A0A077ZEE7_TRITR Loading...

Pseudouridylate synthase RPUSD4, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZEE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	35.3	Very low	236 Å²	236	168 Å²	168	100%	1.163	86%	0.862	S	S	*	*				0	110	0	-82.6	-178.6	-172.4	0	0	105.3
2	D	36.2	Very low	35.1	Very low	166 Å²	166	167.3 Å²	167.3	89%	0.888	86%	0.862	S	S	*	*			trans	-148.5	102.6	161.2	-83.7	-42.3	0	0	0	106.9
3	R	34.7	Very low	35.3	Very low	239 Å²	239	162.2 Å²	162.2	90%	0.902	85%	0.849	S	S	*	*			trans	-91.7	119.7	166.8	-65.9	-176.3	-169.5	-177.6	3.7	105.7
4	L	38.2	Very low	35.2	Very low	176 Å²	176	157.8 Å²	157.8	92%	0.921	85%	0.848	S	S	*	*			trans	-119.4	119.8	161.9	-83.1	162.7	0	0	0	107.4
5	N	37.1	Very low	35.4	Very low	150 Å²	150	156.2 Å²	156.2	80%	0.802	84%	0.837	S	S	*	*			trans	-72.8	149.4	-172.5	-89.9	-13.9	0	0	0	111.9
6	D	31.1	Very low	35.1	Very low	148 Å²	148	153.2 Å²	153.2	79%	0.791	83%	0.832	S	S	*	*			trans	-48.1	137.1	150.5	-61.9	-57.1	0	0	0	111.7
7	T	35.1	Very low	35.2	Very low	117 Å²	117	154.4 Å²	154.4	72%	0.718	83%	0.83	S	S	*	*				168.5	110.3	117.9	42.5	0	0	0	0	107.9
8	D	36.4	Very low	35	Very low	167 Å²	167	155.3 Å²	155.3	89%	0.893	83%	0.829	S	S	*	*			trans	-145.7	124.1	140.8	-96.9	-29.4	0	0	0	108.9	C10	D8-C10 PolarHBondContact O-N 3.22Å
9	I	36.3	Very low	35.1	Very low	152 Å²	152	153.5 Å²	153.5	78%	0.779	83%	0.826	S	S	*	*			trans	-83.5	112.2	-164.4	-69.3	159	0	0	0	107.9	E11	I9-E11 PolarHBondContact O-N 3.04Å
10	C	34.3	Very low	35.2	Very low	115 Å²	115	158 Å²	158	78%	0.777	83%	0.831	S	S	*	*			trans	-70.1	110.4	169.1	-68.4	0	0	0	0	110	D8 N12	D8-C10 PolarHBondContact O-N 3.22Å; C10-N12 PolarHBondContact O-N 3.19Å
11	E	34.9	Very low	35.3	Very low	182 Å²	182	160.3 Å²	160.3	85%	0.85	83%	0.834	S	S	*	*			trans	-61.7	111.4	167.3	-72.5	-178.1	149.9	0	0	110.4	I9 S13	I9-E11 PolarHBondContact O-N 3.04Å; E11-S13 PolarHBondContact O-N 3.28Å
12	N	33.3	Very low	35.9	Very low	160 Å²	160	154.6 Å²	154.6	86%	0.856	82%	0.818	S	S	*	*			trans	-72.3	90	172.2	-82.6	-41.4	0	0	0	110.3	C10 A14	C10-N12 PolarHBondContact O-N 3.19Å; N12-A14 PolarHBondContact O-N 3.26Å
13	S	36.6	Very low	36.3	Very low	100 Å²	100	149.3 Å²	149.3	70%	0.699	80%	0.802	S	S	*	*			trans	-71.3	107	162.4	61.3	0	0	0	0	109.3	E11 I15	E11-S13 PolarHBondContact O-N 3.28Å; S13-I15 PolarHBondContact O-N 2.68Å
14	A	34.4	Very low	37.5	Very low	101 Å²	101	142.1 Å²	142.1	84%	0.835	79%	0.786	S	S	*	*			trans	-63.1	99.6	178.1	0	0	0	0	0	111.3	N12 S16	N12-A14 PolarHBondContact O-N 3.26Å; A14-S16 PolarHBondContact O-N 3.4Å
15	I	37.8	Very low	39.1	Very low	134 Å²	134	135.9 Å²	135.9	69%	0.687	76%	0.758	S	S	*	*			trans	-76.9	107.8	167.6	-61.1	173.7	0	0	0	107.3	S13 H17	S13-I15 PolarHBondContact O-N 2.68Å; I15-H17 PolarHBondContact O-N 3.33Å
16	S	31.3	Very low	41.1	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	75%	0.751	S	S	*	*			trans	-61	101.2	172.6	54.1	0	0	0	0	110.2	A14 E18	A14-S16 PolarHBondContact O-N 3.4Å; S16-E18 PolarHBondContact O-N 2.95Å; S16-E18 VanDerWaalsContact O-N 3.17Å
17	H	35.9	Very low	43.2	Very low	173 Å²	173	126.6 Å²	126.6	80%	0.801	72%	0.718	S	S	*	*			trans	-76.8	94.8	168.7	-82.4	-59.7	0	0	0	109.7	I15	I15-H17 PolarHBondContact O-N 3.33Å
18	E	32.7	Very low	45.3	Very low	172 Å²	172	128.1 Å²	128.1	80%	0.804	71%	0.711	S	S	*	*			trans	-59.7	135.7	157.4	-77.9	-170.1	161.6	0	0	109.1	S16 R20	S16-E18 PolarHBondContact O-N 2.95Å; S16-E18 VanDerWaalsContact O-N 3.17Å; E18-R20 PolarHBondContact O-N 3.41Å
19	P	36.6	Very low	47.5	Very low	120 Å²	120	123.6 Å²	123.6	78%	0.779	69%	0.689	S	S	*	*			trans	-64.4	115.9	-178	24.2	-30.6	0	0	0	109.3	K21	P19-K21 PolarHBondContact O-N 3.05Å
20	R	36.9	Very low	49.6	Very low	243 Å²	243	119 Å²	119	92%	0.917	67%	0.668	S	S	*	*			trans	-48.7	110.2	170.9	-75.5	-176.8	178.1	-170.5	-0.1	108	E18 S22	E18-R20 PolarHBondContact O-N 3.41Å; R20-S22 PolarHBondContact O-N 3.33Å
21	K	36.6	Very low	51.8	Low	207 Å²	207	116.4 Å²	116.4	90%	0.9	64%	0.644	S	S	*	*			trans	-50.5	109.1	167.3	-73.2	-179.4	179.6	174.8	0	106.3	P19 G23	P19-K21 PolarHBondContact O-N 3.05Å; K21-G23 PolarHBondContact O-N 3.32Å
22	S	46.5	Very low	54	Low	117 Å²	117	109.5 Å²	109.5	82%	0.818	62%	0.622	S	S	*	*			trans	-62.5	109.5	-178.5	49.2	0	0	0	0	107.1	R20	R20-S22 PolarHBondContact O-N 3.33Å
23	G	44.7	Very low	56.3	Low	54 Å²	54	106.6 Å²	106.6	56%	0.557	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.5	161.5	170.3	0	0	0	0	0	109.9	K21 S25	K21-G23 PolarHBondContact O-N 3.32Å; G23-S25 PolarHBondContact O-N 3.01Å; G23-S25 VanDerWaalsContact O-N 3.16Å
24	P	60.7	Low	58.4	Low	88 Å²	88	105.7 Å²	105.7	57%	0.571	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-51.4	130.2	175.4	22	-31.1	0	0	0	108.9	A26 R28 V29	P24-A26 PolarHBondContact O-N 3.2Å; P24-R28 HydrophobicContact CB-CB 4.06Å; P24-V29 HydrophobicContact CB-CG2 4.18Å; P24-V29 HydrophobicContact CG-CG2 3.93Å
25	S	72.7	Confident	60.4	Low	46 Å²	46	108 Å²	108	32%	0.322	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-51.2	146.3	176.9	65	0	0	0	0	109.4	G23 F27 R28 V29	G23-S25 PolarHBondContact O-N 3.01Å; G23-S25 VanDerWaalsContact O-N 3.16Å; S25-F27 CarbonylContact O-C 3.26Å; S25-F27 PolarHBondContact O-N 3.4Å; S25-R28 WeakPolarHBondContact O-CA 3.45Å; S25-R28 WeakPolarHBondContact O-CB 3.4Å; S25-R28 PolarHBondContact O-N 3.23Å; S25-V29 PolarHBondContact O-N 3.27Å
26	A	77.2	Confident	62.4	Low	80 Å²	80	109.2 Å²	109.2	66%	0.661	58%	0.578	S	S	*	*	H	α-helix	trans	-49	-34.2	178.9	0	0	0	0	0	111.8	P24 V29 V30	P24-A26 PolarHBondContact O-N 3.2Å; A26-V29 PolarHBondContact O-N 3.2Å; A26-V30 WeakPolarHBondContact O-CG2 3.35Å; A26-V30 PolarHBondContact O-N 3.46Å
27	F	76	Confident	64.7	Low	22 Å²	22	108.4 Å²	108.4	10%	0.096	57%	0.565	C	S	.	*	H	α-helix	trans	-52.2	-53.6	169.6	178.5	-109.9	0	0	0	113.7	S25 V29 V30 Q31 E74 H77 L78 D81	S25-F27 CarbonylContact O-C 3.26Å; S25-F27 PolarHBondContact O-N 3.4Å; F27-V29 VanDerWaalsContact C-N 3.31Å; F27-V29 PolarHBondContact O-N 3.16Å; F27-V30 PolarHBondContact O-N 3.37Å; F27-Q31 HydrophobicContact CD1-CG 4.48Å; F27-Q31 HydrophobicContact CE1-CG 4.07Å; F27-Q31 HydrophobicContact CE2-CG 4.2Å; F27-Q31 VanDerWaalsContact CE2-NE2 3.27Å; F27-Q31 HydrophobicContact CZ-CG 3.91Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.17Å; F27-E74 HydrophobicContact CD2-CG 3.56Å; F27-E74 HydrophobicContact CE2-CG 3.47Å; F27-E74 VanDerWaalsContact CE2-CG 3.47Å; F27-E74 WeakPolarHBondContact CE2-O 3.35Å; F27-H77 HydrophobicContact CB-CB 4.16Å; F27-H77 HydrophobicContact CD1-CB 4.29Å; F27-H77 HydrophobicContact CD2-CB 3.98Å; F27-H77 HydrophobicContact CG-CB 3.88Å; F27-L78 HydrophobicContact CE2-CB 4.24Å; F27-L78 HydrophobicContact CZ-CB 3.95Å; F27-L78 HydrophobicContact CZ-CD1 4.15Å; F27-D81 WeakPolarHBondContact CD1-OD2 3.35Å; F27-D81 VanDerWaalsContact CE1-OD2 3.26Å; F27-D81 WeakPolarHBondContact CE1-OD2 3.46Å
28	R	79.7	Confident	66.9	Low	150 Å²	150	103 Å²	103	57%	0.566	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-36.4	-179.9	-70.4	-179.4	-177.4	178.8	2.4	112.2	P24 S25 Q31 G32	P24-R28 HydrophobicContact CB-CB 4.06Å; S25-R28 WeakPolarHBondContact O-CA 3.45Å; S25-R28 WeakPolarHBondContact O-CB 3.4Å; S25-R28 PolarHBondContact O-N 3.23Å; R28-Q31 PolarHBondContact O-N 3.17Å; R28-G32 PolarHBondContact O-N 3.3Å
29	V	81.8	Confident	69.1	Low	72 Å²	72	101.6 Å²	101.6	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-47.9	175.2	179	0	0	0	0	110.6	P24 S25 A26 F27 Q31 G32 I33	P24-V29 HydrophobicContact CB-CG2 4.18Å; P24-V29 HydrophobicContact CG-CG2 3.93Å; S25-V29 PolarHBondContact O-N 3.27Å; A26-V29 PolarHBondContact O-N 3.2Å; F27-V29 VanDerWaalsContact C-N 3.31Å; F27-V29 PolarHBondContact O-N 3.16Å; V29-Q31 VanDerWaalsContact C-N 3.35Å; V29-Q31 PolarHBondContact O-N 2.76Å; V29-G32 WeakPolarHBondContact O-CA 3.43Å; V29-G32 PolarHBondContact O-N 3.35Å; V29-G32 VanDerWaalsContact O-N 3.09Å; V29-I33 HydrophobicContact CG1-CD1 4.23Å; V29-I33 PolarHBondContact O-N 3.24Å
30	V	80.4	Confident	71.3	Confident	55 Å²	55	102.5 Å²	102.5	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-42	176.7	171.7	0	0	0	0	111.6	A26 F27 G32 I33 R34	A26-V30 WeakPolarHBondContact O-CG2 3.35Å; A26-V30 PolarHBondContact O-N 3.46Å; F27-V30 PolarHBondContact O-N 3.37Å; V30-G32 VanDerWaalsContact C-N 3.28Å; V30-G32 PolarHBondContact O-N 3.38Å; V30-I33 PolarHBondContact O-N 3.44Å; V30-R34 PolarHBondContact O-N 2.98Å
31	Q	80.7	Confident	73.7	Confident	61 Å²	61	93.1 Å²	93.1	29%	0.285	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-39	174.3	-64.7	-41.5	-58.5	0	0	112.1	F27 R28 V29 K35 E74	F27-Q31 HydrophobicContact CD1-CG 4.48Å; F27-Q31 HydrophobicContact CE1-CG 4.07Å; F27-Q31 HydrophobicContact CE2-CG 4.2Å; F27-Q31 VanDerWaalsContact CE2-NE2 3.27Å; F27-Q31 HydrophobicContact CZ-CG 3.91Å; F27-Q31 WeakPolarHBondContact O-CG 3.26Å; F27-Q31 PolarHBondContact O-N 3.17Å; R28-Q31 PolarHBondContact O-N 3.17Å; V29-Q31 VanDerWaalsContact C-N 3.35Å; V29-Q31 PolarHBondContact O-N 2.76Å; Q31-K35 PolarHBondContact O-N 2.59Å; Q31-K35 VanDerWaalsContact O-N 3.09Å; Q31-E74 PolarHBondContact NE2-OE1 3.11Å
32	G	80.4	Confident	76	Confident	37 Å²	37	84.9 Å²	84.9	38%	0.381	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-44.4	176.8	0	0	0	0	0	113.2	R28 V29 V30 K35 K36	R28-G32 PolarHBondContact O-N 3.3Å; V29-G32 WeakPolarHBondContact O-CA 3.43Å; V29-G32 PolarHBondContact O-N 3.35Å; V29-G32 VanDerWaalsContact O-N 3.09Å; V30-G32 VanDerWaalsContact C-N 3.28Å; V30-G32 PolarHBondContact O-N 3.38Å; G32-K35 PolarHBondContact O-N 3.12Å; G32-K36 PolarHBondContact O-N 2.86Å
33	I	81.9	Confident	78	Confident	98 Å²	98	84.3 Å²	84.3	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-63.3	-46.8	177.3	-64.5	167.8	0	0	0	110.5	V29 V30 K35 K36 L37	V29-I33 HydrophobicContact CG1-CD1 4.23Å; V29-I33 PolarHBondContact O-N 3.24Å; V30-I33 PolarHBondContact O-N 3.44Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 3.18Å; I33-K36 PolarHBondContact O-N 2.74Å; I33-K36 VanDerWaalsContact O-N 3.1Å; I33-L37 HydrophobicContact CG2-CD1 4.23Å; I33-L37 PolarHBondContact O-N 2.82Å
34	R	80.4	Confident	80.1	Confident	82 Å²	82	87.8 Å²	87.8	31%	0.309	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-37.5	178.1	-74.2	-174.5	-177.7	156.3	10.8	112.5	V30 K36 L37 Q38 E74	V30-R34 PolarHBondContact O-N 2.98Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.45Å; R34-L37 PolarHBondContact O-N 3.45Å; R34-Q38 WeakPolarHBondContact O-CG 3.19Å; R34-Q38 PolarHBondContact O-N 2.95Å; R34-E74 IonicContact CZ-OE1 3.53Å; R34-E74 IonicContact CZ-OE2 2.8Å; R34-E74 IonicContact NH1-OE1 3.68Å; R34-E74 PolarHBondContact NH1-OE1 3.1Å; R34-E74 IonicContact NH1-OE2 3.12Å; R34-E74 PolarHBondContact NH1-OE2 3.44Å; R34-E74 IonicContact NH2-OE1 3.1Å; R34-E74 PolarHBondContact NH2-OE1 2.74Å; R34-E74 IonicContact NH2-OE2 3.71Å; R34-E74 PolarHBondContact NH2-OE2 3.43Å
35	K	77.2	Confident	81.4	Confident	148 Å²	148	85.3 Å²	85.3	64%	0.643	43%	0.43	S	S	*	.	H	α-helix	trans	-62.5	-36.8	177.2	-171.7	-178	175.7	-166.8	0	112.3	Q31 G32 I33 Q38	Q31-K35 PolarHBondContact O-N 2.59Å; Q31-K35 VanDerWaalsContact O-N 3.09Å; G32-K35 PolarHBondContact O-N 3.12Å; I33-K35 VanDerWaalsContact C-N 3.26Å; I33-K35 PolarHBondContact O-N 3.18Å; K35-Q38 WeakPolarHBondContact O-CB 3.06Å; K35-Q38 PolarHBondContact O-N 2.94Å
36	K	79.1	Confident	82.1	Confident	161 Å²	161	87.9 Å²	87.9	70%	0.7	44%	0.435	S	S	*	.	H	α-helix	trans	-68.5	-44.5	177.2	-67.5	-176.1	178.3	-175	0	112	G32 I33 R34 Q38 E39	G32-K36 PolarHBondContact O-N 2.86Å; I33-K36 PolarHBondContact O-N 2.74Å; I33-K36 VanDerWaalsContact O-N 3.1Å; R34-K36 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 3.45Å; K36-Q38 PolarHBondContact O-N 2.95Å; K36-Q38 VanDerWaalsContact O-N 3.12Å; K36-E39 PolarHBondContact O-N 3.4Å
37	L	81	Confident	82.7	Confident	90 Å²	90	92.2 Å²	92.2	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-20.5	178.1	-66.5	171	0	0	0	113.4	I33 R34 E39 T41	I33-L37 HydrophobicContact CG2-CD1 4.23Å; I33-L37 PolarHBondContact O-N 2.82Å; R34-L37 PolarHBondContact O-N 3.45Å; L37-E39 VanDerWaalsContact C-N 3.32Å; L37-E39 PolarHBondContact O-N 3.03Å; L37-T41 PolarHBondContact O-N 3.1Å; L37-T41 PolarHBondContact O-OG1 3.29Å
38	Q	81.6	Confident	83.2	Confident	59 Å²	59	97.3 Å²	97.3	28%	0.276	47%	0.467	S	S	.	.	H	α-helix	trans	-64.6	-33.8	178	-74.5	173.2	-8.6	0	0	113.2	R34 K35 K36 I42 Y58 S62	R34-Q38 WeakPolarHBondContact O-CG 3.19Å; R34-Q38 PolarHBondContact O-N 2.95Å; K35-Q38 WeakPolarHBondContact O-CB 3.06Å; K35-Q38 PolarHBondContact O-N 2.94Å; K36-Q38 PolarHBondContact O-N 2.95Å; K36-Q38 VanDerWaalsContact O-N 3.12Å; Q38-I42 WeakPolarHBondContact O-CG1 3.31Å; Q38-I42 PolarHBondContact O-N 3.3Å; Q38-I42 VanDerWaalsContact O-N 3.17Å; Q38-Y58 WeakPolarHBondContact CA-OH 3.49Å; Q38-S62 PolarHBondContact NE2-O 3.1Å
39	E	79.5	Confident	83.7	Confident	144 Å²	144	91.1 Å²	91.1	67%	0.673	45%	0.446	S	S	*	.	H	α-helix	trans	-70.2	-46.1	-177.5	-68.2	177.6	177.2	0	0	111.1	K36 L37 T41 I42 E43	K36-E39 PolarHBondContact O-N 3.4Å; L37-E39 VanDerWaalsContact C-N 3.32Å; L37-E39 PolarHBondContact O-N 3.03Å; E39-T41 VanDerWaalsContact C-N 3.3Å; E39-T41 PolarHBondContact O-N 3.37Å; E39-I42 PolarHBondContact O-N 3.36Å; E39-E43 PolarHBondContact O-N 2.99Å
40	E	82.8	Confident	83.9	Confident	138 Å²	138	94.7 Å²	94.7	65%	0.645	47%	0.468	S	S	*	.	H	α-helix	trans	-59.4	-42	174.7	-65.2	172.8	178.2	0	0	111.5	I42 E43 E44	E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.41Å; E40-E43 PolarHBondContact O-N 3.24Å; E40-E44 PolarHBondContact O-N 3.44Å; E40-E44 VanDerWaalsContact O-N 3.16Å
41	T	85.9	Confident	84.4	Confident	47 Å²	47	95.4 Å²	95.4	29%	0.288	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-35.9	178.3	-52.5	0	0	0	0	112	L37 E39 E44 I45 Y58	L37-T41 PolarHBondContact O-N 3.1Å; L37-T41 PolarHBondContact O-OG1 3.29Å; E39-T41 VanDerWaalsContact C-N 3.3Å; E39-T41 PolarHBondContact O-N 3.37Å; T41-E44 PolarHBondContact O-N 3.08Å; T41-I45 HydrophobicContact CG2-CD1 3.87Å; T41-I45 HydrophobicContact CG2-CG1 4.34Å; T41-I45 VanDerWaalsContact O-CG1 3.26Å; T41-I45 WeakPolarHBondContact O-CG1 3.31Å; T41-I45 PolarHBondContact O-N 3.32Å; T41-Y58 VanDerWaalsContact CB-OH 3.31Å; T41-Y58 WeakPolarHBondContact CB-OH 3.49Å; T41-Y58 HydrophobicContact CG2-CD2 4.41Å; T41-Y58 HydrophobicContact CG2-CE2 3.52Å; T41-Y58 WeakPolarHBondContact CG2-OH 3.3Å
42	I	86.2	Confident	84.8	Confident	34 Å²	34	94 Å²	94	17%	0.174	47%	0.471	C	S	.	.	H	α-helix	trans	-65.5	-42.8	178.8	-73.7	168.5	0	0	0	110.9	Q38 E39 E40 E44 I45 K46 Y58	Q38-I42 WeakPolarHBondContact O-CG1 3.31Å; Q38-I42 PolarHBondContact O-N 3.3Å; Q38-I42 VanDerWaalsContact O-N 3.17Å; E39-I42 PolarHBondContact O-N 3.36Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 3.41Å; I42-E44 VanDerWaalsContact C-N 3.29Å; I42-E44 PolarHBondContact O-N 3.01Å; I42-I45 PolarHBondContact O-N 3.37Å; I42-K46 HydrophobicContact CG2-CD 4.42Å; I42-K46 WeakPolarHBondContact O-CG 3.01Å; I42-K46 PolarHBondContact O-N 3.47Å; I42-Y58 HydrophobicContact CD1-CD1 4.1Å; I42-Y58 HydrophobicContact CD1-CE1 3.96Å; I42-Y58 HydrophobicContact CG1-CD1 3.51Å; I42-Y58 HydrophobicContact CG1-CE1 3.43Å; I42-Y58 VanDerWaalsContact CG1-CE1 3.43Å
43	E	87.5	Confident	85.5	Confident	105 Å²	105	92.3 Å²	92.3	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-64.8	-35.9	177.8	-68.7	-53.3	145	0	0	111.9	E39 E40 K46	E39-E43 PolarHBondContact O-N 2.99Å; E40-E43 PolarHBondContact O-N 3.24Å; E43-K46 IonicContact OE1-NZ 3.69Å; E43-K46 PolarHBondContact OE1-NZ 3.33Å; E43-K46 WeakPolarHBondContact OE2-CD 3.48Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 3.46Å
44	E	88.8	Confident	86	Confident	126 Å²	126	90.8 Å²	90.8	59%	0.589	45%	0.446	S	S	*	.	H	α-helix	trans	-66.9	-44.4	173.9	-167.7	176.5	-169.5	0	0	112.3	E40 T41 I42 K46 K47	E40-E44 PolarHBondContact O-N 3.44Å; E40-E44 VanDerWaalsContact O-N 3.16Å; T41-E44 PolarHBondContact O-N 3.08Å; I42-E44 VanDerWaalsContact C-N 3.29Å; I42-E44 PolarHBondContact O-N 3.01Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.04Å; E44-K47 WeakPolarHBondContact O-CB 3.47Å; E44-K47 PolarHBondContact O-N 2.86Å
45	I	87.6	Confident	86.6	Confident	37 Å²	37	87.6 Å²	87.6	19%	0.19	44%	0.436	C	S	.	.	H	α-helix	trans	-61.2	-41.9	177.4	-69.8	168.5	0	0	0	111	T41 I42 K47 N48 D49 L54 V55 Y58	T41-I45 HydrophobicContact CG2-CD1 3.87Å; T41-I45 HydrophobicContact CG2-CG1 4.34Å; T41-I45 VanDerWaalsContact O-CG1 3.26Å; T41-I45 WeakPolarHBondContact O-CG1 3.31Å; T41-I45 PolarHBondContact O-N 3.32Å; I42-I45 PolarHBondContact O-N 3.37Å; I45-K47 PolarHBondContact O-N 2.82Å; I45-N48 PolarHBondContact O-N 2.78Å; I45-D49 HydrophobicContact CG2-CB 4.31Å; I45-D49 WeakPolarHBondContact O-CB 3.31Å; I45-D49 PolarHBondContact O-N 2.87Å; I45-L54 HydrophobicContact CG2-CB 3.59Å; I45-V55 HydrophobicContact CG2-CG2 3.87Å; I45-Y58 HydrophobicContact CD1-CD1 4.23Å; I45-Y58 HydrophobicContact CD1-CD2 3.26Å; I45-Y58 HydrophobicContact CD1-CE2 3.8Å; I45-Y58 HydrophobicContact CD1-CG 3.5Å; I45-Y58 VanDerWaalsContact CD1-CG 3.5Å
46	K	88.9	Confident	87.5	Confident	99 Å²	99	81.1 Å²	81.1	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-55	-34.7	179.3	-80.3	174.6	-177.9	174.5	0	112.9	I42 E43 E44 N48 D49 V55	I42-K46 HydrophobicContact CG2-CD 4.42Å; I42-K46 WeakPolarHBondContact O-CG 3.01Å; I42-K46 PolarHBondContact O-N 3.47Å; E43-K46 IonicContact OE1-NZ 3.69Å; E43-K46 PolarHBondContact OE1-NZ 3.33Å; E43-K46 WeakPolarHBondContact OE2-CD 3.48Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 3.46Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.04Å; K46-N48 PolarHBondContact O-N 3.32Å; K46-D49 PolarHBondContact O-N 3.28Å; K46-V55 HydrophobicContact CG-CG2 3.67Å
47	K	89.7	Confident	88.2	Confident	172 Å²	172	74 Å²	74	75%	0.748	38%	0.379	S	S	*	.	H	α-helix	trans	-60.1	-29.6	179.1	-65.2	175.1	-177.3	176.9	0	112.8	E44 I45	E44-K47 WeakPolarHBondContact O-CB 3.47Å; E44-K47 PolarHBondContact O-N 2.86Å; I45-K47 PolarHBondContact O-N 2.82Å
48	N	86.8	Confident	88.9	Confident	128 Å²	128	72 Å²	72	68%	0.684	37%	0.366	S	S	*	.	H	α-helix	trans	-110.7	-0.2	-177.9	-65.3	-37.8	0	0	0	113.2	I45 K46 V50	I45-N48 PolarHBondContact O-N 2.78Å; K46-N48 PolarHBondContact O-N 3.32Å; N48-V50 PolarHBondContact O-N 3.32Å
49	D	88.8	Confident	89.5	Confident	20 Å²	20	73.2 Å²	73.2	11%	0.107	37%	0.37	C	S	.	.			trans	-95.5	82	-174.1	-168.6	21.3	0	0	0	112	I45 K46 D51 G52 S53 L54 V55	I45-D49 HydrophobicContact CG2-CB 4.31Å; I45-D49 WeakPolarHBondContact O-CB 3.31Å; I45-D49 PolarHBondContact O-N 2.87Å; K46-D49 PolarHBondContact O-N 3.28Å; D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.23Å; D49-G52 VanDerWaalsContact CG-CA 3.48Å; D49-G52 PolarHBondContact OD1-N 3.45Å; D49-G52 WeakPolarHBondContact OD2-CA 3.26Å; D49-S53 PolarHBondContact OD1-N 3.37Å; D49-L54 HydrophobicContact CB-CB 4.03Å; D49-L54 HydrophobicContact CB-CD1 4.26Å; D49-L54 HydrophobicContact CB-CG 4.42Å; D49-L54 WeakPolarHBondContact OD1-CB 3.4Å; D49-L54 WeakPolarHBondContact OD1-CG 3.22Å; D49-L54 PolarHBondContact OD1-N 3.26Å; D49-L54 PolarHBondContact OD2-N 3.35Å; D49-V55 HydrophobicContact CB-CG2 4.19Å; D49-V55 VanDerWaalsContact OD2-CB 3.31Å; D49-V55 WeakPolarHBondContact OD2-CB 3.32Å; D49-V55 WeakPolarHBondContact OD2-CG2 3.32Å; D49-V55 PolarHBondContact OD2-N 3.12Å
50	V	87.4	Confident	90.3	Very high	148 Å²	148	66.5 Å²	66.5	90%	0.897	34%	0.338	S	S	*	.	S	Bend	trans	-62.7	-32.5	-175.5	-175.3	0	0	0	0	113	N48	N48-V50 PolarHBondContact O-N 3.32Å
51	D	89.5	Confident	90.8	Very high	70 Å²	70	63.9 Å²	63.9	37%	0.374	33%	0.326	S	S	.	.	S	Bend	trans	-117.2	4.6	-172.7	69.6	21.8	0	0	0	114.6	D49 S53 R290	D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.23Å; D51-S53 VanDerWaalsContact CG-OG 3.3Å; D51-S53 PolarHBondContact O-N 3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.36Å; D51-S53 PolarHBondContact OD1-N 2.98Å; D51-S53 PolarHBondContact OD1-OG 3.24Å; D51-R290 VanDerWaalsContact OD2-CD 3.31Å; D51-R290 WeakPolarHBondContact OD2-CD 3.47Å
52	G	90.7	Very high	91.2	Very high	31 Å²	31	63.3 Å²	63.3	32%	0.32	32%	0.324	S	S	.	.	S	Bend	trans	78.8	-7.1	-179.5	0	0	0	0	0	114.9	D49 L54 A56	D49-G52 VanDerWaalsContact CG-CA 3.48Å; D49-G52 PolarHBondContact OD1-N 3.45Å; D49-G52 WeakPolarHBondContact OD2-CA 3.26Å; G52-L54 VanDerWaalsContact C-N 3.34Å; G52-L54 PolarHBondContact O-N 3.1Å; G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 2.96Å
53	S	93.7	Very high	91.7	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-35.4	-176	-56.2	0	0	0	0	112.5	D49 D51 L57 G288 R290	D49-S53 PolarHBondContact OD1-N 3.37Å; D51-S53 VanDerWaalsContact CG-OG 3.3Å; D51-S53 PolarHBondContact O-N 3Å; D51-S53 WeakPolarHBondContact OD1-CB 3.36Å; D51-S53 PolarHBondContact OD1-N 2.98Å; D51-S53 PolarHBondContact OD1-OG 3.24Å; S53-L57 VanDerWaalsContact O-CB 3.32Å; S53-L57 WeakPolarHBondContact O-CB 3.4Å; S53-L57 VanDerWaalsContact O-CG 3.3Å; S53-L57 WeakPolarHBondContact O-CG 3.45Å; S53-L57 PolarHBondContact O-N 2.83Å; S53-G288 WeakPolarHBondContact CA-O 3.42Å; S53-R290 WeakPolarHBondContact OG-CB 3.49Å; S53-R290 PolarHBondContact OG-N 2.86Å
54	L	93	Very high	92	Very high	66 Å²	66	60.5 Å²	60.5	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-69.9	-43.7	-177.4	-58.4	178.4	0	0	0	110.4	I45 D49 G52 L57 Y58	I45-L54 HydrophobicContact CG2-CB 3.59Å; D49-L54 HydrophobicContact CB-CB 4.03Å; D49-L54 HydrophobicContact CB-CD1 4.26Å; D49-L54 HydrophobicContact CB-CG 4.42Å; D49-L54 WeakPolarHBondContact OD1-CB 3.4Å; D49-L54 WeakPolarHBondContact OD1-CG 3.22Å; D49-L54 PolarHBondContact OD1-N 3.26Å; D49-L54 PolarHBondContact OD2-N 3.35Å; G52-L54 VanDerWaalsContact C-N 3.34Å; G52-L54 PolarHBondContact O-N 3.1Å; L54-L57 PolarHBondContact O-N 3.24Å; L54-Y58 WeakPolarHBondContact O-CB 3.16Å; L54-Y58 PolarHBondContact O-N 3.34Å
55	V	93.8	Very high	92.2	Very high	16 Å²	16	56.2 Å²	56.2	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-44	175.1	171.3	0	0	0	0	110.5	I45 K46 D49 Y58 K59	I45-V55 HydrophobicContact CG2-CG2 3.87Å; K46-V55 HydrophobicContact CG-CG2 3.67Å; D49-V55 HydrophobicContact CB-CG2 4.19Å; D49-V55 VanDerWaalsContact OD2-CB 3.31Å; D49-V55 WeakPolarHBondContact OD2-CB 3.32Å; D49-V55 WeakPolarHBondContact OD2-CG2 3.32Å; D49-V55 PolarHBondContact OD2-N 3.12Å; V55-Y58 PolarHBondContact O-N 3.04Å; V55-K59 HydrophobicContact CG1-CD 4.2Å; V55-K59 VanDerWaalsContact O-CG 3.32Å; V55-K59 WeakPolarHBondContact O-CG 3.27Å; V55-K59 PolarHBondContact O-N 3.43Å
56	A	94.6	Very high	92.4	Very high	11 Å²	11	57.6 Å²	57.6	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-47.8	177.5	0	0	0	0	0	112.4	G52 K59 I60 L287 G288 I289	G52-A56 WeakPolarHBondContact O-CB 3.38Å; G52-A56 PolarHBondContact O-N 2.96Å; A56-K59 PolarHBondContact O-N 3.09Å; A56-I60 PolarHBondContact O-N 3.42Å; A56-L287 VanDerWaalsContact CB-O 3.27Å; A56-L287 WeakPolarHBondContact CB-O 3.37Å; A56-G288 VanDerWaalsContact CB-O 3.26Å; A56-G288 WeakPolarHBondContact CB-O 3.33Å; A56-I289 HydrophobicContact CB-CG1 3.8Å
57	L	95.2	Very high	92.6	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-41.4	176.4	-76.8	169.6	0	0	0	112	S53 L54 K59 I60 H61 I289 K293 H296 L297	S53-L57 VanDerWaalsContact O-CB 3.32Å; S53-L57 WeakPolarHBondContact O-CB 3.4Å; S53-L57 VanDerWaalsContact O-CG 3.3Å; S53-L57 WeakPolarHBondContact O-CG 3.45Å; S53-L57 PolarHBondContact O-N 2.83Å; L54-L57 PolarHBondContact O-N 3.24Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.35Å; L57-I60 PolarHBondContact O-N 3.4Å; L57-I60 VanDerWaalsContact O-N 3.12Å; L57-H61 PolarHBondContact O-CD2 3.05Å; L57-H61 VanDerWaalsContact O-CD2 3.26Å; L57-H61 PolarHBondContact O-N 3.22Å; L57-I289 HydrophobicContact CD2-CD1 3.71Å; L57-I289 HydrophobicContact CG-CD1 3.97Å; L57-I289 HydrophobicContact CG-CG1 4.26Å; L57-K293 HydrophobicContact CD1-CB 3.95Å; L57-H296 HydrophobicContact CD1-CB 3.79Å; L57-H296 HydrophobicContact CD2-CB 3.9Å; L57-H296 HydrophobicContact CG-CB 4.48Å; L57-L297 HydrophobicContact CD2-CD2 4.29Å; L57-L297 HydrophobicContact CD2-CG 4.38Å
58	Y	94.3	Very high	92.6	Very high	50 Å²	50	51.5 Å²	51.5	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-42.6	176.5	-177.9	-90.9	0	0	0	111.6	Q38 T41 I42 I45 L54 V55 I60 H61 S62	Q38-Y58 WeakPolarHBondContact CA-OH 3.49Å; T41-Y58 VanDerWaalsContact CB-OH 3.31Å; T41-Y58 WeakPolarHBondContact CB-OH 3.49Å; T41-Y58 HydrophobicContact CG2-CD2 4.41Å; T41-Y58 HydrophobicContact CG2-CE2 3.52Å; T41-Y58 WeakPolarHBondContact CG2-OH 3.3Å; I42-Y58 HydrophobicContact CD1-CD1 4.1Å; I42-Y58 HydrophobicContact CD1-CE1 3.96Å; I42-Y58 HydrophobicContact CG1-CD1 3.51Å; I42-Y58 HydrophobicContact CG1-CE1 3.43Å; I42-Y58 VanDerWaalsContact CG1-CE1 3.43Å; I45-Y58 HydrophobicContact CD1-CD1 4.23Å; I45-Y58 HydrophobicContact CD1-CD2 3.26Å; I45-Y58 HydrophobicContact CD1-CE2 3.8Å; I45-Y58 HydrophobicContact CD1-CG 3.5Å; I45-Y58 VanDerWaalsContact CD1-CG 3.5Å; L54-Y58 WeakPolarHBondContact O-CB 3.16Å; L54-Y58 PolarHBondContact O-N 3.34Å; V55-Y58 PolarHBondContact O-N 3.04Å; Y58-I60 VanDerWaalsContact C-N 3.26Å; Y58-I60 PolarHBondContact O-N 3.27Å; Y58-H61 PolarHBondContact O-N 3Å; Y58-S62 WeakPolarHBondContact O-CB 3.14Å; Y58-S62 PolarHBondContact O-N 3.39Å; Y58-S62 PolarHBondContact O-OG 3.09Å
59	K	94.3	Very high	92.6	Very high	84 Å²	84	53.3 Å²	53.3	37%	0.365	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-34.3	174.5	-75.5	173.4	-178.9	174.8	0	112.7	V55 A56 L57 S62 L63	V55-K59 HydrophobicContact CG1-CD 4.2Å; V55-K59 VanDerWaalsContact O-CG 3.32Å; V55-K59 WeakPolarHBondContact O-CG 3.27Å; V55-K59 PolarHBondContact O-N 3.43Å; A56-K59 PolarHBondContact O-N 3.09Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.35Å; K59-S62 PolarHBondContact O-OG 3.02Å; K59-S62 VanDerWaalsContact O-OG 3.13Å; K59-L63 WeakPolarHBondContact O-CD1 3.31Å; K59-L63 WeakPolarHBondContact O-CG 3.21Å
