A0A096NFI3_PAPAN Loading...

LIM and cysteine-rich domains protein 1

Transcriptional cofactor that restricts GATA6 function by inhibiting DNA-binding, resulting in repression of GATA6 transcriptional activation of downstream target genes. Represses GATA6-mediated trans activation of lung- and cardiac tissue-specific promoters. Inhibits DNA-binding by GATA4 and GATA1 to the cTNC promoter. Plays a critical role in the development of cardiac hypertrophy via activation of calcineurin/nuclear factor of activated T-cells signaling pathway.

AlphaFold DB (A0A663D7M2), UniProt , Accession A0A096NFI3, Species PAPAN (Papio anubis, Olive baboon), Gene LMCD1, Length 365 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	34.3	Very low	30.9	Very low	250 Å²	250	140.7 Å²	140.7	100%	1.232	79%	0.792	S	S	*	*				0	93	0	-74.1	-77.5	-177.6	0	0	108.5
2	A	27.2	Very low	31.4	Very low	105 Å²	105	136.8 Å²	136.8	87%	0.868	77%	0.773	S	S	*	*			trans	-143	140.3	168.6	0	0	0	0	0	108.3
3	K	28.6	Very low	31.7	Very low	216 Å²	216	137 Å²	137	94%	0.939	76%	0.76	S	S	*	*			trans	-62.7	144.4	-151.8	-97.8	164.3	165.6	172.1	0	115.6
4	V	29.7	Very low	31.7	Very low	139 Å²	139	139 Å²	139	84%	0.842	76%	0.757	S	S	*	*			trans	-70.3	144.8	172.2	171.5	0	0	0	0	112.3
5	A	35.6	Very low	31.8	Very low	90 Å²	90	139.7 Å²	139.7	74%	0.744	76%	0.756	S	S	*	*			trans	-16.6	139	164.1	0	0	0	0	0	120.1
6	K	29.3	Very low	32.7	Very low	191 Å²	191	131.9 Å²	131.9	83%	0.83	72%	0.715	S	S	*	*			trans	-165.1	135	152.9	-90.6	-169.9	-176.5	179.2	0	105.7
7	D	28	Very low	33.7	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	70%	0.696	S	S	*	*			cis	-152.8	136.6	15.1	-79.9	-49.9	0	0	0	108.4
8	L	34.8	Very low	34.5	Very low	161 Å²	161	123.2 Å²	123.2	84%	0.843	68%	0.677	S	S	*	*			trans	-92.2	129.9	165.3	-77.7	164.5	0	0	0	108.3	P10	L8-P10 WeakPolarHBondContact O-CD 3.38Å
9	N	31.5	Very low	35.4	Very low	127 Å²	127	120.9 Å²	120.9	68%	0.679	66%	0.66	S	S	*	*			trans	-46.1	113.1	-174.3	-166	-8.6	0	0	0	113.6	G11	N9-G11 VanDerWaalsContact C-N 3.3Å; N9-G11 PolarHBondContact O-N 2.79Å; N9-G11 PolarHBondContact OD1-N 2.94Å
10	P	32.2	Very low	36.5	Very low	92 Å²	92	115.9 Å²	115.9	60%	0.597	63%	0.633	S	S	*	*	S	Bend	trans	-72.8	-12.4	-177.6	-18	30.7	0	0	0	115.4	L8	L8-P10 WeakPolarHBondContact O-CD 3.38Å
11	G	28.9	Very low	37.5	Very low	38 Å²	38	116.5 Å²	116.5	39%	0.392	63%	0.631	S	S	.	*	H	α-helix	trans	-70.1	-37.7	-168.3	0	0	0	0	0	114.9	N9	N9-G11 VanDerWaalsContact C-N 3.3Å; N9-G11 PolarHBondContact O-N 2.79Å; N9-G11 PolarHBondContact OD1-N 2.94Å
12	V	37.5	Very low	38.7	Very low	94 Å²	94	109.9 Å²	109.9	57%	0.57	61%	0.609	S	S	*	*	H	α-helix	trans	-81.1	-28.7	-172.8	-173.4	0	0	0	0	112	K14	V12-K14 PolarHBondContact O-N 3.41Å
13	K	34.7	Very low	40.7	Very low	139 Å²	139	105.4 Å²	105.4	60%	0.604	57%	0.573	S	S	*	*	H	α-helix	trans	-73	-24.2	177.1	-75.5	-178.7	179.5	174.7	0	113.8
14	K	32.2	Very low	43.1	Very low	165 Å²	165	103.4 Å²	103.4	72%	0.717	56%	0.559	S	S	*	*	H	α-helix	trans	-73.1	-32.2	-175.2	-99.4	-178.6	175	-179.9	0	113.6	V12 G18	V12-K14 PolarHBondContact O-N 3.41Å; K14-G18 PolarHBondContact O-N 3.21Å
15	M	32.2	Very low	45.5	Very low	149 Å²	149	98.9 Å²	98.9	73%	0.734	54%	0.541	S	S	*	.	H	α-helix	trans	-74.8	-39.6	-173.5	-64.8	-156.3	-146.8	0	0	113.8	Q19	M15-Q19 PolarHBondContact O-N 2.93Å
16	S	47.5	Very low	47.8	Very low	15 Å²	15	97.3 Å²	97.3	11%	0.105	52%	0.522	C	S	.	.	H	α-helix	trans	-75.3	-33.2	-178.1	62.5	0	0	0	0	113.2	L20	S16-L20 WeakPolarHBondContact O-CD1 3.32Å
17	L	48.3	Very low	50.4	Low	74 Å²	74	91.5 Å²	91.5	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-72.5	-37	173.5	-85.8	154.6	0	0	0	112.5	Q19 L20 Q21	L17-Q19 PolarHBondContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 3.23Å; L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.37Å; L17-Q21 PolarHBondContact O-N 3.15Å
18	G	48	Very low	53.2	Low	34 Å²	34	85.5 Å²	85.5	35%	0.351	48%	0.478	S	S	.	.	H	α-helix	trans	-63.3	-39.3	179.9	0	0	0	0	0	113.5	K14 Q21 S22	K14-G18 PolarHBondContact O-N 3.21Å; G18-Q21 PolarHBondContact O-N 3.25Å; G18-S22 PolarHBondContact O-N 3.18Å
19	Q	53.1	Low	55.5	Low	79 Å²	79	82.3 Å²	82.3	37%	0.369	46%	0.461	S	S	.	.	H	α-helix	trans	-70.4	-35.7	179.5	-145.6	170.2	4.3	0	0	112.2	M15 L17 E64	M15-Q19 PolarHBondContact O-N 2.93Å; L17-Q19 PolarHBondContact O-N 3.08Å; Q19-E64 PolarHBondContact NE2-OE1 3.4Å
