2	Low	161 Å²	161	125.4 Å²	125.4	86%	0.861	67%	0.67	S	S	*	*	S	Bend	trans	176.2	55.6	156.6	-81.9	-18.3	0	0	0	108.2
373	M	31.9	Very low	56.4	Low	161 Å²	161	128.3 Å²	128.3	79%	0.793	69%	0.693	S	S	*	*			trans	-142.9	71.4	159	-76.6	-145	-54.3	0	0	109.3
374	H	37.7	Very low	53.2	Low	271 Å²	271	132.3 Å²	132.3	100%	1.255	72%	0.715	S	S	*	*			trans	-142.4	0	151	-83.3	-43.3	0	0	0	110

Retrieved 374 of 374 residues in 77.9 ms (Link to these results)

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