60	I	96.4	Very high	92.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-74.1	-49.6	175.3	-65.5	169.5	0	0	0	110.8	A56 L57 Y58 L63 I289 L297 P298 F326 Y329	A56-I60 PolarHBondContact O-N 3.42Å; L57-I60 PolarHBondContact O-N 3.4Å; L57-I60 VanDerWaalsContact O-N 3.12Å; Y58-I60 VanDerWaalsContact C-N 3.26Å; Y58-I60 PolarHBondContact O-N 3.27Å; I60-L63 WeakPolarHBondContact O-CB 3.35Å; I60-L63 PolarHBondContact O-N 3.21Å; I60-I289 HydrophobicContact CD1-CD1 4.21Å; I60-L297 HydrophobicContact CD1-CD2 3.7Å; I60-P298 HydrophobicContact CG2-CG 3.66Å; I60-F326 HydrophobicContact CG2-CB 4.36Å; I60-Y329 HydrophobicContact CG1-CD1 3.91Å; I60-Y329 HydrophobicContact CG1-CE1 3.78Å
61	H	95	Very high	93	Very high	84 Å²	84	49.9 Å²	49.9	39%	0.389	26%	0.264	S	S	.	.	H	α-helix	trans	-70.4	-32.3	-175.6	-80.1	-69.8	0	0	0	113.5	L57 Y58 L63 I64 H296	L57-H61 PolarHBondContact O-CD2 3.05Å; L57-H61 VanDerWaalsContact O-CD2 3.26Å; L57-H61 PolarHBondContact O-N 3.22Å; Y58-H61 PolarHBondContact O-N 3Å; H61-L63 PolarHBondContact O-N 3.13Å; H61-L63 VanDerWaalsContact O-N 3.14Å; H61-I64 WeakPolarHBondContact O-CB 3.48Å; H61-I64 PolarHBondContact O-N 3.1Å; H61-I64 VanDerWaalsContact O-O 3.1Å; H61-H296 PolarHBondContact CE1-O 2.78Å; H61-H296 PolarHBondContact NE2-O 3.25Å
62	S	94	Very high	93.1	Very high	34 Å²	34	53.9 Å²	53.9	24%	0.238	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.5	173.5	56.4	0	0	0	0	113.3	Q38 Y58 K59	Q38-S62 PolarHBondContact NE2-O 3.1Å; Y58-S62 WeakPolarHBondContact O-CB 3.14Å; Y58-S62 PolarHBondContact O-N 3.39Å; Y58-S62 PolarHBondContact O-OG 3.09Å; K59-S62 PolarHBondContact O-OG 3.02Å; K59-S62 VanDerWaalsContact O-OG 3.13Å
63	L	95.3	Very high	93.2	Very high	60 Å²	60	57.7 Å²	57.7	31%	0.314	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3	173.9	-59.9	173	0	0	0	113.3	K59 I60 H61 K325 F326 Y329	K59-L63 WeakPolarHBondContact O-CD1 3.31Å; K59-L63 WeakPolarHBondContact O-CG 3.21Å; I60-L63 WeakPolarHBondContact O-CB 3.35Å; I60-L63 PolarHBondContact O-N 3.21Å; H61-L63 PolarHBondContact O-N 3.13Å; H61-L63 VanDerWaalsContact O-N 3.14Å; L63-K325 HydrophobicContact CB-CB 4.14Å; L63-K325 HydrophobicContact CD2-CB 4.2Å; L63-F326 HydrophobicContact CB-CB 3.77Å; L63-Y329 HydrophobicContact CD1-CD2 4.06Å; L63-Y329 HydrophobicContact CD1-CG 3.84Å
64	I	95.4	Very high	93.2	Very high	20 Å²	20	58.6 Å²	58.6	10%	0.103	29%	0.287	C	S	.	.	S	Bend	trans	-112.6	131.4	177.1	-60.4	177.6	0	0	0	108.4	H61 D66 Y97 P298 F326	H61-I64 WeakPolarHBondContact O-CB 3.48Å; H61-I64 PolarHBondContact O-N 3.1Å; H61-I64 VanDerWaalsContact O-O 3.1Å; I64-D66 PolarHBondContact O-N 3.19Å; I64-Y97 HydrophobicContact CD1-CD1 4.41Å; I64-Y97 HydrophobicContact CG2-CD1 3.68Å; I64-Y97 HydrophobicContact CG2-CG 4.18Å; I64-P298 HydrophobicContact CD1-CB 3.63Å; I64-P298 HydrophobicContact CD1-CG 3.84Å; I64-F326 HydrophobicContact CD1-CB 4.16Å; I64-F326 HydrophobicContact CD1-CD1 4.13Å; I64-F326 HydrophobicContact CD1-CD2 3.9Å; I64-F326 HydrophobicContact CD1-CE2 4.35Å; I64-F326 HydrophobicContact CD1-CG 3.79Å; I64-F326 HydrophobicContact CG1-CB 3.66Å; I64-F326 HydrophobicContact CG1-CD1 3.58Å; I64-F326 HydrophobicContact CG1-CD2 4.18Å; I64-F326 HydrophobicContact CG1-CE1 4.27Å; I64-F326 HydrophobicContact CG1-CG 3.53Å
65	P	93	Very high	93.4	Very high	36 Å²	36	55.5 Å²	55.5	23%	0.234	27%	0.272	C	S	.	.			trans	-65.4	122.8	173.2	27.2	-33.5	0	0	0	110.5	L67 M70 L78 P96	P65-L67 HydrophobicContact CB-CD2 4.03Å; P65-L67 HydrophobicContact CG-CD2 4.31Å; P65-L67 PolarHBondContact O-N 3.44Å; P65-M70 HydrophobicContact CB-CE 3.75Å; P65-M70 HydrophobicContact CB-SD 4.28Å; P65-L78 HydrophobicContact CB-CD2 3.69Å; P65-L78 HydrophobicContact CG-CD2 3.96Å; P65-P96 HydrophobicContact CG-CB 4.07Å
66	D	91.5	Very high	93.5	Very high	67 Å²	67	54.8 Å²	54.8	36%	0.358	27%	0.267	S	S	.	.			trans	-80	82.8	176.2	-170.8	-11.3	0	0	0	110.6	I64 I68 K69 M70	I64-D66 PolarHBondContact O-N 3.19Å; D66-I68 PolarHBondContact O-N 2.94Å; D66-I68 VanDerWaalsContact O-N 3.09Å; D66-I68 WeakPolarHBondContact OD1-CB 3.36Å; D66-I68 PolarHBondContact OD1-N 3.5Å; D66-K69 PolarHBondContact O-N 3.18Å; D66-K69 VanDerWaalsContact O-N 3.1Å; D66-K69 PolarHBondContact OD1-N 3.42Å; D66-K69 WeakPolarHBondContact OD2-CD 3.41Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 WeakPolarHBondContact OD2-CG 3.49Å; D66-K69 IonicContact OD2-NZ 3.4Å; D66-M70 WeakPolarHBondContact O-CG 3.31Å; D66-M70 PolarHBondContact O-N 3.36Å
67	L	92.8	Very high	93.6	Very high	16 Å²	16	57 Å²	57	8%	0.084	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.1	-177.5	-53.6	-174.5	0	0	0	114	P65 M70 I75 L78 L99 I109	P65-L67 HydrophobicContact CB-CD2 4.03Å; P65-L67 HydrophobicContact CG-CD2 4.31Å; P65-L67 PolarHBondContact O-N 3.44Å; L67-M70 HydrophobicContact CD2-SD 4.02Å; L67-I75 HydrophobicContact CB-CD1 4.36Å; L67-I75 HydrophobicContact CD2-CG1 4.24Å; L67-I75 HydrophobicContact CD2-CG2 4.28Å; L67-I75 WeakPolarHBondContact O-CD1 3.37Å; L67-L78 HydrophobicContact CD2-CD2 3.56Å; L67-L99 HydrophobicContact CD1-CB 3.74Å; L67-L99 HydrophobicContact CD1-CD1 4.46Å; L67-I109 HydrophobicContact CB-CG2 3.99Å; L67-I109 HydrophobicContact CD1-CG2 4.17Å
68	I	88.6	Confident	93.7	Very high	127 Å²	127	57.9 Å²	57.9	65%	0.651	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-35.4	176.5	-62.1	173.3	0	0	0	109.9	D66	D66-I68 PolarHBondContact O-N 2.94Å; D66-I68 VanDerWaalsContact O-N 3.09Å; D66-I68 WeakPolarHBondContact OD1-CB 3.36Å; D66-I68 PolarHBondContact OD1-N 3.5Å
69	K	88.4	Confident	93.8	Very high	166 Å²	166	55.5 Å²	55.5	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.7	-179.3	-63.9	-175.5	-170.7	172.8	0	113.9	D66	D66-K69 PolarHBondContact O-N 3.18Å; D66-K69 VanDerWaalsContact O-N 3.1Å; D66-K69 PolarHBondContact OD1-N 3.42Å; D66-K69 WeakPolarHBondContact OD2-CD 3.41Å; D66-K69 WeakPolarHBondContact OD2-CE 3.35Å; D66-K69 WeakPolarHBondContact OD2-CG 3.49Å; D66-K69 IonicContact OD2-NZ 3.4Å
70	M	91	Very high	94	Very high	17 Å²	17	52.1 Å²	52.1	8%	0.084	26%	0.259	C	S	.	.	S	Bend	trans	-80.7	134.5	-180	-72.2	177.5	178.3	0	0	111.5	P65 D66 L67 E74 I75 L78	P65-M70 HydrophobicContact CB-CE 3.75Å; P65-M70 HydrophobicContact CB-SD 4.28Å; D66-M70 WeakPolarHBondContact O-CG 3.31Å; D66-M70 PolarHBondContact O-N 3.36Å; L67-M70 HydrophobicContact CD2-SD 4.02Å; M70-E74 HydrophobicContact CB-CB 4.37Å; M70-E74 HydrophobicContact CB-CG 4.41Å; M70-E74 HydrophobicContact CG-CG 4.32Å; M70-E74 HydrophobicContact SD-CG 4.42Å; M70-I75 HydrophobicContact CB-CD1 3.9Å; M70-I75 HydrophobicContact CB-CG1 3.61Å; M70-I75 WeakPolarHBondContact O-CD1 3.37Å; M70-I75 HydrophobicContact SD-CG1 4.39Å; M70-L78 HydrophobicContact SD-CD2 4.28Å
71	P	92.3	Very high	94	Very high	78 Å²	78	56.1 Å²	56.1	51%	0.506	28%	0.28	S	S	.	.			trans	-59	152.8	167	-22.3	34.3	0	0	0	111.6	E73 E74 I75	P71-E73 VanDerWaalsContact C-N 3.27Å; P71-E73 PolarHBondContact O-N 3.48Å; P71-E74 VanDerWaalsContact CD-OE2 3.23Å; P71-E74 WeakPolarHBondContact CD-OE2 3.3Å; P71-E74 VanDerWaalsContact O-CB 3.29Å; P71-E74 WeakPolarHBondContact O-CB 3.21Å; P71-E74 PolarHBondContact O-N 3.06Å; P71-I75 PolarHBondContact O-N 3.22Å
72	R	92.2	Very high	94.1	Very high	155 Å²	155	53.1 Å²	53.1	59%	0.585	27%	0.268	S	S	*	.	H	α-helix	trans	-54.1	-43.3	-178.2	-174.2	-178.5	-65.9	-141.4	6.1	112.9	E74 I75 V76 I109 S113 I114	R72-E74 VanDerWaalsContact C-N 3.3Å; R72-E74 PolarHBondContact O-N 2.73Å; R72-I75 PolarHBondContact O-N 2.63Å; R72-I75 VanDerWaalsContact O-N 3.14Å; R72-V76 WeakPolarHBondContact O-CG2 3.43Å; R72-V76 PolarHBondContact O-N 3.18Å; R72-I109 HydrophobicContact CG-CD1 4.49Å; R72-S113 PolarHBondContact NH1-O 3.16Å; R72-S113 VanDerWaalsContact NH1-O 3.08Å; R72-I114 HydrophobicContact CG-CG2 3.8Å
73	E	93	Very high	94.3	Very high	111 Å²	111	53.2 Å²	53.2	52%	0.519	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-36	-179.4	-167.5	58.2	-149	0	0	112.4	P71 I75 V76 H77	P71-E73 VanDerWaalsContact C-N 3.27Å; P71-E73 PolarHBondContact O-N 3.48Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 2.71Å; E73-V76 PolarHBondContact O-N 3.1Å; E73-H77 PolarHBondContact O-N 3.5Å; E73-H77 VanDerWaalsContact O-N 3.16Å; E73-H77 PolarHBondContact O-ND1 3.09Å; E73-H77 IonicContact OE1-CE1 2.67Å; E73-H77 PolarHBondContact OE1-CE1 3.24Å; E73-H77 IonicContact OE1-ND1 3.2Å
74	E	94.2	Very high	94.5	Very high	19 Å²	19	53 Å²	53	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-39.1	174.8	-172.3	179.4	164.4	0	0	110.9	F27 Q31 R34 M70 P71 R72 H77 L78	F27-E74 HydrophobicContact CD2-CG 3.56Å; F27-E74 HydrophobicContact CE2-CG 3.47Å; F27-E74 VanDerWaalsContact CE2-CG 3.47Å; F27-E74 WeakPolarHBondContact CE2-O 3.35Å; Q31-E74 PolarHBondContact NE2-OE1 3.11Å; R34-E74 IonicContact CZ-OE1 3.53Å; R34-E74 IonicContact CZ-OE2 2.8Å; R34-E74 IonicContact NH1-OE1 3.68Å; R34-E74 PolarHBondContact NH1-OE1 3.1Å; R34-E74 IonicContact NH1-OE2 3.12Å; R34-E74 PolarHBondContact NH1-OE2 3.44Å; R34-E74 IonicContact NH2-OE1 3.1Å; R34-E74 PolarHBondContact NH2-OE1 2.74Å; R34-E74 IonicContact NH2-OE2 3.71Å; R34-E74 PolarHBondContact NH2-OE2 3.43Å; M70-E74 HydrophobicContact CB-CB 4.37Å; M70-E74 HydrophobicContact CB-CG 4.41Å; M70-E74 HydrophobicContact CG-CG 4.32Å; M70-E74 HydrophobicContact SD-CG 4.42Å; P71-E74 VanDerWaalsContact CD-OE2 3.23Å; P71-E74 WeakPolarHBondContact CD-OE2 3.3Å; P71-E74 VanDerWaalsContact O-CB 3.29Å; P71-E74 WeakPolarHBondContact O-CB 3.21Å; P71-E74 PolarHBondContact O-N 3.06Å; R72-E74 VanDerWaalsContact C-N 3.3Å; R72-E74 PolarHBondContact O-N 2.73Å; E74-H77 PolarHBondContact O-N 3.37Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 PolarHBondContact O-N 3.16Å
75	I	95.5	Very high	94.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-35.4	179.5	-57.8	165.9	0	0	0	111.1	L67 M70 P71 R72 E73 H77 L78 C79 I109 I114	L67-I75 HydrophobicContact CB-CD1 4.36Å; L67-I75 HydrophobicContact CD2-CG1 4.24Å; L67-I75 HydrophobicContact CD2-CG2 4.28Å; L67-I75 WeakPolarHBondContact O-CD1 3.37Å; M70-I75 HydrophobicContact CB-CD1 3.9Å; M70-I75 HydrophobicContact CB-CG1 3.61Å; M70-I75 WeakPolarHBondContact O-CD1 3.37Å; M70-I75 HydrophobicContact SD-CG1 4.39Å; P71-I75 PolarHBondContact O-N 3.22Å; R72-I75 PolarHBondContact O-N 2.63Å; R72-I75 VanDerWaalsContact O-N 3.14Å; E73-I75 VanDerWaalsContact C-N 3.3Å; E73-I75 PolarHBondContact O-N 2.71Å; I75-H77 VanDerWaalsContact C-N 3.35Å; I75-L78 PolarHBondContact O-N 3.27Å; I75-C79 PolarHBondContact O-N 2.93Å; I75-C79 PolarHBondContact O-SG 3.14Å; I75-I109 HydrophobicContact CB-CD1 4.17Å; I75-I109 HydrophobicContact CD1-CD1 3.39Å; I75-I109 HydrophobicContact CD1-CG2 4.19Å; I75-I109 HydrophobicContact CG1-CD1 4.36Å; I75-I109 HydrophobicContact CG2-CD1 4.05Å; I75-I114 HydrophobicContact CG2-CD1 4.12Å
76	V	96.9	Very high	94.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-48.5	172	174	0	0	0	0	110.3	R72 E73 C79 A80 I114 A117 L118 L121	R72-V76 WeakPolarHBondContact O-CG2 3.43Å; R72-V76 PolarHBondContact O-N 3.18Å; E73-V76 PolarHBondContact O-N 3.1Å; V76-C79 PolarHBondContact O-N 2.76Å; V76-A80 PolarHBondContact O-N 3.12Å; V76-I114 HydrophobicContact CG2-CB 3.92Å; V76-I114 HydrophobicContact CG2-CG2 4.17Å; V76-A117 HydrophobicContact CG1-CB 4.08Å; V76-A117 HydrophobicContact CG2-CB 3.72Å; V76-L118 HydrophobicContact CG1-CD1 4.36Å; V76-L121 HydrophobicContact CG1-CD1 4.36Å
77	H	96.8	Very high	95.1	Very high	56 Å²	56	57.9 Å²	57.9	26%	0.259	29%	0.286	S	S	.	.	H	α-helix	trans	-65.8	-40.7	178.2	-74.9	84.9	0	0	0	112.5	F27 E73 E74 I75 C79 A80 D81	F27-H77 HydrophobicContact CB-CB 4.16Å; F27-H77 HydrophobicContact CD1-CB 4.29Å; F27-H77 HydrophobicContact CD2-CB 3.98Å; F27-H77 HydrophobicContact CG-CB 3.88Å; E73-H77 PolarHBondContact O-N 3.5Å; E73-H77 VanDerWaalsContact O-N 3.16Å; E73-H77 PolarHBondContact O-ND1 3.09Å; E73-H77 IonicContact OE1-CE1 2.67Å; E73-H77 PolarHBondContact OE1-CE1 3.24Å; E73-H77 IonicContact OE1-ND1 3.2Å; E74-H77 PolarHBondContact O-N 3.37Å; I75-H77 VanDerWaalsContact C-N 3.35Å; H77-C79 VanDerWaalsContact C-N 3.28Å; H77-C79 PolarHBondContact O-N 2.96Å; H77-A80 PolarHBondContact O-N 2.84Å; H77-D81 WeakPolarHBondContact O-CB 3.48Å; H77-D81 PolarHBondContact O-N 3.32Å
78	L	96.2	Very high	95.3	Very high	31 Å²	31	59.4 Å²	59.4	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-42.4	172.5	176.6	69.2	0	0	0	111.6	F27 P65 L67 M70 E74 I75 S82 P96	F27-L78 HydrophobicContact CE2-CB 4.24Å; F27-L78 HydrophobicContact CZ-CB 3.95Å; F27-L78 HydrophobicContact CZ-CD1 4.15Å; P65-L78 HydrophobicContact CB-CD2 3.69Å; P65-L78 HydrophobicContact CG-CD2 3.96Å; L67-L78 HydrophobicContact CD2-CD2 3.56Å; M70-L78 HydrophobicContact SD-CD2 4.28Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 PolarHBondContact O-N 3.16Å; I75-L78 PolarHBondContact O-N 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.45Å; L78-S82 PolarHBondContact O-N 3.49Å; L78-P96 HydrophobicContact CD2-CB 4.28Å; L78-P96 HydrophobicContact CD2-CG 4.23Å
79	C	97.5	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-41.6	176.1	-75.7	0	0	0	0	112	I75 V76 H77 S82 V83 L99 I114 L118	I75-C79 PolarHBondContact O-N 2.93Å; I75-C79 PolarHBondContact O-SG 3.14Å; V76-C79 PolarHBondContact O-N 2.76Å; H77-C79 VanDerWaalsContact C-N 3.28Å; H77-C79 PolarHBondContact O-N 2.96Å; C79-S82 WeakPolarHBondContact CA-OG 3.44Å; C79-S82 WeakPolarHBondContact O-CB 3.4Å; C79-S82 PolarHBondContact O-N 3.42Å; C79-S82 VanDerWaalsContact O-N 3.07Å; C79-S82 PolarHBondContact O-OG 3.16Å; C79-V83 PolarHBondContact O-N 3.23Å; C79-L99 VanDerWaalsContact SG-CD2 3.52Å; C79-I114 HydrophobicContact CB-CD1 4.36Å; C79-L118 HydrophobicContact CB-CD1 3.95Å; C79-L118 HydrophobicContact CB-CD2 4.15Å
80	A	97.7	Very high	96.1	Very high	13 Å²	13	49 Å²	49	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-45	175.8	0	0	0	0	0	112	V76 H77 S82 V83 L118 L121 L122	V76-A80 PolarHBondContact O-N 3.12Å; H77-A80 PolarHBondContact O-N 2.84Å; A80-S82 PolarHBondContact O-N 2.94Å; A80-V83 WeakPolarHBondContact O-CB 3.27Å; A80-V83 VanDerWaalsContact O-CG2 3.22Å; A80-V83 WeakPolarHBondContact O-CG2 3.4Å; A80-V83 PolarHBondContact O-N 2.86Å; A80-L118 HydrophobicContact CB-CD1 4.07Å; A80-L121 HydrophobicContact CB-CD1 4Å; A80-L121 HydrophobicContact CB-CD2 3.53Å; A80-L121 HydrophobicContact CB-CG 4.4Å; A80-L122 HydrophobicContact CB-CD2 4.05Å
81	D	96.7	Very high	96.5	Very high	86 Å²	86	48.2 Å²	48.2	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-66.3	-16.1	175.3	-79	-5.8	0	0	0	112.8	F27 H77	F27-D81 WeakPolarHBondContact CD1-OD2 3.35Å; F27-D81 VanDerWaalsContact CE1-OD2 3.26Å; F27-D81 WeakPolarHBondContact CE1-OD2 3.46Å; H77-D81 WeakPolarHBondContact O-CB 3.48Å; H77-D81 PolarHBondContact O-N 3.32Å
82	S	97.4	Very high	96.8	Very high	20 Å²	20	44.5 Å²	44.5	14%	0.14	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.4	177.1	79.4	0	0	0	0	114.3	L78 C79 A80 V84 N94	L78-S82 WeakPolarHBondContact O-CB 3.45Å; L78-S82 PolarHBondContact O-N 3.49Å; C79-S82 WeakPolarHBondContact CA-OG 3.44Å; C79-S82 WeakPolarHBondContact O-CB 3.4Å; C79-S82 PolarHBondContact O-N 3.42Å; C79-S82 VanDerWaalsContact O-N 3.07Å; C79-S82 PolarHBondContact O-OG 3.16Å; A80-S82 PolarHBondContact O-N 2.94Å; S82-V84 PolarHBondContact O-N 2.82Å; S82-N94 WeakPolarHBondContact CB-O 3.47Å; S82-N94 PolarHBondContact O-N 2.77Å
83	V	98.4	Very high	97.1	Very high	37 Å²	37	37.1 Å²	37.1	22%	0.224	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.8	177.3	173.5	0	0	0	0	109.5	C79 A80 Y85 N86 V91 V92 L93 L122	C79-V83 PolarHBondContact O-N 3.23Å; A80-V83 WeakPolarHBondContact O-CB 3.27Å; A80-V83 VanDerWaalsContact O-CG2 3.22Å; A80-V83 WeakPolarHBondContact O-CG2 3.4Å; A80-V83 PolarHBondContact O-N 2.86Å; V83-Y85 WeakPolarHBondContact CG1-O 3.22Å; V83-N86 HydrophobicContact CG1-CB 3.89Å; V83-V91 HydrophobicContact CG1-CG1 4.4Å; V83-V91 HydrophobicContact CG2-CG1 4.17Å; V83-V92 WeakPolarHBondContact CA-O 3.47Å; V83-L93 HydrophobicContact CB-CD2 4.42Å; V83-L93 HydrophobicContact CG2-CD2 3.45Å; V83-L93 VanDerWaalsContact CG2-CD2 3.45Å; V83-L122 HydrophobicContact CG2-CD1 3.45Å; V83-L122 VanDerWaalsContact CG2-CD1 3.45Å; V83-L122 HydrophobicContact CG2-CD2 3.79Å; V83-L122 HydrophobicContact CG2-CG 4.29Å
84	V	98.2	Very high	97.4	Very high	56 Å²	56	33.3 Å²	33.3	34%	0.339	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-13	176.6	-69	0	0	0	0	112.7	S82 V92 N94 L142 L319	S82-V84 PolarHBondContact O-N 2.82Å; V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.06Å; V84-V92 VanDerWaalsContact CG2-O 3.24Å; V84-V92 WeakPolarHBondContact CG2-O 3.12Å; V84-V92 PolarHBondContact N-O 3.37Å; V84-N94 HydrophobicContact CG1-CB 4.04Å; V84-L142 HydrophobicContact CG2-CD2 3.64Å; V84-L319 HydrophobicContact CG2-CD2 3.76Å; V84-L319 HydrophobicContact CG2-CG 4.31Å
85	Y	98.4	Very high	97.6	Very high	38 Å²	38	32.4 Å²	32.4	15%	0.149	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	136.4	176.7	-174.9	-93.5	0	0	0	109.6	V83 E87 D88 L90 V91 V92 I312 F317	V83-Y85 WeakPolarHBondContact CG1-O 3.22Å; Y85-E87 HydrophobicContact CE1-CB 4Å; Y85-E87 WeakPolarHBondContact CE1-O 3.39Å; Y85-E87 HydrophobicContact CE2-CB 4.19Å; Y85-E87 WeakPolarHBondContact OH-CB 3.48Å; Y85-D88 PolarHBondContact OH-OD2 3.34Å; Y85-L90 HydrophobicContact CD1-CB 4.28Å; Y85-L90 HydrophobicContact CD1-CD2 4.01Å; Y85-L90 HydrophobicContact CD1-CG 3.92Å; Y85-L90 WeakPolarHBondContact CD1-O 3.29Å; Y85-L90 HydrophobicContact CE1-CB 3.97Å; Y85-L90 HydrophobicContact CE1-CD2 3.87Å; Y85-L90 HydrophobicContact CE1-CG 3.99Å; Y85-V91 CarbonylContact O-C 3.49Å; Y85-V91 WeakPolarHBondContact O-CA 3.46Å; Y85-V92 HydrophobicContact CD1-CG2 4.25Å; Y85-V92 PolarHBondContact O-N 3.13Å; Y85-I312 HydrophobicContact CE1-CD1 4.3Å; Y85-I312 WeakPolarHBondContact OH-CD1 3.48Å; Y85-F317 HydrophobicContact CD1-CE2 4.3Å; Y85-F317 HydrophobicContact CD1-CZ 4.26Å; Y85-F317 HydrophobicContact CD2-CE2 4.13Å; Y85-F317 HydrophobicContact CD2-CZ 4.44Å; Y85-F317 HydrophobicContact CE1-CE2 4.02Å; Y85-F317 HydrophobicContact CE1-CZ 4.38Å; Y85-F317 AromaticContact CE2-CE2 3.87Å; Y85-F317 HydrophobicContact CE2-CE2 3.87Å; Y85-F317 HydrophobicContact CG-CE2 4.34Å; Y85-F317 HydrophobicContact CG-CZ 4.27Å; Y85-F317 AromaticContact CZ-CE2 3.79Å
86	N	98	Very high	97.7	Very high	63 Å²	63	33 Å²	33	34%	0.337	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	69.4	179.3	-176.8	16.2	0	0	0	110.9	V83 L90 V91 L122 V123	V83-N86 HydrophobicContact CG1-CB 3.89Å; N86-L90 WeakPolarHBondContact CA-O 3.48Å; N86-V91 WeakPolarHBondContact OD1-CG2 3.44Å; N86-L122 PolarHBondContact ND2-O 2.77Å; N86-L122 VanDerWaalsContact ND2-O 3.07Å; N86-V123 WeakPolarHBondContact OD1-CG1 3.25Å
87	E	97.2	Very high	97.7	Very high	123 Å²	123	34.8 Å²	34.8	58%	0.575	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.4	-178.4	-64.1	176.3	-152.4	0	0	110.2	Y85 D89 L90	Y85-E87 HydrophobicContact CE1-CB 4Å; Y85-E87 WeakPolarHBondContact CE1-O 3.39Å; Y85-E87 HydrophobicContact CE2-CB 4.19Å; Y85-E87 WeakPolarHBondContact OH-CB 3.48Å; E87-D89 VanDerWaalsContact C-N 3.32Å; E87-D89 PolarHBondContact O-N 3.29Å; E87-D89 VanDerWaalsContact O-N 3.17Å; E87-L90 PolarHBondContact N-O 2.92Å; E87-L90 VanDerWaalsContact N-O 3.11Å; E87-L90 WeakPolarHBondContact O-CA 3.47Å; E87-L90 WeakPolarHBondContact O-CB 3.5Å; E87-L90 PolarHBondContact O-N 3.11Å; E87-L90 VanDerWaalsContact O-O 3.1Å
88	D	96	Very high	97.6	Very high	49 Å²	49	33 Å²	33	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	46.5	176.4	-54	-71.9	0	0	0	114.5	Y85 L90 R151 I312 R313	Y85-D88 PolarHBondContact OH-OD2 3.34Å; D88-L90 PolarHBondContact O-N 2.88Å; D88-R151 VanDerWaalsContact CB-NH2 3.29Å; D88-R151 VanDerWaalsContact O-CZ 3.25Å; D88-R151 PolarHBondContact O-NE 2.83Å; D88-R151 PolarHBondContact O-NH2 3.34Å; D88-I312 HydrophobicContact CB-CD1 4.35Å; D88-I312 HydrophobicContact CB-CG2 4.34Å; D88-I312 WeakPolarHBondContact OD2-CG2 3.48Å; D88-R313 IonicContact OD1-CZ 3.71Å; D88-R313 IonicContact OD1-NE 2.68Å; D88-R313 IonicContact OD1-NH2 3.47Å; D88-R313 PolarHBondContact OD1-NH2 3.35Å
89	D	97.2	Very high	97.6	Very high	73 Å²	73	31.5 Å²	31.5	39%	0.39	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	16.9	-175.3	-66.5	-31	0	0	0	115.6	E87 A147 S148 R151	E87-D89 VanDerWaalsContact C-N 3.32Å; E87-D89 PolarHBondContact O-N 3.29Å; E87-D89 VanDerWaalsContact O-N 3.17Å; D89-A147 HydrophobicContact CB-CB 4.42Å; D89-A147 PolarHBondContact O-N 2.94Å; D89-S148 VanDerWaalsContact CB-OG 3.31Å; D89-S148 WeakPolarHBondContact CB-OG 3.33Å; D89-S148 VanDerWaalsContact CG-OG 3.28Å; D89-S148 WeakPolarHBondContact OD2-CB 3.35Å; D89-S148 PolarHBondContact OD2-OG 2.97Å; D89-R151 HydrophobicContact CB-CB 3.9Å; D89-R151 HydrophobicContact CB-CG 4.31Å; D89-R151 WeakPolarHBondContact O-CG 3.5Å
90	L	98.3	Very high	97.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.9	178.6	172.8	64.8	0	0	0	110.4	Y85 N86 E87 D88 V92 M144 R151 L155 F311 F317	Y85-L90 HydrophobicContact CD1-CB 4.28Å; Y85-L90 HydrophobicContact CD1-CD2 4.01Å; Y85-L90 HydrophobicContact CD1-CG 3.92Å; Y85-L90 WeakPolarHBondContact CD1-O 3.29Å; Y85-L90 HydrophobicContact CE1-CB 3.97Å; Y85-L90 HydrophobicContact CE1-CD2 3.87Å; Y85-L90 HydrophobicContact CE1-CG 3.99Å; N86-L90 WeakPolarHBondContact CA-O 3.48Å; E87-L90 PolarHBondContact N-O 2.92Å; E87-L90 VanDerWaalsContact N-O 3.11Å; E87-L90 WeakPolarHBondContact O-CA 3.47Å; E87-L90 WeakPolarHBondContact O-CB 3.5Å; E87-L90 PolarHBondContact O-N 3.11Å; E87-L90 VanDerWaalsContact O-O 3.1Å; D88-L90 PolarHBondContact O-N 2.88Å; L90-V92 HydrophobicContact CD1-CG2 3.94Å; L90-V92 HydrophobicContact CD2-CG2 4.07Å; L90-V92 HydrophobicContact CG-CG2 3.83Å; L90-M144 HydrophobicContact CD1-CB 3.93Å; L90-M144 HydrophobicContact CD1-CG 4.27Å; L90-M144 HydrophobicContact CD1-SD 4.44Å; L90-R151 HydrophobicContact CB-CG 4.43Å; L90-L155 HydrophobicContact CD1-CD1 3.99Å; L90-F311 HydrophobicContact CD2-CE1 3.79Å; L90-F311 HydrophobicContact CD2-CZ 4.25Å; L90-F317 HydrophobicContact CD2-CE1 4.25Å; L90-F317 HydrophobicContact CD2-CE2 4.22Å; L90-F317 HydrophobicContact CD2-CZ 3.82Å
91	V	98.6	Very high	97.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.9	169.7	179.2	0	0	0	0	108.2	V83 Y85 N86 L93 L122 V123 L129 L145	V83-V91 HydrophobicContact CG1-CG1 4.4Å; V83-V91 HydrophobicContact CG2-CG1 4.17Å; Y85-V91 CarbonylContact O-C 3.49Å; Y85-V91 WeakPolarHBondContact O-CA 3.46Å; N86-V91 WeakPolarHBondContact OD1-CG2 3.44Å; V91-L93 HydrophobicContact CG1-CD2 4.24Å; V91-L122 HydrophobicContact CG1-CD1 3.83Å; V91-V123 HydrophobicContact CG2-CG1 3.93Å; V91-L129 HydrophobicContact CB-CD1 4.1Å; V91-L129 HydrophobicContact CG2-CD1 3.86Å; V91-L145 HydrophobicContact CB-CB 4.24Å; V91-L145 HydrophobicContact CG1-CD1 4.43Å; V91-L145 PolarHBondContact N-O 3.05Å; V91-L145 PolarHBondContact O-N 3.12Å
92	V	98.7	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.6	174	-166.9	0	0	0	0	110.5	V83 V84 Y85 L90 L142 L143 M144 L319	V83-V92 WeakPolarHBondContact CA-O 3.47Å; V84-V92 HydrophobicContact CG2-CB 4.04Å; V84-V92 HydrophobicContact CG2-CG1 4.06Å; V84-V92 VanDerWaalsContact CG2-O 3.24Å; V84-V92 WeakPolarHBondContact CG2-O 3.12Å; V84-V92 PolarHBondContact N-O 3.37Å; Y85-V92 HydrophobicContact CD1-CG2 4.25Å; Y85-V92 PolarHBondContact O-N 3.13Å; L90-V92 HydrophobicContact CD1-CG2 3.94Å; L90-V92 HydrophobicContact CD2-CG2 4.07Å; L90-V92 HydrophobicContact CG-CG2 3.83Å; V92-L142 HydrophobicContact CG1-CB 4.16Å; V92-L142 HydrophobicContact CG1-CD2 3.82Å; V92-L143 WeakPolarHBondContact CA-O 3.47Å; V92-M144 HydrophobicContact CG1-CG 4.19Å; V92-M144 HydrophobicContact CG2-CG 3.94Å; V92-L319 HydrophobicContact CB-CD2 3.57Å; V92-L319 HydrophobicContact CG1-CD2 3.59Å; V92-L319 HydrophobicContact CG2-CD2 3.76Å
93	L	98.5	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.8	176.9	-57.9	-177.9	0	0	0	110.5	V83 V91 K95 L111 L118 G141 L142 L143 L145	V83-L93 HydrophobicContact CB-CD2 4.42Å; V83-L93 HydrophobicContact CG2-CD2 3.45Å; V83-L93 VanDerWaalsContact CG2-CD2 3.45Å; V91-L93 HydrophobicContact CG1-CD2 4.24Å; L93-K95 PolarHBondContact O-N 2.99Å; L93-K95 VanDerWaalsContact O-N 3.14Å; L93-L111 HydrophobicContact CD1-CD1 4.06Å; L93-L111 HydrophobicContact CD1-CD2 4.41Å; L93-L118 HydrophobicContact CD1-CD2 4.19Å; L93-G141 VanDerWaalsContact O-O 3.07Å; L93-L142 CarbonylContact O-C 3.59Å; L93-L142 VanDerWaalsContact O-CA 3.28Å; L93-L142 WeakPolarHBondContact O-CA 3.34Å; L93-L143 PolarHBondContact N-O 2.98Å; L93-L143 PolarHBondContact O-N 3.18Å; L93-L145 HydrophobicContact CD1-CD1 3.84Å; L93-L145 HydrophobicContact CG-CD1 4.07Å
94	N	98.6	Very high	95.1	Very high	31 Å²	31	36.4 Å²	36.4	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	79.6	153.5	-173	-2.6	0	0	0	108.5	S82 V84 G141 A321 N322	S82-N94 WeakPolarHBondContact CB-O 3.47Å; S82-N94 PolarHBondContact O-N 2.77Å; V84-N94 HydrophobicContact CG1-CB 4.04Å; N94-G141 CarbonylContact C-O 3.57Å; N94-G141 VanDerWaalsContact OD1-CA 3.23Å; N94-G141 WeakPolarHBondContact OD1-CA 3.47Å; N94-G141 PolarHBondContact OD1-N 3.44Å; N94-A321 HydrophobicContact CB-CB 4.41Å; N94-N322 PolarHBondContact ND2-O 3.38Å
95	K	98.3	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	124.8	-170.1	-167.8	-168.5	71	64.6	0	110.7	L93 L99 V101 L135 D136 R137 T139 T140 G141 L143	L93-K95 PolarHBondContact O-N 2.99Å; L93-K95 VanDerWaalsContact O-N 3.14Å; K95-L99 HydrophobicContact CG-CB 4.37Å; K95-L99 HydrophobicContact CG-CD2 4.14Å; K95-L99 PolarHBondContact NZ-O 3.12Å; K95-V101 HydrophobicContact CD-CG2 3.97Å; K95-L135 HydrophobicContact CB-CD1 4.3Å; K95-L135 HydrophobicContact CD-CB 4.26Å; K95-L135 HydrophobicContact CD-CD1 4.48Å; K95-D136 PolarHBondContact NZ-O 3.26Å; K95-R137 PolarHBondContact NZ-O 3.39Å; K95-R137 VanDerWaalsContact NZ-O 3.13Å; K95-T139 WeakPolarHBondContact CE-O 3.46Å; K95-T139 PolarHBondContact NZ-O 3.08Å; K95-T140 VanDerWaalsContact O-CA 3.27Å; K95-T140 WeakPolarHBondContact O-CA 3.44Å; K95-G141 WeakPolarHBondContact CB-O 3.22Å; K95-G141 PolarHBondContact N-O 2.93Å; K95-G141 PolarHBondContact O-N 2.88Å; K95-L143 HydrophobicContact CB-CB 4.26Å; K95-L143 HydrophobicContact CD-CD2 4.09Å; K95-L143 HydrophobicContact CG-CD2 4.43Å
96	P	97.5	Very high	92.5	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.8	160.4	177.9	27	-34.1	0	0	0	111.8	P65 L78 L99	P65-P96 HydrophobicContact CG-CB 4.07Å; L78-P96 HydrophobicContact CD2-CB 4.28Å; L78-P96 HydrophobicContact CD2-CG 4.23Å; P96-L99 HydrophobicContact CG-CB 4.24Å; P96-L99 HydrophobicContact CG-CD2 4.17Å