20	L	56.6	Low	57.8	Low	20 Å²	20	78.2 Å²	78.2	11%	0.105	45%	0.449	C	S	.	.	H	α-helix	trans	-72.7	-27.4	173.3	-92.3	103.7	0	0	0	113.7	S16 L17 A23 F38 P40	S16-L20 WeakPolarHBondContact O-CD1 3.32Å; L17-L20 PolarHBondContact O-N 3.23Å; L20-A23 PolarHBondContact O-N 3.46Å; L20-F38 HydrophobicContact CD2-CE1 4.13Å; L20-F38 HydrophobicContact CD2-CZ 4.09Å; L20-P40 HydrophobicContact CB-CB 4.14Å; L20-P40 HydrophobicContact CD2-CB 3.86Å
21	Q	57.7	Low	60.2	Low	130 Å²	130	74.6 Å²	74.6	61%	0.607	43%	0.426	S	S	*	.	H	α-helix	trans	-71.9	-33.9	176.6	-77.7	174.5	-4.8	0	0	111.7	L17 G18 A23 R24	L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.37Å; L17-Q21 PolarHBondContact O-N 3.15Å; G18-Q21 PolarHBondContact O-N 3.25Å; Q21-A23 PolarHBondContact O-N 3.2Å; Q21-R24 PolarHBondContact O-N 3.38Å
22	S	59.7	Low	62.7	Low	110 Å²	110	82.5 Å²	82.5	77%	0.769	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.3	174.4	-167.6	0	0	0	0	113.5	G18	G18-S22 PolarHBondContact O-N 3.18Å
23	A	67.9	Low	64.6	Low	12 Å²	12	81 Å²	81	10%	0.099	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.2	-178.9	0	0	0	0	0	113.9	L20 Q21 G25 V26 F38 L59	L20-A23 PolarHBondContact O-N 3.46Å; Q21-A23 PolarHBondContact O-N 3.2Å; A23-G25 PolarHBondContact O-N 3.26Å; A23-V26 VanDerWaalsContact O-CG2 3.27Å; A23-V26 WeakPolarHBondContact O-CG2 3.47Å; A23-V26 PolarHBondContact O-N 3.23Å; A23-F38 HydrophobicContact CB-CD1 4Å; A23-F38 HydrophobicContact CB-CE1 4.35Å; A23-L59 HydrophobicContact CB-CD1 4.08Å; A23-L59 HydrophobicContact CB-CD2 3.6Å; A23-L59 HydrophobicContact CB-CG 4.28Å
24	R	79.4	Confident	66.8	Low	173 Å²	173	80.3 Å²	80.3	65%	0.653	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	132.8	-176.6	-178.7	177.6	-93.1	-175.1	-9.2	110.7	Q21 F38	Q21-R24 PolarHBondContact O-N 3.38Å; R24-F38 WeakPolarHBondContact CA-O 3.34Å
25	G	81.3	Confident	69.4	Low	44 Å²	44	73.2 Å²	73.2	45%	0.454	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-2.5	177.2	0	0	0	0	0	115.3	A23 A27 F38	A23-G25 PolarHBondContact O-N 3.26Å; G25-A27 PolarHBondContact O-N 2.99Å; G25-F38 PolarHBondContact N-O 3.34Å
26	V	82.8	Confident	72.1	Confident	57 Å²	57	71.8 Å²	71.8	35%	0.345	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-62.9	128.9	175	179.2	0	0	0	0	110.3	A23 G37 F38 H57 L59	A23-V26 VanDerWaalsContact O-CG2 3.27Å; A23-V26 WeakPolarHBondContact O-CG2 3.47Å; A23-V26 PolarHBondContact O-N 3.23Å; V26-G37 CarbonylContact O-C 3.58Å; V26-G37 VanDerWaalsContact O-CA 3.22Å; V26-G37 WeakPolarHBondContact O-CA 3.4Å; V26-F38 HydrophobicContact CB-CB 4.39Å; V26-F38 PolarHBondContact O-N 2.8Å; V26-H57 WeakPolarHBondContact CG1-O 3.45Å; V26-H57 PolarHBondContact O-ND1 3.49Å; V26-L59 HydrophobicContact CB-CD2 3.81Å; V26-L59 HydrophobicContact CG1-CD2 4.06Å; V26-L59 HydrophobicContact CG2-CD2 3.98Å
27	A	85.2	Confident	74	Confident	70 Å²	70	71.2 Å²	71.2	58%	0.579	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-58.4	146.4	-176.1	0	0	0	0	0	112.3	G25 H57	G25-A27 PolarHBondContact O-N 2.99Å; A27-H57 PolarHBondContact O-ND1 3.16Å
28	C	86.6	Confident	75.9	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.088	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-91.4	125.8	173.6	-172	0	0	0	0	109.7	G30 C31 C52 H57	C28-G30 PolarHBondContact SG-N 2.92Å; C28-G30 VanDerWaalsContact SG-N 3.4Å; C28-C31 HydrophobicContact CB-CB 4.38Å; C28-C31 WeakPolarHBondContact CB-SG 3.46Å; C28-C31 PolarHBondContact SG-N 2.91Å; C28-C31 VanDerWaalsContact SG-N 3.38Å; C28-C52 VanDerWaalsContact SG-SG 3.66Å; C28-H57 WeakPolarHBondContact CB-CE1 3.47Å
29	L	82	Confident	77.8	Confident	93 Å²	93	69.2 Å²	69.2	49%	0.487	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-26.7	173.8	-58.3	-177.7	0	0	0	111.8	D56 C58 F151	L29-D56 PolarHBondContact N-O 3.44Å; L29-C58 WeakPolarHBondContact CD1-SG 3.42Å; L29-F151 HydrophobicContact CD1-CB 4.21Å; L29-F151 HydrophobicContact CD1-CD1 3.79Å; L29-F151 HydrophobicContact CD1-CE1 4.45Å; L29-F151 HydrophobicContact CD1-CG 4.12Å
30	G	79.8	Confident	79.3	Confident	41 Å²	41	66.2 Å²	66.2	42%	0.423	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-35.6	-177.1	0	0	0	0	0	114.7	C28	C28-G30 PolarHBondContact SG-N 2.92Å; C28-G30 VanDerWaalsContact SG-N 3.4Å
31	C	83.5	Confident	80.6	Confident	17 Å²	17	65.6 Å²	65.6	12%	0.115	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	12.6	-169.9	83.2	0	0	0	0	114.7	C28 G33 T34 C35 C50	C28-C31 HydrophobicContact CB-CB 4.38Å; C28-C31 WeakPolarHBondContact CB-SG 3.46Å; C28-C31 PolarHBondContact SG-N 2.91Å; C28-C31 VanDerWaalsContact SG-N 3.38Å; C31-G33 PolarHBondContact O-N 2.83Å; C31-T34 WeakPolarHBondContact O-CB 3.31Å; C31-T34 PolarHBondContact O-N 3.26Å; C31-T34 PolarHBondContact O-OG1 2.91Å; C31-C35 PolarHBondContact SG-N 2.85Å; C31-C35 PolarHBondContact SG-SG 2.95Å; C31-C50 HydrophobicContact CB-CB 3.99Å