97	Y	97.2	Very high	91.3	Very high	40 Å²	40	45 Å²	45	16%	0.157	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	141.8	175	-173.2	-87.6	0	0	0	110	I64 L99 C138 T140 P298 M299 F326	I64-Y97 HydrophobicContact CD1-CD1 4.41Å; I64-Y97 HydrophobicContact CG2-CD1 3.68Å; I64-Y97 HydrophobicContact CG2-CG 4.18Å; Y97-L99 VanDerWaalsContact C-N 3.31Å; Y97-L99 PolarHBondContact O-N 2.91Å; Y97-C138 HydrophobicContact CD2-CB 4.29Å; Y97-C138 WeakPolarHBondContact CD2-O 3.48Å; Y97-C138 HydrophobicContact CE1-CB 4.49Å; Y97-C138 HydrophobicContact CE2-CB 3.52Å; Y97-C138 WeakPolarHBondContact CE2-O 3.14Å; Y97-C138 PolarHBondContact OH-SG 3.14Å; Y97-T140 HydrophobicContact CD2-CG2 4.09Å; Y97-T140 HydrophobicContact CG-CG2 4.39Å; Y97-P298 HydrophobicContact CE1-CB 4.38Å; Y97-P298 HydrophobicContact CE2-CB 4.1Å; Y97-M299 HydrophobicContact CE2-CB 4.43Å; Y97-M299 WeakPolarHBondContact CE2-O 3.39Å; Y97-M299 PolarHBondContact OH-N 3.42Å; Y97-M299 VanDerWaalsContact OH-N 3.16Å; Y97-F326 HydrophobicContact CD2-CE1 4.31Å; Y97-F326 AromaticContact CD2-CZ 3.82Å; Y97-F326 HydrophobicContact CD2-CZ 3.82Å; Y97-F326 HydrophobicContact CE2-CZ 4.38Å; Y97-F326 HydrophobicContact CG-CE1 4.48Å; Y97-F326 HydrophobicContact CG-CZ 4.39Å
98	G	95.2	Very high	90.6	Very high	17 Å²	17	41.5 Å²	41.5	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-16.1	176.6	0	0	0	0	0	114.8	S100 R137	G98-S100 PolarHBondContact O-N 3.25Å; G98-R137 VanDerWaalsContact C-CG 3.47Å; G98-R137 CarbonylContact C-O 3.55Å; G98-R137 WeakPolarHBondContact CA-O 3.44Å; G98-R137 PolarHBondContact N-O 3.23Å; G98-R137 WeakPolarHBondContact O-CD 3.4Å; G98-R137 WeakPolarHBondContact O-CG 3.12Å
99	L	96.2	Very high	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.			trans	-80.3	117.1	177.8	-175.5	63	0	0	0	110.7	L67 C79 K95 P96 Y97 I109 L111	L67-L99 HydrophobicContact CD1-CB 3.74Å; L67-L99 HydrophobicContact CD1-CD1 4.46Å; C79-L99 VanDerWaalsContact SG-CD2 3.52Å; K95-L99 HydrophobicContact CG-CB 4.37Å; K95-L99 HydrophobicContact CG-CD2 4.14Å; K95-L99 PolarHBondContact NZ-O 3.12Å; P96-L99 HydrophobicContact CG-CB 4.24Å; P96-L99 HydrophobicContact CG-CD2 4.17Å; Y97-L99 VanDerWaalsContact C-N 3.31Å; Y97-L99 PolarHBondContact O-N 2.91Å; L99-I109 HydrophobicContact CD1-CG2 3.92Å; L99-L111 HydrophobicContact CD2-CB 4.25Å; L99-L111 HydrophobicContact CD2-CD1 4.2Å; L99-L111 HydrophobicContact CG-CB 4.33Å
100	S	95.1	Very high	90	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-76.3	143.2	172.2	-173.3	0	0	0	0	110.2	G98 T102 I109 S110 L111	G98-S100 PolarHBondContact O-N 3.25Å; S100-T102 WeakPolarHBondContact CB-O 3.25Å; S100-T102 PolarHBondContact OG-O 3.24Å; S100-I109 PolarHBondContact N-O 3.15Å; S100-S110 CarbonylContact O-C 3.37Å; S100-S110 VanDerWaalsContact O-CA 3.27Å; S100-S110 WeakPolarHBondContact O-CA 3.26Å; S100-L111 PolarHBondContact O-N 2.83Å
101	V	94.3	Very high	89.9	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.036	23%	0.227	C	C	.	.	S	Bend	trans	-77.9	-45.3	173.3	177.8	0	0	0	0	111	K95 K112 P131 R134 L135 L143	K95-V101 HydrophobicContact CD-CG2 3.97Å; V101-K112 PolarHBondContact O-N 3.46Å; V101-P131 HydrophobicContact CG1-CB 3.86Å; V101-P131 HydrophobicContact CG1-CG 4.1Å; V101-R134 HydrophobicContact CB-CB 4.43Å; V101-R134 HydrophobicContact CG1-CB 4.37Å; V101-R134 HydrophobicContact CG1-CG 4.07Å; V101-L135 WeakPolarHBondContact CG2-O 3.33Å; V101-L143 HydrophobicContact CG2-CD1 4.26Å; V101-L143 HydrophobicContact CG2-CD2 3.72Å
102	T	88	Confident	89.6	Confident	62 Å²	62	42.7 Å²	42.7	38%	0.38	25%	0.25	S	C	.	.	S	Bend	trans	-97	161.7	178.5	56.3	0	0	0	0	111.4	S100 S110	S100-T102 WeakPolarHBondContact CB-O 3.25Å; S100-T102 PolarHBondContact OG-O 3.24Å; T102-S110 WeakPolarHBondContact O-CB 3.43Å
103	E	82.7	Confident	89.4	Confident	125 Å²	125	44.6 Å²	44.6	58%	0.584	26%	0.263	S	S	*	.			trans	-55.9	143.2	166.8	-72.9	161.9	-149.1	0	0	110.2	K112	E103-K112 HydrophobicContact CG-CD 4.32Å; E103-K112 VanDerWaalsContact OE1-CD 3.3Å; E103-K112 WeakPolarHBondContact OE1-CD 3.49Å; E103-K112 VanDerWaalsContact OE1-CE 3.3Å; E103-K112 WeakPolarHBondContact OE1-CE 3.4Å; E103-K112 IonicContact OE1-NZ 3.33Å; E103-K112 PolarHBondContact OE1-NZ 3.37Å; E103-K112 IonicContact OE2-NZ 3.44Å
104	G	74	Confident	89.2	Confident	47 Å²	47	44.6 Å²	44.6	49%	0.485	26%	0.263	S	S	.	.			trans	-150.5	-158.8	-178.2	0	0	0	0	0	109.2	A106	G104-A106 PolarHBondContact O-N 3.2Å
105	P	72.9	Confident	89.1	Confident	85 Å²	85	44 Å²	44	55%	0.552	26%	0.26	S	S	*	.	S	Bend	trans	-52	136.9	176	-24	33	0	0	0	111.4	Q107 F108	P105-Q107 HydrophobicContact CB-CG 4.29Å; P105-Q107 PolarHBondContact O-N 3.21Å; P105-F108 HydrophobicContact CB-CD2 4.09Å; P105-F108 HydrophobicContact CB-CE2 4.34Å; P105-F108 HydrophobicContact CG-CD2 4.25Å; P105-F108 HydrophobicContact CG-CE2 4.4Å; P105-F108 PolarHBondContact O-N 3.04Å
106	A	68.9	Low	89	Confident	112 Å²	112	47.8 Å²	47.8	93%	0.926	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.5	-170.4	0	0	0	0	0	114.6	G104 F108	G104-A106 PolarHBondContact O-N 3.2Å; A106-F108 PolarHBondContact O-N 3.04Å
107	Q	73.3	Confident	88.9	Confident	141 Å²	141	48.8 Å²	48.8	66%	0.659	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.6	177.3	71.4	-168.4	52.4	0	0	114.8	P105	P105-Q107 HydrophobicContact CB-CG 4.29Å; P105-Q107 PolarHBondContact O-N 3.21Å
108	F	82	Confident	88.9	Confident	48 Å²	48	46.9 Å²	46.9	21%	0.211	29%	0.287	C	S	.	.	S	Bend	trans	-111.4	127.8	-178.1	-59.6	-60.8	0	0	0	111.2	P105 A106 R137	P105-F108 HydrophobicContact CB-CD2 4.09Å; P105-F108 HydrophobicContact CB-CE2 4.34Å; P105-F108 HydrophobicContact CG-CD2 4.25Å; P105-F108 HydrophobicContact CG-CE2 4.4Å; P105-F108 PolarHBondContact O-N 3.04Å; A106-F108 PolarHBondContact O-N 3.04Å; F108-R137 VanDerWaalsContact CE1-NH1 3.27Å
109	I	88.5	Confident	89.1	Confident	31 Å²	31	48.7 Å²	48.7	16%	0.159	29%	0.288	C	S	.	.			trans	-65	139.6	170.6	-166	163.2	0	0	0	110.9	L67 R72 I75 L99 S100 I114	L67-I109 HydrophobicContact CB-CG2 3.99Å; L67-I109 HydrophobicContact CD1-CG2 4.17Å; R72-I109 HydrophobicContact CG-CD1 4.49Å; I75-I109 HydrophobicContact CB-CD1 4.17Å; I75-I109 HydrophobicContact CD1-CD1 3.39Å; I75-I109 HydrophobicContact CD1-CG2 4.19Å; I75-I109 HydrophobicContact CG1-CD1 4.36Å; I75-I109 HydrophobicContact CG2-CD1 4.05Å; L99-I109 HydrophobicContact CD1-CG2 3.92Å; S100-I109 PolarHBondContact N-O 3.15Å; I109-I114 HydrophobicContact CD1-CG2 3.8Å; I109-I114 HydrophobicContact CG1-CG2 4.35Å
110	S	93.4	Very high	89.1	Confident	6 Å²	6	55.6 Å²	55.6	4%	0.042	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-112.7	146.3	174.4	72.3	0	0	0	0	111	S100 T102 K112 S113	S100-S110 CarbonylContact O-C 3.37Å; S100-S110 VanDerWaalsContact O-CA 3.27Å; S100-S110 WeakPolarHBondContact O-CA 3.26Å; T102-S110 WeakPolarHBondContact O-CB 3.43Å; S110-K112 PolarHBondContact O-N 3.14Å; S110-S113 WeakPolarHBondContact O-CB 3.24Å; S110-S113 PolarHBondContact O-N 2.9Å; S110-S113 PolarHBondContact O-OG 2.87Å; S110-S113 PolarHBondContact OG-N 3.43Å
111	L	95.3	Very high	89.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-54.5	-44.2	171.8	179.4	63.3	0	0	0	109.8	L93 L99 S100 S113 I114 L115 L118 P131 L143 L145	L93-L111 HydrophobicContact CD1-CD1 4.06Å; L93-L111 HydrophobicContact CD1-CD2 4.41Å; L99-L111 HydrophobicContact CD2-CB 4.25Å; L99-L111 HydrophobicContact CD2-CD1 4.2Å; L99-L111 HydrophobicContact CG-CB 4.33Å; S100-L111 PolarHBondContact O-N 2.83Å; L111-S113 PolarHBondContact O-N 3.36Å; L111-S113 VanDerWaalsContact O-N 3.12Å; L111-I114 HydrophobicContact CD1-CD1 4.08Å; L111-I114 HydrophobicContact CD1-CG1 4.05Å; L111-I114 CarbonylContact O-C 3.51Å; L111-I114 WeakPolarHBondContact O-CG1 3.36Å; L111-I114 PolarHBondContact O-N 3.42Å; L111-L115 HydrophobicContact CD1-CD2 4.16Å; L111-L115 HydrophobicContact CD2-CD2 4.41Å; L111-L115 HydrophobicContact CG-CD2 3.96Å; L111-L115 HydrophobicContact CG-CG 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 3.16Å; L111-L118 HydrophobicContact CD1-CD2 4.05Å; L111-P131 HydrophobicContact CD2-CG 4.34Å; L111-L143 HydrophobicContact CD2-CD2 3.4Å; L111-L143 VanDerWaalsContact CD2-CD2 3.4Å; L111-L145 HydrophobicContact CD2-CD2 3.87Å
112	K	93.9	Very high	89.3	Confident	112 Å²	112	59.2 Å²	59.2	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-51.1	-38.4	177.2	-169.4	179.1	171.2	-147.3	0	113	V101 E103 S110 I114	V101-K112 PolarHBondContact O-N 3.46Å; E103-K112 HydrophobicContact CG-CD 4.32Å; E103-K112 VanDerWaalsContact OE1-CD 3.3Å; E103-K112 WeakPolarHBondContact OE1-CD 3.49Å; E103-K112 VanDerWaalsContact OE1-CE 3.3Å; E103-K112 WeakPolarHBondContact OE1-CE 3.4Å; E103-K112 IonicContact OE1-NZ 3.33Å; E103-K112 PolarHBondContact OE1-NZ 3.37Å; E103-K112 IonicContact OE2-NZ 3.44Å; S110-K112 PolarHBondContact O-N 3.14Å; K112-I114 VanDerWaalsContact C-N 3.28Å; K112-I114 PolarHBondContact O-N 3.4Å
113	S	92.9	Very high	89.8	Confident	39 Å²	39	57 Å²	57	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-71.5	-17	179.1	75.3	0	0	0	0	115.1	R72 S110 L111	R72-S113 PolarHBondContact NH1-O 3.16Å; R72-S113 VanDerWaalsContact NH1-O 3.08Å; S110-S113 WeakPolarHBondContact O-CB 3.24Å; S110-S113 PolarHBondContact O-N 2.9Å; S110-S113 PolarHBondContact O-OG 2.87Å; S110-S113 PolarHBondContact OG-N 3.43Å; L111-S113 PolarHBondContact O-N 3.36Å; L111-S113 VanDerWaalsContact O-N 3.12Å
114	I	94.8	Very high	90.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-113.1	-9.4	-179.6	64.1	167.7	0	0	0	113.3	R72 I75 V76 C79 I109 L111 K112 P116 A117 L118	R72-I114 HydrophobicContact CG-CG2 3.8Å; I75-I114 HydrophobicContact CG2-CD1 4.12Å; V76-I114 HydrophobicContact CG2-CB 3.92Å; V76-I114 HydrophobicContact CG2-CG2 4.17Å; C79-I114 HydrophobicContact CB-CD1 4.36Å; I109-I114 HydrophobicContact CD1-CG2 3.8Å; I109-I114 HydrophobicContact CG1-CG2 4.35Å; L111-I114 HydrophobicContact CD1-CD1 4.08Å; L111-I114 HydrophobicContact CD1-CG1 4.05Å; L111-I114 CarbonylContact O-C 3.51Å; L111-I114 WeakPolarHBondContact O-CG1 3.36Å; L111-I114 PolarHBondContact O-N 3.42Å; K112-I114 VanDerWaalsContact C-N 3.28Å; K112-I114 PolarHBondContact O-N 3.4Å; I114-P116 VanDerWaalsContact C-CD 3.43Å; I114-P116 VanDerWaalsContact C-N 3.32Å; I114-A117 PolarHBondContact O-N 2.91Å; I114-A117 VanDerWaalsContact O-N 3.1Å; I114-L118 WeakPolarHBondContact O-CB 3.19Å; I114-L118 PolarHBondContact O-N 2.82Å
115	L	96.4	Very high	91.5	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-50.4	-41.8	178.7	-77.2	172.7	0	0	0	113.7	L111 A117 L118 R119 L129 P131 L145	L111-L115 HydrophobicContact CD1-CD2 4.16Å; L111-L115 HydrophobicContact CD2-CD2 4.41Å; L111-L115 HydrophobicContact CG-CD2 3.96Å; L111-L115 HydrophobicContact CG-CG 4.19Å; L111-L115 WeakPolarHBondContact O-CG 3.2Å; L111-L115 PolarHBondContact O-N 3.16Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.45Å; L115-L118 PolarHBondContact O-N 2.98Å; L115-R119 VanDerWaalsContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 3.18Å; L115-L129 HydrophobicContact CD2-CD2 4.07Å; L115-L129 HydrophobicContact CD2-CG 4.11Å; L115-P131 HydrophobicContact CD1-CG 3.94Å; L115-L145 HydrophobicContact CD2-CD1 4.12Å
116	P	96	Very high	92.6	Very high	81 Å²	81	59.9 Å²	59.9	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-40.1	179.1	-25.5	35.9	0	0	0	113.6	I114 K120	I114-P116 VanDerWaalsContact C-CD 3.43Å; I114-P116 VanDerWaalsContact C-N 3.32Å; P116-K120 WeakPolarHBondContact O-CG 3.45Å; P116-K120 PolarHBondContact O-N 3.38Å
117	A	96.7	Very high	93.8	Very high	35 Å²	35	64.4 Å²	64.4	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-72.8	-43.5	176.9	0	0	0	0	0	110.9	V76 I114 L115 R119 K120 L121	V76-A117 HydrophobicContact CG1-CB 4.08Å; V76-A117 HydrophobicContact CG2-CB 3.72Å; I114-A117 PolarHBondContact O-N 2.91Å; I114-A117 VanDerWaalsContact O-N 3.1Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.45Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.39Å; A117-K120 PolarHBondContact O-N 2.76Å; A117-L121 PolarHBondContact O-N 2.8Å; A117-L121 VanDerWaalsContact O-N 3.14Å
118	L	97.2	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-39.7	177.5	-168.9	64	0	0	0	112.2	V76 C79 A80 L93 L111 I114 L115 L121 L122 L129 L145	V76-L118 HydrophobicContact CG1-CD1 4.36Å; C79-L118 HydrophobicContact CB-CD1 3.95Å; C79-L118 HydrophobicContact CB-CD2 4.15Å; A80-L118 HydrophobicContact CB-CD1 4.07Å; L93-L118 HydrophobicContact CD1-CD2 4.19Å; L111-L118 HydrophobicContact CD1-CD2 4.05Å; I114-L118 WeakPolarHBondContact O-CB 3.19Å; I114-L118 PolarHBondContact O-N 2.82Å; L115-L118 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 2.99Å; L118-L122 HydrophobicContact CD1-CD1 3.67Å; L118-L122 HydrophobicContact CD1-CG 4.05Å; L118-L122 HydrophobicContact CD2-CD1 4.32Å; L118-L122 HydrophobicContact CG-CD1 3.71Å; L118-L122 HydrophobicContact CG-CG 4.31Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.36Å; L118-L129 HydrophobicContact CD2-CD2 4.35Å; L118-L129 HydrophobicContact CG-CD2 4.29Å; L118-L145 HydrophobicContact CD2-CD1 4.43Å
119	R	97.9	Very high	95.5	Very high	54 Å²	54	56.8 Å²	56.8	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.6	-177.1	-161	67.1	72.7	0.2	111.4	L115 A117 L121 L122 V123 P124 S126 L129	L115-R119 VanDerWaalsContact O-CB 3.23Å; L115-R119 WeakPolarHBondContact O-CB 3.5Å; L115-R119 PolarHBondContact O-N 3.18Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.39Å; R119-L121 PolarHBondContact O-N 2.94Å; R119-L122 PolarHBondContact O-N 3.32Å; R119-V123 HydrophobicContact CB-CG2 4.49Å; R119-V123 HydrophobicContact CG-CG2 3.89Å; R119-V123 CarbonylContact O-C 3.56Å; R119-V123 WeakPolarHBondContact O-CA 3.47Å; R119-V123 PolarHBondContact O-N 3.22Å; R119-P124 PolarHBondContact NH1-O 3.07Å; R119-S126 WeakPolarHBondContact CD-O 3.02Å; R119-S126 PolarHBondContact NH1-O 3.07Å; R119-L129 HydrophobicContact CB-CB 3.89Å; R119-L129 HydrophobicContact CB-CD2 4.28Å; R119-L129 HydrophobicContact CG-CB 4.02Å
120	K	97.3	Very high	95.8	Very high	145 Å²	145	59.3 Å²	59.3	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-58	-35.7	178.4	-74.3	178.3	-179.2	-175.2	0	111.9	P116 A117 P124	P116-K120 WeakPolarHBondContact O-CG 3.45Å; P116-K120 PolarHBondContact O-N 3.38Å; A117-K120 PolarHBondContact O-N 2.76Å; K120-P124 WeakPolarHBondContact O-CB 3.48Å
121	L	96.8	Very high	96	Very high	76 Å²	76	60.8 Å²	60.8	40%	0.398	31%	0.307	S	S	.	.	H	α-helix	trans	-77.4	-47.9	-179.9	-168.1	159.4	0	0	0	112.3	V76 A80 A117 L118 R119	V76-L121 HydrophobicContact CG1-CD1 4.36Å; A80-L121 HydrophobicContact CB-CD1 4Å; A80-L121 HydrophobicContact CB-CD2 3.53Å; A80-L121 HydrophobicContact CB-CG 4.4Å; A117-L121 PolarHBondContact O-N 2.8Å; A117-L121 VanDerWaalsContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 2.99Å; R119-L121 PolarHBondContact O-N 2.94Å
122	L	97.3	Very high	96.1	Very high	26 Å²	26	61.2 Å²	61.2	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-89.9	-38	-169.9	-64.3	-179.4	0	0	0	114.5	A80 V83 N86 V91 L118 R119	A80-L122 HydrophobicContact CB-CD2 4.05Å; V83-L122 HydrophobicContact CG2-CD1 3.45Å; V83-L122 VanDerWaalsContact CG2-CD1 3.45Å; V83-L122 HydrophobicContact CG2-CD2 3.79Å; V83-L122 HydrophobicContact CG2-CG 4.29Å; N86-L122 PolarHBondContact ND2-O 2.77Å; N86-L122 VanDerWaalsContact ND2-O 3.07Å; V91-L122 HydrophobicContact CG1-CD1 3.83Å; L118-L122 HydrophobicContact CD1-CD1 3.67Å; L118-L122 HydrophobicContact CD1-CG 4.05Å; L118-L122 HydrophobicContact CD2-CD1 4.32Å; L118-L122 HydrophobicContact CG-CD1 3.71Å; L118-L122 HydrophobicContact CG-CG 4.31Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.36Å; R119-L122 PolarHBondContact O-N 3.32Å
123	V	97.3	Very high	96.3	Very high	17 Å²	17	57 Å²	57	10%	0.103	29%	0.291	C	S	.	.			trans	-140.7	61.8	-172.2	-71.8	0	0	0	0	110.1	N86 V91 R119 K125 S126 L129 A147	N86-V123 WeakPolarHBondContact OD1-CG1 3.25Å; V91-V123 HydrophobicContact CG2-CG1 3.93Å; R119-V123 HydrophobicContact CB-CG2 4.49Å; R119-V123 HydrophobicContact CG-CG2 3.89Å; R119-V123 CarbonylContact O-C 3.56Å; R119-V123 WeakPolarHBondContact O-CA 3.47Å; R119-V123 PolarHBondContact O-N 3.22Å; V123-K125 PolarHBondContact O-N 3.02Å; V123-K125 VanDerWaalsContact O-N 3.11Å; V123-S126 WeakPolarHBondContact O-CB 3.37Å; V123-S126 PolarHBondContact O-N 3.01Å; V123-L129 HydrophobicContact CG2-CD1 4.26Å; V123-A147 HydrophobicContact CB-CB 4.34Å; V123-A147 HydrophobicContact CG1-CB 4.17Å; V123-A147 HydrophobicContact CG2-CB 4.12Å
124	P	96.2	Very high	96.3	Very high	89 Å²	89	63 Å²	63	58%	0.578	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31	-171.6	20	-32.3	0	0	0	113.9	R119 K120	R119-P124 PolarHBondContact NH1-O 3.07Å; K120-P124 WeakPolarHBondContact O-CB 3.48Å
125	K	96.1	Very high	96.4	Very high	206 Å²	206	63.5 Å²	63.5	90%	0.896	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.3	178.2	-64.8	-177.1	178.9	-179.7	0	113.3	V123	V123-K125 PolarHBondContact O-N 3.02Å; V123-K125 VanDerWaalsContact O-N 3.11Å
126	S	96.4	Very high	96.3	Very high	21 Å²	21	64.3 Å²	64.3	15%	0.147	32%	0.315	C	S	.	.			trans	-78	135.6	-179.2	-62.1	0	0	0	0	110.8	R119 V123 T128 A147	R119-S126 WeakPolarHBondContact CD-O 3.02Å; R119-S126 PolarHBondContact NH1-O 3.07Å; V123-S126 WeakPolarHBondContact O-CB 3.37Å; V123-S126 PolarHBondContact O-N 3.01Å; S126-T128 PolarHBondContact O-N 3.27Å; S126-A147 VanDerWaalsContact CB-O 3.3Å; S126-A147 WeakPolarHBondContact CB-O 3.24Å; S126-A147 PolarHBondContact OG-O 3.39Å
127	K	94.2	Very high	96.3	Very high	208 Å²	208	65 Å²	65	90%	0.904	31%	0.307	S	S	*	.	S	Bend	trans	-71.8	-21.8	176.9	-66.7	-177.5	-179.4	177.6	0	112.6
128	T	92.9	Very high	96.2	Very high	22 Å²	22	64.1 Å²	64.1	14%	0.135	30%	0.299	C	S	.	.			trans	-137.6	163.5	-174.6	-170.5	0	0	0	0	112.9	S126 F130 A147	S126-T128 PolarHBondContact O-N 3.27Å; T128-F130 HydrophobicContact CG2-CD2 3.82Å; T128-F130 HydrophobicContact CG2-CE2 3.64Å; T128-F130 HydrophobicContact CG2-CZ 4.29Å; T128-F130 VanDerWaalsContact OG1-CD1 3.25Å; T128-F130 WeakPolarHBondContact OG1-CD1 3.18Å; T128-F130 WeakPolarHBondContact OG1-CD2 3.47Å; T128-F130 WeakPolarHBondContact OG1-CE1 3.34Å; T128-F130 WeakPolarHBondContact OG1-CE2 3.46Å; T128-F130 WeakPolarHBondContact OG1-CG 3.47Å; T128-F130 WeakPolarHBondContact OG1-CZ 3.22Å; T128-A147 WeakPolarHBondContact O-CA 3.22Å
129	L	97.6	Very high	96.3	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	30%	0.3	C	S	.	.			trans	-149.1	106.4	164.2	-175.4	64.2	0	0	0	107.8	V91 L115 L118 R119 V123 L145 A146 A147	V91-L129 HydrophobicContact CB-CD1 4.1Å; V91-L129 HydrophobicContact CG2-CD1 3.86Å; L115-L129 HydrophobicContact CD2-CD2 4.07Å; L115-L129 HydrophobicContact CD2-CG 4.11Å; L118-L129 HydrophobicContact CD2-CD2 4.35Å; L118-L129 HydrophobicContact CG-CD2 4.29Å; R119-L129 HydrophobicContact CB-CB 3.89Å; R119-L129 HydrophobicContact CB-CD2 4.28Å; R119-L129 HydrophobicContact CG-CB 4.02Å; V123-L129 HydrophobicContact CG2-CD1 4.26Å; L129-L145 HydrophobicContact CD1-CB 3.6Å; L129-L145 HydrophobicContact CD1-CD1 4.17Å; L129-L145 HydrophobicContact CD2-CD1 3.92Å; L129-L145 HydrophobicContact CG-CB 4.06Å; L129-L145 HydrophobicContact CG-CD1 3.97Å; L129-A146 CarbonylContact C-O 3.56Å; L129-A146 WeakPolarHBondContact CA-O 3.31Å; L129-A147 HydrophobicContact CD1-CB 4.34Å
130	F	96.3	Very high	96.3	Very high	84 Å²	84	61.9 Å²	61.9	37%	0.368	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.4	-171.6	-64.6	-47.4	0	0	0	112.6	T128 V132 L145 A146 F152	T128-F130 HydrophobicContact CG2-CD2 3.82Å; T128-F130 HydrophobicContact CG2-CE2 3.64Å; T128-F130 HydrophobicContact CG2-CZ 4.29Å; T128-F130 VanDerWaalsContact OG1-CD1 3.25Å; T128-F130 WeakPolarHBondContact OG1-CD1 3.18Å; T128-F130 WeakPolarHBondContact OG1-CD2 3.47Å; T128-F130 WeakPolarHBondContact OG1-CE1 3.34Å; T128-F130 WeakPolarHBondContact OG1-CE2 3.46Å; T128-F130 WeakPolarHBondContact OG1-CG 3.47Å; T128-F130 WeakPolarHBondContact OG1-CZ 3.22Å; F130-V132 PolarHBondContact O-N 3.17Å; F130-L145 CarbonylContact O-C 3.56Å; F130-L145 WeakPolarHBondContact O-CA 3.33Å; F130-A146 PolarHBondContact N-O 3.48Å; F130-A146 PolarHBondContact O-N 3.04Å; F130-F152 HydrophobicContact CB-CD2 3.85Å; F130-F152 HydrophobicContact CB-CE2 4.01Å; F130-F152 HydrophobicContact CD2-CG 4.49Å
131	P	97.6	Very high	96.4	Very high	36 Å²	36	55 Å²	55	23%	0.234	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	117.7	169.9	-17.5	30.7	0	0	0	111.6	V101 L111 L115 L145	V101-P131 HydrophobicContact CG1-CB 3.86Å; V101-P131 HydrophobicContact CG1-CG 4.1Å; L111-P131 HydrophobicContact CD2-CG 4.34Å; L115-P131 HydrophobicContact CD1-CG 3.94Å; P131-L145 HydrophobicContact CB-CD2 3.89Å; P131-L145 HydrophobicContact CG-CD2 4.02Å
132	V	97.3	Very high	96.5	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	24%	0.242	C	C	.	.	S	Bend	trans	-72.8	-40.1	179.9	175.4	0	0	0	0	110.9	F130 M144 A146 F152 L155 F159	F130-V132 PolarHBondContact O-N 3.17Å; V132-M144 HydrophobicContact CB-CB 4.27Å; V132-M144 WeakPolarHBondContact CB-O 3.21Å; V132-M144 HydrophobicContact CG2-CB 4.41Å; V132-M144 PolarHBondContact N-O 3.19Å; V132-A146 HydrophobicContact CG2-CB 3.74Å; V132-F152 HydrophobicContact CG2-CD2 4.21Å; V132-L155 HydrophobicContact CB-CD1 4.41Å; V132-L155 HydrophobicContact CG1-CB 3.43Å; V132-L155 VanDerWaalsContact CG1-CB 3.43Å; V132-L155 HydrophobicContact CG1-CD1 4Å; V132-L155 HydrophobicContact CG1-CG 4.29Å; V132-L155 HydrophobicContact CG2-CB 4.41Å; V132-L155 HydrophobicContact CG2-CD1 3.73Å; V132-F159 HydrophobicContact CG1-CD2 3.85Å; V132-F159 HydrophobicContact CG1-CE2 3.59Å
133	H	96.4	Very high	96.5	Very high	23 Å²	23	50.1 Å²	50.1	11%	0.106	24%	0.236	C	C	.	.	S	Bend	trans	-133.5	-172.6	173.9	69.2	95.5	0	0	0	109.9	L142 L143 M144 F159	H133-L142 PolarHBondContact CE1-O 2.8Å; H133-L143 WeakPolarHBondContact O-CD1 3.37Å; H133-M144 PolarHBondContact NE2-N 3.28Å; H133-F159 HydrophobicContact CB-CE2 3.97Å; H133-F159 HydrophobicContact CB-CZ 3.88Å; H133-F159 AromaticContact CD2-CE2 3.94Å; H133-F159 AromaticContact CD2-CZ 3.68Å; H133-F159 AromaticContact CG-CZ 3.88Å
134	R	94.7	Very high	96.6	Very high	165 Å²	165	49.3 Å²	49.3	62%	0.623	23%	0.231	S	C	*	.			trans	-128.1	151.9	-179.2	-56.2	-176.8	-65.9	172.7	-2.1	110.4	V101	V101-R134 HydrophobicContact CB-CB 4.43Å; V101-R134 HydrophobicContact CG1-CB 4.37Å; V101-R134 HydrophobicContact CG1-CG 4.07Å
135	L	96.1	Very high	96.7	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	20%	0.203	C	C	.	.			trans	-121.6	150.6	163.4	-69.7	-178	0	0	0	108.3	K95 V101 T139 G141 L142 L143 Y168 A303	K95-L135 HydrophobicContact CB-CD1 4.3Å; K95-L135 HydrophobicContact CD-CB 4.26Å; K95-L135 HydrophobicContact CD-CD1 4.48Å; V101-L135 WeakPolarHBondContact CG2-O 3.33Å; L135-T139 HydrophobicContact CB-CG2 4.44Å; L135-T139 HydrophobicContact CD1-CG2 4.46Å; L135-T139 HydrophobicContact CD2-CG2 4.07Å; L135-G141 WeakPolarHBondContact CD1-O 3.27Å; L135-L142 WeakPolarHBondContact CD1-O 3.13Å; L135-L143 HydrophobicContact CD1-CB 4.2Å; L135-L143 HydrophobicContact CG-CD1 4.47Å; L135-Y168 HydrophobicContact CD2-CE1 4.24Å; L135-A303 HydrophobicContact CD1-CB 4.1Å; L135-A303 HydrophobicContact CD2-CB 3.89Å
136	D	94.9	Very high	96.8	Very high	35 Å²	35	35.3 Å²	35.3	19%	0.187	16%	0.161	C	C	.	.			trans	-63.2	155.7	173.2	-60.1	-10.8	0	0	0	110.2	K95 C138 T139 H248 R251	K95-D136 PolarHBondContact NZ-O 3.26Å; D136-C138 VanDerWaalsContact C-N 3.27Å; D136-C138 PolarHBondContact O-N 2.95Å; D136-T139 PolarHBondContact O-N 3.29Å; D136-H248 IonicContact OD1-CD2 2.63Å; D136-H248 PolarHBondContact OD1-CD2 2.9Å; D136-H248 IonicContact OD1-NE2 2.74Å; D136-H248 IonicContact OD2-CD2 2.81Å; D136-H248 PolarHBondContact OD2-CD2 2.94Å; D136-H248 IonicContact OD2-CG 3.47Å; D136-H248 IonicContact OD2-NE2 3.47Å; D136-R251 VanDerWaalsContact OD2-CD 3.26Å; D136-R251 WeakPolarHBondContact OD2-CD 3.5Å; D136-R251 IonicContact OD2-NH1 3.67Å; D136-R251 PolarHBondContact OD2-NH1 2.9Å; D136-R251 VanDerWaalsContact OD2-NH1 3.1Å
137	R	94.7	Very high	96.9	Very high	94 Å²	94	34.5 Å²	34.5	36%	0.355	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-47.6	179.3	-171.8	-170.5	72	-161.3	4	112.9	K95 G98 F108	K95-R137 PolarHBondContact NZ-O 3.39Å; K95-R137 VanDerWaalsContact NZ-O 3.13Å; G98-R137 VanDerWaalsContact C-CG 3.47Å; G98-R137 CarbonylContact C-O 3.55Å; G98-R137 WeakPolarHBondContact CA-O 3.44Å; G98-R137 PolarHBondContact N-O 3.23Å; G98-R137 WeakPolarHBondContact O-CD 3.4Å; G98-R137 WeakPolarHBondContact O-CG 3.12Å; F108-R137 VanDerWaalsContact CE1-NH1 3.27Å
138	C	95.5	Very high	97.1	Very high	18 Å²	18	25.6 Å²	25.6	12%	0.122	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.6	-177.7	-62.3	0	0	0	0	113.6	Y97 D136 M299	Y97-C138 HydrophobicContact CD2-CB 4.29Å; Y97-C138 WeakPolarHBondContact CD2-O 3.48Å; Y97-C138 HydrophobicContact CE1-CB 4.49Å; Y97-C138 HydrophobicContact CE2-CB 3.52Å; Y97-C138 WeakPolarHBondContact CE2-O 3.14Å; Y97-C138 PolarHBondContact OH-SG 3.14Å; D136-C138 VanDerWaalsContact C-N 3.27Å; D136-C138 PolarHBondContact O-N 2.95Å; C138-M299 HydrophobicContact CB-CB 4.2Å; C138-M299 HydrophobicContact CB-CE 3.69Å
139	T	98.1	Very high	97.3	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	15%	0.147	C	C	.	.			trans	-88.2	130.1	171	-61.7	0	0	0	0	108.6	K95 L135 D136 L301	K95-T139 WeakPolarHBondContact CE-O 3.46Å; K95-T139 PolarHBondContact NZ-O 3.08Å; L135-T139 HydrophobicContact CB-CG2 4.44Å; L135-T139 HydrophobicContact CD1-CG2 4.46Å; L135-T139 HydrophobicContact CD2-CG2 4.07Å; D136-T139 PolarHBondContact O-N 3.29Å; T139-L301 WeakPolarHBondContact CA-O 3.47Å; T139-L301 HydrophobicContact CG2-CD2 4.33Å; T139-L301 HydrophobicContact CG2-CG 3.99Å; T139-L301 WeakPolarHBondContact OG1-CD2 3.46Å
140	T	98.6	Very high	97.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	173.6	175.9	56.5	0	0	0	0	110.8	K95 Y97 L301 H302 A303 P324 F326	K95-T140 VanDerWaalsContact O-CA 3.27Å; K95-T140 WeakPolarHBondContact O-CA 3.44Å; Y97-T140 HydrophobicContact CD2-CG2 4.09Å; Y97-T140 HydrophobicContact CG-CG2 4.39Å; T140-L301 PolarHBondContact N-O 3.33Å; T140-L301 PolarHBondContact OG1-O 3.22Å; T140-H302 CarbonylContact O-C 3.58Å; T140-H302 WeakPolarHBondContact O-CA 3.1Å; T140-H302 PolarHBondContact OG1-ND1 3.46Å; T140-A303 PolarHBondContact O-N 3.34Å; T140-P324 HydrophobicContact CG2-CG 4.14Å; T140-F326 HydrophobicContact CG2-CE1 4.27Å; T140-F326 HydrophobicContact CG2-CZ 4.46Å
141	G	98.5	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-163.8	171.3	0	0	0	0	0	114.6	L93 N94 K95 L135 L143 H302 A303	L93-G141 VanDerWaalsContact O-O 3.07Å; N94-G141 CarbonylContact C-O 3.57Å; N94-G141 VanDerWaalsContact OD1-CA 3.23Å; N94-G141 WeakPolarHBondContact OD1-CA 3.47Å; N94-G141 PolarHBondContact OD1-N 3.44Å; K95-G141 WeakPolarHBondContact CB-O 3.22Å; K95-G141 PolarHBondContact N-O 2.93Å; K95-G141 PolarHBondContact O-N 2.88Å; L135-G141 WeakPolarHBondContact CD1-O 3.27Å; G141-L143 PolarHBondContact O-N 2.72Å; G141-H302 WeakPolarHBondContact CA-CE1 3.38Å; G141-H302 PolarHBondContact N-ND1 3.35Å; G141-A303 CarbonylContact C-O 3.49Å; G141-A303 VanDerWaalsContact CA-O 3.26Å; G141-A303 WeakPolarHBondContact CA-O 3.17Å
142	L	98.7	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	119.7	-165.8	-61.4	175.6	0	0	0	112.9	V84 V92 L93 H133 L135 A303 I306 L319 A321	V84-L142 HydrophobicContact CG2-CD2 3.64Å; V92-L142 HydrophobicContact CG1-CB 4.16Å; V92-L142 HydrophobicContact CG1-CD2 3.82Å; L93-L142 CarbonylContact O-C 3.59Å; L93-L142 VanDerWaalsContact O-CA 3.28Å; L93-L142 WeakPolarHBondContact O-CA 3.34Å; H133-L142 PolarHBondContact CE1-O 2.8Å; L135-L142 WeakPolarHBondContact CD1-O 3.13Å; L142-A303 PolarHBondContact N-O 3.33Å; L142-I306 HydrophobicContact CB-CD1 3.58Å; L142-I306 HydrophobicContact CB-CG1 3.95Å; L142-I306 HydrophobicContact CD1-CB 4.07Å; L142-I306 HydrophobicContact CD1-CD1 4.29Å; L142-I306 HydrophobicContact CD1-CG1 3.86Å; L142-L319 HydrophobicContact CD1-CB 4.25Å; L142-L319 HydrophobicContact CD1-CG 4.35Å; L142-L319 VanDerWaalsContact CD1-O 3.23Å; L142-L319 WeakPolarHBondContact CD1-O 3.41Å; L142-L319 HydrophobicContact CD2-CD2 3.89Å; L142-L319 HydrophobicContact CD2-CG 4.04Å; L142-A321 HydrophobicContact CD2-CB 3.65Å; L142-A321 HydrophobicContact CG-CB 3.69Å
143	L	98.6	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.7	171.5	176.3	68.3	0	0	0	109.5	V92 L93 K95 V101 L111 H133 L135 G141 L145	V92-L143 WeakPolarHBondContact CA-O 3.47Å; L93-L143 PolarHBondContact N-O 2.98Å; L93-L143 PolarHBondContact O-N 3.18Å; K95-L143 HydrophobicContact CB-CB 4.26Å; K95-L143 HydrophobicContact CD-CD2 4.09Å; K95-L143 HydrophobicContact CG-CD2 4.43Å; V101-L143 HydrophobicContact CG2-CD1 4.26Å; V101-L143 HydrophobicContact CG2-CD2 3.72Å; L111-L143 HydrophobicContact CD2-CD2 3.4Å; L111-L143 VanDerWaalsContact CD2-CD2 3.4Å; H133-L143 WeakPolarHBondContact O-CD1 3.37Å; L135-L143 HydrophobicContact CD1-CB 4.2Å; L135-L143 HydrophobicContact CG-CD1 4.47Å; G141-L143 PolarHBondContact O-N 2.72Å; L143-L145 HydrophobicContact CD2-CD2 4.14Å; L143-L145 HydrophobicContact CG-CD2 4.11Å
144	M	98.7	Very high	97.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133	178.9	-59.5	-172.1	-68.8	0	0	111.8	L90 V92 V132 H133 L155 F159 V164 I306 I308	L90-M144 HydrophobicContact CD1-CB 3.93Å; L90-M144 HydrophobicContact CD1-CG 4.27Å; L90-M144 HydrophobicContact CD1-SD 4.44Å; V92-M144 HydrophobicContact CG1-CG 4.19Å; V92-M144 HydrophobicContact CG2-CG 3.94Å; V132-M144 HydrophobicContact CB-CB 4.27Å; V132-M144 WeakPolarHBondContact CB-O 3.21Å; V132-M144 HydrophobicContact CG2-CB 4.41Å; V132-M144 PolarHBondContact N-O 3.19Å; H133-M144 PolarHBondContact NE2-N 3.28Å; M144-L155 HydrophobicContact CE-CD2 4.28Å; M144-L155 HydrophobicContact SD-CD2 4.38Å; M144-F159 HydrophobicContact CE-CE2 3.44Å; M144-F159 VanDerWaalsContact CE-CE2 3.44Å; M144-F159 HydrophobicContact CE-CZ 3.39Å; M144-V164 HydrophobicContact CE-CG1 4.28Å; M144-I306 HydrophobicContact CE-CD1 4.15Å; M144-I306 HydrophobicContact CE-CG2 4.28Å; M144-I306 HydrophobicContact CG-CD1 3.86Å; M144-I306 HydrophobicContact SD-CD1 4.08Å; M144-I306 HydrophobicContact SD-CG2 4.09Å; M144-I308 HydrophobicContact CE-CD1 4.21Å; M144-I308 HydrophobicContact SD-CD1 3.97Å
145	L	98.6	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	172.9	-43.4	177.8	0	0	0	109	V91 L93 L111 L115 L118 L129 F130 P131 L143	V91-L145 HydrophobicContact CB-CB 4.24Å; V91-L145 HydrophobicContact CG1-CD1 4.43Å; V91-L145 PolarHBondContact N-O 3.05Å; V91-L145 PolarHBondContact O-N 3.12Å; L93-L145 HydrophobicContact CD1-CD1 3.84Å; L93-L145 HydrophobicContact CG-CD1 4.07Å; L111-L145 HydrophobicContact CD2-CD2 3.87Å; L115-L145 HydrophobicContact CD2-CD1 4.12Å; L118-L145 HydrophobicContact CD2-CD1 4.43Å; L129-L145 HydrophobicContact CD1-CB 3.6Å; L129-L145 HydrophobicContact CD1-CD1 4.17Å; L129-L145 HydrophobicContact CD2-CD1 3.92Å; L129-L145 HydrophobicContact CG-CB 4.06Å; L129-L145 HydrophobicContact CG-CD1 3.97Å; F130-L145 CarbonylContact O-C 3.56Å; F130-L145 WeakPolarHBondContact O-CA 3.33Å; P131-L145 HydrophobicContact CB-CD2 3.89Å; P131-L145 HydrophobicContact CG-CD2 4.02Å; L143-L145 HydrophobicContact CD2-CD2 4.14Å; L143-L145 HydrophobicContact CG-CD2 4.11Å
146	A	98.4	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	131	176.3	0	0	0	0	0	110.4	L129 F130 V132 R151 F152	L129-A146 CarbonylContact C-O 3.56Å; L129-A146 WeakPolarHBondContact CA-O 3.31Å; F130-A146 PolarHBondContact N-O 3.48Å; F130-A146 PolarHBondContact O-N 3.04Å; V132-A146 HydrophobicContact CG2-CB 3.74Å; A146-R151 HydrophobicContact CB-CB 4.16Å; A146-R151 HydrophobicContact CB-CG 4.05Å; A146-F152 HydrophobicContact CB-CB 3.67Å; A146-F152 HydrophobicContact CB-CD2 4.22Å; A146-F152 HydrophobicContact CB-CG 4.47Å
147	A	98.2	Very high	97.8	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	19%	0.186	C	C	.	.	S	Bend	trans	-93.4	-2.1	178.3	0	0	0	0	0	113.1	D89 V123 S126 T128 L129	D89-A147 HydrophobicContact CB-CB 4.42Å; D89-A147 PolarHBondContact O-N 2.94Å; V123-A147 HydrophobicContact CB-CB 4.34Å; V123-A147 HydrophobicContact CG1-CB 4.17Å; V123-A147 HydrophobicContact CG2-CB 4.12Å; S126-A147 VanDerWaalsContact CB-O 3.3Å; S126-A147 WeakPolarHBondContact CB-O 3.24Å; S126-A147 PolarHBondContact OG-O 3.39Å; T128-A147 WeakPolarHBondContact O-CA 3.22Å; L129-A147 HydrophobicContact CD1-CB 4.34Å
148	S	97.9	Very high	98	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	17%	0.172	C	C	.	.	S	Bend	trans	-137.7	157.6	171.8	69.1	0	0	0	0	111.6	D89 F150 R151 F152	D89-S148 VanDerWaalsContact CB-OG 3.31Å; D89-S148 WeakPolarHBondContact CB-OG 3.33Å; D89-S148 VanDerWaalsContact CG-OG 3.28Å; D89-S148 WeakPolarHBondContact OD2-CB 3.35Å; D89-S148 PolarHBondContact OD2-OG 2.97Å; S148-F150 VanDerWaalsContact C-N 3.33Å; S148-R151 WeakPolarHBondContact OG-CB 3.23Å; S148-R151 PolarHBondContact OG-N 3.13Å; S148-F152 WeakPolarHBondContact O-CB 3.4Å; S148-F152 PolarHBondContact O-N 3.19Å
149	E	97.5	Very high	98.1	Very high	153 Å²	153	35.6 Å²	35.6	72%	0.715	17%	0.174	S	C	*	.	H	α-helix	trans	-66.8	-36.7	176.9	-67	-177.7	170.9	0	0	111.8	F152 S153	E149-F152 PolarHBondContact O-N 3.33Å; E149-S153 PolarHBondContact O-N 2.88Å
150	F	96.8	Very high	98	Very high	144 Å²	144	39.1 Å²	39.1	63%	0.632	20%	0.203	S	C	*	.	H	α-helix	trans	-55.2	-56.4	173.5	172.5	-97.6	0	0	0	110.9	S148 F152 S153 E154	S148-F150 VanDerWaalsContact C-N 3.33Å; F150-F152 VanDerWaalsContact C-N 3.26Å; F150-F152 PolarHBondContact O-N 3.2Å; F150-S153 PolarHBondContact O-N 2.85Å; F150-E154 WeakPolarHBondContact O-CB 3.39Å; F150-E154 PolarHBondContact O-N 3.23Å
151	R	97.6	Very high	98	Very high	18 Å²	18	45.5 Å²	45.5	7%	0.068	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-35.1	-179.7	-177.3	62.8	72.8	-179.7	11.4	112.1	D88 D89 L90 A146 S148 E154 L155	D88-R151 VanDerWaalsContact CB-NH2 3.29Å; D88-R151 VanDerWaalsContact O-CZ 3.25Å; D88-R151 PolarHBondContact O-NE 2.83Å; D88-R151 PolarHBondContact O-NH2 3.34Å; D89-R151 HydrophobicContact CB-CB 3.9Å; D89-R151 HydrophobicContact CB-CG 4.31Å; D89-R151 WeakPolarHBondContact O-CG 3.5Å; L90-R151 HydrophobicContact CB-CG 4.43Å; A146-R151 HydrophobicContact CB-CB 4.16Å; A146-R151 HydrophobicContact CB-CG 4.05Å; S148-R151 WeakPolarHBondContact OG-CB 3.23Å; S148-R151 PolarHBondContact OG-N 3.13Å; R151-E154 WeakPolarHBondContact CD-OE2 3.44Å; R151-E154 IonicContact CZ-OE2 2.79Å; R151-E154 IonicContact NE-OE2 3.46Å; R151-E154 IonicContact NH1-OE1 3.71Å; R151-E154 IonicContact NH1-OE2 3.27Å; R151-E154 PolarHBondContact NH1-OE2 3.46Å; R151-L155 HydrophobicContact CG-CD1 4.07Å; R151-L155 WeakPolarHBondContact O-CB 3.5Å; R151-L155 PolarHBondContact O-N 2.98Å
152	F	98.2	Very high	97.9	Very high	65 Å²	65	51.1 Å²	51.1	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-48.5	175.9	-177.4	-104.8	0	0	0	111.6	F130 V132 A146 S148 E149 F150 K156	F130-F152 HydrophobicContact CB-CD2 3.85Å; F130-F152 HydrophobicContact CB-CE2 4.01Å; F130-F152 HydrophobicContact CD2-CG 4.49Å; V132-F152 HydrophobicContact CG2-CD2 4.21Å; A146-F152 HydrophobicContact CB-CB 3.67Å; A146-F152 HydrophobicContact CB-CD2 4.22Å; A146-F152 HydrophobicContact CB-CG 4.47Å; S148-F152 WeakPolarHBondContact O-CB 3.4Å; S148-F152 PolarHBondContact O-N 3.19Å; E149-F152 PolarHBondContact O-N 3.33Å; F150-F152 VanDerWaalsContact C-N 3.26Å; F150-F152 PolarHBondContact O-N 3.2Å; F152-K156 HydrophobicContact CD1-CG 4.27Å; F152-K156 HydrophobicContact CD2-CG 4.49Å; F152-K156 HydrophobicContact CE1-CG 4Å; F152-K156 HydrophobicContact CE2-CD 4.46Å; F152-K156 HydrophobicContact CE2-CG 4.24Å; F152-K156 HydrophobicContact CZ-CD 4.14Å; F152-K156 HydrophobicContact CZ-CG 3.99Å; F152-K156 VanDerWaalsContact O-CB 3.29Å; F152-K156 WeakPolarHBondContact O-CB 3.24Å; F152-K156 WeakPolarHBondContact O-CG 3.14Å; F152-K156 PolarHBondContact O-N 3.03Å
153	S	97.8	Very high	97.9	Very high	62 Å²	62	54.1 Å²	54.1	43%	0.434	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-47.9	179.9	-164.4	0	0	0	0	111.8	E149 F150 L155 K156 D157	E149-S153 PolarHBondContact O-N 2.88Å; F150-S153 PolarHBondContact O-N 2.85Å; S153-L155 PolarHBondContact O-N 3.37Å; S153-K156 WeakPolarHBondContact O-CB 3.5Å; S153-K156 PolarHBondContact O-N 3.27Å; S153-K156 VanDerWaalsContact O-N 3.14Å; S153-D157 PolarHBondContact O-N 3.41Å
154	E	97.9	Very high	97.8	Very high	46 Å²	46	54.1 Å²	54.1	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-54.4	-53	178.8	179.1	-172	-133	0	0	111.5	F150 R151 K156 D157 M158 F311	F150-E154 WeakPolarHBondContact O-CB 3.39Å; F150-E154 PolarHBondContact O-N 3.23Å; R151-E154 WeakPolarHBondContact CD-OE2 3.44Å; R151-E154 IonicContact CZ-OE2 2.79Å; R151-E154 IonicContact NE-OE2 3.46Å; R151-E154 IonicContact NH1-OE1 3.71Å; R151-E154 IonicContact NH1-OE2 3.27Å; R151-E154 PolarHBondContact NH1-OE2 3.46Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.89Å; E154-D157 PolarHBondContact O-N 2.85Å; E154-M158 HydrophobicContact CG-SD 4.43Å; E154-M158 WeakPolarHBondContact O-CG 3.28Å; E154-M158 PolarHBondContact O-N 2.64Å; E154-F311 HydrophobicContact CG-CE2 4.33Å; E154-F311 VanDerWaalsContact OE2-CE2 3.26Å; E154-F311 WeakPolarHBondContact OE2-CE2 3.33Å
155	L	98.2	Very high	97.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-35.7	179.1	-77.4	169.3	0	0	0	112.6	L90 V132 M144 R151 S153 D157 M158 F159 I308 F311	L90-L155 HydrophobicContact CD1-CD1 3.99Å; V132-L155 HydrophobicContact CB-CD1 4.41Å; V132-L155 HydrophobicContact CG1-CB 3.43Å; V132-L155 VanDerWaalsContact CG1-CB 3.43Å; V132-L155 HydrophobicContact CG1-CD1 4Å; V132-L155 HydrophobicContact CG1-CG 4.29Å; V132-L155 HydrophobicContact CG2-CB 4.41Å; V132-L155 HydrophobicContact CG2-CD1 3.73Å; M144-L155 HydrophobicContact CE-CD2 4.28Å; M144-L155 HydrophobicContact SD-CD2 4.38Å; R151-L155 HydrophobicContact CG-CD1 4.07Å; R151-L155 WeakPolarHBondContact O-CB 3.5Å; R151-L155 PolarHBondContact O-N 2.98Å; S153-L155 PolarHBondContact O-N 3.37Å; L155-D157 VanDerWaalsContact C-N 3.28Å; L155-D157 PolarHBondContact O-N 3.07Å; L155-M158 PolarHBondContact O-N 3.18Å; L155-F159 WeakPolarHBondContact O-CB 3.27Å; L155-F159 WeakPolarHBondContact O-CD2 3.41Å; L155-F159 PolarHBondContact O-N 3.43Å; L155-I308 HydrophobicContact CD2-CD1 3.67Å; L155-F311 HydrophobicContact CD1-CZ 4.09Å; L155-F311 HydrophobicContact CD2-CD2 4.49Å; L155-F311 HydrophobicContact CD2-CE1 4.11Å; L155-F311 HydrophobicContact CD2-CE2 3.56Å; L155-F311 HydrophobicContact CD2-CZ 3.35Å; L155-F311 HydrophobicContact CG-CE2 3.88Å; L155-F311 HydrophobicContact CG-CZ 3.73Å
156	K	97.8	Very high	97.8	Very high	103 Å²	103	55.8 Å²	55.8	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-40.9	175.3	-80.6	-73.1	-62	-178.5	0	111.2	F152 S153 E154 A160	F152-K156 HydrophobicContact CD1-CG 4.27Å; F152-K156 HydrophobicContact CD2-CG 4.49Å; F152-K156 HydrophobicContact CE1-CG 4Å; F152-K156 HydrophobicContact CE2-CD 4.46Å; F152-K156 HydrophobicContact CE2-CG 4.24Å; F152-K156 HydrophobicContact CZ-CD 4.14Å; F152-K156 HydrophobicContact CZ-CG 3.99Å; F152-K156 VanDerWaalsContact O-CB 3.29Å; F152-K156 WeakPolarHBondContact O-CB 3.24Å; F152-K156 WeakPolarHBondContact O-CG 3.14Å; F152-K156 PolarHBondContact O-N 3.03Å; S153-K156 WeakPolarHBondContact O-CB 3.5Å; S153-K156 PolarHBondContact O-N 3.27Å; S153-K156 VanDerWaalsContact O-N 3.14Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 2.89Å; K156-A160 PolarHBondContact O-N 3.2Å; K156-A160 VanDerWaalsContact O-N 3.08Å
157	D	98	Very high	97.9	Very high	76 Å²	76	58 Å²	58	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-70.6	-42.7	176.9	-65.2	-24.7	0	0	0	111.5	S153 E154 L155 F159 A160 R161	S153-D157 PolarHBondContact O-N 3.41Å; E154-D157 PolarHBondContact O-N 2.85Å; L155-D157 VanDerWaalsContact C-N 3.28Å; L155-D157 PolarHBondContact O-N 3.07Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 3.49Å; D157-A160 CarbonylContact O-C 3.53Å; D157-A160 WeakPolarHBondContact O-CA 3.05Å; D157-A160 WeakPolarHBondContact O-CB 3.26Å; D157-A160 PolarHBondContact O-N 2.83Å; D157-R161 WeakPolarHBondContact O-CG 3.47Å; D157-R161 PolarHBondContact O-N 3.18Å
158	M	98.1	Very high	97.9	Very high	10 Å²	10	59 Å²	59	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-39.5	174.3	-68.5	-174.9	143.7	0	0	112.4	E154 L155 R161 R162 E163 V164 I308 F311	E154-M158 HydrophobicContact CG-SD 4.43Å; E154-M158 WeakPolarHBondContact O-CG 3.28Å; E154-M158 PolarHBondContact O-N 2.64Å; L155-M158 PolarHBondContact O-N 3.18Å; M158-R161 PolarHBondContact O-N 3.4Å; M158-R162 PolarHBondContact O-N 2.88Å; M158-R162 VanDerWaalsContact O-N 3.1Å; M158-E163 HydrophobicContact CB-CB 4.37Å; M158-E163 WeakPolarHBondContact CG-OE2 3.46Å; M158-E163 PolarHBondContact O-N 2.9Å; M158-V164 HydrophobicContact CB-CG2 3.99Å; M158-I308 HydrophobicContact CE-CG2 4.08Å; M158-I308 HydrophobicContact SD-CG2 3.52Å; M158-I308 VanDerWaalsContact SD-CG2 3.52Å; M158-F311 HydrophobicContact CE-CB 4.15Å; M158-F311 HydrophobicContact CE-CD2 3.74Å; M158-F311 HydrophobicContact CE-CG 4.36Å; M158-F311 HydrophobicContact SD-CD2 3.45Å; M158-F311 WeakPolarHBondContact SD-CD2 3.4Å; M158-F311 HydrophobicContact SD-CE2 3.91Å; M158-F311 HydrophobicContact SD-CG 4.22Å
159	F	97.7	Very high	97.9	Very high	38 Å²	38	58.8 Å²	58.8	17%	0.167	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-39.1	171.7	-88.7	-63.2	0	0	0	112.5	V132 H133 M144 L155 D157 R162 V164 K166	V132-F159 HydrophobicContact CG1-CD2 3.85Å; V132-F159 HydrophobicContact CG1-CE2 3.59Å; H133-F159 HydrophobicContact CB-CE2 3.97Å; H133-F159 HydrophobicContact CB-CZ 3.88Å; H133-F159 AromaticContact CD2-CE2 3.94Å; H133-F159 AromaticContact CD2-CZ 3.68Å; H133-F159 AromaticContact CG-CZ 3.88Å; M144-F159 HydrophobicContact CE-CE2 3.44Å; M144-F159 VanDerWaalsContact CE-CE2 3.44Å; M144-F159 HydrophobicContact CE-CZ 3.39Å; L155-F159 WeakPolarHBondContact O-CB 3.27Å; L155-F159 WeakPolarHBondContact O-CD2 3.41Å; L155-F159 PolarHBondContact O-N 3.43Å; D157-F159 VanDerWaalsContact C-N 3.3Å; D157-F159 PolarHBondContact O-N 3.49Å; F159-R162 PolarHBondContact O-N 3.17Å; F159-V164 HydrophobicContact CD1-CB 3.82Å; F159-V164 HydrophobicContact CD1-CG1 4.22Å; F159-V164 HydrophobicContact CD1-CG2 4.04Å; F159-V164 HydrophobicContact CD2-CG2 4.31Å; F159-V164 HydrophobicContact CE1-CB 3.65Å; F159-V164 HydrophobicContact CE1-CG1 3.51Å; F159-V164 HydrophobicContact CE1-CG2 4.08Å; F159-V164 HydrophobicContact CE2-CG2 4.33Å; F159-V164 HydrophobicContact CG-CB 4.44Å; F159-V164 HydrophobicContact CG-CG2 4.16Å; F159-V164 HydrophobicContact CZ-CB 4.14Å; F159-V164 HydrophobicContact CZ-CG1 3.7Å; F159-V164 HydrophobicContact CZ-CG2 4.23Å; F159-K166 HydrophobicContact CE1-CD 4.12Å
160	A	96.4	Very high	98	Very high	77 Å²	77	51.5 Å²	51.5	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-67.5	-38.5	178.1	0	0	0	0	0	111.7	K156 D157 R162	K156-A160 PolarHBondContact O-N 3.2Å; K156-A160 VanDerWaalsContact O-N 3.08Å; D157-A160 CarbonylContact O-C 3.53Å; D157-A160 WeakPolarHBondContact O-CA 3.05Å; D157-A160 WeakPolarHBondContact O-CB 3.26Å; D157-A160 PolarHBondContact O-N 2.83Å; A160-R162 VanDerWaalsContact C-N 3.25Å; A160-R162 PolarHBondContact O-N 3.39Å
161	R	97.5	Very high	98	Very high	137 Å²	137	44.7 Å²	44.7	52%	0.517	22%	0.217	S	C	.	.	H	α-helix	trans	-77.7	-3.5	175.6	-64.8	-168.9	-55.5	-97.7	-4.5	114.3	D157 M158 E163	D157-R161 WeakPolarHBondContact O-CG 3.47Å; D157-R161 PolarHBondContact O-N 3.18Å; M158-R161 PolarHBondContact O-N 3.4Å; R161-E163 VanDerWaalsContact C-N 3.29Å; R161-E163 HydrophobicContact CB-CG 4.15Å; R161-E163 WeakPolarHBondContact CB-OE1 3.36Å; R161-E163 WeakPolarHBondContact CD-OE1 3.45Å; R161-E163 IonicContact CZ-OE1 2.76Å; R161-E163 IonicContact CZ-OE2 3.61Å; R161-E163 VanDerWaalsContact NE-CD 3.34Å; R161-E163 IonicContact NE-OE1 3.35Å; R161-E163 PolarHBondContact NE-OE1 2.94Å; R161-E163 IonicContact NE-OE2 2.74Å; R161-E163 PolarHBondContact NE-OE2 2.92Å; R161-E163 IonicContact NH2-OE1 3.47Å; R161-E163 IonicContact NH2-OE2 3.6Å; R161-E163 PolarHBondContact NH2-OE2 2.89Å; R161-E163 PolarHBondContact O-N 3.44Å
162	R	97.3	Very high	98.1	Very high	118 Å²	118	43.8 Å²	43.8	45%	0.445	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	28.8	179.3	-52.8	178	-175.4	167.1	1.9	113.8	M158 F159 A160 Q243 Y244	M158-R162 PolarHBondContact O-N 2.88Å; M158-R162 VanDerWaalsContact O-N 3.1Å; F159-R162 PolarHBondContact O-N 3.17Å; A160-R162 VanDerWaalsContact C-N 3.25Å; A160-R162 PolarHBondContact O-N 3.39Å; R162-Q243 HydrophobicContact CB-CB 4.09Å; R162-Q243 WeakPolarHBondContact O-CB 3.33Å; R162-Q243 WeakPolarHBondContact O-CG 3.14Å; R162-Q243 PolarHBondContact O-OE1 3.48Å; R162-Y244 VanDerWaalsContact NH1-CE1 3.29Å; R162-Y244 PolarHBondContact NH1-OH 2.86Å
163	E	97.9	Very high	98	Very high	62 Å²	62	43.1 Å²	43.1	29%	0.29	21%	0.211	S	C	.	.			trans	-78.5	-28.7	177.7	-71.5	159.8	-170.5	0	0	111.6	M158 R161 T165 P309	M158-E163 HydrophobicContact CB-CB 4.37Å; M158-E163 WeakPolarHBondContact CG-OE2 3.46Å; M158-E163 PolarHBondContact O-N 2.9Å; R161-E163 VanDerWaalsContact C-N 3.29Å; R161-E163 HydrophobicContact CB-CG 4.15Å; R161-E163 WeakPolarHBondContact CB-OE1 3.36Å; R161-E163 WeakPolarHBondContact CD-OE1 3.45Å; R161-E163 IonicContact CZ-OE1 2.76Å; R161-E163 IonicContact CZ-OE2 3.61Å; R161-E163 VanDerWaalsContact NE-CD 3.34Å; R161-E163 IonicContact NE-OE1 3.35Å; R161-E163 PolarHBondContact NE-OE1 2.94Å; R161-E163 IonicContact NE-OE2 2.74Å; R161-E163 PolarHBondContact NE-OE2 2.92Å; R161-E163 IonicContact NH2-OE1 3.47Å; R161-E163 IonicContact NH2-OE2 3.6Å; R161-E163 PolarHBondContact NH2-OE2 2.89Å; R161-E163 PolarHBondContact O-N 3.44Å; E163-T165 PolarHBondContact O-N 2.85Å; E163-P309 HydrophobicContact CB-CG 4.47Å; E163-P309 VanDerWaalsContact O-CD 3.26Å; E163-P309 WeakPolarHBondContact O-CD 3.46Å
164	V	98.5	Very high	98	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.207	C	C	.	.			trans	-79.7	109.1	-179.9	-175.3	0	0	0	0	111	M144 M158 F159 K166 Q243 I306 I308	M144-V164 HydrophobicContact CE-CG1 4.28Å; M158-V164 HydrophobicContact CB-CG2 3.99Å; F159-V164 HydrophobicContact CD1-CB 3.82Å; F159-V164 HydrophobicContact CD1-CG1 4.22Å; F159-V164 HydrophobicContact CD1-CG2 4.04Å; F159-V164 HydrophobicContact CD2-CG2 4.31Å; F159-V164 HydrophobicContact CE1-CB 3.65Å; F159-V164 HydrophobicContact CE1-CG1 3.51Å; F159-V164 HydrophobicContact CE1-CG2 4.08Å; F159-V164 HydrophobicContact CE2-CG2 4.33Å; F159-V164 HydrophobicContact CG-CB 4.44Å; F159-V164 HydrophobicContact CG-CG2 4.16Å; F159-V164 HydrophobicContact CZ-CB 4.14Å; F159-V164 HydrophobicContact CZ-CG1 3.7Å; F159-V164 HydrophobicContact CZ-CG2 4.23Å; V164-K166 HydrophobicContact CG1-CG 4.33Å; V164-Q243 WeakPolarHBondContact O-CA 3.41Å; V164-I306 HydrophobicContact CG1-CG2 3.98Å; V164-I308 HydrophobicContact CB-CG1 4.46Å; V164-I308 HydrophobicContact CG1-CD1 4.38Å; V164-I308 HydrophobicContact CG1-CG1 4.08Å; V164-I308 HydrophobicContact CG2-CD1 4.11Å; V164-I308 HydrophobicContact CG2-CG1 4.08Å; V164-I308 HydrophobicContact CG2-CG2 4.29Å
165	T	98.7	Very high	98	Very high	21 Å²	21	42.9 Å²	42.9	13%	0.129	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.7	173.1	-62.3	0	0	0	0	110.1	E163 T241 Q243 I306 Q307	E163-T165 PolarHBondContact O-N 2.85Å; T165-T241 HydrophobicContact CG2-CG2 3.49Å; T165-T241 VanDerWaalsContact CG2-CG2 3.49Å; T165-Q243 VanDerWaalsContact OG1-CG 3.28Å; T165-Q243 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q243 PolarHBondContact OG1-NE2 2.75Å; T165-I306 WeakPolarHBondContact O-CA 3.46Å; T165-Q307 PolarHBondContact N-O 3.31Å; T165-Q307 PolarHBondContact O-N 3.25Å
166	K	98.7	Very high	98	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.065	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.8	176.8	-60.9	161.7	-66.7	-176.6	0	109.9	F159 V164 Y168 T241 S242 Y244 E305 I306	F159-K166 HydrophobicContact CE1-CD 4.12Å; V164-K166 HydrophobicContact CG1-CG 4.33Å; K166-Y168 HydrophobicContact CB-CE2 3.66Å; K166-Y168 WeakPolarHBondContact CD-OH 2.9Å; K166-T241 WeakPolarHBondContact O-CA 3.19Å; K166-S242 WeakPolarHBondContact CE-O 3.13Å; K166-S242 PolarHBondContact N-O 3.05Å; K166-S242 PolarHBondContact O-N 3.2Å; K166-Y244 PolarHBondContact NZ-O 3.2Å; K166-E305 WeakPolarHBondContact CA-O 3.5Å; K166-I306 HydrophobicContact CG-CG1 4.39Å
167	K	98.7	Very high	97.9	Very high	45 Å²	45	46.2 Å²	46.2	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.2	170.1	-58.9	-171.2	161.8	-150.2	0	110.5	E239 C240 T241 A303 S304 E305	K167-E239 WeakPolarHBondContact CE-OE1 3.32Å; K167-E239 IonicContact NZ-OE1 3.51Å; K167-E239 PolarHBondContact NZ-OE1 2.84Å; K167-E239 IonicContact NZ-OE2 3.48Å; K167-C240 CarbonylContact C-O 3.54Å; K167-C240 WeakPolarHBondContact CA-O 3.31Å; K167-T241 HydrophobicContact CG-CG2 4.31Å; K167-A303 CarbonylContact O-C 3.55Å; K167-S304 PolarHBondContact O-N 3.05Å; K167-S304 PolarHBondContact O-OG 3.31Å; K167-E305 HydrophobicContact CB-CB 3.9Å; K167-E305 HydrophobicContact CB-CG 4.21Å; K167-E305 HydrophobicContact CD-CB 4.17Å; K167-E305 HydrophobicContact CD-CG 4.23Å; K167-E305 HydrophobicContact CG-CB 4.18Å; K167-E305 PolarHBondContact N-O 3.14Å; K167-E305 PolarHBondContact O-N 3.04Å
168	Y	98.8	Very high	97.9	Very high	25 Å²	25	46.8 Å²	46.8	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.5	177.6	-58.7	-97.8	0	0	0	109.5	L135 K166 E239 C240 I250 L301 H302 A303	L135-Y168 HydrophobicContact CD2-CE1 4.24Å; K166-Y168 HydrophobicContact CB-CE2 3.66Å; K166-Y168 WeakPolarHBondContact CD-OH 2.9Å; Y168-E239 CarbonylContact O-C 3.29Å; Y168-E239 VanDerWaalsContact O-CA 3.32Å; Y168-E239 WeakPolarHBondContact O-CA 3.39Å; Y168-C240 PolarHBondContact N-O 2.99Å; Y168-C240 PolarHBondContact O-N 3.16Å; Y168-I250 HydrophobicContact CD2-CD1 4.11Å; Y168-I250 HydrophobicContact CD2-CG1 3.95Å; Y168-I250 HydrophobicContact CE2-CD1 4.37Å; Y168-I250 HydrophobicContact CE2-CG1 4.19Å; Y168-I250 HydrophobicContact CG-CG1 4.16Å; Y168-L301 HydrophobicContact CD1-CD1 4.32Å; Y168-H302 CarbonylContact C-O 3.43Å; Y168-H302 WeakPolarHBondContact CA-O 3.29Å; Y168-A303 HydrophobicContact CD1-CB 3.83Å; Y168-A303 HydrophobicContact CE1-CB 3.7Å
169	L	98.6	Very high	97.9	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.2	168.7	-164.2	68	0	0	0	109.3	L237 H302 I323 F327	L169-L237 HydrophobicContact CD1-CD1 3.62Å; L169-L237 HydrophobicContact CD1-CD2 4.21Å; L169-L237 HydrophobicContact CD1-CG 3.77Å; L169-L237 HydrophobicContact CD2-CD1 3.88Å; L169-L237 HydrophobicContact CG-CD1 3.58Å; L169-L237 HydrophobicContact CG-CG 4.31Å; L169-H302 PolarHBondContact N-O 3.15Å; L169-H302 PolarHBondContact O-N 2.96Å; L169-I323 HydrophobicContact CD2-CD1 3.33Å; L169-I323 HydrophobicContact CD2-CG1 3.9Å; L169-F327 HydrophobicContact CG-CZ 4.41Å
170	C	98.3	Very high	98	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151	179	57.7	0	0	0	0	112.8	L237 V238 L254 V262 Y300 L301	C170-L237 WeakPolarHBondContact O-CA 3.39Å; C170-V238 PolarHBondContact N-O 3.28Å; C170-V238 PolarHBondContact O-N 2.93Å; C170-V238 PolarHBondContact SG-O 3.09Å; C170-L254 HydrophobicContact CB-CD1 4.38Å; C170-L254 WeakPolarHBondContact SG-CD1 3.35Å; C170-V262 HydrophobicContact CB-CG2 4.13Å; C170-Y300 WeakPolarHBondContact CA-O 3.35Å; C170-Y300 WeakPolarHBondContact CB-O 3.33Å; C170-L301 HydrophobicContact CB-CD1 3.89Å
171	L	98.2	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.9	167.2	-63.4	178.8	0	0	0	108.8	A236 L237 V262 I263 Y300 F327 T330 I331 L334 L336	L171-A236 CarbonylContact C-O 3.6Å; L171-A236 WeakPolarHBondContact CA-O 3.46Å; L171-L237 HydrophobicContact CD2-CB 4.25Å; L171-L237 HydrophobicContact CD2-CD1 3.65Å; L171-V262 CarbonylContact O-C 3.52Å; L171-V262 VanDerWaalsContact O-CA 3.31Å; L171-V262 WeakPolarHBondContact O-CA 3.49Å; L171-I263 HydrophobicContact CB-CB 4.42Å; L171-I263 HydrophobicContact CB-CD1 4.07Å; L171-I263 HydrophobicContact CB-CG1 4.33Å; L171-I263 PolarHBondContact O-N 3.17Å; L171-Y300 HydrophobicContact CB-CG 4.31Å; L171-Y300 HydrophobicContact CD1-CD1 3.86Å; L171-Y300 HydrophobicContact CD1-CD2 4.36Å; L171-Y300 HydrophobicContact CD1-CE1 4.47Å; L171-Y300 HydrophobicContact CD1-CG 3.8Å; L171-Y300 HydrophobicContact CG-CG 4.32Å; L171-Y300 PolarHBondContact N-O 3.28Å; L171-F327 HydrophobicContact CD1-CD1 4.25Å; L171-F327 HydrophobicContact CD1-CE1 3.98Å; L171-F327 HydrophobicContact CD2-CE1 4.13Å; L171-F327 HydrophobicContact CG-CD1 4.34Å; L171-F327 HydrophobicContact CG-CE1 3.58Å; L171-F327 HydrophobicContact CG-CZ 4.04Å; L171-T330 HydrophobicContact CD1-CG2 3.69Å; L171-I331 HydrophobicContact CD1-CG1 4.31Å; L171-I331 HydrophobicContact CD2-CG1 4.01Å; L171-L334 HydrophobicContact CD1-CD1 4.21Å; L171-L336 HydrophobicContact CD2-CD1 3.62Å