32	K	80.2	Confident	81.8	Confident	204 Å²	204	63 Å²	63	89%	0.887	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	39	174.9	-57.2	-174.8	179.7	-175.4	0	114.3
33	G	77.8	Confident	83.1	Confident	62 Å²	62	59.7 Å²	59.7	64%	0.639	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	5.7	179	0	0	0	0	0	116.9	C31 C35	C31-G33 PolarHBondContact O-N 2.83Å; G33-C35 PolarHBondContact O-N 3.38Å
34	T	81.9	Confident	84	Confident	125 Å²	125	59.8 Å²	59.8	77%	0.767	36%	0.361	S	S	*	.	S	Bend	trans	-61.9	-24.7	175.8	-52	0	0	0	0	114	C31	C31-T34 WeakPolarHBondContact O-CB 3.31Å; C31-T34 PolarHBondContact O-N 3.26Å; C31-T34 PolarHBondContact O-OG1 2.91Å
35	C	86.6	Confident	84.3	Confident	16 Å²	16	52.3 Å²	52.3	11%	0.108	33%	0.334	C	S	.	.	S	Bend	trans	-109.9	152.9	170.3	64.1	0	0	0	0	112.3	C31 G33 G37 C50	C31-C35 PolarHBondContact SG-N 2.85Å; C31-C35 PolarHBondContact SG-SG 2.95Å; G33-C35 PolarHBondContact O-N 3.38Å; C35-G37 PolarHBondContact O-N 3.37Å; C35-C50 HydrophobicContact CB-CB 3.74Å
36	S	87.9	Confident	84.6	Confident	118 Å²	118	52.2 Å²	52.2	83%	0.825	32%	0.322	S	S	*	.	S	Bend	trans	-71.7	20	171.4	59.9	0	0	0	0	114.3
37	G	87.1	Confident	84.8	Confident	4 Å²	4	49.5 Å²	49.5	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	103.4	175.7	-174.6	0	0	0	0	0	113.9	V26 C35 E39	V26-G37 CarbonylContact O-C 3.58Å; V26-G37 VanDerWaalsContact O-CA 3.22Å; V26-G37 WeakPolarHBondContact O-CA 3.4Å; C35-G37 PolarHBondContact O-N 3.37Å; G37-E39 PolarHBondContact O-N 2.98Å
38	F	88.3	Confident	84.9	Confident	1 Å²	1	50 Å²	50	0%	0.004	30%	0.295	C	S	.	.			trans	-61.8	128.8	-172.2	-176.1	-117.2	0	0	0	111.4	L20 A23 R24 G25 V26 P40 C47 Q54 H57 L59	L20-F38 HydrophobicContact CD2-CE1 4.13Å; L20-F38 HydrophobicContact CD2-CZ 4.09Å; A23-F38 HydrophobicContact CB-CD1 4Å; A23-F38 HydrophobicContact CB-CE1 4.35Å; R24-F38 WeakPolarHBondContact CA-O 3.34Å; G25-F38 PolarHBondContact N-O 3.34Å; V26-F38 HydrophobicContact CB-CB 4.39Å; V26-F38 PolarHBondContact O-N 2.8Å; F38-P40 HydrophobicContact CE1-CB 3.79Å; F38-P40 HydrophobicContact CZ-CB 4.19Å; F38-C47 HydrophobicContact CD2-CB 3.82Å; F38-C47 HydrophobicContact CE2-CB 4.08Å; F38-Q54 HydrophobicContact CE2-CG 3.75Å; F38-Q54 HydrophobicContact CZ-CG 3.65Å; F38-H57 VanDerWaalsContact CA-CE1 3.41Å; F38-H57 WeakPolarHBondContact CA-CE1 3.15Å; F38-H57 HydrophobicContact CB-CB 4.19Å; F38-H57 WeakPolarHBondContact CB-ND1 3.48Å; F38-H57 HydrophobicContact CD2-CB 4.13Å; F38-H57 AromaticContact CD2-CD2 3.59Å; F38-H57 AromaticContact CD2-CG 3.7Å; F38-H57 AromaticContact CD2-NE2 3.86Å; F38-H57 HydrophobicContact CG-CB 4.33Å; F38-H57 PolarHBondContact N-CE1 3.25Å; F38-L59 HydrophobicContact CB-CD2 4.31Å; F38-L59 HydrophobicContact CD1-CD1 3.64Å; F38-L59 HydrophobicContact CD1-CD2 4.09Å; F38-L59 HydrophobicContact CD2-CD1 4.23Å; F38-L59 HydrophobicContact CE1-CD1 3.43Å; F38-L59 VanDerWaalsContact CE1-CD1 3.43Å; F38-L59 HydrophobicContact CE2-CD1 4.07Å; F38-L59 HydrophobicContact CG-CD1 4.04Å; F38-L59 HydrophobicContact CG-CD2 4.19Å; F38-L59 HydrophobicContact CZ-CD1 3.68Å
39	E	87.8	Confident	85	Confident	64 Å²	64	51.8 Å²	51.8	30%	0.299	31%	0.307	S	S	.	.			trans	-121	112.6	171.8	-166.9	-167.3	162.3	0	0	109.4	G37 C47 K48 S49	G37-E39 PolarHBondContact O-N 2.98Å; E39-C47 PolarHBondContact N-SG 3.32Å; E39-C47 CarbonylContact O-C 3.59Å; E39-C47 WeakPolarHBondContact O-CA 3.5Å; E39-K48 HydrophobicContact CB-CB 4.04Å; E39-K48 HydrophobicContact CG-CB 4.06Å; E39-K48 HydrophobicContact CG-CD 4.09Å; E39-K48 PolarHBondContact O-N 3.49Å; E39-K48 WeakPolarHBondContact OE1-CD 3.23Å; E39-S49 WeakPolarHBondContact CB-OG 3.47Å; E39-S49 PolarHBondContact OE2-OG 2.78Å
40	P	84.8	Confident	85.3	Confident	17 Å²	17	48.6 Å²	48.6	11%	0.11	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-70.8	137.8	-171.1	26.1	-34.2	0	0	0	112.5	L20 F38 K48	L20-P40 HydrophobicContact CB-CB 4.14Å; L20-P40 HydrophobicContact CD2-CB 3.86Å; F38-P40 HydrophobicContact CE1-CB 3.79Å; F38-P40 HydrophobicContact CZ-CB 4.19Å; P40-K48 WeakPolarHBondContact O-CD 3.42Å; P40-K48 WeakPolarHBondContact O-CE 3.44Å