172	T	98.6	Very high	98.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.2	179.9	58.4	0	0	0	0	111.6	M174 C235 A236 V238 L254 T260	T172-M174 PolarHBondContact OG1-O 3.05Å; T172-C235 VanDerWaalsContact O-CA 3.24Å; T172-C235 WeakPolarHBondContact O-CA 3.41Å; T172-C235 WeakPolarHBondContact O-CB 3.34Å; T172-A236 PolarHBondContact N-O 3.08Å; T172-A236 PolarHBondContact O-N 2.78Å; T172-A236 PolarHBondContact OG1-O 2.96Å; T172-V238 HydrophobicContact CG2-CB 4.26Å; T172-V238 HydrophobicContact CG2-CG2 3.76Å; T172-L254 HydrophobicContact CG2-CD1 4.08Å; T172-T260 WeakPolarHBondContact CB-O 3.25Å; T172-T260 WeakPolarHBondContact CG2-O 3.47Å
173	K	97.2	Very high	98.1	Very high	51 Å²	51	41.8 Å²	41.8	22%	0.222	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.2	157.9	179	-163.7	161.6	175.6	0	107.1	T260 P261 Q277 R278 L279	K173-T260 CarbonylContact O-C 3.43Å; K173-T260 WeakPolarHBondContact O-CA 3.38Å; K173-T260 WeakPolarHBondContact O-CB 3.38Å; K173-P261 HydrophobicContact CB-CG 4.2Å; K173-P261 WeakPolarHBondContact CB-O 3.42Å; K173-P261 HydrophobicContact CD-CG 4.2Å; K173-P261 PolarHBondContact N-O 2.73Å; K173-Q277 HydrophobicContact CD-CG 4.27Å; K173-R278 WeakPolarHBondContact CD-O 3.47Å; K173-R278 WeakPolarHBondContact CE-O 3.47Å; K173-R278 PolarHBondContact NZ-O 3.48Å; K173-L279 HydrophobicContact CB-CD2 4.14Å; K173-L279 HydrophobicContact CD-CD2 4.46Å; K173-L279 HydrophobicContact CG-CD2 4.11Å
174	M	97.7	Very high	98	Very high	74 Å²	74	44.3 Å²	44.3	37%	0.365	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	61.6	168.7	-169.9	-52.9	-57.1	-69.7	0	0	112.4	T172 K234 T260 P280	T172-M174 PolarHBondContact OG1-O 3.05Å; M174-K234 WeakPolarHBondContact CA-O 3.23Å; M174-K234 HydrophobicContact CE-CG 4.38Å; M174-K234 PolarHBondContact N-O 2.9Å; M174-K234 HydrophobicContact SD-CB 3.91Å; M174-K234 HydrophobicContact SD-CD 4.38Å; M174-K234 HydrophobicContact SD-CG 4.28Å; M174-T260 HydrophobicContact CB-CG2 3.98Å; M174-P280 HydrophobicContact SD-CG 4.04Å
175	V	97.9	Very high	97.8	Very high	28 Å²	28	46.1 Å²	46.1	17%	0.17	25%	0.248	C	C	.	.			trans	-97.5	130.4	174	-176.3	0	0	0	0	107.6	E177 L179 V228 E231 A236	V175-E177 PolarHBondContact O-N 2.69Å; V175-L179 HydrophobicContact CG1-CD2 3.55Å; V175-V228 HydrophobicContact CG1-CG2 4.26Å; V175-E231 HydrophobicContact CG1-CB 4.06Å; V175-E231 VanDerWaalsContact CG1-OE2 3.24Å; V175-E231 WeakPolarHBondContact CG1-OE2 3.3Å; V175-E231 HydrophobicContact CG2-CB 3.85Å; V175-A236 HydrophobicContact CG1-CB 4.38Å; V175-A236 HydrophobicContact CG2-CB 4.37Å
176	P	98.1	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.			trans	-52.3	134.3	168.6	-29	35.8	0	0	0	112.6	P178 Y226 V228 V238 L258 T260	P176-P178 CarbonylContact C-O 3.6Å; P176-P178 VanDerWaalsContact C-O 3.26Å; P176-P178 CarbonylContact O-C 3.1Å; P176-Y226 HydrophobicContact CB-CD2 4.18Å; P176-Y226 HydrophobicContact CB-CE2 3.73Å; P176-V228 HydrophobicContact CB-CG2 4Å; P176-V228 HydrophobicContact CG-CG2 3.78Å; P176-V238 HydrophobicContact CG-CG2 3.89Å; P176-L258 HydrophobicContact CB-CD1 4.19Å; P176-L258 HydrophobicContact CG-CD1 4.49Å; P176-T260 HydrophobicContact CG-CG2 4.43Å
177	E	96.2	Very high	97.3	Very high	173 Å²	173	44.5 Å²	44.5	81%	0.808	24%	0.24	S	C	*	.	S	Bend	trans	-122.7	120.4	169	-71.6	-179.6	-168.8	0	0	108.6	V175	V175-E177 PolarHBondContact O-N 2.69Å
178	P	97.7	Very high	97.1	Very high	88 Å²	88	42.3 Å²	42.3	57%	0.571	23%	0.23	S	C	*	.	S	Bend	cis	-64.5	167.6	-4.9	29.2	-36.2	0	0	0	113.8	P176 S180 Y226	P176-P178 CarbonylContact C-O 3.6Å; P176-P178 VanDerWaalsContact C-O 3.26Å; P176-P178 CarbonylContact O-C 3.1Å; P178-S180 WeakPolarHBondContact CG-O 3.44Å; P178-S180 PolarHBondContact O-N 3.37Å; P178-Y226 VanDerWaalsContact O-CE2 3.28Å; P178-Y226 WeakPolarHBondContact O-CE2 3.3Å; P178-Y226 PolarHBondContact O-OH 3.34Å
179	L	98	Very high	96.8	Very high	88 Å²	88	42.9 Å²	42.9	46%	0.461	23%	0.234	S	C	.	.	S	Bend	trans	-66.6	-21.6	-178.8	-63.9	-177.5	0	0	0	113.8	V175 V228 E231	V175-L179 HydrophobicContact CG1-CD2 3.55Å; L179-V228 HydrophobicContact CB-CB 4.26Å; L179-V228 HydrophobicContact CB-CG2 4.37Å; L179-V228 HydrophobicContact CD2-CB 4.27Å; L179-V228 HydrophobicContact CD2-CG1 4.37Å; L179-V228 HydrophobicContact CD2-CG2 4.11Å; L179-V228 WeakPolarHBondContact O-CB 3.3Å; L179-V228 VanDerWaalsContact O-CG2 3.28Å; L179-V228 WeakPolarHBondContact O-CG2 3.38Å; L179-V228 PolarHBondContact O-N 2.77Å; L179-E231 WeakPolarHBondContact CD2-OE2 3.4Å
180	S	98.5	Very high	96.5	Very high	73 Å²	73	44.3 Å²	44.3	51%	0.51	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.1	173.1	65.6	0	0	0	0	110	P178 Y226	P178-S180 WeakPolarHBondContact CG-O 3.44Å; P178-S180 PolarHBondContact O-N 3.37Å; S180-Y226 VanDerWaalsContact CA-O 3.25Å; S180-Y226 WeakPolarHBondContact CA-O 3.33Å; S180-Y226 WeakPolarHBondContact CB-O 3.42Å
181	G	98.3	Very high	96.1	Very high	24 Å²	24	51 Å²	51	25%	0.247	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-176.8	-178.7	0	0	0	0	0	113.7	K225 Y226	G181-K225 CarbonylContact O-C 3.56Å; G181-K225 WeakPolarHBondContact O-CA 3.37Å; G181-Y226 VanDerWaalsContact C-CE1 3.47Å; G181-Y226 PolarHBondContact N-O 3.28Å; G181-Y226 VanDerWaalsContact O-CD1 3.27Å; G181-Y226 WeakPolarHBondContact O-CD1 3.46Å; G181-Y226 PolarHBondContact O-N 2.79Å
182	T	98.5	Very high	95.5	Very high	77 Å²	77	52.1 Å²	52.1	47%	0.472	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.5	178.1	-59	0	0	0	0	109.7	E223 K225	T182-E223 HydrophobicContact CG2-CG 3.38Å; T182-K225 HydrophobicContact CG2-CG 4.28Å
183	I	97.4	Very high	94.7	Very high	14 Å²	14	55 Å²	55	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.4	173.9	-51	161.5	0	0	0	107.3	V185 E223 T224 Y226 H253 L258	I183-V185 HydrophobicContact CG2-CG1 4.47Å; I183-V185 HydrophobicContact CG2-CG2 3.96Å; I183-E223 CarbonylContact O-C 3.6Å; I183-E223 WeakPolarHBondContact O-CA 3.33Å; I183-T224 PolarHBondContact N-O 3.14Å; I183-T224 PolarHBondContact O-N 2.9Å; I183-Y226 HydrophobicContact CD1-CD1 3.92Å; I183-Y226 HydrophobicContact CD1-CE1 4.1Å; I183-Y226 HydrophobicContact CG1-CD1 3.95Å; I183-Y226 HydrophobicContact CG1-CE1 3.83Å; I183-H253 HydrophobicContact CD1-CB 3.73Å; I183-H253 HydrophobicContact CG2-CB 4.33Å; I183-L258 HydrophobicContact CD1-CD1 3.71Å; I183-L258 HydrophobicContact CD1-CD2 4Å; I183-L258 HydrophobicContact CD1-CG 3.56Å; I183-L258 HydrophobicContact CG1-CD2 4.17Å; I183-L258 HydrophobicContact CG1-CG 4.29Å
184	K	96.5	Very high	94.1	Very high	115 Å²	115	55.3 Å²	55.3	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	91.9	179.3	-171.5	177.5	-172.2	161.9	0	109.7	L221 V222 E223	K184-L221 HydrophobicContact CG-CD1 4.24Å; K184-V222 WeakPolarHBondContact CA-O 3.24Å; K184-E223 HydrophobicContact CB-CG 4.18Å; K184-E223 WeakPolarHBondContact CD-OE2 3.18Å; K184-E223 HydrophobicContact CG-CB 4.41Å; K184-E223 HydrophobicContact CG-CG 4.34Å; K184-E223 IonicContact NZ-OE2 3.94Å
185	V	92.7	Very high	93.5	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.8	-177.1	-66	0	0	0	0	110.2	I183 I187 P200 V222	I183-V185 HydrophobicContact CG2-CG1 4.47Å; I183-V185 HydrophobicContact CG2-CG2 3.96Å; V185-I187 HydrophobicContact CG2-CG2 4.18Å; V185-I187 PolarHBondContact O-N 2.64Å; V185-P200 HydrophobicContact CG2-CB 4.05Å; V185-V222 PolarHBondContact N-O 3.41Å; V185-V222 WeakPolarHBondContact O-CG2 3.28Å; V185-V222 PolarHBondContact O-N 2.9Å
186	P	93.3	Very high	93.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.5	168.5	26.6	-28.6	0	0	0	109.9	L201 I203 Y212 R220 L221	P186-L201 HydrophobicContact CG-CB 4.27Å; P186-L201 PolarHBondContact O-N 3.08Å; P186-I203 HydrophobicContact CG-CG1 3.99Å; P186-Y212 HydrophobicContact CB-CD1 4.29Å; P186-Y212 HydrophobicContact CB-CE1 3.39Å; P186-Y212 WeakPolarHBondContact CB-OH 3.3Å; P186-Y212 HydrophobicContact CG-CD1 4.33Å; P186-Y212 HydrophobicContact CG-CE1 3.45Å; P186-Y212 VanDerWaalsContact CG-CE1 3.45Å; P186-R220 WeakPolarHBondContact CA-O 3.32Å; P186-L221 HydrophobicContact CB-CD1 4.5Å
187	I	94.1	Very high	92.8	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.5	174.2	71.8	173.1	0	0	0	110.8	V185 M198 V199 A219 R220 V222 A246 Q249 T252	V185-I187 HydrophobicContact CG2-CG2 4.18Å; V185-I187 PolarHBondContact O-N 2.64Å; I187-M198 HydrophobicContact CD1-CE 4.22Å; I187-M198 HydrophobicContact CG1-CE 4.05Å; I187-V199 VanDerWaalsContact CA-O 3.3Å; I187-V199 WeakPolarHBondContact CA-O 3.34Å; I187-A219 CarbonylContact O-C 3.58Å; I187-A219 VanDerWaalsContact O-CA 3.23Å; I187-A219 WeakPolarHBondContact O-CA 3.26Å; I187-A219 WeakPolarHBondContact O-CB 3.15Å; I187-R220 PolarHBondContact N-O 3.24Å; I187-R220 PolarHBondContact O-N 3.07Å; I187-V222 HydrophobicContact CB-CG2 4.42Å; I187-V222 HydrophobicContact CD1-CG2 3.89Å; I187-V222 HydrophobicContact CG1-CG2 3.77Å; I187-V222 HydrophobicContact CG2-CG2 3.94Å; I187-A246 HydrophobicContact CD1-CB 3.67Å; I187-A246 HydrophobicContact CG1-CB 4.18Å; I187-Q249 HydrophobicContact CD1-CB 4.15Å; I187-Q249 HydrophobicContact CD1-CG 4.29Å; I187-T252 HydrophobicContact CG2-CG2 4.27Å
188	G	93.3	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.6	177.3	0	0	0	0	0	112	M198 V199	G188-M198 CarbonylContact O-C 3.52Å; G188-M198 WeakPolarHBondContact O-CA 3.48Å; G188-V199 PolarHBondContact N-O 3.12Å; G188-V199 VanDerWaalsContact N-O 3.09Å; G188-V199 PolarHBondContact O-N 3.3Å
189	E	93.3	Very high	92.5	Very high	36 Å²	36	47.2 Å²	47.2	17%	0.168	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.5	-177.7	-167.1	161.9	-113.3	0	0	111.1	F196 K197 M198 C215 I216 K247	E189-F196 HydrophobicContact CG-CB 4.03Å; E189-F196 HydrophobicContact CG-CD1 4.29Å; E189-K197 CarbonylContact C-O 3.44Å; E189-K197 WeakPolarHBondContact CA-O 3.4Å; E189-M198 HydrophobicContact CB-SD 3.66Å; E189-M198 HydrophobicContact CG-SD 4.15Å; E189-C215 CarbonylContact O-C 3.46Å; E189-C215 VanDerWaalsContact O-CA 3.27Å; E189-C215 WeakPolarHBondContact O-CA 3.43Å; E189-I216 HydrophobicContact CB-CB 4.44Å; E189-I216 PolarHBondContact O-N 3.28Å; E189-K247 IonicContact OE1-NZ 3.43Å; E189-K247 PolarHBondContact OE1-NZ 2.67Å
190	K	91.8	Very high	92.2	Very high	50 Å²	50	45 Å²	45	22%	0.217	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.4	171.1	-65.4	-162.6	-179	177.2	0	110.2	I192 F196 K197 V199 G214	K190-I192 HydrophobicContact CB-CD1 4.16Å; K190-I192 HydrophobicContact CB-CG1 4.03Å; K190-F196 CarbonylContact O-C 3.55Å; K190-F196 WeakPolarHBondContact O-CA 3.45Å; K190-K197 PolarHBondContact N-O 3.34Å; K190-K197 PolarHBondContact O-N 2.75Å; K190-V199 HydrophobicContact CB-CG2 4.28Å; K190-V199 HydrophobicContact CD-CG2 3.72Å; K190-V199 HydrophobicContact CG-CG2 3.67Å; K190-G214 WeakPolarHBondContact CG-O 3.24Å
191	K	89.5	Confident	91.8	Very high	140 Å²	140	42.1 Å²	42.1	61%	0.609	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88	110.2	168.6	-168.2	175.9	-176.3	-179.3	0	108.5	N195 F196 I216	K191-N195 WeakPolarHBondContact CA-O 3.45Å; K191-F196 HydrophobicContact CB-CD1 4.46Å; K191-F196 HydrophobicContact CB-CE1 4.43Å; K191-I216 HydrophobicContact CB-CD1 4.05Å
192	I	86.1	Confident	90.8	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.118	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.7	-177.9	-57.7	173.1	0	0	0	108.2	K190 G194 N195 V199 Y271	K190-I192 HydrophobicContact CB-CD1 4.16Å; K190-I192 HydrophobicContact CB-CG1 4.03Å; I192-G194 VanDerWaalsContact C-N 3.26Å; I192-G194 PolarHBondContact O-N 2.73Å; I192-N195 PolarHBondContact N-O 2.98Å; I192-N195 PolarHBondContact O-N 2.67Å; I192-V199 HydrophobicContact CD1-CG1 3.66Å; I192-Y271 HydrophobicContact CD1-CE1 4.38Å; I192-Y271 HydrophobicContact CD1-CE2 4.17Å; I192-Y271 WeakPolarHBondContact CG2-O 3.48Å
193	G	82.8	Confident	89.2	Confident	62 Å²	62	50.9 Å²	50.9	64%	0.639	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	44	-178.3	0	0	0	0	0	112.6	N195	G193-N195 PolarHBondContact O-N 3.1Å; G193-N195 VanDerWaalsContact O-N 3.16Å; G193-N195 PolarHBondContact O-ND2 3.46Å; G193-N195 VanDerWaalsContact O-ND2 3.09Å
194	G	83.4	Confident	87.2	Confident	56 Å²	56	55.4 Å²	55.4	58%	0.577	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	-9.8	-177.8	0	0	0	0	0	115.9	I192	I192-G194 VanDerWaalsContact C-N 3.26Å; I192-G194 PolarHBondContact O-N 2.73Å
195	N	86	Confident	84.8	Confident	75 Å²	75	57.5 Å²	57.5	40%	0.401	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.5	-173.6	-69.9	-74.5	0	0	0	112.5	K191 I192 G193 K197	K191-N195 WeakPolarHBondContact CA-O 3.45Å; I192-N195 PolarHBondContact N-O 2.98Å; I192-N195 PolarHBondContact O-N 2.67Å; G193-N195 PolarHBondContact O-N 3.1Å; G193-N195 VanDerWaalsContact O-N 3.16Å; G193-N195 PolarHBondContact O-ND2 3.46Å; G193-N195 VanDerWaalsContact O-ND2 3.09Å; N195-K197 PolarHBondContact O-N 2.84Å
196	F	90.6	Very high	82.5	Confident	100 Å²	100	59.6 Å²	59.6	44%	0.439	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.2	170.7	-61.8	-79.6	0	0	0	110.7	E189 K190 K191 I216 K267	E189-F196 HydrophobicContact CG-CB 4.03Å; E189-F196 HydrophobicContact CG-CD1 4.29Å; K190-F196 CarbonylContact O-C 3.55Å; K190-F196 WeakPolarHBondContact O-CA 3.45Å; K191-F196 HydrophobicContact CB-CD1 4.46Å; K191-F196 HydrophobicContact CB-CE1 4.43Å; F196-I216 HydrophobicContact CD1-CD1 3.62Å; F196-I216 HydrophobicContact CE1-CD1 3.55Å; F196-K267 WeakPolarHBondContact O-CE 2.99Å; F196-K267 PolarHBondContact O-NZ 2.81Å
197	K	91.3	Very high	80.1	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.009	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.5	-178.2	-167.7	-178.1	-66.7	-177.6	0	109.8	E189 K190 N195 V199 L256 K267 Y268 N270 Y271 G273	E189-K197 CarbonylContact C-O 3.44Å; E189-K197 WeakPolarHBondContact CA-O 3.4Å; K190-K197 PolarHBondContact N-O 3.34Å; K190-K197 PolarHBondContact O-N 2.75Å; N195-K197 PolarHBondContact O-N 2.84Å; K197-V199 HydrophobicContact CD-CG1 4.47Å; K197-V199 HydrophobicContact CG-CG1 4.43Å; K197-L256 HydrophobicContact CD-CD1 4.14Å; K197-K267 WeakPolarHBondContact CE-O 3.3Å; K197-K267 PolarHBondContact NZ-O 3.45Å; K197-Y268 HydrophobicContact CD-CD1 4.42Å; K197-Y268 HydrophobicContact CD-CE1 4.33Å; K197-Y268 HydrophobicContact CG-CD1 4.22Å; K197-Y268 HydrophobicContact CG-CE1 3.65Å; K197-N270 PolarHBondContact NZ-O 3.41Å; K197-Y271 PolarHBondContact NZ-O 2.77Å; K197-G273 PolarHBondContact NZ-O 2.81Å; K197-G273 VanDerWaalsContact NZ-O 3.08Å
198	M	93.8	Very high	77.6	Confident	17 Å²	17	78 Å²	78	8%	0.084	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.8	168.2	-59.4	-59	-59.6	0	0	108.8	I187 G188 E189 K247 H248 T252 Y268	I187-M198 HydrophobicContact CD1-CE 4.22Å; I187-M198 HydrophobicContact CG1-CE 4.05Å; G188-M198 CarbonylContact O-C 3.52Å; G188-M198 WeakPolarHBondContact O-CA 3.48Å; E189-M198 HydrophobicContact CB-SD 3.66Å; E189-M198 HydrophobicContact CG-SD 4.15Å; M198-K247 HydrophobicContact CG-CB 4.19Å; M198-K247 HydrophobicContact CG-CD 4.34Å; M198-K247 HydrophobicContact CG-CG 4.2Å; M198-K247 WeakPolarHBondContact CG-O 3.47Å; M198-K247 HydrophobicContact SD-CB 4.3Å; M198-K247 HydrophobicContact SD-CD 4.23Å; M198-H248 HydrophobicContact CG-CB 4.41Å; M198-T252 HydrophobicContact CB-CG2 4.48Å; M198-T252 WeakPolarHBondContact CB-OG1 3.45Å; M198-Y268 HydrophobicContact CB-CE1 4.3Å; M198-Y268 PolarHBondContact N-OH 3.1Å; M198-Y268 VanDerWaalsContact O-CE1 3.3Å; M198-Y268 WeakPolarHBondContact O-CE1 3.37Å
199	V	93.4	Very high	75.5	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.8	-179.8	-63.4	0	0	0	0	110.4	I187 G188 K190 I192 K197 L201 L256 Y271	I187-V199 VanDerWaalsContact CA-O 3.3Å; I187-V199 WeakPolarHBondContact CA-O 3.34Å; G188-V199 PolarHBondContact N-O 3.12Å; G188-V199 VanDerWaalsContact N-O 3.09Å; G188-V199 PolarHBondContact O-N 3.3Å; K190-V199 HydrophobicContact CB-CG2 4.28Å; K190-V199 HydrophobicContact CD-CG2 3.72Å; K190-V199 HydrophobicContact CG-CG2 3.67Å; I192-V199 HydrophobicContact CD1-CG1 3.66Å; K197-V199 HydrophobicContact CD-CG1 4.47Å; K197-V199 HydrophobicContact CG-CG1 4.43Å; V199-L201 HydrophobicContact CG2-CD2 3.79Å; V199-L256 HydrophobicContact CG1-CD1 4.08Å; V199-Y271 HydrophobicContact CB-CE2 4.32Å; V199-Y271 HydrophobicContact CG1-CD2 4.48Å; V199-Y271 HydrophobicContact CG1-CE2 3.87Å
200	P	92.5	Very high	73.4	Confident	40 Å²	40	89 Å²	89	26%	0.26	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.4	166	29.8	-33.7	0	0	0	109	V185 L256	V185-P200 HydrophobicContact CG2-CB 4.05Å; P200-L256 HydrophobicContact CG-CB 4.22Å
201	L	89.9	Confident	71.4	Confident	14 Å²	14	96 Å²	96	7%	0.073	52%	0.523	C	S	.	.			trans	-109.3	134.9	-178.9	-55.4	173.2	0	0	0	108.6	P186 V199 Y212 C215 A219	P186-L201 HydrophobicContact CG-CB 4.27Å; P186-L201 PolarHBondContact O-N 3.08Å; V199-L201 HydrophobicContact CG2-CD2 3.79Å; L201-Y212 HydrophobicContact CB-CD1 3.86Å; L201-Y212 HydrophobicContact CB-CE1 4.46Å; L201-Y212 HydrophobicContact CD1-CD1 3.66Å; L201-Y212 HydrophobicContact CD1-CD2 4.4Å; L201-Y212 HydrophobicContact CD1-CE1 4.45Å; L201-Y212 HydrophobicContact CD1-CG 3.62Å; L201-Y212 HydrophobicContact CG-CD1 4.41Å; L201-C215 HydrophobicContact CD1-CB 4.41Å; L201-A219 HydrophobicContact CD1-CB 3.31Å
202	L	77	Confident	70.1	Confident	160 Å²	160	93.1 Å²	93.1	84%	0.838	51%	0.509	S	S	*	.			trans	-69.5	132.4	169.9	-65.2	171.3	0	0	0	108.6	T204	L202-T204 PolarHBondContact O-N 2.91Å
203	I	64.8	Low	68.8	Low	125 Å²	125	102.7 Å²	102.7	64%	0.641	54%	0.544	S	S	*	.			trans	-73.8	106.1	167	-58.8	174.4	0	0	0	105.1	P186 D205	P186-I203 HydrophobicContact CG-CG1 3.99Å; I203-D205 PolarHBondContact O-N 2.94Å
204	T	55.4	Low	68.1	Low	109 Å²	109	102.7 Å²	102.7	67%	0.669	54%	0.543	S	S	*	.			trans	-71.6	123.8	171.1	49	0	0	0	0	108.4	L202 G206	L202-T204 PolarHBondContact O-N 2.91Å; T204-G206 PolarHBondContact O-N 3.35Å
205	D	45.2	Very low	67.9	Low	159 Å²	159	101.5 Å²	101.5	85%	0.85	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	130.6	-179.4	-67.7	-40.7	0	0	0	112.8	I203 K207	I203-D205 PolarHBondContact O-N 2.94Å; D205-K207 PolarHBondContact O-N 2.86Å
206	G	44.5	Very low	67.7	Low	81 Å²	81	101.5 Å²	101.5	84%	0.835	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	0.5	147.2	0	0	0	0	0	120.4	T204	T204-G206 PolarHBondContact O-N 3.35Å
207	K	42.6	Very low	67.3	Low	182 Å²	182	99.7 Å²	99.7	79%	0.791	53%	0.534	S	S	*	.			trans	-117.8	102.4	176.3	-67.3	-169.6	-179	-177.4	0	113.5	D205 K209 G210	D205-K207 PolarHBondContact O-N 2.86Å; K207-K209 PolarHBondContact O-N 2.77Å; K207-G210 WeakPolarHBondContact O-CA 3.48Å; K207-G210 PolarHBondContact O-N 3.41Å; K207-G210 VanDerWaalsContact O-N 3.16Å
208	K	43.4	Very low	66.9	Low	208 Å²	208	107.2 Å²	107.2	90%	0.904	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	0.3	110.7	160.2	-69.9	179.2	175.7	178	0	114.7	G210	K208-G210 WeakPolarHBondContact O-CA 3.28Å; K208-G210 PolarHBondContact O-N 3.29Å
209	K	48.2	Very low	66.7	Low	226 Å²	226	107.3 Å²	107.3	98%	0.983	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	38.7	40	171.6	-68.7	-176.1	175.3	178.7	0	112.8	K207 K211	K207-K209 PolarHBondContact O-N 2.77Å; K209-K211 PolarHBondContact O-N 2.96Å
210	G	48.4	Very low	66.6	Low	40 Å²	40	114 Å²	114	41%	0.412	60%	0.598	S	S	.	*			trans	-70	128.4	-166.2	0	0	0	0	0	111.2	K207 K208 Y212	K207-G210 WeakPolarHBondContact O-CA 3.48Å; K207-G210 PolarHBondContact O-N 3.41Å; K207-G210 VanDerWaalsContact O-N 3.16Å; K208-G210 WeakPolarHBondContact O-CA 3.28Å; K208-G210 PolarHBondContact O-N 3.29Å; G210-Y212 PolarHBondContact O-N 2.93Å
211	K	51.7	Low	66.6	Low	196 Å²	196	116 Å²	116	85%	0.852	61%	0.606	S	S	*	*			trans	-41.4	116.6	168.3	-69.2	176.9	177	177.5	0	109	K209 R213	K209-K211 PolarHBondContact O-N 2.96Å; K211-R213 PolarHBondContact O-N 3.43Å
212	Y	61	Low	66.9	Low	81 Å²	81	115.5 Å²	115.5	32%	0.318	60%	0.604	S	S	.	*			trans	-59	111.2	171.3	-60.4	-88.8	0	0	0	108	P186 L201 G210 G214 C215 A219	P186-Y212 HydrophobicContact CB-CD1 4.29Å; P186-Y212 HydrophobicContact CB-CE1 3.39Å; P186-Y212 WeakPolarHBondContact CB-OH 3.3Å; P186-Y212 HydrophobicContact CG-CD1 4.33Å; P186-Y212 HydrophobicContact CG-CE1 3.45Å; P186-Y212 VanDerWaalsContact CG-CE1 3.45Å; L201-Y212 HydrophobicContact CB-CD1 3.86Å; L201-Y212 HydrophobicContact CB-CE1 4.46Å; L201-Y212 HydrophobicContact CD1-CD1 3.66Å; L201-Y212 HydrophobicContact CD1-CD2 4.4Å; L201-Y212 HydrophobicContact CD1-CE1 4.45Å; L201-Y212 HydrophobicContact CD1-CG 3.62Å; L201-Y212 HydrophobicContact CG-CD1 4.41Å; G210-Y212 PolarHBondContact O-N 2.93Å; Y212-G214 PolarHBondContact O-N 3.24Å; Y212-C215 PolarHBondContact O-N 2.96Å; Y212-C215 PolarHBondContact O-SG 3.37Å; Y212-A219 HydrophobicContact CD1-CB 4.36Å; Y212-A219 HydrophobicContact CD2-CB 3.27Å; Y212-A219 HydrophobicContact CE2-CB 3.55Å; Y212-A219 HydrophobicContact CG-CB 3.7Å
213	R	59.2	Low	67.9	Low	224 Å²	224	109.7 Å²	109.7	85%	0.845	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	130	-172.2	-79	-178.2	161.1	174.7	-6.3	110.5	K211 C215	K211-R213 PolarHBondContact O-N 3.43Å; R213-C215 PolarHBondContact O-N 3.14Å
214	G	68.3	Low	69.5	Low	61 Å²	61	103.8 Å²	103.8	63%	0.629	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	12.3	173.5	0	0	0	0	0	115.8	K190 Y212	K190-G214 WeakPolarHBondContact CG-O 3.24Å; Y212-G214 PolarHBondContact O-N 3.24Å
215	C	78.6	Confident	71.6	Confident	31 Å²	31	104.1 Å²	104.1	21%	0.209	53%	0.534	C	S	.	.			trans	-82.9	144.8	166.6	68.4	0	0	0	0	111.4	E189 L201 Y212 R213 G217	E189-C215 CarbonylContact O-C 3.46Å; E189-C215 VanDerWaalsContact O-CA 3.27Å; E189-C215 WeakPolarHBondContact O-CA 3.43Å; L201-C215 HydrophobicContact CD1-CB 4.41Å; Y212-C215 PolarHBondContact O-N 2.96Å; Y212-C215 PolarHBondContact O-SG 3.37Å; R213-C215 PolarHBondContact O-N 3.14Å; C215-G217 PolarHBondContact SG-O 3.28Å
216	I	82.3	Confident	74.1	Confident	76 Å²	76	97.2 Å²	97.2	39%	0.39	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.7	166.2	-62.6	153.2	0	0	0	106.4	E189 K191 F196	E189-I216 HydrophobicContact CB-CB 4.44Å; E189-I216 PolarHBondContact O-N 3.28Å; K191-I216 HydrophobicContact CB-CD1 4.05Å; F196-I216 HydrophobicContact CD1-CD1 3.62Å; F196-I216 HydrophobicContact CE1-CD1 3.55Å
217	G	81.4	Confident	76.7	Confident	61 Å²	61	98.5 Å²	98.5	63%	0.629	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	69.8	-161.5	-177.2	0	0	0	0	0	113.8	C215	C215-G217 PolarHBondContact SG-O 3.28Å
218	E	84.2	Confident	79.4	Confident	161 Å²	161	90.8 Å²	90.8	75%	0.752	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	129	-175.6	-65.1	-177.1	162.7	0	0	112.2
219	A	88.7	Confident	82	Confident	18 Å²	18	84.8 Å²	84.8	15%	0.149	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	154.5	164.8	0	0	0	0	0	110.9	I187 L201 Y212	I187-A219 CarbonylContact O-C 3.58Å; I187-A219 VanDerWaalsContact O-CA 3.23Å; I187-A219 WeakPolarHBondContact O-CA 3.26Å; I187-A219 WeakPolarHBondContact O-CB 3.15Å; L201-A219 HydrophobicContact CD1-CB 3.31Å; Y212-A219 HydrophobicContact CD1-CB 4.36Å; Y212-A219 HydrophobicContact CD2-CB 3.27Å; Y212-A219 HydrophobicContact CE2-CB 3.55Å; Y212-A219 HydrophobicContact CG-CB 3.7Å
220	R	90.6	Very high	84.3	Confident	140 Å²	140	78.2 Å²	78.2	53%	0.528	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129	-177.7	-64.3	-176.8	177.9	-162.1	-6.1	110.1	P186 I187 V222	P186-R220 WeakPolarHBondContact CA-O 3.32Å; I187-R220 PolarHBondContact N-O 3.24Å; I187-R220 PolarHBondContact O-N 3.07Å; R220-V222 HydrophobicContact CB-CG1 4.18Å; R220-V222 PolarHBondContact O-N 3.22Å
221	L	93.8	Very high	86.5	Confident	83 Å²	83	81 Å²	81	44%	0.435	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	119.2	166.7	-174.8	63.2	0	0	0	108.7	K184 P186	K184-L221 HydrophobicContact CG-CD1 4.24Å; P186-L221 HydrophobicContact CB-CD1 4.5Å
222	V	96.1	Very high	88.3	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.018	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.7	-178.1	-66.8	0	0	0	0	110.4	K184 V185 I187 R220 Y244 A246 Q249	K184-V222 WeakPolarHBondContact CA-O 3.24Å; V185-V222 PolarHBondContact N-O 3.41Å; V185-V222 WeakPolarHBondContact O-CG2 3.28Å; V185-V222 PolarHBondContact O-N 2.9Å; I187-V222 HydrophobicContact CB-CG2 4.42Å; I187-V222 HydrophobicContact CD1-CG2 3.89Å; I187-V222 HydrophobicContact CG1-CG2 3.77Å; I187-V222 HydrophobicContact CG2-CG2 3.94Å; R220-V222 HydrophobicContact CB-CG1 4.18Å; R220-V222 PolarHBondContact O-N 3.22Å; V222-Y244 HydrophobicContact CB-CD1 4.47Å; V222-Y244 HydrophobicContact CB-CG 4.41Å; V222-Y244 HydrophobicContact CG1-CD1 4.42Å; V222-A246 HydrophobicContact CG1-CB 3.84Å; V222-Q249 HydrophobicContact CB-CG 4.33Å; V222-Q249 HydrophobicContact CG2-CG 4.01Å
223	E	97.8	Very high	89.4	Confident	39 Å²	39	74.2 Å²	74.2	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.6	-178.9	-166.1	177.7	112.7	0	0	110.3	T182 I183 K184 S242 Y244 Q249	T182-E223 HydrophobicContact CG2-CG 3.38Å; I183-E223 CarbonylContact O-C 3.6Å; I183-E223 WeakPolarHBondContact O-CA 3.33Å; K184-E223 HydrophobicContact CB-CG 4.18Å; K184-E223 WeakPolarHBondContact CD-OE2 3.18Å; K184-E223 HydrophobicContact CG-CB 4.41Å; K184-E223 HydrophobicContact CG-CG 4.34Å; K184-E223 IonicContact NZ-OE2 3.94Å; E223-S242 WeakPolarHBondContact O-CB 3.41Å; E223-S242 PolarHBondContact O-OG 2.78Å; E223-Y244 HydrophobicContact CB-CD2 3.66Å; E223-Y244 HydrophobicContact CB-CE2 3.39Å; E223-Q249 PolarHBondContact O-NE2 2.98Å
224	T	98.6	Very high	91.1	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	120.1	171.2	-56.1	0	0	0	0	108.8	I183 C240 Q249 I250 H253	I183-T224 PolarHBondContact N-O 3.14Å; I183-T224 PolarHBondContact O-N 2.9Å; T224-C240 HydrophobicContact CG2-CB 3.85Å; T224-Q249 PolarHBondContact OG1-NE2 3.39Å; T224-I250 HydrophobicContact CG2-CD1 3.52Å; T224-H253 VanDerWaalsContact CB-ND1 3.31Å; T224-H253 WeakPolarHBondContact CB-ND1 3.39Å; T224-H253 PolarHBondContact OG1-CE1 2.74Å; T224-H253 PolarHBondContact OG1-ND1 3.11Å
225	K	98.8	Very high	92.5	Very high	116 Å²	116	64.7 Å²	64.7	50%	0.504	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138	166.8	-61.3	-174.5	177.5	180	0	107.8	G181 T182 C240 T241	G181-K225 CarbonylContact O-C 3.56Å; G181-K225 WeakPolarHBondContact O-CA 3.37Å; T182-K225 HydrophobicContact CG2-CG 4.28Å; K225-C240 CarbonylContact O-C 3.56Å; K225-C240 VanDerWaalsContact O-CA 3.29Å; K225-C240 WeakPolarHBondContact O-CA 3.41Å; K225-T241 PolarHBondContact N-O 3.48Å; K225-T241 PolarHBondContact O-N 3.29Å
226	Y	98.8	Very high	93.4	Very high	13 Å²	13	63.2 Å²	63.2	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.4	177	70.6	-88.9	0	0	0	110.6	P176 P178 S180 G181 I183 E239 L258	P176-Y226 HydrophobicContact CB-CD2 4.18Å; P176-Y226 HydrophobicContact CB-CE2 3.73Å; P178-Y226 VanDerWaalsContact O-CE2 3.28Å; P178-Y226 WeakPolarHBondContact O-CE2 3.3Å; P178-Y226 PolarHBondContact O-OH 3.34Å; S180-Y226 VanDerWaalsContact CA-O 3.25Å; S180-Y226 WeakPolarHBondContact CA-O 3.33Å; S180-Y226 WeakPolarHBondContact CB-O 3.42Å; G181-Y226 VanDerWaalsContact C-CE1 3.47Å; G181-Y226 PolarHBondContact N-O 3.28Å; G181-Y226 VanDerWaalsContact O-CD1 3.27Å; G181-Y226 WeakPolarHBondContact O-CD1 3.46Å; G181-Y226 PolarHBondContact O-N 2.79Å; I183-Y226 HydrophobicContact CD1-CD1 3.92Å; I183-Y226 HydrophobicContact CD1-CE1 4.1Å; I183-Y226 HydrophobicContact CG1-CD1 3.95Å; I183-Y226 HydrophobicContact CG1-CE1 3.83Å; Y226-E239 CarbonylContact C-O 3.6Å; Y226-E239 VanDerWaalsContact CA-O 3.24Å; Y226-E239 WeakPolarHBondContact CA-O 3.23Å; Y226-L258 HydrophobicContact CD1-CD1 4.03Å; Y226-L258 HydrophobicContact CD2-CD1 4.21Å; Y226-L258 HydrophobicContact CE1-CD1 3.83Å; Y226-L258 HydrophobicContact CE1-CD2 4.02Å; Y226-L258 HydrophobicContact CE1-CG 4.49Å; Y226-L258 HydrophobicContact CE2-CD1 4.02Å; Y226-L258 HydrophobicContact CG-CD1 4.2Å
227	E	98.6	Very high	94.2	Very high	108 Å²	108	60.3 Å²	60.3	51%	0.505	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	127.7	177.6	-174.8	175.7	178.6	0	0	109.6	I229 V238 E239	E227-I229 HydrophobicContact CG-CD1 4.49Å; E227-I229 PolarHBondContact O-N 3.48Å; E227-V238 CarbonylContact O-C 3.6Å; E227-V238 WeakPolarHBondContact O-CA 3.45Å; E227-E239 PolarHBondContact N-O 3.3Å; E227-E239 PolarHBondContact O-N 2.87Å
228	V	98.4	Very high	95	Very high	21 Å²	21	57.4 Å²	57.4	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.2	171.3	172.8	0	0	0	0	108.5	V175 P176 L179 E231 A236 V238	V175-V228 HydrophobicContact CG1-CG2 4.26Å; P176-V228 HydrophobicContact CB-CG2 4Å; P176-V228 HydrophobicContact CG-CG2 3.78Å; L179-V228 HydrophobicContact CB-CB 4.26Å; L179-V228 HydrophobicContact CB-CG2 4.37Å; L179-V228 HydrophobicContact CD2-CB 4.27Å; L179-V228 HydrophobicContact CD2-CG1 4.37Å; L179-V228 HydrophobicContact CD2-CG2 4.11Å; L179-V228 WeakPolarHBondContact O-CB 3.3Å; L179-V228 VanDerWaalsContact O-CG2 3.28Å; L179-V228 WeakPolarHBondContact O-CG2 3.38Å; L179-V228 PolarHBondContact O-N 2.77Å; V228-E231 HydrophobicContact CG1-CB 4.04Å; V228-A236 HydrophobicContact CG1-CB 4.02Å; V228-A236 HydrophobicContact CG2-CB 4.37Å; V228-V238 HydrophobicContact CG2-CG2 4.12Å
229	I	97.6	Very high	95.7	Very high	81 Å²	81	51.3 Å²	51.3	42%	0.415	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-41.1	177.1	-55.7	-57.2	0	0	0	110.6	E227 L237 E239	E227-I229 HydrophobicContact CG-CD1 4.49Å; E227-I229 PolarHBondContact O-N 3.48Å; I229-L237 HydrophobicContact CB-CD2 4.31Å; I229-L237 HydrophobicContact CB-CG 4.35Å; I229-L237 HydrophobicContact CG2-CD2 4.23Å; I229-L237 PolarHBondContact N-O 2.77Å; I229-E239 HydrophobicContact CD1-CB 3.85Å; I229-E239 HydrophobicContact CG1-CB 3.95Å
230	K	97	Very high	96.2	Very high	88 Å²	88	50.5 Å²	50.5	38%	0.383	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	130.8	177.9	-172.2	64.6	173.4	-179.4	0	109.6	A236 L237 L336	K230-A236 CarbonylContact O-C 3.54Å; K230-A236 WeakPolarHBondContact O-CA 3.48Å; K230-L237 HydrophobicContact CB-CB 4.32Å; K230-L237 PolarHBondContact N-O 2.77Å; K230-L237 PolarHBondContact O-N 3.27Å; K230-L336 HydrophobicContact CG-CB 4.45Å; K230-L336 HydrophobicContact CG-CD2 4.22Å
231	E	95	Very high	96.6	Very high	99 Å²	99	45.3 Å²	45.3	46%	0.463	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	159	170.4	58.6	175.5	-144.2	0	0	111.6	V175 L179 V228 A236	V175-E231 HydrophobicContact CG1-CB 4.06Å; V175-E231 VanDerWaalsContact CG1-OE2 3.24Å; V175-E231 WeakPolarHBondContact CG1-OE2 3.3Å; V175-E231 HydrophobicContact CG2-CB 3.85Å; L179-E231 WeakPolarHBondContact CD2-OE2 3.4Å; V228-E231 HydrophobicContact CG1-CB 4.04Å; E231-A236 HydrophobicContact CB-CB 4.42Å
232	G	89.3	Confident	96.8	Very high	18 Å²	18	41.6 Å²	41.6	19%	0.186	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	126.2	172	0	0	0	0	0	111.2	K234 C235	G232-K234 PolarHBondContact O-N 2.87Å; G232-C235 PolarHBondContact N-O 3.07Å; G232-C235 PolarHBondContact O-N 3.22Å; G232-C235 VanDerWaalsContact O-O 3.07Å; G232-C235 PolarHBondContact O-SG 2.92Å
233	M	84.1	Confident	96.9	Very high	117 Å²	117	45.6 Å²	45.6	58%	0.576	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	-91.1	179.9	-56.7	170.3	120.3	0	0	112.5	E282 K286	M233-E282 HydrophobicContact CB-CB 4.27Å; M233-E282 HydrophobicContact CE-CB 3.8Å; M233-E282 HydrophobicContact CE-CG 4.2Å; M233-E282 HydrophobicContact SD-CB 3.77Å; M233-K286 HydrophobicContact SD-CD 3.83Å; M233-K286 WeakPolarHBondContact SD-CE 3.48Å; M233-K286 HydrophobicContact SD-CG 4.38Å
234	K	95.3	Very high	96.8	Very high	82 Å²	82	45.4 Å²	45.4	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	37.8	-176.8	-68.7	178.4	179.1	154.7	0	110.9	M174 G232 P280 E282	M174-K234 WeakPolarHBondContact CA-O 3.23Å; M174-K234 HydrophobicContact CE-CG 4.38Å; M174-K234 PolarHBondContact N-O 2.9Å; M174-K234 HydrophobicContact SD-CB 3.91Å; M174-K234 HydrophobicContact SD-CD 4.38Å; M174-K234 HydrophobicContact SD-CG 4.28Å; G232-K234 PolarHBondContact O-N 2.87Å; K234-P280 HydrophobicContact CB-CB 3.82Å; K234-P280 HydrophobicContact CB-CG 3.6Å; K234-P280 HydrophobicContact CD-CB 3.76Å; K234-P280 HydrophobicContact CD-CG 4.12Å; K234-P280 HydrophobicContact CG-CB 4.43Å; K234-E282 IonicContact NZ-OE1 2.68Å; K234-E282 PolarHBondContact NZ-OE1 3.27Å; K234-E282 IonicContact NZ-OE2 3.76Å
235	C	97.6	Very high	96.5	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159.3	173.2	60.1	0	0	0	0	110.1	T172 G232 I263 V283	T172-C235 VanDerWaalsContact O-CA 3.24Å; T172-C235 WeakPolarHBondContact O-CA 3.41Å; T172-C235 WeakPolarHBondContact O-CB 3.34Å; G232-C235 PolarHBondContact N-O 3.07Å; G232-C235 PolarHBondContact O-N 3.22Å; G232-C235 VanDerWaalsContact O-O 3.07Å; G232-C235 PolarHBondContact O-SG 2.92Å; C235-I263 HydrophobicContact CB-CD1 4.26Å; C235-V283 HydrophobicContact CB-CG2 3.93Å
236	A	98.1	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.8	178.1	0	0	0	0	0	112	L171 T172 V175 V228 K230 E231 V238	L171-A236 CarbonylContact C-O 3.6Å; L171-A236 WeakPolarHBondContact CA-O 3.46Å; T172-A236 PolarHBondContact N-O 3.08Å; T172-A236 PolarHBondContact O-N 2.78Å; T172-A236 PolarHBondContact OG1-O 2.96Å; V175-A236 HydrophobicContact CG1-CB 4.38Å; V175-A236 HydrophobicContact CG2-CB 4.37Å; V228-A236 HydrophobicContact CG1-CB 4.02Å; V228-A236 HydrophobicContact CG2-CB 4.37Å; K230-A236 CarbonylContact O-C 3.54Å; K230-A236 WeakPolarHBondContact O-CA 3.48Å; E231-A236 HydrophobicContact CB-CB 4.42Å; A236-V238 HydrophobicContact CB-CG2 3.84Å
237	L	98.3	Very high	96	Very high	14 Å²	14	47 Å²	47	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.2	159.6	-176.4	68	0	0	0	107.6	L169 C170 L171 I229 K230 F327 I331 L336	L169-L237 HydrophobicContact CD1-CD1 3.62Å; L169-L237 HydrophobicContact CD1-CD2 4.21Å; L169-L237 HydrophobicContact CD1-CG 3.77Å; L169-L237 HydrophobicContact CD2-CD1 3.88Å; L169-L237 HydrophobicContact CG-CD1 3.58Å; L169-L237 HydrophobicContact CG-CG 4.31Å; C170-L237 WeakPolarHBondContact O-CA 3.39Å; L171-L237 HydrophobicContact CD2-CB 4.25Å; L171-L237 HydrophobicContact CD2-CD1 3.65Å; I229-L237 HydrophobicContact CB-CD2 4.31Å; I229-L237 HydrophobicContact CB-CG 4.35Å; I229-L237 HydrophobicContact CG2-CD2 4.23Å; I229-L237 PolarHBondContact N-O 2.77Å; K230-L237 HydrophobicContact CB-CB 4.32Å; K230-L237 PolarHBondContact N-O 2.77Å; K230-L237 PolarHBondContact O-N 3.27Å; L237-F327 HydrophobicContact CD1-CE1 4.26Å; L237-I331 HydrophobicContact CD1-CD1 4.09Å; L237-I331 HydrophobicContact CD1-CG1 4.28Å; L237-L336 HydrophobicContact CB-CB 4.31Å
238	V	98.6	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.9	-173.2	-177.4	0	0	0	0	109.5	C170 T172 P176 E227 V228 A236	C170-V238 PolarHBondContact N-O 3.28Å; C170-V238 PolarHBondContact O-N 2.93Å; C170-V238 PolarHBondContact SG-O 3.09Å; T172-V238 HydrophobicContact CG2-CB 4.26Å; T172-V238 HydrophobicContact CG2-CG2 3.76Å; P176-V238 HydrophobicContact CG-CG2 3.89Å; E227-V238 CarbonylContact O-C 3.6Å; E227-V238 WeakPolarHBondContact O-CA 3.45Å; V228-V238 HydrophobicContact CG2-CG2 4.12Å; A236-V238 HydrophobicContact CB-CG2 3.84Å
239	E	98.7	Very high	95.8	Very high	34 Å²	34	42.6 Å²	42.6	16%	0.159	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.8	165	-178.4	172.8	108.3	0	0	109	K167 Y168 Y226 E227 I229	K167-E239 WeakPolarHBondContact CE-OE1 3.32Å; K167-E239 IonicContact NZ-OE1 3.51Å; K167-E239 PolarHBondContact NZ-OE1 2.84Å; K167-E239 IonicContact NZ-OE2 3.48Å; Y168-E239 CarbonylContact O-C 3.29Å; Y168-E239 VanDerWaalsContact O-CA 3.32Å; Y168-E239 WeakPolarHBondContact O-CA 3.39Å; Y226-E239 CarbonylContact C-O 3.6Å; Y226-E239 VanDerWaalsContact CA-O 3.24Å; Y226-E239 WeakPolarHBondContact CA-O 3.23Å; E227-E239 PolarHBondContact N-O 3.3Å; E227-E239 PolarHBondContact O-N 2.87Å; I229-E239 HydrophobicContact CD1-CB 3.85Å; I229-E239 HydrophobicContact CG1-CB 3.95Å
240	C	98.7	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.6	173	-67.9	0	0	0	0	109.6	K167 Y168 T224 K225 I250	K167-C240 CarbonylContact C-O 3.54Å; K167-C240 WeakPolarHBondContact CA-O 3.31Å; Y168-C240 PolarHBondContact N-O 2.99Å; Y168-C240 PolarHBondContact O-N 3.16Å; T224-C240 HydrophobicContact CG2-CB 3.85Å; K225-C240 CarbonylContact O-C 3.56Å; K225-C240 VanDerWaalsContact O-CA 3.29Å; K225-C240 WeakPolarHBondContact O-CA 3.41Å; C240-I250 HydrophobicContact CB-CD1 3.99Å; C240-I250 HydrophobicContact CB-CG2 4.12Å
241	T	98.7	Very high	95.9	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.19	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.2	178.8	-60.9	0	0	0	0	110.5	T165 K166 K167 K225	T165-T241 HydrophobicContact CG2-CG2 3.49Å; T165-T241 VanDerWaalsContact CG2-CG2 3.49Å; K166-T241 WeakPolarHBondContact O-CA 3.19Å; K167-T241 HydrophobicContact CG-CG2 4.31Å; K225-T241 PolarHBondContact N-O 3.48Å; K225-T241 PolarHBondContact O-N 3.29Å
242	S	98.4	Very high	96	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	136	175.9	-170	0	0	0	0	112.8	K166 E223 Y244 Q249	K166-S242 WeakPolarHBondContact CE-O 3.13Å; K166-S242 PolarHBondContact N-O 3.05Å; K166-S242 PolarHBondContact O-N 3.2Å; E223-S242 WeakPolarHBondContact O-CB 3.41Å; E223-S242 PolarHBondContact O-OG 2.78Å; S242-Y244 VanDerWaalsContact C-N 3.35Å; S242-Y244 WeakPolarHBondContact OG-CB 3.44Å; S242-Y244 PolarHBondContact OG-N 3.49Å; S242-Y244 PolarHBondContact OG-O 2.85Å; S242-Q249 PolarHBondContact OG-NE2 3.15Å
243	Q	98	Very high	96.4	Very high	88 Å²	88	30.7 Å²	30.7	41%	0.411	16%	0.159	S	C	.	.	S	Bend	trans	-88	-8	165.3	-67.7	167.1	6.8	0	0	112.4	R162 V164 T165	R162-Q243 HydrophobicContact CB-CB 4.09Å; R162-Q243 WeakPolarHBondContact O-CB 3.33Å; R162-Q243 WeakPolarHBondContact O-CG 3.14Å; R162-Q243 PolarHBondContact O-OE1 3.48Å; V164-Q243 WeakPolarHBondContact O-CA 3.41Å; T165-Q243 VanDerWaalsContact OG1-CG 3.28Å; T165-Q243 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q243 PolarHBondContact OG1-NE2 2.75Å
244	Y	96.6	Very high	97.1	Very high	35 Å²	35	25.2 Å²	25.2	14%	0.137	13%	0.132	C	C	.	.			trans	-90.5	157.3	-179.2	-61.7	-103.4	0	0	0	110.5	R162 K166 V222 E223 S242	R162-Y244 VanDerWaalsContact NH1-CE1 3.29Å; R162-Y244 PolarHBondContact NH1-OH 2.86Å; K166-Y244 PolarHBondContact NZ-O 3.2Å; V222-Y244 HydrophobicContact CB-CD1 4.47Å; V222-Y244 HydrophobicContact CB-CG 4.41Å; V222-Y244 HydrophobicContact CG1-CD1 4.42Å; E223-Y244 HydrophobicContact CB-CD2 3.66Å; E223-Y244 HydrophobicContact CB-CE2 3.39Å; S242-Y244 VanDerWaalsContact C-N 3.35Å; S242-Y244 WeakPolarHBondContact OG-CB 3.44Å; S242-Y244 PolarHBondContact OG-N 3.49Å; S242-Y244 PolarHBondContact OG-O 2.85Å
245	G	90.9	Very high	97.2	Very high	44 Å²	44	21.7 Å²	21.7	45%	0.454	12%	0.119	S	C	.	.			trans	-134.2	110.9	176.9	0	0	0	0	0	111.5
246	A	93.6	Very high	97	Very high	25 Å²	25	23.2 Å²	23.2	21%	0.207	13%	0.127	C	C	.	.			trans	-139.6	155.1	168.2	0	0	0	0	0	111.8	I187 V222 H248 Q249	I187-A246 HydrophobicContact CD1-CB 3.67Å; I187-A246 HydrophobicContact CG1-CB 4.18Å; V222-A246 HydrophobicContact CG1-CB 3.84Å; A246-H248 PolarHBondContact O-N 3.2Å; A246-Q249 HydrophobicContact CB-CB 4.22Å; A246-Q249 WeakPolarHBondContact O-CB 3.48Å; A246-Q249 PolarHBondContact O-N 3.28Å
247	K	94.2	Very high	96.9	Very high	93 Å²	93	25.4 Å²	25.4	40%	0.404	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128	178.6	-179.3	-179.4	179.2	-176.6	0	109	E189 M198 Q249	E189-K247 IonicContact OE1-NZ 3.43Å; E189-K247 PolarHBondContact OE1-NZ 2.67Å; M198-K247 HydrophobicContact CG-CB 4.19Å; M198-K247 HydrophobicContact CG-CD 4.34Å; M198-K247 HydrophobicContact CG-CG 4.2Å; M198-K247 WeakPolarHBondContact CG-O 3.47Å; M198-K247 HydrophobicContact SD-CB 4.3Å; M198-K247 HydrophobicContact SD-CD 4.23Å; K247-Q249 PolarHBondContact O-N 2.72Å
248	H	95.8	Very high	96.8	Very high	27 Å²	27	26.8 Å²	26.8	13%	0.125	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.1	175.7	-53.4	172.1	0	0	0	114.5	D136 M198 A246 R251 T252 Y268	D136-H248 IonicContact OD1-CD2 2.63Å; D136-H248 PolarHBondContact OD1-CD2 2.9Å; D136-H248 IonicContact OD1-NE2 2.74Å; D136-H248 IonicContact OD2-CD2 2.81Å; D136-H248 PolarHBondContact OD2-CD2 2.94Å; D136-H248 IonicContact OD2-CG 3.47Å; D136-H248 IonicContact OD2-NE2 3.47Å; M198-H248 HydrophobicContact CG-CB 4.41Å; A246-H248 PolarHBondContact O-N 3.2Å; H248-R251 HydrophobicContact CB-CB 4.4Å; H248-R251 PolarHBondContact O-N 2.84Å; H248-T252 WeakPolarHBondContact O-CB 3.15Å; H248-T252 PolarHBondContact O-N 3.2Å; H248-T252 PolarHBondContact O-OG1 3.34Å; H248-Y268 HydrophobicContact CB-CE1 4.44Å; H248-Y268 HydrophobicContact CB-CE2 3.75Å; H248-Y268 VanDerWaalsContact CB-OH 3.23Å; H248-Y268 WeakPolarHBondContact CB-OH 3.16Å; H248-Y268 AromaticContact CG-CE2 3.81Å; H248-Y268 AromaticContact CG-CZ 3.89Å; H248-Y268 AromaticContact ND1-CE2 3.33Å; H248-Y268 VanDerWaalsContact ND1-CE2 3.33Å; H248-Y268 WeakPolarHBondContact ND1-CE2 2.9Å; H248-Y268 AromaticContact ND1-CZ 3.42Å; H248-Y268 PolarHBondContact ND1-OH 2.76Å
249	Q	97.1	Very high	96.7	Very high	10 Å²	10	29 Å²	29	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-57.4	-172.8	178	-176.1	-40.4	0	0	112.5	I187 V222 E223 T224 S242 A246 K247 R251 T252 H253	I187-Q249 HydrophobicContact CD1-CB 4.15Å; I187-Q249 HydrophobicContact CD1-CG 4.29Å; V222-Q249 HydrophobicContact CB-CG 4.33Å; V222-Q249 HydrophobicContact CG2-CG 4.01Å; E223-Q249 PolarHBondContact O-NE2 2.98Å; T224-Q249 PolarHBondContact OG1-NE2 3.39Å; S242-Q249 PolarHBondContact OG-NE2 3.15Å; A246-Q249 HydrophobicContact CB-CB 4.22Å; A246-Q249 WeakPolarHBondContact O-CB 3.48Å; A246-Q249 PolarHBondContact O-N 3.28Å; K247-Q249 PolarHBondContact O-N 2.72Å; Q249-R251 VanDerWaalsContact C-N 3.27Å; Q249-R251 PolarHBondContact O-N 2.96Å; Q249-T252 WeakPolarHBondContact O-CB 3.49Å; Q249-T252 PolarHBondContact O-N 3.1Å; Q249-T252 VanDerWaalsContact O-N 3.1Å; Q249-H253 PolarHBondContact O-N 2.97Å
250	I	98.3	Very high	96.7	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-43.8	-178.9	-55.5	-53.9	0	0	0	110.9	Y168 T224 C240 T252 H253 L254 L301	Y168-I250 HydrophobicContact CD2-CD1 4.11Å; Y168-I250 HydrophobicContact CD2-CG1 3.95Å; Y168-I250 HydrophobicContact CE2-CD1 4.37Å; Y168-I250 HydrophobicContact CE2-CG1 4.19Å; Y168-I250 HydrophobicContact CG-CG1 4.16Å; T224-I250 HydrophobicContact CG2-CD1 3.52Å; C240-I250 HydrophobicContact CB-CD1 3.99Å; C240-I250 HydrophobicContact CB-CG2 4.12Å; I250-T252 VanDerWaalsContact C-N 3.35Å; I250-T252 PolarHBondContact O-N 2.79Å; I250-H253 PolarHBondContact O-N 3.26Å; I250-L254 HydrophobicContact CG2-CD1 3.71Å; I250-L254 HydrophobicContact CG2-CG 4.23Å; I250-L254 WeakPolarHBondContact O-CB 3.4Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.46Å; I250-L254 PolarHBondContact O-N 2.9Å; I250-L301 HydrophobicContact CG2-CD1 3.98Å
251	R	98.1	Very high	96.6	Very high	26 Å²	26	28 Å²	28	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-42	178.5	-61.6	170	62.7	-177.1	6	112.3	D136 H248 Q249 G255 D265 Y268 M299 L301	D136-R251 VanDerWaalsContact OD2-CD 3.26Å; D136-R251 WeakPolarHBondContact OD2-CD 3.5Å; D136-R251 IonicContact OD2-NH1 3.67Å; D136-R251 PolarHBondContact OD2-NH1 2.9Å; D136-R251 VanDerWaalsContact OD2-NH1 3.1Å; H248-R251 HydrophobicContact CB-CB 4.4Å; H248-R251 PolarHBondContact O-N 2.84Å; Q249-R251 VanDerWaalsContact C-N 3.27Å; Q249-R251 PolarHBondContact O-N 2.96Å; R251-G255 PolarHBondContact O-N 3.43Å; R251-D265 WeakPolarHBondContact CB-OD2 3.36Å; R251-D265 WeakPolarHBondContact CG-OD2 3.41Å; R251-D265 IonicContact CZ-OD1 3.7Å; R251-D265 IonicContact CZ-OD2 2.98Å; R251-D265 IonicContact NE-OD1 2.72Å; R251-D265 IonicContact NE-OD2 2.75Å; R251-D265 PolarHBondContact NE-OD2 2.92Å; R251-D265 IonicContact NH2-OD1 3.87Å; R251-D265 PolarHBondContact NH2-OD1 2.86Å; R251-D265 IonicContact NH2-OD2 3.79Å; R251-D265 PolarHBondContact NH2-OD2 2.9Å; R251-Y268 HydrophobicContact CB-CD2 3.81Å; R251-Y268 HydrophobicContact CB-CE2 4.28Å; R251-Y268 HydrophobicContact CB-CG 4.03Å; R251-M299 HydrophobicContact CG-SD 4.48Å; R251-L301 HydrophobicContact CG-CD2 3.72Å
252	T	97	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-47.9	177.7	-55.1	0	0	0	0	110.9	I187 M198 H248 Q249 I250 L256 S257 Y268	I187-T252 HydrophobicContact CG2-CG2 4.27Å; M198-T252 HydrophobicContact CB-CG2 4.48Å; M198-T252 WeakPolarHBondContact CB-OG1 3.45Å; H248-T252 WeakPolarHBondContact O-CB 3.15Å; H248-T252 PolarHBondContact O-N 3.2Å; H248-T252 PolarHBondContact O-OG1 3.34Å; Q249-T252 WeakPolarHBondContact O-CB 3.49Å; Q249-T252 PolarHBondContact O-N 3.1Å; Q249-T252 VanDerWaalsContact O-N 3.1Å; I250-T252 VanDerWaalsContact C-N 3.35Å; I250-T252 PolarHBondContact O-N 2.79Å; T252-L256 HydrophobicContact CG2-CD1 4.32Å; T252-L256 WeakPolarHBondContact O-CA 3.37Å; T252-L256 WeakPolarHBondContact O-CB 3.27Å; T252-L256 PolarHBondContact O-N 2.74Å; T252-S257 PolarHBondContact O-N 3.32Å; T252-Y268 WeakPolarHBondContact OG1-CE1 2.82Å
253	H	97.9	Very high	96.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.158	C	C	.	.	I	π-helix	trans	-63	-50.7	-179.5	-79.1	-166.8	0	0	0	111.9	I183 T224 Q249 I250 S257 L258	I183-H253 HydrophobicContact CD1-CB 3.73Å; I183-H253 HydrophobicContact CG2-CB 4.33Å; T224-H253 VanDerWaalsContact CB-ND1 3.31Å; T224-H253 WeakPolarHBondContact CB-ND1 3.39Å; T224-H253 PolarHBondContact OG1-CE1 2.74Å; T224-H253 PolarHBondContact OG1-ND1 3.11Å; Q249-H253 PolarHBondContact O-N 2.97Å; I250-H253 PolarHBondContact O-N 3.26Å; H253-S257 CarbonylContact O-C 3.49Å; H253-S257 WeakPolarHBondContact O-CA 3.23Å; H253-S257 WeakPolarHBondContact O-CB 3.45Å; H253-S257 PolarHBondContact O-N 2.97Å; H253-S257 VanDerWaalsContact O-N 3.15Å; H253-L258 PolarHBondContact O-N 3.04Å
254	L	98.3	Very high	96.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.143	C	C	.	.	I	π-helix	trans	-66.4	-46.1	179.1	-63.2	177.6	0	0	0	111.5	C170 T172 I250 L258 G259 T260 V262	C170-L254 HydrophobicContact CB-CD1 4.38Å; C170-L254 WeakPolarHBondContact SG-CD1 3.35Å; T172-L254 HydrophobicContact CG2-CD1 4.08Å; I250-L254 HydrophobicContact CG2-CD1 3.71Å; I250-L254 HydrophobicContact CG2-CG 4.23Å; I250-L254 WeakPolarHBondContact O-CB 3.4Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.46Å; I250-L254 PolarHBondContact O-N 2.9Å; L254-L258 HydrophobicContact CD2-CD1 3.92Å; L254-G259 PolarHBondContact O-N 2.93Å; L254-T260 CarbonylContact O-C 3.49Å; L254-T260 VanDerWaalsContact O-C 3.29Å; L254-T260 WeakPolarHBondContact O-CA 3.29Å; L254-T260 PolarHBondContact O-N 2.86Å; L254-V262 HydrophobicContact CD1-CG2 3.81Å
255	G	97.2	Very high	96.6	Very high	8 Å²	8	20.9 Å²	20.9	8%	0.082	14%	0.137	C	C	.	.	I	π-helix	trans	-76.7	-47.6	-174.1	0	0	0	0	0	115.3	R251 G259 Y268	R251-G255 PolarHBondContact O-N 3.43Å; G255-G259 WeakPolarHBondContact O-CA 3.33Å; G255-Y268 CarbonylContact C-O 3.53Å; G255-Y268 WeakPolarHBondContact CA-O 3.25Å
256	L	95.3	Very high	96.7	Very high	36 Å²	36	20.7 Å²	20.7	19%	0.188	12%	0.124	C	C	.	.	I	π-helix	trans	-102.9	-20.5	-171.2	-56.1	-176.6	0	0	0	113.7	K197 V199 P200 T252 Y268 Y271	K197-L256 HydrophobicContact CD-CD1 4.14Å; V199-L256 HydrophobicContact CG1-CD1 4.08Å; P200-L256 HydrophobicContact CG-CB 4.22Å; T252-L256 HydrophobicContact CG2-CD1 4.32Å; T252-L256 WeakPolarHBondContact O-CA 3.37Å; T252-L256 WeakPolarHBondContact O-CB 3.27Å; T252-L256 PolarHBondContact O-N 2.74Å; L256-Y268 HydrophobicContact CD1-CD1 4.04Å; L256-Y268 HydrophobicContact CD1-CE1 4.49Å; L256-Y268 HydrophobicContact CG-CD1 4.25Å; L256-Y271 HydrophobicContact CD1-CD2 4.45Å
257	S	95.7	Very high	96.7	Very high	45 Å²	45	21.8 Å²	21.8	32%	0.315	12%	0.124	S	C	.	.	I	π-helix	trans	-97.9	-44.2	176.9	-51.1	0	0	0	0	112.5	T252 H253	T252-S257 PolarHBondContact O-N 3.32Å; H253-S257 CarbonylContact O-C 3.49Å; H253-S257 WeakPolarHBondContact O-CA 3.23Å; H253-S257 WeakPolarHBondContact O-CB 3.45Å; H253-S257 PolarHBondContact O-N 2.97Å; H253-S257 VanDerWaalsContact O-N 3.15Å
258	L	96.1	Very high	96.8	Very high	44 Å²	44	17.4 Å²	17.4	23%	0.23	11%	0.105	C	C	.	.	S	Bend	trans	-92.7	-14.9	177.1	-65.3	-177.5	0	0	0	114.2	P176 I183 Y226 H253 L254 T260	P176-L258 HydrophobicContact CB-CD1 4.19Å; P176-L258 HydrophobicContact CG-CD1 4.49Å; I183-L258 HydrophobicContact CD1-CD1 3.71Å; I183-L258 HydrophobicContact CD1-CD2 4Å; I183-L258 HydrophobicContact CD1-CG 3.56Å; I183-L258 HydrophobicContact CG1-CD2 4.17Å; I183-L258 HydrophobicContact CG1-CG 4.29Å; Y226-L258 HydrophobicContact CD1-CD1 4.03Å; Y226-L258 HydrophobicContact CD2-CD1 4.21Å; Y226-L258 HydrophobicContact CE1-CD1 3.83Å; Y226-L258 HydrophobicContact CE1-CD2 4.02Å; Y226-L258 HydrophobicContact CE1-CG 4.49Å; Y226-L258 HydrophobicContact CE2-CD1 4.02Å; Y226-L258 HydrophobicContact CG-CD1 4.2Å; H253-L258 PolarHBondContact O-N 3.04Å; L254-L258 HydrophobicContact CD2-CD1 3.92Å; L258-T260 WeakPolarHBondContact CB-OG1 3.37Å; L258-T260 PolarHBondContact O-N 3.38Å
259	G	96.3	Very high	96.7	Very high	47 Å²	47	17.4 Å²	17.4	49%	0.485	11%	0.108	S	C	.	.	S	Bend	trans	70.3	15.4	-173.8	0	0	0	0	0	114	L254 G255 P261	L254-G259 PolarHBondContact O-N 2.93Å; G255-G259 WeakPolarHBondContact O-CA 3.33Å; G259-P261 WeakPolarHBondContact O-CD 3.36Å
260	T	97.6	Very high	96.3	Very high	6 Å²	6	19.4 Å²	19.4	4%	0.037	12%	0.119	C	C	.	.			trans	-117.3	59.8	-178.7	59.1	0	0	0	0	111.9	T172 K173 M174 P176 L254 L258	T172-T260 WeakPolarHBondContact CB-O 3.25Å; T172-T260 WeakPolarHBondContact CG2-O 3.47Å; K173-T260 CarbonylContact O-C 3.43Å; K173-T260 WeakPolarHBondContact O-CA 3.38Å; K173-T260 WeakPolarHBondContact O-CB 3.38Å; M174-T260 HydrophobicContact CB-CG2 3.98Å; P176-T260 HydrophobicContact CG-CG2 4.43Å; L254-T260 CarbonylContact O-C 3.49Å; L254-T260 VanDerWaalsContact O-C 3.29Å; L254-T260 WeakPolarHBondContact O-CA 3.29Å; L254-T260 PolarHBondContact O-N 2.86Å; L258-T260 WeakPolarHBondContact CB-OG1 3.37Å; L258-T260 PolarHBondContact O-N 3.38Å
261	P	97.8	Very high	95.7	Very high	5 Å²	5	24 Å²	24	3%	0.032	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-58.9	147.6	-172.9	25.7	-35.7	0	0	0	112.3	K173 G259 I263 Q277	K173-P261 HydrophobicContact CB-CG 4.2Å; K173-P261 WeakPolarHBondContact CB-O 3.42Å; K173-P261 HydrophobicContact CD-CG 4.2Å; K173-P261 PolarHBondContact N-O 2.73Å; G259-P261 WeakPolarHBondContact O-CD 3.36Å; P261-I263 PolarHBondContact O-N 3.07Å; P261-Q277 PolarHBondContact O-NE2 3.48Å
262	V	98.6	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-53.9	135.2	173.4	-178.6	0	0	0	0	110.1	C170 L171 L254 G264 D265 Q277 M299 Y300 L301	C170-V262 HydrophobicContact CB-CG2 4.13Å; L171-V262 CarbonylContact O-C 3.52Å; L171-V262 VanDerWaalsContact O-CA 3.31Å; L171-V262 WeakPolarHBondContact O-CA 3.49Å; L254-V262 HydrophobicContact CD1-CG2 3.81Å; V262-G264 PolarHBondContact O-N 2.84Å; V262-D265 HydrophobicContact CB-CB 4.08Å; V262-D265 VanDerWaalsContact O-CB 3.25Å; V262-D265 WeakPolarHBondContact O-CB 3.44Å; V262-D265 PolarHBondContact O-N 3.11Å; V262-Q277 PolarHBondContact O-NE2 2.83Å; V262-M299 HydrophobicContact CG1-CG 3.84Å; V262-Y300 WeakPolarHBondContact CG1-O 3.34Å; V262-L301 HydrophobicContact CG1-CB 4.4Å
263	I	98.1	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	131.8	175.1	-64.4	-178.4	0	0	0	108.7	L171 C235 P261 D265 L279 V283 L297 M299 Y300 L334	L171-I263 HydrophobicContact CB-CB 4.42Å; L171-I263 HydrophobicContact CB-CD1 4.07Å; L171-I263 HydrophobicContact CB-CG1 4.33Å; L171-I263 PolarHBondContact O-N 3.17Å; C235-I263 HydrophobicContact CB-CD1 4.26Å; P261-I263 PolarHBondContact O-N 3.07Å; I263-D265 VanDerWaalsContact C-N 3.3Å; I263-L279 HydrophobicContact CG1-CD2 4.25Å; I263-L279 HydrophobicContact CG2-CD1 4.17Å; I263-L279 HydrophobicContact CG2-CD2 4.35Å; I263-V283 HydrophobicContact CD1-CG1 4.27Å; I263-L297 HydrophobicContact CG2-CD1 4.32Å; I263-M299 WeakPolarHBondContact O-CA 3.23Å; I263-Y300 HydrophobicContact CB-CD2 3.87Å; I263-Y300 HydrophobicContact CB-CE2 4.46Å; I263-Y300 HydrophobicContact CG2-CD2 3.74Å; I263-Y300 HydrophobicContact CG2-CE2 3.82Å; I263-Y300 WeakPolarHBondContact O-CD2 3.29Å; I263-Y300 PolarHBondContact O-N 3.49Å; I263-L334 HydrophobicContact CD1-CD1 4.08Å