41	H	84.9	Confident	85.6	Confident	7 Å²	7	52 Å²	52	3%	0.032	30%	0.296	C	S	.	.			trans	-82.8	149.3	165.5	-155.2	-67.8	0	0	0	112.2	W43 R44 K48 R172 E339	H41-W43 AromaticContact CE1-CD1 3.54Å; H41-W43 AromaticContact CE1-CE2 3.82Å; H41-W43 AromaticContact CE1-NE1 3.28Å; H41-W43 PolarHBondContact CE1-NE1 2.73Å; H41-W43 VanDerWaalsContact CE1-NE1 3.28Å; H41-W43 AromaticContact ND1-CD1 3.61Å; H41-W43 AromaticContact ND1-CG 3.93Å; H41-W43 PolarHBondContact ND1-N 3.25Å; H41-W43 AromaticContact ND1-NE1 3.82Å; H41-W43 PolarHBondContact O-N 3.25Å; H41-W43 VanDerWaalsContact O-N 3.15Å; H41-R44 HydrophobicContact CB-CB 3.82Å; H41-R44 WeakPolarHBondContact CB-O 3.42Å; H41-R44 PolarHBondContact CE1-NH1 3.4Å; H41-R44 PolarHBondContact ND1-N 3.04Å; H41-R44 PolarHBondContact NE2-NH1 2.9Å; H41-K48 HydrophobicContact CB-CG 4.17Å; H41-R172 PolarHBondContact O-NH1 2.83Å; H41-E339 IonicContact CE1-OE1 3.87Å; H41-E339 IonicContact NE2-OE1 3.31Å; H41-E339 PolarHBondContact NE2-OE1 3.28Å
42	S	83.1	Confident	85.8	Confident	75 Å²	75	52.4 Å²	52.4	52%	0.524	30%	0.299	S	S	.	.	S	Bend	trans	-61.6	-17.5	174.4	53.2	0	0	0	0	114.6	R172	S42-R172 PolarHBondContact O-NH1 3.43Å
43	W	86.1	Confident	86	Confident	40 Å²	40	44.1 Å²	44.1	15%	0.152	27%	0.266	C	S	.	.	S	Bend	trans	-157.5	-32.3	-177.8	64	-97.5	0	0	0	113.8	H41 R172 C311 H332 V334	H41-W43 AromaticContact CE1-CD1 3.54Å; H41-W43 AromaticContact CE1-CE2 3.82Å; H41-W43 AromaticContact CE1-NE1 3.28Å; H41-W43 PolarHBondContact CE1-NE1 2.73Å; H41-W43 VanDerWaalsContact CE1-NE1 3.28Å; H41-W43 AromaticContact ND1-CD1 3.61Å; H41-W43 AromaticContact ND1-CG 3.93Å; H41-W43 PolarHBondContact ND1-N 3.25Å; H41-W43 AromaticContact ND1-NE1 3.82Å; H41-W43 PolarHBondContact O-N 3.25Å; H41-W43 VanDerWaalsContact O-N 3.15Å; W43-R172 VanDerWaalsContact N-NH1 3.18Å; W43-C311 HydrophobicContact CE3-CB 3.84Å; W43-C311 HydrophobicContact CZ3-CB 4.24Å; W43-H332 AromaticContact CD2-CD2 3.61Å; W43-H332 AromaticContact CD2-NE2 3.84Å; W43-H332 HydrophobicContact CE3-CB 4.21Å; W43-H332 AromaticContact CE3-CD2 3.3Å; W43-H332 AromaticContact CE3-CE1 3.87Å; W43-H332 AromaticContact CE3-CG 3.54Å; W43-H332 AromaticContact CE3-ND1 3.85Å; W43-H332 AromaticContact CE3-NE2 3.55Å; W43-H332 HydrophobicContact CH2-CB 3.69Å; W43-H332 AromaticContact CH2-CD2 3.99Å; W43-H332 AromaticContact CH2-CG 3.92Å; W43-H332 HydrophobicContact CZ3-CB 3.45Å; W43-H332 VanDerWaalsContact CZ3-CB 3.45Å; W43-H332 AromaticContact CZ3-CD2 3.48Å; W43-H332 VanDerWaalsContact CZ3-CD2 3.48Å; W43-H332 WeakPolarHBondContact CZ3-CD2 3.34Å; W43-H332 AromaticContact CZ3-CG 3.3Å; W43-H332 AromaticContact CZ3-ND1 3.84Å; W43-V334 HydrophobicContact CH2-CG2 4.03Å; W43-V334 HydrophobicContact CZ2-CG2 3.59Å
44	R	87.4	Confident	86.3	Confident	15 Å²	15	43 Å²	43	6%	0.057	24%	0.244	C	C	.	.			trans	-69.9	147.8	174.1	-58.1	-175.9	170.8	103.2	-7.6	111.8	H41 I46 G310 V334 E339	H41-R44 HydrophobicContact CB-CB 3.82Å; H41-R44 WeakPolarHBondContact CB-O 3.42Å; H41-R44 PolarHBondContact CE1-NH1 3.4Å; H41-R44 PolarHBondContact ND1-N 3.04Å; H41-R44 PolarHBondContact NE2-NH1 2.9Å; R44-I46 VanDerWaalsContact C-N 3.26Å; R44-I46 HydrophobicContact CB-CD1 4.41Å; R44-I46 HydrophobicContact CB-CG1 3.89Å; R44-I46 PolarHBondContact O-N 2.98Å; R44-G310 WeakPolarHBondContact CA-O 3.48Å; R44-V334 VanDerWaalsContact NH2-CG2 3.34Å; R44-E339 IonicContact NH1-OE1 3.27Å; R44-E339 PolarHBondContact NH1-OE1 3.37Å
45	K	85.9	Confident	86.4	Confident	16 Å²	16	38.1 Å²	38.1	7%	0.07	21%	0.213	C	C	.	.	S	Bend	trans	-95.6	38.2	175.7	-62.3	-169.6	-164.2	129.4	0	113.5	Q54 Y164 C311 D312 E313	K45-Q54 PolarHBondContact O-N 2.88Å; K45-Q54 VanDerWaalsContact O-N 3.14Å; K45-Y164 HydrophobicContact CD-CD1 4.02Å; K45-Y164 HydrophobicContact CD-CE1 3.34Å; K45-Y164 HydrophobicContact CD-CE2 4.38Å; K45-Y164 VanDerWaalsContact CE-CD1 3.45Å; K45-Y164 VanDerWaalsContact NZ-CD1 3.28Å; K45-C311 WeakPolarHBondContact CD-O 3.42Å; K45-C311 WeakPolarHBondContact CE-O 3.34Å; K45-C311 WeakPolarHBondContact CG-O 3.46Å; K45-C311 PolarHBondContact NZ-O 3.39Å; K45-D312 HydrophobicContact CB-CB 4.33Å; K45-D312 HydrophobicContact CD-CB 4.1Å; K45-D312 HydrophobicContact CG-CB 4.45Å; K45-D312 PolarHBondContact NZ-O 3.16Å; K45-E313 IonicContact NZ-OE1 2.68Å
46	I	86.6	Confident	86.3	Confident	41 Å²	41	38.8 Å²	38.8	21%	0.21	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-128.3	158.6	177.5	66.8	-178.3	0	0	0	109.7	R44 K51 C52	R44-I46 VanDerWaalsContact C-N 3.26Å; R44-I46 HydrophobicContact CB-CD1 4.41Å; R44-I46 HydrophobicContact CB-CG1 3.89Å; R44-I46 PolarHBondContact O-N 2.98Å; I46-K51 HydrophobicContact CD1-CB 4.42Å; I46-K51 HydrophobicContact CD1-CD 4.24Å; I46-C52 CarbonylContact C-O 3.44Å; I46-C52 VanDerWaalsContact CA-O 3.24Å; I46-C52 WeakPolarHBondContact CA-O 3.15Å; I46-C52 WeakPolarHBondContact CB-O 3.38Å