264	G	97	Very high	93.1	Very high	9 Å²	9	33.1 Å²	33.1	9%	0.093	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-4.9	-174.7	0	0	0	0	0	114.4	V262 H266	V262-G264 PolarHBondContact O-N 2.84Å; G264-H266 PolarHBondContact O-N 2.86Å; G264-H266 VanDerWaalsContact O-N 3.15Å
265	D	96.9	Very high	92.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	22%	0.215	C	C	.	.			trans	-87	82.6	177.5	-165.2	-9.2	0	0	0	112.5	R251 V262 I263 K267 Y268 S269 M299	R251-D265 WeakPolarHBondContact CB-OD2 3.36Å; R251-D265 WeakPolarHBondContact CG-OD2 3.41Å; R251-D265 IonicContact CZ-OD1 3.7Å; R251-D265 IonicContact CZ-OD2 2.98Å; R251-D265 IonicContact NE-OD1 2.72Å; R251-D265 IonicContact NE-OD2 2.75Å; R251-D265 PolarHBondContact NE-OD2 2.92Å; R251-D265 IonicContact NH2-OD1 3.87Å; R251-D265 PolarHBondContact NH2-OD1 2.86Å; R251-D265 IonicContact NH2-OD2 3.79Å; R251-D265 PolarHBondContact NH2-OD2 2.9Å; V262-D265 HydrophobicContact CB-CB 4.08Å; V262-D265 VanDerWaalsContact O-CB 3.25Å; V262-D265 WeakPolarHBondContact O-CB 3.44Å; V262-D265 PolarHBondContact O-N 3.11Å; I263-D265 VanDerWaalsContact C-N 3.3Å; D265-K267 PolarHBondContact O-N 3Å; D265-K267 PolarHBondContact OD1-N 2.97Å; D265-K267 VanDerWaalsContact OD1-N 3.14Å; D265-Y268 PolarHBondContact OD1-N 2.78Å; D265-Y268 WeakPolarHBondContact OD2-CD2 3.27Å; D265-S269 VanDerWaalsContact O-CB 3.24Å; D265-S269 WeakPolarHBondContact O-CB 3.34Å; D265-S269 PolarHBondContact O-N 3.47Å; D265-S269 PolarHBondContact O-OG 3.48Å; D265-M299 HydrophobicContact CB-CG 4.25Å; D265-M299 HydrophobicContact CB-SD 4.05Å
266	H	94.1	Very high	92.1	Very high	39 Å²	39	40.9 Å²	40.9	18%	0.181	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.5	177.7	-52.1	-33.2	0	0	0	113.9	G264 S269 Q277 R295	G264-H266 PolarHBondContact O-N 2.86Å; G264-H266 VanDerWaalsContact O-N 3.15Å; H266-S269 PolarHBondContact O-OG 3.04Å; H266-Q277 WeakPolarHBondContact ND1-CB 3.38Å; H266-Q277 PolarHBondContact ND1-N 2.91Å; H266-Q277 VanDerWaalsContact ND1-N 3.12Å; H266-R295 WeakPolarHBondContact NE2-CA 3.34Å; H266-R295 PolarHBondContact NE2-O 2.94Å; H266-R295 VanDerWaalsContact NE2-O 3.1Å
267	K	93.9	Very high	92.1	Very high	49 Å²	49	39.4 Å²	39.4	21%	0.213	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-38.9	-176.7	-177.5	169.6	-179.3	163.9	0	111.6	F196 K197 D265	F196-K267 WeakPolarHBondContact O-CE 2.99Å; F196-K267 PolarHBondContact O-NZ 2.81Å; K197-K267 WeakPolarHBondContact CE-O 3.3Å; K197-K267 PolarHBondContact NZ-O 3.45Å; D265-K267 PolarHBondContact O-N 3Å; D265-K267 PolarHBondContact OD1-N 2.97Å; D265-K267 VanDerWaalsContact OD1-N 3.14Å
268	Y	95.4	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	8.1	-176.9	-68.2	-86.8	0	0	0	113.6	K197 M198 H248 R251 T252 G255 L256 D265	K197-Y268 HydrophobicContact CD-CD1 4.42Å; K197-Y268 HydrophobicContact CD-CE1 4.33Å; K197-Y268 HydrophobicContact CG-CD1 4.22Å; K197-Y268 HydrophobicContact CG-CE1 3.65Å; M198-Y268 HydrophobicContact CB-CE1 4.3Å; M198-Y268 PolarHBondContact N-OH 3.1Å; M198-Y268 VanDerWaalsContact O-CE1 3.3Å; M198-Y268 WeakPolarHBondContact O-CE1 3.37Å; H248-Y268 HydrophobicContact CB-CE1 4.44Å; H248-Y268 HydrophobicContact CB-CE2 3.75Å; H248-Y268 VanDerWaalsContact CB-OH 3.23Å; H248-Y268 WeakPolarHBondContact CB-OH 3.16Å; H248-Y268 AromaticContact CG-CE2 3.81Å; H248-Y268 AromaticContact CG-CZ 3.89Å; H248-Y268 AromaticContact ND1-CE2 3.33Å; H248-Y268 VanDerWaalsContact ND1-CE2 3.33Å; H248-Y268 WeakPolarHBondContact ND1-CE2 2.9Å; H248-Y268 AromaticContact ND1-CZ 3.42Å; H248-Y268 PolarHBondContact ND1-OH 2.76Å; R251-Y268 HydrophobicContact CB-CD2 3.81Å; R251-Y268 HydrophobicContact CB-CE2 4.28Å; R251-Y268 HydrophobicContact CB-CG 4.03Å; T252-Y268 WeakPolarHBondContact OG1-CE1 2.82Å; G255-Y268 CarbonylContact C-O 3.53Å; G255-Y268 WeakPolarHBondContact CA-O 3.25Å; L256-Y268 HydrophobicContact CD1-CD1 4.04Å; L256-Y268 HydrophobicContact CD1-CE1 4.49Å; L256-Y268 HydrophobicContact CG-CD1 4.25Å; D265-Y268 PolarHBondContact OD1-N 2.78Å; D265-Y268 WeakPolarHBondContact OD2-CD2 3.27Å
269	S	94.2	Very high	92.1	Very high	28 Å²	28	45.8 Å²	45.8	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	-82.1	-14	175.6	59.4	0	0	0	0	115.5	D265 H266	D265-S269 VanDerWaalsContact O-CB 3.24Å; D265-S269 WeakPolarHBondContact O-CB 3.34Å; D265-S269 PolarHBondContact O-N 3.47Å; D265-S269 PolarHBondContact O-OG 3.48Å; H266-S269 PolarHBondContact O-OG 3.04Å
270	N	89.3	Confident	92.1	Very high	52 Å²	52	44.4 Å²	44.4	28%	0.278	22%	0.222	S	C	.	.			trans	-143.9	141.3	177.5	-172.7	-21.5	0	0	0	108.3	K197 L272	K197-N270 PolarHBondContact NZ-O 3.41Å; N270-L272 PolarHBondContact OD1-N 3.46Å; N270-L272 VanDerWaalsContact OD1-N 3.08Å
271	Y	85.6	Confident	92	Very high	107 Å²	107	47.5 Å²	47.5	42%	0.42	25%	0.248	S	C	.	.	S	Bend	trans	-68.4	-52.7	176.5	-175.7	-98.1	0	0	0	111.7	I192 K197 V199 L256 G273	I192-Y271 HydrophobicContact CD1-CE1 4.38Å; I192-Y271 HydrophobicContact CD1-CE2 4.17Å; I192-Y271 WeakPolarHBondContact CG2-O 3.48Å; K197-Y271 PolarHBondContact NZ-O 2.77Å; V199-Y271 HydrophobicContact CB-CE2 4.32Å; V199-Y271 HydrophobicContact CG1-CD2 4.48Å; V199-Y271 HydrophobicContact CG1-CE2 3.87Å; L256-Y271 HydrophobicContact CD1-CD2 4.45Å; Y271-G273 VanDerWaalsContact C-N 3.31Å; Y271-G273 PolarHBondContact O-N 2.75Å
272	L	83.5	Confident	91.9	Very high	136 Å²	136	50.1 Å²	50.1	71%	0.712	26%	0.26	S	S	*	.	S	Bend	trans	-71.5	-15.1	-166.6	-67.5	174.3	0	0	0	115.3	N270	N270-L272 PolarHBondContact OD1-N 3.46Å; N270-L272 VanDerWaalsContact OD1-N 3.08Å
273	G	76.8	Confident	91.8	Very high	14 Å²	14	50.1 Å²	50.1	14%	0.144	26%	0.26	C	S	.	.	S	Bend	trans	-168.9	-171.6	-176.8	0	0	0	0	0	114.3	K197 Y271	K197-G273 PolarHBondContact NZ-O 2.81Å; K197-G273 VanDerWaalsContact NZ-O 3.08Å; Y271-G273 VanDerWaalsContact C-N 3.31Å; Y271-G273 PolarHBondContact O-N 2.75Å
274	T	76.9	Confident	91.7	Very high	68 Å²	68	50.8 Å²	50.8	42%	0.417	26%	0.264	S	S	.	.			trans	-110	76.6	172.1	-50.3	0	0	0	0	107.8
275	Q	85.9	Confident	91.6	Very high	105 Å²	105	57.9 Å²	57.9	49%	0.491	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-94.8	149.7	172.8	-67	179.9	4.4	0	0	109.1	Q277	Q275-Q277 PolarHBondContact O-N 2.93Å
276	P	89.7	Confident	91.6	Very high	66 Å²	66	60 Å²	60	43%	0.429	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-49.7	130.8	168.6	-28	36.5	0	0	0	111.3	R278 R295	P276-R278 PolarHBondContact O-N 3.09Å; P276-R295 HydrophobicContact CB-CB 3.88Å; P276-R295 HydrophobicContact CG-CB 4.18Å
277	Q	95.1	Very high	91.7	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.028	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-61.8	123.1	178.7	-179.2	-175.8	49.7	0	0	109.1	K173 P261 V262 H266 Q275 L279	K173-Q277 HydrophobicContact CD-CG 4.27Å; P261-Q277 PolarHBondContact O-NE2 3.48Å; V262-Q277 PolarHBondContact O-NE2 2.83Å; H266-Q277 WeakPolarHBondContact ND1-CB 3.38Å; H266-Q277 PolarHBondContact ND1-N 2.91Å; H266-Q277 VanDerWaalsContact ND1-N 3.12Å; Q275-Q277 PolarHBondContact O-N 2.93Å; Q277-L279 HydrophobicContact CG-CD2 4.09Å
278	R	94.3	Very high	91.7	Very high	205 Å²	205	57.9 Å²	57.9	77%	0.774	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-81.5	116.6	170.5	-65.2	-175.4	-179.4	-179.3	-0.3	109.3	K173 P276	K173-R278 WeakPolarHBondContact CD-O 3.47Å; K173-R278 WeakPolarHBondContact CE-O 3.47Å; K173-R278 PolarHBondContact NZ-O 3.48Å; P276-R278 PolarHBondContact O-N 3.09Å
279	L	96.4	Very high	91.7	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-93.4	150.7	176	-65.5	177.4	0	0	0	110.9	K173 I263 Q277 V283 L284 A294 L297	K173-L279 HydrophobicContact CB-CD2 4.14Å; K173-L279 HydrophobicContact CD-CD2 4.46Å; K173-L279 HydrophobicContact CG-CD2 4.11Å; I263-L279 HydrophobicContact CG1-CD2 4.25Å; I263-L279 HydrophobicContact CG2-CD1 4.17Å; I263-L279 HydrophobicContact CG2-CD2 4.35Å; Q277-L279 HydrophobicContact CG-CD2 4.09Å; L279-V283 HydrophobicContact CD1-CG1 4.32Å; L279-L284 HydrophobicContact CB-CD1 4.34Å; L279-L284 HydrophobicContact CB-CD2 4.03Å; L279-L284 HydrophobicContact CB-CG 3.91Å; L279-L284 HydrophobicContact CD1-CD2 4.15Å; L279-A294 HydrophobicContact CD1-CB 4.34Å; L279-L297 HydrophobicContact CD1-CD1 3.45Å; L279-L297 VanDerWaalsContact CD1-CD1 3.45Å
280	P	96.8	Very high	91.8	Very high	17 Å²	17	64.6 Å²	64.6	11%	0.11	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-56.4	146.5	170.4	-22.7	32.6	0	0	0	112.1	M174 K234 E282 V283 L284	M174-P280 HydrophobicContact SD-CG 4.04Å; K234-P280 HydrophobicContact CB-CB 3.82Å; K234-P280 HydrophobicContact CB-CG 3.6Å; K234-P280 HydrophobicContact CD-CB 3.76Å; K234-P280 HydrophobicContact CD-CG 4.12Å; K234-P280 HydrophobicContact CG-CB 4.43Å; P280-E282 VanDerWaalsContact CB-OE2 3.27Å; P280-E282 WeakPolarHBondContact CB-OE2 3.45Å; P280-E282 PolarHBondContact O-N 3.37Å; P280-V283 HydrophobicContact CB-CG2 4.16Å; P280-V283 HydrophobicContact CG-CG2 4.18Å; P280-V283 PolarHBondContact O-N 3.24Å; P280-L284 WeakPolarHBondContact O-CG 3.35Å; P280-L284 PolarHBondContact O-N 3.48Å; P280-L284 VanDerWaalsContact O-N 3.1Å
281	A	96.1	Very high	92	Very high	72 Å²	72	65.4 Å²	65.4	60%	0.595	34%	0.339	S	S	*	.	H	α-helix	trans	-59.3	-34.1	-177.9	0	0	0	0	0	112	L284 H285	A281-L284 PolarHBondContact O-N 2.78Å; A281-H285 VanDerWaalsContact O-CB 3.31Å; A281-H285 WeakPolarHBondContact O-CB 3.3Å; A281-H285 PolarHBondContact O-N 3.22Å
282	E	94.8	Very high	92.3	Very high	59 Å²	59	63.6 Å²	63.6	28%	0.276	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-40.9	-179.8	-54.5	88.9	157.2	0	0	111.8	M233 K234 P280 K286	M233-E282 HydrophobicContact CB-CB 4.27Å; M233-E282 HydrophobicContact CE-CB 3.8Å; M233-E282 HydrophobicContact CE-CG 4.2Å; M233-E282 HydrophobicContact SD-CB 3.77Å; K234-E282 IonicContact NZ-OE1 2.68Å; K234-E282 PolarHBondContact NZ-OE1 3.27Å; K234-E282 IonicContact NZ-OE2 3.76Å; P280-E282 VanDerWaalsContact CB-OE2 3.27Å; P280-E282 WeakPolarHBondContact CB-OE2 3.45Å; P280-E282 PolarHBondContact O-N 3.37Å; E282-K286 PolarHBondContact O-N 2.91Å; E282-K286 VanDerWaalsContact O-N 3.1Å
283	V	96.7	Very high	92.8	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-46.6	174.6	176.1	0	0	0	0	109.6	C235 I263 L279 P280 K286 L287 L334	C235-V283 HydrophobicContact CB-CG2 3.93Å; I263-V283 HydrophobicContact CD1-CG1 4.27Å; L279-V283 HydrophobicContact CD1-CG1 4.32Å; P280-V283 HydrophobicContact CB-CG2 4.16Å; P280-V283 HydrophobicContact CG-CG2 4.18Å; P280-V283 PolarHBondContact O-N 3.24Å; V283-K286 PolarHBondContact O-N 3.42Å; V283-L287 HydrophobicContact CG1-CD1 4.1Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 3.02Å; V283-L287 VanDerWaalsContact O-N 3.1Å; V283-L334 HydrophobicContact CG1-CD2 3.92Å
284	L	96.7	Very high	93.6	Very high	13 Å²	13	60 Å²	60	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-45.6	178.4	-73.7	172.2	0	0	0	112.4	L279 P280 A281 L287 G288 I289 A291 A294	L279-L284 HydrophobicContact CB-CD1 4.34Å; L279-L284 HydrophobicContact CB-CD2 4.03Å; L279-L284 HydrophobicContact CB-CG 3.91Å; L279-L284 HydrophobicContact CD1-CD2 4.15Å; P280-L284 WeakPolarHBondContact O-CG 3.35Å; P280-L284 PolarHBondContact O-N 3.48Å; P280-L284 VanDerWaalsContact O-N 3.1Å; A281-L284 PolarHBondContact O-N 2.78Å; L284-L287 CarbonylContact O-C 3.6Å; L284-L287 PolarHBondContact O-N 2.85Å; L284-G288 PolarHBondContact O-N 2.82Å; L284-I289 VanDerWaalsContact CB-O 3.31Å; L284-I289 WeakPolarHBondContact CB-O 3.31Å; L284-I289 HydrophobicContact CD2-CG2 4.49Å; L284-I289 PolarHBondContact O-N 2.63Å; L284-A291 HydrophobicContact CD1-CB 3.75Å; L284-A294 HydrophobicContact CD2-CB 3.87Å
285	H	95.7	Very high	94.4	Very high	159 Å²	159	63.7 Å²	63.7	74%	0.736	32%	0.324	S	S	*	.	H	α-helix	trans	-60.3	-46.8	177.2	-179.9	-97.8	0	0	0	111.8	A281 L287 G288	A281-H285 VanDerWaalsContact O-CB 3.31Å; A281-H285 WeakPolarHBondContact O-CB 3.3Å; A281-H285 PolarHBondContact O-N 3.22Å; H285-L287 VanDerWaalsContact C-N 3.27Å; H285-L287 PolarHBondContact O-N 2.8Å; H285-G288 PolarHBondContact O-N 2.96Å
286	K	95.2	Very high	94.9	Very high	46 Å²	46	63 Å²	63	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-33.7	176.8	-80.1	-166.5	169.7	-172.4	0	113.6	M233 E282 V283 G288 L334 H335	M233-K286 HydrophobicContact SD-CD 3.83Å; M233-K286 WeakPolarHBondContact SD-CE 3.48Å; M233-K286 HydrophobicContact SD-CG 4.38Å; E282-K286 PolarHBondContact O-N 2.91Å; E282-K286 VanDerWaalsContact O-N 3.1Å; V283-K286 PolarHBondContact O-N 3.42Å; K286-G288 VanDerWaalsContact C-N 3.29Å; K286-L334 HydrophobicContact CB-CD2 4.06Å; K286-L334 PolarHBondContact NZ-O 3.19Å; K286-H335 PolarHBondContact NZ-ND1 3.46Å
287	L	95.9	Very high	95.2	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-78.5	-15.6	175.2	-62.7	176	0	0	0	112.6	A56 V283 L284 H285 I289 L297 T330 K333 L334	A56-L287 VanDerWaalsContact CB-O 3.27Å; A56-L287 WeakPolarHBondContact CB-O 3.37Å; V283-L287 HydrophobicContact CG1-CD1 4.1Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 3.02Å; V283-L287 VanDerWaalsContact O-N 3.1Å; L284-L287 CarbonylContact O-C 3.6Å; L284-L287 PolarHBondContact O-N 2.85Å; H285-L287 VanDerWaalsContact C-N 3.27Å; H285-L287 PolarHBondContact O-N 2.8Å; L287-I289 HydrophobicContact CB-CB 4.43Å; L287-I289 HydrophobicContact CB-CD1 3.84Å; L287-I289 HydrophobicContact CB-CG1 4.06Å; L287-L297 HydrophobicContact CD1-CD1 3.94Å; L287-L297 HydrophobicContact CD1-CD2 4.18Å; L287-T330 HydrophobicContact CD2-CG2 3.85Å; L287-K333 HydrophobicContact CD2-CB 4.09Å; L287-L334 HydrophobicContact CD1-CD2 4.48Å; L287-L334 HydrophobicContact CD2-CD2 3.89Å; L287-L334 HydrophobicContact CD2-CG 4.08Å; L287-L334 HydrophobicContact CG-CD2 3.95Å
288	G	95.8	Very high	95.3	Very high	36 Å²	36	60 Å²	60	37%	0.371	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	37.8	-173.7	0	0	0	0	0	112.1	S53 A56 L284 H285 K286	S53-G288 WeakPolarHBondContact CA-O 3.42Å; A56-G288 VanDerWaalsContact CB-O 3.26Å; A56-G288 WeakPolarHBondContact CB-O 3.33Å; L284-G288 PolarHBondContact O-N 2.82Å; H285-G288 PolarHBondContact O-N 2.96Å; K286-G288 VanDerWaalsContact C-N 3.29Å
289	I	95.3	Very high	95.5	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.041	27%	0.267	C	S	.	.			trans	-128.4	130.3	-173.8	-61.5	171.1	0	0	0	109.8	A56 L57 I60 L284 L287 K293 L297	A56-I289 HydrophobicContact CB-CG1 3.8Å; L57-I289 HydrophobicContact CD2-CD1 3.71Å; L57-I289 HydrophobicContact CG-CD1 3.97Å; L57-I289 HydrophobicContact CG-CG1 4.26Å; I60-I289 HydrophobicContact CD1-CD1 4.21Å; L284-I289 VanDerWaalsContact CB-O 3.31Å; L284-I289 WeakPolarHBondContact CB-O 3.31Å; L284-I289 HydrophobicContact CD2-CG2 4.49Å; L284-I289 PolarHBondContact O-N 2.63Å; L287-I289 HydrophobicContact CB-CB 4.43Å; L287-I289 HydrophobicContact CB-CD1 3.84Å; L287-I289 HydrophobicContact CB-CG1 4.06Å; I289-K293 HydrophobicContact CG2-CB 3.7Å; I289-L297 HydrophobicContact CD1-CD1 4.45Å; I289-L297 HydrophobicContact CD1-CD2 3.65Å; I289-L297 HydrophobicContact CD1-CG 4.13Å
290	R	94.6	Very high	95.6	Very high	160 Å²	160	49.8 Å²	49.8	60%	0.604	26%	0.262	S	S	*	.			trans	-68.7	148.7	171.7	-171.3	173.8	177.4	179.5	2	111.5	D51 S53 S292 K293 A294	D51-R290 VanDerWaalsContact OD2-CD 3.31Å; D51-R290 WeakPolarHBondContact OD2-CD 3.47Å; S53-R290 WeakPolarHBondContact OG-CB 3.49Å; S53-R290 PolarHBondContact OG-N 2.86Å; R290-S292 PolarHBondContact O-N 2.91Å; R290-S292 VanDerWaalsContact O-N 3.08Å; R290-K293 WeakPolarHBondContact O-CA 3.45Å; R290-K293 WeakPolarHBondContact O-CB 3.46Å; R290-K293 PolarHBondContact O-N 3.17Å; R290-A294 PolarHBondContact O-N 3.29Å
291	A	94.5	Very high	95.7	Very high	69 Å²	69	49.2 Å²	49.2	57%	0.57	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-51.2	-37.9	-180	0	0	0	0	0	114.3	L284 K293 A294	L284-A291 HydrophobicContact CD1-CB 3.75Å; A291-K293 PolarHBondContact O-N 2.83Å; A291-A294 WeakPolarHBondContact O-CB 3.49Å; A291-A294 PolarHBondContact O-N 2.86Å
292	S	92.4	Very high	95.8	Very high	70 Å²	70	45.8 Å²	45.8	49%	0.49	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.2	-23.1	177.9	55.3	0	0	0	0	113.7	R290	R290-S292 PolarHBondContact O-N 2.91Å; R290-S292 VanDerWaalsContact O-N 3.08Å
293	K	93.2	Very high	96	Very high	69 Å²	69	43.2 Å²	43.2	30%	0.3	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-97.3	-7.9	-177.7	-59.6	-63.1	-174.6	175.7	0	113.1	L57 I289 R290 A291 R295 H296	L57-K293 HydrophobicContact CD1-CB 3.95Å; I289-K293 HydrophobicContact CG2-CB 3.7Å; R290-K293 WeakPolarHBondContact O-CA 3.45Å; R290-K293 WeakPolarHBondContact O-CB 3.46Å; R290-K293 PolarHBondContact O-N 3.17Å; A291-K293 PolarHBondContact O-N 2.83Å; K293-R295 PolarHBondContact O-N 3.01Å; K293-H296 PolarHBondContact O-CD2 2.85Å; K293-H296 PolarHBondContact O-N 2.88Å
294	A	93.7	Very high	96.1	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-55.1	-26.7	177.2	0	0	0	0	0	113.7	L279 L284 R290 A291 H296 L297	L279-A294 HydrophobicContact CD1-CB 4.34Å; L284-A294 HydrophobicContact CD2-CB 3.87Å; R290-A294 PolarHBondContact O-N 3.29Å; A291-A294 WeakPolarHBondContact O-CB 3.49Å; A291-A294 PolarHBondContact O-N 2.86Å; A294-H296 PolarHBondContact O-N 3.17Å; A294-H296 VanDerWaalsContact O-N 3.11Å; A294-L297 WeakPolarHBondContact O-CB 3.13Å; A294-L297 PolarHBondContact O-N 2.92Å; A294-L297 VanDerWaalsContact O-N 3.16Å
295	R	94.2	Very high	96.2	Very high	147 Å²	147	44.2 Å²	44.2	56%	0.555	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-62.5	-11.9	176.1	75.2	-179.8	-61.6	174.9	0.4	115.2	H266 P276 K293	H266-R295 WeakPolarHBondContact NE2-CA 3.34Å; H266-R295 PolarHBondContact NE2-O 2.94Å; H266-R295 VanDerWaalsContact NE2-O 3.1Å; P276-R295 HydrophobicContact CB-CB 3.88Å; P276-R295 HydrophobicContact CG-CB 4.18Å; K293-R295 PolarHBondContact O-N 3.01Å
296	H	95.2	Very high	96.3	Very high	90 Å²	90	36.8 Å²	36.8	42%	0.417	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-101.2	-0.9	-179.8	-60	-67.5	0	0	0	112.4	L57 H61 K293 A294	L57-H296 HydrophobicContact CD1-CB 3.79Å; L57-H296 HydrophobicContact CD2-CB 3.9Å; L57-H296 HydrophobicContact CG-CB 4.48Å; H61-H296 PolarHBondContact CE1-O 2.78Å; H61-H296 PolarHBondContact NE2-O 3.25Å; K293-H296 PolarHBondContact O-CD2 2.85Å; K293-H296 PolarHBondContact O-N 2.88Å; A294-H296 PolarHBondContact O-N 3.17Å; A294-H296 VanDerWaalsContact O-N 3.11Å
297	L	97.2	Very high	96.5	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.042	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67	140.1	174.5	-77.6	165.7	0	0	0	110.8	L57 I60 I263 L279 L287 I289 A294	L57-L297 HydrophobicContact CD2-CD2 4.29Å; L57-L297 HydrophobicContact CD2-CG 4.38Å; I60-L297 HydrophobicContact CD1-CD2 3.7Å; I263-L297 HydrophobicContact CG2-CD1 4.32Å; L279-L297 HydrophobicContact CD1-CD1 3.45Å; L279-L297 VanDerWaalsContact CD1-CD1 3.45Å; L287-L297 HydrophobicContact CD1-CD1 3.94Å; L287-L297 HydrophobicContact CD1-CD2 4.18Å; I289-L297 HydrophobicContact CD1-CD1 4.45Å; I289-L297 HydrophobicContact CD1-CD2 3.65Å; I289-L297 HydrophobicContact CD1-CG 4.13Å; A294-L297 WeakPolarHBondContact O-CB 3.13Å; A294-L297 PolarHBondContact O-N 2.92Å; A294-L297 VanDerWaalsContact O-N 3.16Å
298	P	97.6	Very high	96.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.9	162.2	170.6	33.6	-37.3	0	0	0	110.3	I60 I64 Y97 Y300 F326	I60-P298 HydrophobicContact CG2-CG 3.66Å; I64-P298 HydrophobicContact CD1-CB 3.63Å; I64-P298 HydrophobicContact CD1-CG 3.84Å; Y97-P298 HydrophobicContact CE1-CB 4.38Å; Y97-P298 HydrophobicContact CE2-CB 4.1Å; P298-Y300 HydrophobicContact CG-CE1 4.13Å; P298-Y300 HydrophobicContact CG-CE2 4.05Å; P298-Y300 WeakPolarHBondContact CG-OH 3.37Å; P298-Y300 VanDerWaalsContact O-CD2 3.25Å; P298-Y300 WeakPolarHBondContact O-CD2 3.41Å; P298-Y300 WeakPolarHBondContact O-CE2 3.43Å; P298-F326 HydrophobicContact CB-CD2 4.18Å; P298-F326 HydrophobicContact CB-CE2 3.93Å; P298-F326 HydrophobicContact CG-CD2 3.61Å; P298-F326 HydrophobicContact CG-CE2 3.76Å
299	M	98.1	Very high	96.7	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.034	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-80.4	130.9	172.5	-171.3	175.9	75.3	0	0	110.5	Y97 C138 R251 V262 I263 D265 L301	Y97-M299 HydrophobicContact CE2-CB 4.43Å; Y97-M299 WeakPolarHBondContact CE2-O 3.39Å; Y97-M299 PolarHBondContact OH-N 3.42Å; Y97-M299 VanDerWaalsContact OH-N 3.16Å; C138-M299 HydrophobicContact CB-CB 4.2Å; C138-M299 HydrophobicContact CB-CE 3.69Å; R251-M299 HydrophobicContact CG-SD 4.48Å; V262-M299 HydrophobicContact CG1-CG 3.84Å; I263-M299 WeakPolarHBondContact O-CA 3.23Å; D265-M299 HydrophobicContact CB-CG 4.25Å; D265-M299 HydrophobicContact CB-SD 4.05Å; M299-L301 HydrophobicContact CE-CB 4.1Å; M299-L301 HydrophobicContact CE-CD2 4.25Å; M299-L301 HydrophobicContact CG-CB 4.49Å; M299-L301 PolarHBondContact O-N 3.44Å
300	Y	98.5	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.			trans	-99.6	74.2	-178.5	-62.6	-85.2	0	0	0	111.3	C170 L171 V262 I263 P298 F326 F327 T330	C170-Y300 WeakPolarHBondContact CA-O 3.35Å; C170-Y300 WeakPolarHBondContact CB-O 3.33Å; L171-Y300 HydrophobicContact CB-CG 4.31Å; L171-Y300 HydrophobicContact CD1-CD1 3.86Å; L171-Y300 HydrophobicContact CD1-CD2 4.36Å; L171-Y300 HydrophobicContact CD1-CE1 4.47Å; L171-Y300 HydrophobicContact CD1-CG 3.8Å; L171-Y300 HydrophobicContact CG-CG 4.32Å; L171-Y300 PolarHBondContact N-O 3.28Å; V262-Y300 WeakPolarHBondContact CG1-O 3.34Å; I263-Y300 HydrophobicContact CB-CD2 3.87Å; I263-Y300 HydrophobicContact CB-CE2 4.46Å; I263-Y300 HydrophobicContact CG2-CD2 3.74Å; I263-Y300 HydrophobicContact CG2-CE2 3.82Å; I263-Y300 WeakPolarHBondContact O-CD2 3.29Å; I263-Y300 PolarHBondContact O-N 3.49Å; P298-Y300 HydrophobicContact CG-CE1 4.13Å; P298-Y300 HydrophobicContact CG-CE2 4.05Å; P298-Y300 WeakPolarHBondContact CG-OH 3.37Å; P298-Y300 VanDerWaalsContact O-CD2 3.25Å; P298-Y300 WeakPolarHBondContact O-CD2 3.41Å; P298-Y300 WeakPolarHBondContact O-CE2 3.43Å; Y300-F326 HydrophobicContact CD1-CD2 4.11Å; Y300-F326 AromaticContact CD1-CE2 3.78Å; Y300-F326 HydrophobicContact CD1-CE2 3.78Å; Y300-F326 AromaticContact CE1-CD2 3.57Å; Y300-F326 HydrophobicContact CE1-CD2 3.57Å; Y300-F326 AromaticContact CE1-CE2 3.69Å; Y300-F326 HydrophobicContact CE1-CE2 3.69Å; Y300-F327 HydrophobicContact CD1-CB 4.12Å; Y300-F327 HydrophobicContact CD1-CD1 4.14Å; Y300-F327 HydrophobicContact CD1-CD2 4.09Å; Y300-F327 AromaticContact CD1-CG 3.84Å; Y300-F327 HydrophobicContact CD1-CG 3.84Å; Y300-T330 HydrophobicContact CD1-CG2 4.37Å; Y300-T330 VanDerWaalsContact CE1-CB 3.43Å; Y300-T330 HydrophobicContact CE1-CG2 3.72Å; Y300-T330 WeakPolarHBondContact CE1-OG1 3.1Å; Y300-T330 HydrophobicContact CE2-CG2 4.15Å; Y300-T330 PolarHBondContact OH-OG1 3.19Å
301	L	98.7	Very high	96.9	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.8	174.7	-178.1	58.8	0	0	0	110.1	T139 T140 Y168 C170 I250 R251 V262 M299	T139-L301 WeakPolarHBondContact CA-O 3.47Å; T139-L301 HydrophobicContact CG2-CD2 4.33Å; T139-L301 HydrophobicContact CG2-CG 3.99Å; T139-L301 WeakPolarHBondContact OG1-CD2 3.46Å; T140-L301 PolarHBondContact N-O 3.33Å; T140-L301 PolarHBondContact OG1-O 3.22Å; Y168-L301 HydrophobicContact CD1-CD1 4.32Å; C170-L301 HydrophobicContact CB-CD1 3.89Å; I250-L301 HydrophobicContact CG2-CD1 3.98Å; R251-L301 HydrophobicContact CG-CD2 3.72Å; V262-L301 HydrophobicContact CG1-CB 4.4Å; M299-L301 HydrophobicContact CE-CB 4.1Å; M299-L301 HydrophobicContact CE-CD2 4.25Å; M299-L301 HydrophobicContact CG-CB 4.49Å; M299-L301 PolarHBondContact O-N 3.44Å
302	H	98.8	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.6	-173.5	-178.4	65.7	0	0	0	110.6	T140 G141 Y168 L169 S304 A321 N322 F327	T140-H302 CarbonylContact O-C 3.58Å; T140-H302 WeakPolarHBondContact O-CA 3.1Å; T140-H302 PolarHBondContact OG1-ND1 3.46Å; G141-H302 WeakPolarHBondContact CA-CE1 3.38Å; G141-H302 PolarHBondContact N-ND1 3.35Å; Y168-H302 CarbonylContact C-O 3.43Å; Y168-H302 WeakPolarHBondContact CA-O 3.29Å; L169-H302 PolarHBondContact N-O 3.15Å; L169-H302 PolarHBondContact O-N 2.96Å; H302-S304 PolarHBondContact O-N 3.29Å; H302-S304 VanDerWaalsContact O-N 3.07Å; H302-A321 PolarHBondContact NE2-O 3.21Å; H302-N322 PolarHBondContact CE1-O 2.96Å; H302-N322 PolarHBondContact NE2-O 2.99Å; H302-F327 HydrophobicContact CB-CD2 4.15Å; H302-F327 HydrophobicContact CB-CE2 3.82Å
303	A	98.7	Very high	96.7	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	90.1	170.4	0	0	0	0	0	108.9	L135 T140 G141 L142 K167 Y168	L135-A303 HydrophobicContact CD1-CB 4.1Å; L135-A303 HydrophobicContact CD2-CB 3.89Å; T140-A303 PolarHBondContact O-N 3.34Å; G141-A303 CarbonylContact C-O 3.49Å; G141-A303 VanDerWaalsContact CA-O 3.26Å; G141-A303 WeakPolarHBondContact CA-O 3.17Å; L142-A303 PolarHBondContact N-O 3.33Å; K167-A303 CarbonylContact O-C 3.55Å; Y168-A303 HydrophobicContact CD1-CB 3.83Å; Y168-A303 HydrophobicContact CE1-CB 3.7Å
304	S	98.4	Very high	96.7	Very high	11 Å²	11	39.4 Å²	39.4	8%	0.077	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-37	-168.3	48.3	0	0	0	0	113.1	K167 H302 K320 A321	K167-S304 PolarHBondContact O-N 3.05Å; K167-S304 PolarHBondContact O-OG 3.31Å; H302-S304 PolarHBondContact O-N 3.29Å; H302-S304 VanDerWaalsContact O-N 3.07Å; S304-K320 CarbonylContact O-C 3.52Å; S304-K320 WeakPolarHBondContact O-CA 3.3Å; S304-A321 PolarHBondContact O-N 2.82Å
305	E	98.6	Very high	96.8	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.4	-174.8	-42.6	-168.2	-179.1	0	0	112.8	K166 K167 H318 L319 K320	K166-E305 WeakPolarHBondContact CA-O 3.5Å; K167-E305 HydrophobicContact CB-CB 3.9Å; K167-E305 HydrophobicContact CB-CG 4.21Å; K167-E305 HydrophobicContact CD-CB 4.17Å; K167-E305 HydrophobicContact CD-CG 4.23Å; K167-E305 HydrophobicContact CG-CB 4.18Å; K167-E305 PolarHBondContact N-O 3.14Å; K167-E305 PolarHBondContact O-N 3.04Å; E305-H318 IonicContact OE2-CD2 2.92Å; E305-H318 IonicContact OE2-CE1 3.71Å; E305-H318 PolarHBondContact OE2-CE1 2.92Å; E305-H318 IonicContact OE2-NE2 2.77Å; E305-H318 PolarHBondContact OE2-NE2 3.36Å; E305-L319 VanDerWaalsContact CA-O 3.29Å; E305-L319 WeakPolarHBondContact CA-O 3.42Å; E305-K320 HydrophobicContact CB-CG 4.49Å; E305-K320 VanDerWaalsContact CD-CE 3.43Å; E305-K320 HydrophobicContact CG-CB 4.44Å; E305-K320 HydrophobicContact CG-CD 4.24Å; E305-K320 HydrophobicContact CG-CG 3.9Å; E305-K320 WeakPolarHBondContact OE1-CD 3.44Å; E305-K320 WeakPolarHBondContact OE1-CE 3.43Å; E305-K320 IonicContact OE1-NZ 4Å; E305-K320 PolarHBondContact OE1-NZ 3.39Å; E305-K320 WeakPolarHBondContact OE2-CE 3.18Å; E305-K320 IonicContact OE2-NZ 3.63Å; E305-K320 PolarHBondContact OE2-NZ 3.39Å