47	C	88.2	Confident	86.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-67.3	133.5	170.8	-177.8	0	0	0	0	110.5	F38 E39 S49 C50 K51 C52 H57	F38-C47 HydrophobicContact CD2-CB 3.82Å; F38-C47 HydrophobicContact CE2-CB 4.08Å; E39-C47 PolarHBondContact N-SG 3.32Å; E39-C47 CarbonylContact O-C 3.59Å; E39-C47 WeakPolarHBondContact O-CA 3.5Å; C47-S49 VanDerWaalsContact C-N 3.27Å; C47-S49 PolarHBondContact O-N 2.85Å; C47-S49 PolarHBondContact SG-N 3.36Å; C47-S49 VanDerWaalsContact SG-N 3.44Å; C47-C50 WeakPolarHBondContact CB-SG 3.36Å; C47-K51 WeakPolarHBondContact O-CA 3.49Å; C47-K51 PolarHBondContact O-N 3.07Å; C47-C52 PolarHBondContact N-O 3.11Å; C47-H57 VanDerWaalsContact CB-NE2 3.32Å; C47-H57 WeakPolarHBondContact CB-NE2 3.38Å
48	K	87.4	Confident	85.4	Confident	80 Å²	80	34.3 Å²	34.3	35%	0.348	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.8	174.8	-73.8	-179.2	171.4	-177.1	0	112.1	E39 P40 H41 K51	E39-K48 HydrophobicContact CB-CB 4.04Å; E39-K48 HydrophobicContact CG-CB 4.06Å; E39-K48 HydrophobicContact CG-CD 4.09Å; E39-K48 PolarHBondContact O-N 3.49Å; E39-K48 WeakPolarHBondContact OE1-CD 3.23Å; P40-K48 WeakPolarHBondContact O-CD 3.42Å; P40-K48 WeakPolarHBondContact O-CE 3.44Å; H41-K48 HydrophobicContact CB-CG 4.17Å; K48-K51 WeakPolarHBondContact O-CE 3.19Å; K48-K51 PolarHBondContact O-NZ 3.47Å
49	S	87.3	Confident	84.8	Confident	51 Å²	51	36.2 Å²	36.2	36%	0.357	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-54.2	-172.8	-31.9	0	0	0	0	112.6	E39 C47	E39-S49 WeakPolarHBondContact CB-OG 3.47Å; E39-S49 PolarHBondContact OE2-OG 2.78Å; C47-S49 VanDerWaalsContact C-N 3.27Å; C47-S49 PolarHBondContact O-N 2.85Å; C47-S49 PolarHBondContact SG-N 3.36Å; C47-S49 VanDerWaalsContact SG-N 3.44Å
50	C	88.6	Confident	84.3	Confident	26 Å²	26	35.1 Å²	35.1	18%	0.176	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9	-178.9	58	0	0	0	0	115.2	C31 C35 C47 C52 H57	C31-C50 HydrophobicContact CB-CB 3.99Å; C35-C50 HydrophobicContact CB-CB 3.74Å; C47-C50 WeakPolarHBondContact CB-SG 3.36Å; C50-C52 PolarHBondContact O-N 3.48Å; C50-C52 VanDerWaalsContact SG-CB 3.57Å; C50-H57 PolarHBondContact SG-NE2 3.11Å; C50-H57 VanDerWaalsContact SG-NE2 3.35Å
51	K	86.6	Confident	84.3	Confident	114 Å²	114	37 Å²	37	50%	0.496	20%	0.204	S	C	.	.			trans	61.2	4.1	-172.8	-46	-54.7	-174.1	-166.5	0	115.4	I46 C47 K48	I46-K51 HydrophobicContact CD1-CB 4.42Å; I46-K51 HydrophobicContact CD1-CD 4.24Å; C47-K51 WeakPolarHBondContact O-CA 3.49Å; C47-K51 PolarHBondContact O-N 3.07Å; K48-K51 WeakPolarHBondContact O-CE 3.19Å; K48-K51 PolarHBondContact O-NZ 3.47Å
52	C	87.1	Confident	84.4	Confident	25 Å²	25	39 Å²	39	17%	0.169	22%	0.215	C	C	.	.			trans	-63	156.8	169.5	-63.7	0	0	0	0	111.2	C28 I46 C47 C50 D56	C28-C52 VanDerWaalsContact SG-SG 3.66Å; I46-C52 CarbonylContact C-O 3.44Å; I46-C52 VanDerWaalsContact CA-O 3.24Å; I46-C52 WeakPolarHBondContact CA-O 3.15Å; I46-C52 WeakPolarHBondContact CB-O 3.38Å; C47-C52 PolarHBondContact N-O 3.11Å; C50-C52 PolarHBondContact O-N 3.48Å; C50-C52 VanDerWaalsContact SG-CB 3.57Å; C52-D56 HydrophobicContact CB-CB 3.86Å
53	S	85.2	Confident	84.6	Confident	30 Å²	30	39.3 Å²	39.3	21%	0.21	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-66.3	160.6	179	71.9	0	0	0	0	110.7	E55 D56 H57	S53-E55 PolarHBondContact O-N 3.27Å; S53-E55 WeakPolarHBondContact OG-CB 3.41Å; S53-E55 PolarHBondContact OG-N 2.82Å; S53-D56 WeakPolarHBondContact CB-OD2 3.45Å; S53-D56 PolarHBondContact N-OD2 2.96Å; S53-D56 PolarHBondContact O-N 2.8Å; S53-D56 VanDerWaalsContact OG-CG 3.25Å; S53-D56 PolarHBondContact OG-N 3.05Å; S53-D56 PolarHBondContact OG-OD2 2.86Å; S53-H57 PolarHBondContact O-CD2 3.35Å
54	Q	84.2	Confident	84.7	Confident	37 Å²	37	40 Å²	40	17%	0.173	22%	0.216	C	C	.	.	S	Bend	trans	-58.4	-26.2	168.6	-78.3	173.1	16.3	0	0	112.6	F38 K45 D56 H57 C58 L59	F38-Q54 HydrophobicContact CE2-CG 3.75Å; F38-Q54 HydrophobicContact CZ-CG 3.65Å; K45-Q54 PolarHBondContact O-N 2.88Å; K45-Q54 VanDerWaalsContact O-N 3.14Å; Q54-D56 VanDerWaalsContact C-N 3.29Å; Q54-D56 PolarHBondContact O-N 3.41Å; Q54-H57 PolarHBondContact O-N 2.84Å; Q54-H57 VanDerWaalsContact O-N 3.1Å; Q54-C58 PolarHBondContact O-N 3.47Å; Q54-L59 HydrophobicContact CB-CD1 4.08Å; Q54-L59 HydrophobicContact CG-CD1 3.94Å
55	E	83	Confident	84.8	Confident	24 Å²	24	39.4 Å²	39.4	11%	0.112	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-69.3	-33.8	-178.5	-39.9	172.4	169.1	0	0	110.7	S53 H57 C58 R155 M158 H159 R298	S53-E55 PolarHBondContact O-N 3.27Å; S53-E55 WeakPolarHBondContact OG-CB 3.41Å; S53-E55 PolarHBondContact OG-N 2.82Å; E55-H57 PolarHBondContact O-N 3.31Å; E55-C58 PolarHBondContact O-N 3.28Å; E55-R155 HydrophobicContact CB-CG 3.75Å; E55-M158 HydrophobicContact CB-CB 4.31Å; E55-M158 HydrophobicContact CB-CE 4Å; E55-M158 HydrophobicContact CG-CB 3.95Å; E55-M158 WeakPolarHBondContact O-CE 3.22Å; E55-H159 WeakPolarHBondContact OE1-CA 3.4Å; E55-H159 WeakPolarHBondContact OE1-CB 3.22Å; E55-H159 IonicContact OE1-CD2 2.73Å; E55-H159 PolarHBondContact OE1-CD2 2.98Å; E55-H159 IonicContact OE1-CG 2.83Å; E55-H159 PolarHBondContact OE1-N 2.97Å; E55-H159 VanDerWaalsContact OE2-CB 3.32Å; E55-H159 WeakPolarHBondContact OE2-CB 3.34Å; E55-H159 IonicContact OE2-CD2 3.76Å; E55-H159 PolarHBondContact OE2-CD2 3.35Å; E55-H159 IonicContact OE2-CG 3.78Å; E55-R298 IonicContact OE1-NH2 3.43Å
56	D	85.2	Confident	85.2	Confident	29 Å²	29	39.6 Å²	39.6	16%	0.155	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-70.3	-9.6	173.8	-59.7	-52.5	0	0	0	113.1	L29 C52 S53 Q54 R155	L29-D56 PolarHBondContact N-O 3.44Å; C52-D56 HydrophobicContact CB-CB 3.86Å; S53-D56 WeakPolarHBondContact CB-OD2 3.45Å; S53-D56 PolarHBondContact N-OD2 2.96Å; S53-D56 PolarHBondContact O-N 2.8Å; S53-D56 VanDerWaalsContact OG-CG 3.25Å; S53-D56 PolarHBondContact OG-N 3.05Å; S53-D56 PolarHBondContact OG-OD2 2.86Å; Q54-D56 VanDerWaalsContact C-N 3.29Å; Q54-D56 PolarHBondContact O-N 3.41Å; D56-R155 IonicContact OD1-NH1 2.79Å
57	H	84.4	Confident	85.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-106	4	175.9	-75.3	-89.1	0	0	0	113.2	V26 A27 C28 F38 C47 C50 S53 Q54 E55 L59	V26-H57 WeakPolarHBondContact CG1-O 3.45Å; V26-H57 PolarHBondContact O-ND1 3.49Å; A27-H57 PolarHBondContact O-ND1 3.16Å; C28-H57 WeakPolarHBondContact CB-CE1 3.47Å; F38-H57 VanDerWaalsContact CA-CE1 3.41Å; F38-H57 WeakPolarHBondContact CA-CE1 3.15Å; F38-H57 HydrophobicContact CB-CB 4.19Å; F38-H57 WeakPolarHBondContact CB-ND1 3.48Å; F38-H57 HydrophobicContact CD2-CB 4.13Å; F38-H57 AromaticContact CD2-CD2 3.59Å; F38-H57 AromaticContact CD2-CG 3.7Å; F38-H57 AromaticContact CD2-NE2 3.86Å; F38-H57 HydrophobicContact CG-CB 4.33Å; F38-H57 PolarHBondContact N-CE1 3.25Å; C47-H57 VanDerWaalsContact CB-NE2 3.32Å; C47-H57 WeakPolarHBondContact CB-NE2 3.38Å; C50-H57 PolarHBondContact SG-NE2 3.11Å; C50-H57 VanDerWaalsContact SG-NE2 3.35Å; S53-H57 PolarHBondContact O-CD2 3.35Å; Q54-H57 PolarHBondContact O-N 2.84Å; Q54-H57 VanDerWaalsContact O-N 3.1Å; E55-H57 PolarHBondContact O-N 3.31Å; H57-L59 VanDerWaalsContact C-N 3.28Å; H57-L59 HydrophobicContact CB-CD1 4.46Å; H57-L59 HydrophobicContact CB-CD2 3.77Å; H57-L59 HydrophobicContact CB-CG 3.88Å; H57-L59 WeakPolarHBondContact O-CD2 3.44Å; H57-L59 PolarHBondContact O-N 2.9Å; H57-L59 VanDerWaalsContact O-N 3.12Å
58	C	72.4	Confident	85.6	Confident	29 Å²	29	43.9 Å²	43.9	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	48.3	176.3	-69.8	0	0	0	0	114.4	L29 Q54 E55 T60	L29-C58 WeakPolarHBondContact CD1-SG 3.42Å; Q54-C58 PolarHBondContact O-N 3.47Å; E55-C58 PolarHBondContact O-N 3.28Å; C58-T60 PolarHBondContact O-N 3.44Å; C58-T60 VanDerWaalsContact O-N 3.17Å
59	L	74.6	Confident	85.9	Confident	40 Å²	40	40 Å²	40	21%	0.209	21%	0.212	C	C	.	.			trans	-74.5	-2.6	-170.9	-60.7	-176.9	0	0	0	114.8	A23 V26 F38 Q54 H57	A23-L59 HydrophobicContact CB-CD1 4.08Å; A23-L59 HydrophobicContact CB-CD2 3.6Å; A23-L59 HydrophobicContact CB-CG 4.28Å; V26-L59 HydrophobicContact CB-CD2 3.81Å; V26-L59 HydrophobicContact CG1-CD2 4.06Å; V26-L59 HydrophobicContact CG2-CD2 3.98Å; F38-L59 HydrophobicContact CB-CD2 4.31Å; F38-L59 HydrophobicContact CD1-CD1 3.64Å; F38-L59 HydrophobicContact CD1-CD2 4.09Å; F38-L59 HydrophobicContact CD2-CD1 4.23Å; F38-L59 HydrophobicContact CE1-CD1 3.43Å; F38-L59 VanDerWaalsContact CE1-CD1 3.43Å; F38-L59 HydrophobicContact CE2-CD1 4.07Å; F38-L59 HydrophobicContact CG-CD1 4.04Å; F38-L59 HydrophobicContact CG-CD2 4.19Å; F38-L59 HydrophobicContact CZ-CD1 3.68Å; Q54-L59 HydrophobicContact CB-CD1 4.08Å; Q54-L59 HydrophobicContact CG-CD1 3.94Å; H57-L59 VanDerWaalsContact C-N 3.28Å; H57-L59 HydrophobicContact CB-CD1 4.46Å; H57-L59 HydrophobicContact CB-CD2 3.77Å; H57-L59 HydrophobicContact CB-CG 3.88Å; H57-L59 WeakPolarHBondContact O-CD2 3.44Å; H57-L59 PolarHBondContact O-N 2.9Å; H57-L59 VanDerWaalsContact O-N 3.12Å
60	T	77.8	Confident	86.2	Confident	42 Å²	42	37.6 Å²	37.6	26%	0.258	20%	0.195	S	C	.	.			trans	-107	144.9	-176.5	60	0	0	0	0	112.4	C58 E64 D65 M158	C58-T60 PolarHBondContact O-N 3.44Å; C58-T60 VanDerWaalsContact O-N 3.17Å; T60-E64 WeakPolarHBondContact CA-OE2 3.43Å; T60-D65 WeakPolarHBondContact CB-OD1 3.3Å; T60-D65 PolarHBondContact OG1-OD1 2.81Å; T60-M158 HydrophobicContact CG2-CG 4.3Å; T60-M158 HydrophobicContact CG2-SD 3.93Å