306	I	98.6	Very high	96.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.5	170.4	-68.1	178.8	0	0	0	108	L142 M144 V164 T165 K166 I308 H318 L319	L142-I306 HydrophobicContact CB-CD1 3.58Å; L142-I306 HydrophobicContact CB-CG1 3.95Å; L142-I306 HydrophobicContact CD1-CB 4.07Å; L142-I306 HydrophobicContact CD1-CD1 4.29Å; L142-I306 HydrophobicContact CD1-CG1 3.86Å; M144-I306 HydrophobicContact CE-CD1 4.15Å; M144-I306 HydrophobicContact CE-CG2 4.28Å; M144-I306 HydrophobicContact CG-CD1 3.86Å; M144-I306 HydrophobicContact SD-CD1 4.08Å; M144-I306 HydrophobicContact SD-CG2 4.09Å; V164-I306 HydrophobicContact CG1-CG2 3.98Å; T165-I306 WeakPolarHBondContact O-CA 3.46Å; K166-I306 HydrophobicContact CG-CG1 4.39Å; I306-I308 HydrophobicContact CG2-CD1 4.18Å; I306-I308 HydrophobicContact CG2-CG1 3.92Å; I306-H318 WeakPolarHBondContact O-CA 3.48Å; I306-H318 PolarHBondContact O-CD2 3.47Å; I306-L319 PolarHBondContact N-O 3.26Å; I306-L319 PolarHBondContact O-N 3.4Å
307	Q	98.5	Very high	97.1	Very high	66 Å²	66	44 Å²	44	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.4	175.7	-68.7	175	-28.8	0	0	109.3	T165 F317 H318	T165-Q307 PolarHBondContact N-O 3.31Å; T165-Q307 PolarHBondContact O-N 3.25Å; Q307-F317 CarbonylContact C-O 3.58Å; Q307-F317 WeakPolarHBondContact CA-O 3.26Å; Q307-H318 HydrophobicContact CG-CB 4.35Å; Q307-H318 VanDerWaalsContact CG-CD2 3.41Å; Q307-H318 WeakPolarHBondContact CG-CD2 3.26Å; Q307-H318 PolarHBondContact NE2-NE2 3.38Å
308	I	98.4	Very high	97.1	Very high	3 Å²	3	48 Å²	48	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.3	178.6	-44.9	-178.5	0	0	0	107.4	M144 L155 M158 V164 I306 F311 F317	M144-I308 HydrophobicContact CE-CD1 4.21Å; M144-I308 HydrophobicContact SD-CD1 3.97Å; L155-I308 HydrophobicContact CD2-CD1 3.67Å; M158-I308 HydrophobicContact CE-CG2 4.08Å; M158-I308 HydrophobicContact SD-CG2 3.52Å; M158-I308 VanDerWaalsContact SD-CG2 3.52Å; V164-I308 HydrophobicContact CB-CG1 4.46Å; V164-I308 HydrophobicContact CG1-CD1 4.38Å; V164-I308 HydrophobicContact CG1-CG1 4.08Å; V164-I308 HydrophobicContact CG2-CD1 4.11Å; V164-I308 HydrophobicContact CG2-CG1 4.08Å; V164-I308 HydrophobicContact CG2-CG2 4.29Å; I306-I308 HydrophobicContact CG2-CD1 4.18Å; I306-I308 HydrophobicContact CG2-CG1 3.92Å; I308-F311 HydrophobicContact CB-CB 4.04Å; I308-F311 HydrophobicContact CB-CD1 4.23Å; I308-F311 HydrophobicContact CB-CG 4.23Å; I308-F311 HydrophobicContact CD1-CD1 3.97Å; I308-F311 HydrophobicContact CD1-CE1 4Å; I308-F311 HydrophobicContact CD1-CG 4.46Å; I308-F311 HydrophobicContact CD1-CZ 4.47Å; I308-F311 HydrophobicContact CG2-CB 3.71Å; I308-F311 HydrophobicContact CG2-CD1 4.32Å; I308-F311 HydrophobicContact CG2-CD2 4.32Å; I308-F311 HydrophobicContact CG2-CG 3.89Å; I308-F317 HydrophobicContact CB-CB 4.32Å; I308-F317 HydrophobicContact CD1-CD1 4.22Å; I308-F317 HydrophobicContact CG1-CD1 4.28Å; I308-F317 PolarHBondContact N-O 3.23Å; I308-F317 PolarHBondContact O-N 3.33Å
309	P	97.5	Very high	97.1	Very high	61 Å²	61	49 Å²	49	40%	0.396	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	150.6	176.2	30.8	-34	0	0	0	110.7	E163 F311 D316	E163-P309 HydrophobicContact CB-CG 4.47Å; E163-P309 VanDerWaalsContact O-CD 3.26Å; E163-P309 WeakPolarHBondContact O-CD 3.46Å; P309-F311 PolarHBondContact O-N 3.02Å; P309-D316 VanDerWaalsContact CA-OD1 3.3Å; P309-D316 WeakPolarHBondContact CA-OD1 3.28Å
310	D	96.6	Very high	97.1	Very high	111 Å²	111	54.4 Å²	54.4	59%	0.594	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.1	53.3	170.1	-168.7	32.6	0	0	0	114.2	G314 D316	D310-G314 WeakPolarHBondContact OD1-CA 3.49Å; D310-D316 PolarHBondContact N-OD1 3Å
311	F	96.9	Very high	97.1	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.039	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-73.7	-168.8	178.4	-134.6	0	0	0	113.3	L90 E154 L155 M158 I308 P309 R313 R315 F317	L90-F311 HydrophobicContact CD2-CE1 3.79Å; L90-F311 HydrophobicContact CD2-CZ 4.25Å; E154-F311 HydrophobicContact CG-CE2 4.33Å; E154-F311 VanDerWaalsContact OE2-CE2 3.26Å; E154-F311 WeakPolarHBondContact OE2-CE2 3.33Å; L155-F311 HydrophobicContact CD1-CZ 4.09Å; L155-F311 HydrophobicContact CD2-CD2 4.49Å; L155-F311 HydrophobicContact CD2-CE1 4.11Å; L155-F311 HydrophobicContact CD2-CE2 3.56Å; L155-F311 HydrophobicContact CD2-CZ 3.35Å; L155-F311 HydrophobicContact CG-CE2 3.88Å; L155-F311 HydrophobicContact CG-CZ 3.73Å; M158-F311 HydrophobicContact CE-CB 4.15Å; M158-F311 HydrophobicContact CE-CD2 3.74Å; M158-F311 HydrophobicContact CE-CG 4.36Å; M158-F311 HydrophobicContact SD-CD2 3.45Å; M158-F311 WeakPolarHBondContact SD-CD2 3.4Å; M158-F311 HydrophobicContact SD-CE2 3.91Å; M158-F311 HydrophobicContact SD-CG 4.22Å; I308-F311 HydrophobicContact CB-CB 4.04Å; I308-F311 HydrophobicContact CB-CD1 4.23Å; I308-F311 HydrophobicContact CB-CG 4.23Å; I308-F311 HydrophobicContact CD1-CD1 3.97Å; I308-F311 HydrophobicContact CD1-CE1 4Å; I308-F311 HydrophobicContact CD1-CG 4.46Å; I308-F311 HydrophobicContact CD1-CZ 4.47Å; I308-F311 HydrophobicContact CG2-CB 3.71Å; I308-F311 HydrophobicContact CG2-CD1 4.32Å; I308-F311 HydrophobicContact CG2-CD2 4.32Å; I308-F311 HydrophobicContact CG2-CG 3.89Å; P309-F311 PolarHBondContact O-N 3.02Å; F311-R313 PolarHBondContact O-N 2.74Å; F311-R315 PolarHBondContact N-O 3.19Å; F311-F317 HydrophobicContact CB-CB 4.18Å; F311-F317 HydrophobicContact CD1-CB 3.65Å; F311-F317 HydrophobicContact CD1-CD1 4.24Å; F311-F317 HydrophobicContact CD1-CD2 4.33Å; F311-F317 AromaticContact CD1-CG 3.83Å; F311-F317 HydrophobicContact CD1-CG 3.83Å; F311-F317 HydrophobicContact CE1-CD1 4.47Å; F311-F317 HydrophobicContact CE1-CG 4.32Å; F311-F317 HydrophobicContact CG-CB 4.42Å
312	I	92.7	Very high	97	Very high	18 Å²	18	61 Å²	61	9%	0.092	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.7	-177.1	-61.1	-175.8	0	0	0	108.5	Y85 D88 G314 R315 F317	Y85-I312 HydrophobicContact CE1-CD1 4.3Å; Y85-I312 WeakPolarHBondContact OH-CD1 3.48Å; D88-I312 HydrophobicContact CB-CD1 4.35Å; D88-I312 HydrophobicContact CB-CG2 4.34Å; D88-I312 WeakPolarHBondContact OD2-CG2 3.48Å; I312-G314 PolarHBondContact O-N 3.28Å; I312-R315 PolarHBondContact N-O 3.1Å; I312-R315 WeakPolarHBondContact O-CB 3.45Å; I312-R315 PolarHBondContact O-N 2.68Å; I312-F317 HydrophobicContact CD1-CD2 3.68Å; I312-F317 HydrophobicContact CD1-CE2 3.92Å; I312-F317 HydrophobicContact CG1-CD2 4.32Å
313	R	91.7	Very high	97	Very high	204 Å²	204	64.2 Å²	64.2	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	37.8	178.2	-53.7	175.5	-166.3	-178.1	6.5	112.1	D88 F311 R315	D88-R313 IonicContact OD1-CZ 3.71Å; D88-R313 IonicContact OD1-NE 2.68Å; D88-R313 IonicContact OD1-NH2 3.47Å; D88-R313 PolarHBondContact OD1-NH2 3.35Å; F311-R313 PolarHBondContact O-N 2.74Å; R313-R315 VanDerWaalsContact C-N 3.28Å; R313-R315 PolarHBondContact O-N 2.89Å
314	G	91.8	Very high	96.9	Very high	49 Å²	49	65.2 Å²	65.2	51%	0.505	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	18.4	-178.7	0	0	0	0	0	115.3	D310 I312	D310-G314 WeakPolarHBondContact OD1-CA 3.49Å; I312-G314 PolarHBondContact O-N 3.28Å
315	R	95.7	Very high	96.8	Very high	190 Å²	190	72.4 Å²	72.4	72%	0.717	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.8	178.4	-58.9	-176.4	-173.3	178.7	0.7	111.2	F311 I312 R313 F317	F311-R315 PolarHBondContact N-O 3.19Å; I312-R315 PolarHBondContact N-O 3.1Å; I312-R315 WeakPolarHBondContact O-CB 3.45Å; I312-R315 PolarHBondContact O-N 2.68Å; R313-R315 VanDerWaalsContact C-N 3.28Å; R313-R315 PolarHBondContact O-N 2.89Å; R315-F317 PolarHBondContact O-N 3.48Å
316	D	97.2	Very high	96.8	Very high	128 Å²	128	71.4 Å²	71.4	68%	0.684	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	130.7	171.2	-69.6	-6.1	0	0	0	110.5	P309 D310	P309-D316 VanDerWaalsContact CA-OD1 3.3Å; P309-D316 WeakPolarHBondContact CA-OD1 3.28Å; D310-D316 PolarHBondContact N-OD1 3Å
317	F	98.1	Very high	96.8	Very high	20 Å²	20	71.3 Å²	71.3	9%	0.088	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.7	177.5	-179.7	-94.3	0	0	0	109.7	Y85 L90 Q307 I308 F311 I312 R315 L319	Y85-F317 HydrophobicContact CD1-CE2 4.3Å; Y85-F317 HydrophobicContact CD1-CZ 4.26Å; Y85-F317 HydrophobicContact CD2-CE2 4.13Å; Y85-F317 HydrophobicContact CD2-CZ 4.44Å; Y85-F317 HydrophobicContact CE1-CE2 4.02Å; Y85-F317 HydrophobicContact CE1-CZ 4.38Å; Y85-F317 AromaticContact CE2-CE2 3.87Å; Y85-F317 HydrophobicContact CE2-CE2 3.87Å; Y85-F317 HydrophobicContact CG-CE2 4.34Å; Y85-F317 HydrophobicContact CG-CZ 4.27Å; Y85-F317 AromaticContact CZ-CE2 3.79Å; L90-F317 HydrophobicContact CD2-CE1 4.25Å; L90-F317 HydrophobicContact CD2-CE2 4.22Å; L90-F317 HydrophobicContact CD2-CZ 3.82Å; Q307-F317 CarbonylContact C-O 3.58Å; Q307-F317 WeakPolarHBondContact CA-O 3.26Å; I308-F317 HydrophobicContact CB-CB 4.32Å; I308-F317 HydrophobicContact CD1-CD1 4.22Å; I308-F317 HydrophobicContact CG1-CD1 4.28Å; I308-F317 PolarHBondContact N-O 3.23Å; I308-F317 PolarHBondContact O-N 3.33Å; F311-F317 HydrophobicContact CB-CB 4.18Å; F311-F317 HydrophobicContact CD1-CB 3.65Å; F311-F317 HydrophobicContact CD1-CD1 4.24Å; F311-F317 HydrophobicContact CD1-CD2 4.33Å; F311-F317 AromaticContact CD1-CG 3.83Å; F311-F317 HydrophobicContact CD1-CG 3.83Å; F311-F317 HydrophobicContact CE1-CD1 4.47Å; F311-F317 HydrophobicContact CE1-CG 4.32Å; F311-F317 HydrophobicContact CG-CB 4.42Å; I312-F317 HydrophobicContact CD1-CD2 3.68Å; I312-F317 HydrophobicContact CD1-CE2 3.92Å; I312-F317 HydrophobicContact CG1-CD2 4.32Å; R315-F317 PolarHBondContact O-N 3.48Å; F317-L319 HydrophobicContact CE1-CB 3.97Å; F317-L319 HydrophobicContact CE1-CD2 4.47Å; F317-L319 HydrophobicContact CZ-CB 4.15Å; F317-L319 HydrophobicContact CZ-CD2 4.18Å
318	H	98.2	Very high	96.7	Very high	91 Å²	91	69.3 Å²	69.3	42%	0.421	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.7	176.1	-177.7	-165.4	0	0	0	109.7	E305 I306 Q307 K320	E305-H318 IonicContact OE2-CD2 2.92Å; E305-H318 IonicContact OE2-CE1 3.71Å; E305-H318 PolarHBondContact OE2-CE1 2.92Å; E305-H318 IonicContact OE2-NE2 2.77Å; E305-H318 PolarHBondContact OE2-NE2 3.36Å; I306-H318 WeakPolarHBondContact O-CA 3.48Å; I306-H318 PolarHBondContact O-CD2 3.47Å; Q307-H318 HydrophobicContact CG-CB 4.35Å; Q307-H318 VanDerWaalsContact CG-CD2 3.41Å; Q307-H318 WeakPolarHBondContact CG-CD2 3.26Å; Q307-H318 PolarHBondContact NE2-NE2 3.38Å; H318-K320 WeakPolarHBondContact CE1-CE 3.4Å
319	L	98.2	Very high	96.7	Very high	24 Å²	24	72.2 Å²	72.2	13%	0.126	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.4	177.2	-166.8	64.4	0	0	0	110.4	V84 V92 L142 E305 I306 F317	V84-L319 HydrophobicContact CG2-CD2 3.76Å; V84-L319 HydrophobicContact CG2-CG 4.31Å; V92-L319 HydrophobicContact CB-CD2 3.57Å; V92-L319 HydrophobicContact CG1-CD2 3.59Å; V92-L319 HydrophobicContact CG2-CD2 3.76Å; L142-L319 HydrophobicContact CD1-CB 4.25Å; L142-L319 HydrophobicContact CD1-CG 4.35Å; L142-L319 VanDerWaalsContact CD1-O 3.23Å; L142-L319 WeakPolarHBondContact CD1-O 3.41Å; L142-L319 HydrophobicContact CD2-CD2 3.89Å; L142-L319 HydrophobicContact CD2-CG 4.04Å; E305-L319 VanDerWaalsContact CA-O 3.29Å; E305-L319 WeakPolarHBondContact CA-O 3.42Å; I306-L319 PolarHBondContact N-O 3.26Å; I306-L319 PolarHBondContact O-N 3.4Å; F317-L319 HydrophobicContact CE1-CB 3.97Å; F317-L319 HydrophobicContact CE1-CD2 4.47Å; F317-L319 HydrophobicContact CZ-CB 4.15Å; F317-L319 HydrophobicContact CZ-CD2 4.18Å
320	K	98.5	Very high	96.7	Very high	121 Å²	121	69.3 Å²	69.3	53%	0.526	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.6	174.8	-56.9	-164.3	-179.6	-147.7	0	110.6	S304 E305 H318	S304-K320 CarbonylContact O-C 3.52Å; S304-K320 WeakPolarHBondContact O-CA 3.3Å; E305-K320 HydrophobicContact CB-CG 4.49Å; E305-K320 VanDerWaalsContact CD-CE 3.43Å; E305-K320 HydrophobicContact CG-CB 4.44Å; E305-K320 HydrophobicContact CG-CD 4.24Å; E305-K320 HydrophobicContact CG-CG 3.9Å; E305-K320 WeakPolarHBondContact OE1-CD 3.44Å; E305-K320 WeakPolarHBondContact OE1-CE 3.43Å; E305-K320 IonicContact OE1-NZ 4Å; E305-K320 PolarHBondContact OE1-NZ 3.39Å; E305-K320 WeakPolarHBondContact OE2-CE 3.18Å; E305-K320 IonicContact OE2-NZ 3.63Å; E305-K320 PolarHBondContact OE2-NZ 3.39Å; H318-K320 WeakPolarHBondContact CE1-CE 3.4Å
321	A	97.7	Very high	96.7	Very high	10 Å²	10	64.4 Å²	64.4	8%	0.083	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-100.3	139.2	169.5	0	0	0	0	0	110.7	N94 L142 H302 S304	N94-A321 HydrophobicContact CB-CB 4.41Å; L142-A321 HydrophobicContact CD2-CB 3.65Å; L142-A321 HydrophobicContact CG-CB 3.69Å; H302-A321 PolarHBondContact NE2-O 3.21Å; S304-A321 PolarHBondContact O-N 2.82Å
322	N	97.3	Very high	96.6	Very high	135 Å²	135	70.6 Å²	70.6	72%	0.722	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-68.4	136.7	167.8	-70.9	-37.7	0	0	0	110.5	N94 H302	N94-N322 PolarHBondContact ND2-O 3.38Å; H302-N322 PolarHBondContact CE1-O 2.96Å; H302-N322 PolarHBondContact NE2-O 2.99Å
323	I	96.9	Very high	96.7	Very high	66 Å²	66	73.9 Å²	73.9	34%	0.338	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-60.4	135.6	175.4	-61.9	169.1	0	0	0	109.4	L169 F327 A328 I331	L169-I323 HydrophobicContact CD2-CD1 3.33Å; L169-I323 HydrophobicContact CD2-CG1 3.9Å; I323-F327 HydrophobicContact CG2-CB 3.64Å; I323-F327 HydrophobicContact CG2-CD1 3.9Å; I323-F327 HydrophobicContact CG2-CD2 4.47Å; I323-F327 HydrophobicContact CG2-CG 3.76Å; I323-A328 HydrophobicContact CG2-CB 4.27Å; I323-I331 HydrophobicContact CD1-CD1 4.17Å; I323-I331 HydrophobicContact CG2-CD1 4.47Å
324	P	97.2	Very high	96.9	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.175	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.7	151.2	178.7	28.2	-36	0	0	0	112.2	T140 F326 F327 A328	T140-P324 HydrophobicContact CG2-CG 4.14Å; P324-F326 HydrophobicContact CB-CD1 3.84Å; P324-F326 HydrophobicContact CB-CE1 3.64Å; P324-F326 HydrophobicContact CG-CD1 4.02Å; P324-F326 HydrophobicContact CG-CE1 3.44Å; P324-F326 VanDerWaalsContact CG-CE1 3.44Å; P324-F326 HydrophobicContact CG-CZ 4.06Å; P324-F326 PolarHBondContact O-N 3.21Å; P324-F327 HydrophobicContact CG-CB 3.8Å; P324-F327 HydrophobicContact CG-CD2 4.44Å; P324-F327 WeakPolarHBondContact O-CA 3.47Å; P324-F327 WeakPolarHBondContact O-CB 3.45Å; P324-F327 PolarHBondContact O-N 3.47Å; P324-A328 PolarHBondContact O-N 3.41Å
325	K	97.5	Very high	97	Very high	161 Å²	161	68 Å²	68	70%	0.7	32%	0.318	S	S	*	.	H	α-helix	trans	-54.2	-44.6	-171.6	-65.2	179.1	-178.5	174.3	0	113.9	L63 F327 A328 Y329	L63-K325 HydrophobicContact CB-CB 4.14Å; L63-K325 HydrophobicContact CD2-CB 4.2Å; K325-F327 VanDerWaalsContact C-N 3.27Å; K325-F327 PolarHBondContact O-N 3.48Å; K325-A328 PolarHBondContact O-N 3.41Å; K325-Y329 WeakPolarHBondContact O-CB 3.34Å; K325-Y329 PolarHBondContact O-N 3.4Å
326	F	97.7	Very high	96.9	Very high	3 Å²	3	59 Å²	59	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-34.9	179	79.5	-86.8	0	0	0	112.7	I60 L63 I64 Y97 T140 P298 Y300 P324 T330	I60-F326 HydrophobicContact CG2-CB 4.36Å; L63-F326 HydrophobicContact CB-CB 3.77Å; I64-F326 HydrophobicContact CD1-CB 4.16Å; I64-F326 HydrophobicContact CD1-CD1 4.13Å; I64-F326 HydrophobicContact CD1-CD2 3.9Å; I64-F326 HydrophobicContact CD1-CE2 4.35Å; I64-F326 HydrophobicContact CD1-CG 3.79Å; I64-F326 HydrophobicContact CG1-CB 3.66Å; I64-F326 HydrophobicContact CG1-CD1 3.58Å; I64-F326 HydrophobicContact CG1-CD2 4.18Å; I64-F326 HydrophobicContact CG1-CE1 4.27Å; I64-F326 HydrophobicContact CG1-CG 3.53Å; Y97-F326 HydrophobicContact CD2-CE1 4.31Å; Y97-F326 AromaticContact CD2-CZ 3.82Å; Y97-F326 HydrophobicContact CD2-CZ 3.82Å; Y97-F326 HydrophobicContact CE2-CZ 4.38Å; Y97-F326 HydrophobicContact CG-CE1 4.48Å; Y97-F326 HydrophobicContact CG-CZ 4.39Å; T140-F326 HydrophobicContact CG2-CE1 4.27Å; T140-F326 HydrophobicContact CG2-CZ 4.46Å; P298-F326 HydrophobicContact CB-CD2 4.18Å; P298-F326 HydrophobicContact CB-CE2 3.93Å; P298-F326 HydrophobicContact CG-CD2 3.61Å; P298-F326 HydrophobicContact CG-CE2 3.76Å; Y300-F326 HydrophobicContact CD1-CD2 4.11Å; Y300-F326 AromaticContact CD1-CE2 3.78Å; Y300-F326 HydrophobicContact CD1-CE2 3.78Å; Y300-F326 AromaticContact CE1-CD2 3.57Å; Y300-F326 HydrophobicContact CE1-CD2 3.57Å; Y300-F326 AromaticContact CE1-CE2 3.69Å; Y300-F326 HydrophobicContact CE1-CE2 3.69Å; P324-F326 HydrophobicContact CB-CD1 3.84Å; P324-F326 HydrophobicContact CB-CE1 3.64Å; P324-F326 HydrophobicContact CG-CD1 4.02Å; P324-F326 HydrophobicContact CG-CE1 3.44Å; P324-F326 VanDerWaalsContact CG-CE1 3.44Å; P324-F326 HydrophobicContact CG-CZ 4.06Å; P324-F326 PolarHBondContact O-N 3.21Å; F326-T330 WeakPolarHBondContact O-CB 3.45Å; F326-T330 PolarHBondContact O-N 3.03Å; F326-T330 VanDerWaalsContact O-N 3.12Å; F326-T330 PolarHBondContact O-OG1 3.05Å
327	F	98.1	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.8	-48.3	178.2	-164	-39.6	0	0	0	109.2	L169 L171 L237 Y300 H302 I323 P324 K325 Y329 T330 I331	L169-F327 HydrophobicContact CG-CZ 4.41Å; L171-F327 HydrophobicContact CD1-CD1 4.25Å; L171-F327 HydrophobicContact CD1-CE1 3.98Å; L171-F327 HydrophobicContact CD2-CE1 4.13Å; L171-F327 HydrophobicContact CG-CD1 4.34Å; L171-F327 HydrophobicContact CG-CE1 3.58Å; L171-F327 HydrophobicContact CG-CZ 4.04Å; L237-F327 HydrophobicContact CD1-CE1 4.26Å; Y300-F327 HydrophobicContact CD1-CB 4.12Å; Y300-F327 HydrophobicContact CD1-CD1 4.14Å; Y300-F327 HydrophobicContact CD1-CD2 4.09Å; Y300-F327 AromaticContact CD1-CG 3.84Å; Y300-F327 HydrophobicContact CD1-CG 3.84Å; H302-F327 HydrophobicContact CB-CD2 4.15Å; H302-F327 HydrophobicContact CB-CE2 3.82Å; I323-F327 HydrophobicContact CG2-CB 3.64Å; I323-F327 HydrophobicContact CG2-CD1 3.9Å; I323-F327 HydrophobicContact CG2-CD2 4.47Å; I323-F327 HydrophobicContact CG2-CG 3.76Å; P324-F327 HydrophobicContact CG-CB 3.8Å; P324-F327 HydrophobicContact CG-CD2 4.44Å; P324-F327 WeakPolarHBondContact O-CA 3.47Å; P324-F327 WeakPolarHBondContact O-CB 3.45Å; P324-F327 PolarHBondContact O-N 3.47Å; K325-F327 VanDerWaalsContact C-N 3.27Å; K325-F327 PolarHBondContact O-N 3.48Å; F327-Y329 VanDerWaalsContact C-N 3.3Å; F327-Y329 PolarHBondContact O-N 2.9Å; F327-T330 PolarHBondContact O-N 3.2Å; F327-I331 HydrophobicContact CD1-CD1 3.53Å; F327-I331 HydrophobicContact CD1-CG1 3.79Å; F327-I331 HydrophobicContact CE1-CD1 3.64Å; F327-I331 HydrophobicContact CE1-CG1 3.88Å; F327-I331 WeakPolarHBondContact O-CG1 3.47Å; F327-I331 PolarHBondContact O-N 2.96Å
328	A	97.6	Very high	94	Very high	25 Å²	25	63.5 Å²	63.5	21%	0.207	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-38.6	175.7	0	0	0	0	0	112.9	I323 P324 K325 T330 K332	I323-A328 HydrophobicContact CG2-CB 4.27Å; P324-A328 PolarHBondContact O-N 3.41Å; K325-A328 PolarHBondContact O-N 3.41Å; A328-T330 VanDerWaalsContact C-N 3.34Å; A328-K332 PolarHBondContact O-N 3.01Å; A328-K332 VanDerWaalsContact O-N 3.11Å
329	Y	97.2	Very high	91.2	Very high	63 Å²	63	70.7 Å²	70.7	25%	0.247	35%	0.346	C	S	.	.	H	α-helix	trans	-59.2	-45.1	172.6	175.8	-91.6	0	0	0	111.5	I60 L63 K325 F327 K332 K333	I60-Y329 HydrophobicContact CG1-CD1 3.91Å; I60-Y329 HydrophobicContact CG1-CE1 3.78Å; L63-Y329 HydrophobicContact CD1-CD2 4.06Å; L63-Y329 HydrophobicContact CD1-CG 3.84Å; K325-Y329 WeakPolarHBondContact O-CB 3.34Å; K325-Y329 PolarHBondContact O-N 3.4Å; F327-Y329 VanDerWaalsContact C-N 3.3Å; F327-Y329 PolarHBondContact O-N 2.9Å; Y329-K332 WeakPolarHBondContact O-CB 3.33Å; Y329-K332 PolarHBondContact O-N 3.08Å; Y329-K333 HydrophobicContact CD1-CG 4.23Å; Y329-K333 HydrophobicContact CE1-CG 3.77Å; Y329-K333 PolarHBondContact O-N 2.79Å; Y329-K333 WeakPolarHBondContact OH-CE 3.48Å
330	T	97	Very high	90.9	Very high	0 Å²	0	73 Å²	73	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-71.9	-40.4	-177.7	-58.2	0	0	0	0	112.3	L171 L287 Y300 F326 F327 A328 K332 K333 L334	L171-T330 HydrophobicContact CD1-CG2 3.69Å; L287-T330 HydrophobicContact CD2-CG2 3.85Å; Y300-T330 HydrophobicContact CD1-CG2 4.37Å; Y300-T330 VanDerWaalsContact CE1-CB 3.43Å; Y300-T330 HydrophobicContact CE1-CG2 3.72Å; Y300-T330 WeakPolarHBondContact CE1-OG1 3.1Å; Y300-T330 HydrophobicContact CE2-CG2 4.15Å; Y300-T330 PolarHBondContact OH-OG1 3.19Å; F326-T330 WeakPolarHBondContact O-CB 3.45Å; F326-T330 PolarHBondContact O-N 3.03Å; F326-T330 VanDerWaalsContact O-N 3.12Å; F326-T330 PolarHBondContact O-OG1 3.05Å; F327-T330 PolarHBondContact O-N 3.2Å; A328-T330 VanDerWaalsContact C-N 3.34Å; T330-K332 VanDerWaalsContact C-N 3.26Å; T330-K332 PolarHBondContact O-N 2.86Å; T330-K333 PolarHBondContact O-N 3.27Å; T330-L334 HydrophobicContact CG2-CD1 3.92Å; T330-L334 HydrophobicContact CG2-CG 4.32Å; T330-L334 WeakPolarHBondContact O-CB 3.48Å; T330-L334 WeakPolarHBondContact O-CG 3.46Å; T330-L334 PolarHBondContact O-N 2.94Å
331	I	96.6	Very high	90.5	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.046	35%	0.348	C	S	.	.	H	α-helix	trans	-53.5	-47.4	169.8	-70.4	167.6	0	0	0	109.9	L171 L237 I323 F327 L334 H335 L336 R337	L171-I331 HydrophobicContact CD1-CG1 4.31Å; L171-I331 HydrophobicContact CD2-CG1 4.01Å; L237-I331 HydrophobicContact CD1-CD1 4.09Å; L237-I331 HydrophobicContact CD1-CG1 4.28Å; I323-I331 HydrophobicContact CD1-CD1 4.17Å; I323-I331 HydrophobicContact CG2-CD1 4.47Å; F327-I331 HydrophobicContact CD1-CD1 3.53Å; F327-I331 HydrophobicContact CD1-CG1 3.79Å; F327-I331 HydrophobicContact CE1-CD1 3.64Å; F327-I331 HydrophobicContact CE1-CG1 3.88Å; F327-I331 WeakPolarHBondContact O-CG1 3.47Å; F327-I331 PolarHBondContact O-N 2.96Å; I331-L334 PolarHBondContact O-N 3.16Å; I331-H335 PolarHBondContact O-N 3.47Å; I331-H335 VanDerWaalsContact O-N 3.13Å; I331-L336 HydrophobicContact CG2-CB 4.1Å; I331-L336 PolarHBondContact O-N 3.41Å; I331-R337 HydrophobicContact CG2-CB 4.5Å; I331-R337 HydrophobicContact CG2-CG 3.56Å
332	K	96	Very high	90.1	Very high	138 Å²	138	73.8 Å²	73.8	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-46	178.9	-175.5	178.8	179.2	178.1	0	111.3	A328 Y329 T330 L334 H335	A328-K332 PolarHBondContact O-N 3.01Å; A328-K332 VanDerWaalsContact O-N 3.11Å; Y329-K332 WeakPolarHBondContact O-CB 3.33Å; Y329-K332 PolarHBondContact O-N 3.08Å; T330-K332 VanDerWaalsContact C-N 3.26Å; T330-K332 PolarHBondContact O-N 2.86Å; K332-L334 VanDerWaalsContact C-N 3.32Å; K332-L334 PolarHBondContact O-N 3.45Å; K332-H335 PolarHBondContact O-CD2 2.93Å; K332-H335 PolarHBondContact O-N 3.42Å
333	K	95.1	Very high	89.7	Confident	87 Å²	87	70.2 Å²	70.2	38%	0.378	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-36.3	178.2	-80	-68.9	-169.6	172.5	0	113.5	L287 Y329 T330 H335	L287-K333 HydrophobicContact CD2-CB 4.09Å; Y329-K333 HydrophobicContact CD1-CG 4.23Å; Y329-K333 HydrophobicContact CE1-CG 3.77Å; Y329-K333 PolarHBondContact O-N 2.79Å; Y329-K333 WeakPolarHBondContact OH-CE 3.48Å; T330-K333 PolarHBondContact O-N 3.27Å; K333-H335 VanDerWaalsContact C-N 3.28Å; K333-H335 PolarHBondContact O-CD2 2.82Å; K333-H335 PolarHBondContact O-N 2.74Å
334	L	96	Very high	89.2	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-82.3	-6.5	178.9	-64.2	177.3	0	0	0	113.5	L171 I263 V283 K286 L287 T330 I331 K332 L336	L171-L334 HydrophobicContact CD1-CD1 4.21Å; I263-L334 HydrophobicContact CD1-CD1 4.08Å; V283-L334 HydrophobicContact CG1-CD2 3.92Å; K286-L334 HydrophobicContact CB-CD2 4.06Å; K286-L334 PolarHBondContact NZ-O 3.19Å; L287-L334 HydrophobicContact CD1-CD2 4.48Å; L287-L334 HydrophobicContact CD2-CD2 3.89Å; L287-L334 HydrophobicContact CD2-CG 4.08Å; L287-L334 HydrophobicContact CG-CD2 3.95Å; T330-L334 HydrophobicContact CG2-CD1 3.92Å; T330-L334 HydrophobicContact CG2-CG 4.32Å; T330-L334 WeakPolarHBondContact O-CB 3.48Å; T330-L334 WeakPolarHBondContact O-CG 3.46Å; T330-L334 PolarHBondContact O-N 2.94Å; I331-L334 PolarHBondContact O-N 3.16Å; K332-L334 VanDerWaalsContact C-N 3.32Å; K332-L334 PolarHBondContact O-N 3.45Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 HydrophobicContact CB-CD1 3.8Å; L334-L336 HydrophobicContact CB-CG 3.85Å; L334-L336 HydrophobicContact CD1-CD1 4.1Å
335	H	94	Very high	88.7	Confident	130 Å²	130	73.4 Å²	73.4	60%	0.602	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	39.6	-174.7	-53.1	-176.9	0	0	0	112.4	K286 I331 K332 K333	K286-H335 PolarHBondContact NZ-ND1 3.46Å; I331-H335 PolarHBondContact O-N 3.47Å; I331-H335 VanDerWaalsContact O-N 3.13Å; K332-H335 PolarHBondContact O-CD2 2.93Å; K332-H335 PolarHBondContact O-N 3.42Å; K333-H335 VanDerWaalsContact C-N 3.28Å; K333-H335 PolarHBondContact O-CD2 2.82Å; K333-H335 PolarHBondContact O-N 2.74Å
336	L	91.8	Very high	88	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.328	C	S	.	.			trans	-102	19.7	-178.6	-64.2	174.7	0	0	0	113.2	L171 K230 L237 I331 L334	L171-L336 HydrophobicContact CD2-CD1 3.62Å; K230-L336 HydrophobicContact CG-CB 4.45Å; K230-L336 HydrophobicContact CG-CD2 4.22Å; L237-L336 HydrophobicContact CB-CB 4.31Å; I331-L336 HydrophobicContact CG2-CB 4.1Å; I331-L336 PolarHBondContact O-N 3.41Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 HydrophobicContact CB-CD1 3.8Å; L334-L336 HydrophobicContact CB-CG 3.85Å; L334-L336 HydrophobicContact CD1-CD1 4.1Å
337	R	78.2	Confident	87.3	Confident	144 Å²	144	72.1 Å²	72.1	54%	0.543	35%	0.352	S	S	.	.	S	Bend	trans	-82.3	144.2	168	-67.1	-166.7	176.1	-179.9	-5.2	109.3	I331	I331-R337 HydrophobicContact CG2-CB 4.5Å; I331-R337 HydrophobicContact CG2-CG 3.56Å
338	S	58	Low	86.4	Confident	98 Å²	98	78.1 Å²	78.1	69%	0.685	38%	0.382	S	S	*	.			trans	-63.1	138.2	152.3	57.9	0	0	0	0	107.6
339	L	39.5	Very low	85.4	Confident	242 Å²	242	82.9 Å²	82.9	100%	1.267	40%	0.398	S	S	*	.			trans	-56.4	0	174.7	-78.9	166.6	0	0	0	111

Retrieved 339 of 339 residues in 156.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).