61	S	84	Confident	86.4	Confident	55 Å²	55	41.2 Å²	41.2	39%	0.385	21%	0.205	S	C	.	.			trans	-91.8	158.1	170.5	62.8	0	0	0	0	112	L63 E64 D65	S61-L63 PolarHBondContact O-N 2.79Å; S61-L63 VanDerWaalsContact O-N 3.14Å; S61-E64 PolarHBondContact N-OE2 3.29Å; S61-E64 WeakPolarHBondContact O-CB 3.38Å; S61-E64 PolarHBondContact O-N 3.46Å; S61-E64 WeakPolarHBondContact OG-CG 3.36Å; S61-E64 PolarHBondContact OG-N 3Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; S61-D65 PolarHBondContact O-N 2.86Å
62	D	86.6	Confident	86.7	Confident	49 Å²	49	35.8 Å²	35.8	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-49.4	-40.4	174.2	-81.2	10.7	0	0	0	113	D65 D66 R96	D62-D65 PolarHBondContact O-N 3.31Å; D62-D66 PolarHBondContact O-N 2.75Å; D62-R96 PolarHBondContact O-NH1 3.39Å; D62-R96 PolarHBondContact O-NH2 2.98Å; D62-R96 IonicContact OD2-NH1 3.43Å
63	L	87.9	Confident	87.1	Confident	83 Å²	83	34.6 Å²	34.6	44%	0.435	17%	0.174	S	C	.	.	H	α-helix	trans	-69.4	-37.2	179.5	-178.9	62.9	0	0	0	112.3	S61 D66 R67	S61-L63 PolarHBondContact O-N 2.79Å; S61-L63 VanDerWaalsContact O-N 3.14Å; L63-D66 PolarHBondContact O-N 3.17Å; L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 2.76Å
64	E	88.4	Confident	87.2	Confident	55 Å²	55	35.9 Å²	35.9	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-68.7	-40.4	175.7	-72.3	170.5	143.3	0	0	111.2	Q19 T60 S61 D66 R67 K68	Q19-E64 PolarHBondContact NE2-OE1 3.4Å; T60-E64 WeakPolarHBondContact CA-OE2 3.43Å; S61-E64 PolarHBondContact N-OE2 3.29Å; S61-E64 WeakPolarHBondContact O-CB 3.38Å; S61-E64 PolarHBondContact O-N 3.46Å; S61-E64 WeakPolarHBondContact OG-CG 3.36Å; S61-E64 PolarHBondContact OG-N 3Å; S61-E64 PolarHBondContact OG-OE2 2.83Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 2.73Å; E64-R67 PolarHBondContact O-N 3.47Å; E64-K68 VanDerWaalsContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 3.39Å
65	D	90.1	Very high	87.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-42.3	173.4	-75.6	-10.9	0	0	0	111.1	T60 S61 D62 K68 I69 L157	T60-D65 WeakPolarHBondContact CB-OD1 3.3Å; T60-D65 PolarHBondContact OG1-OD1 2.81Å; S61-D65 PolarHBondContact O-N 2.86Å; D62-D65 PolarHBondContact O-N 3.31Å; D65-K68 WeakPolarHBondContact O-CB 3.45Å; D65-K68 PolarHBondContact O-N 3.32Å; D65-I69 WeakPolarHBondContact O-CG1 3.11Å; D65-I69 PolarHBondContact O-N 3.46Å; D65-L157 HydrophobicContact CB-CD2 3.56Å; D65-L157 VanDerWaalsContact CG-CD2 3.49Å
66	D	92.8	Very high	87.7	Confident	20 Å²	20	39.2 Å²	39.2	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-38.5	175.8	-75.5	-30.3	0	0	0	113.1	D62 L63 E64 K68 G70 I93 Y94 R96	D62-D66 PolarHBondContact O-N 2.75Å; L63-D66 PolarHBondContact O-N 3.17Å; E64-D66 VanDerWaalsContact C-N 3.32Å; E64-D66 PolarHBondContact O-N 2.73Å; D66-K68 VanDerWaalsContact C-N 3.33Å; D66-G70 WeakPolarHBondContact O-CA 3.44Å; D66-G70 PolarHBondContact O-N 2.71Å; D66-I93 HydrophobicContact CB-CB 4.38Å; D66-Y94 WeakPolarHBondContact O-CB 3.32Å; D66-Y94 PolarHBondContact O-N 3.31Å; D66-R96 WeakPolarHBondContact OD1-CB 3.2Å; D66-R96 IonicContact OD1-CZ 3.28Å; D66-R96 IonicContact OD1-NE 2.75Å; D66-R96 PolarHBondContact OD1-NE 3.35Å; D66-R96 VanDerWaalsContact OD1-NE 3.12Å; D66-R96 IonicContact OD1-NH1 3.72Å; D66-R96 IonicContact OD1-NH2 3.48Å; D66-R96 PolarHBondContact OD1-NH2 3.07Å; D66-R96 IonicContact OD2-CZ 3.6Å; D66-R96 IonicContact OD2-NE 3.21Å; D66-R96 IonicContact OD2-NH1 3.76Å; D66-R96 PolarHBondContact OD2-NH1 2.9Å; D66-R96 IonicContact OD2-NH2 3.38Å; D66-R96 PolarHBondContact OD2-NH2 3.46Å
67	R	91.6	Very high	88	Confident	119 Å²	119	44.2 Å²	44.2	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-39.4	174.2	-75.4	171.9	180	172.9	-0.2	111.4	L63 E64 G70 R71 I93	L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 2.76Å; E64-R67 PolarHBondContact O-N 3.47Å; R67-G70 PolarHBondContact O-N 2.97Å; R67-R71 WeakPolarHBondContact O-CB 3.16Å; R67-R71 PolarHBondContact O-N 3.28Å; R67-I93 HydrophobicContact CG-CG2 3.81Å
68	K	91.4	Very high	88.4	Confident	12 Å²	12	45.4 Å²	45.4	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-52.9	177.7	170.5	-177.9	133.3	167	0	111.1	E64 D65 D66 G70 R71 L72 L157 L161 I163	E64-K68 VanDerWaalsContact O-CB 3.28Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 3.39Å; D65-K68 WeakPolarHBondContact O-CB 3.45Å; D65-K68 PolarHBondContact O-N 3.32Å; D66-K68 VanDerWaalsContact C-N 3.33Å; K68-G70 VanDerWaalsContact C-N 3.31Å; K68-G70 PolarHBondContact O-N 3.21Å; K68-R71 PolarHBondContact O-N 3.32Å; K68-L72 PolarHBondContact O-N 2.84Å; K68-L72 VanDerWaalsContact O-N 3.1Å; K68-L157 VanDerWaalsContact NZ-C 3.34Å; K68-L157 PolarHBondContact NZ-O 3.15Å; K68-L161 WeakPolarHBondContact CE-O 3.46Å; K68-L161 PolarHBondContact NZ-O 3.14Å; K68-I163 HydrophobicContact CB-CD1 4.48Å; K68-I163 HydrophobicContact CD-CB 4.23Å; K68-I163 HydrophobicContact CG-CB 4.44Å; K68-I163 HydrophobicContact CG-CG1 4.36Å
69	I	94.4	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-40.5	175.7	-61.9	169.7	0	0	0	110.2	D65 R71 L72 L73 Y94 L157 I286	D65-I69 WeakPolarHBondContact O-CG1 3.11Å; D65-I69 PolarHBondContact O-N 3.46Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 2.9Å; I69-L72 WeakPolarHBondContact O-CB 3.16Å; I69-L72 PolarHBondContact O-N 3.37Å; I69-L73 HydrophobicContact CG2-CD1 3.84Å; I69-L73 HydrophobicContact CG2-CG 4.13Å; I69-L73 WeakPolarHBondContact O-CG 3.32Å; I69-L73 PolarHBondContact O-N 3.14Å; I69-Y94 HydrophobicContact CB-CD1 4.18Å; I69-Y94 HydrophobicContact CB-CG 3.95Å; I69-Y94 HydrophobicContact CD1-CD1 3.68Å; I69-Y94 HydrophobicContact CD1-CE1 4Å; I69-Y94 HydrophobicContact CD1-CG 4.33Å; I69-Y94 HydrophobicContact CG2-CD1 3.9Å; I69-Y94 HydrophobicContact CG2-CD2 3.63Å; I69-Y94 HydrophobicContact CG2-CE1 4.39Å; I69-Y94 HydrophobicContact CG2-CE2 4.18Å; I69-Y94 HydrophobicContact CG2-CG 3.49Å; I69-Y94 VanDerWaalsContact CG2-CG 3.49Å; I69-L157 HydrophobicContact CD1-CD1 3.74Å; I69-L157 HydrophobicContact CD1-CD2 4.04Å; I69-L157 HydrophobicContact CG1-CD1 3.97Å; I69-I286 HydrophobicContact CD1-CD1 4.32Å; I69-I286 HydrophobicContact CG1-CD1 4.19Å; I69-I286 HydrophobicContact CG2-CD1 3.72Å
70	G	94.3	Very high	90.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-53.7	-46.4	175.9	0	0	0	0	0	112.3	D66 R67 K68 L73 M74	D66-G70 WeakPolarHBondContact O-CA 3.44Å; D66-G70 PolarHBondContact O-N 2.71Å; R67-G70 PolarHBondContact O-N 2.97Å; K68-G70 VanDerWaalsContact C-N 3.31Å; K68-G70 PolarHBondContact O-N 3.21Å; G70-L73 PolarHBondContact O-N 3.45Å; G70-M74 VanDerWaalsContact O-CB 3.23Å; G70-M74 WeakPolarHBondContact O-CB 3.08Å; G70-M74 PolarHBondContact O-N 3.46Å
71	R	91.9	Very high	90.9	Very high	102 Å²	102	48.4 Å²	48.4	39%	0.385	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-39.4	175	-176.2	-176.9	-63.9	-126.1	12.2	112.7	R67 K68 I69 L73 D167 K190	R67-R71 WeakPolarHBondContact O-CB 3.16Å; R67-R71 PolarHBondContact O-N 3.28Å; K68-R71 PolarHBondContact O-N 3.32Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 2.9Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 3.26Å; R71-D167 IonicContact CZ-OD2 3.15Å; R71-D167 IonicContact NE-OD2 3.56Å; R71-D167 IonicContact NH1-OD1 2.95Å; R71-D167 PolarHBondContact NH1-OD1 3.24Å; R71-D167 IonicContact NH1-OD2 3.21Å; R71-D167 PolarHBondContact NH1-OD2 3.16Å; R71-D167 IonicContact NH2-OD2 2.66Å; R71-D167 PolarHBondContact NH2-OD2 3.27Å; R71-D167 VanDerWaalsContact NH2-OD2 3.14Å; R71-K190 PolarHBondContact O-NZ 3.35Å
72	L	94.1	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.8	-44.2	177.1	-173.7	53.8	0	0	0	111.1	K68 I69 L161 Q166 Y189 K190 L194 I286 F288	K68-L72 PolarHBondContact O-N 2.84Å; K68-L72 VanDerWaalsContact O-N 3.1Å; I69-L72 WeakPolarHBondContact O-CB 3.16Å; I69-L72 PolarHBondContact O-N 3.37Å; L72-L161 HydrophobicContact CD2-CD1 3.99Å; L72-L161 HydrophobicContact CD2-CD2 4.01Å; L72-Q166 VanDerWaalsContact CB-OE1 3.31Å; L72-Q166 HydrophobicContact CD1-CG 4.41Å; L72-Y189 HydrophobicContact CD1-CE2 3.81Å; L72-K190 HydrophobicContact CD1-CG 4.48Å; L72-K190 WeakPolarHBondContact O-CD 3.35Å; L72-K190 WeakPolarHBondContact O-CE 3.44Å; L72-L194 HydrophobicContact CD1-CD1 4.24Å; L72-L194 HydrophobicContact CD1-CD2 3.99Å; L72-L194 HydrophobicContact CD2-CD1 4.06Å; L72-L194 HydrophobicContact CG-CD1 4.08Å; L72-L194 HydrophobicContact CG-CD2 3.94Å; L72-I286 HydrophobicContact CD2-CG2 3.83Å; L72-F288 HydrophobicContact CD1-CZ 4.34Å
73	L	94.4	Very high	91.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-91.3	-21.1	-171.4	-56	-176.7	0	0	0	114.6	I69 G70 R71 D75 S76 S79 L81 T82 Y94 L194 V196	I69-L73 HydrophobicContact CG2-CD1 3.84Å; I69-L73 HydrophobicContact CG2-CG 4.13Å; I69-L73 WeakPolarHBondContact O-CG 3.32Å; I69-L73 PolarHBondContact O-N 3.14Å; G70-L73 PolarHBondContact O-N 3.45Å; R71-L73 VanDerWaalsContact C-N 3.29Å; R71-L73 PolarHBondContact O-N 3.26Å; L73-D75 PolarHBondContact O-N 3.15Å; L73-S76 WeakPolarHBondContact CA-OG 3.5Å; L73-S76 PolarHBondContact O-N 2.73Å; L73-S76 PolarHBondContact O-OG 3.38Å; L73-S79 PolarHBondContact O-N 3.31Å; L73-L81 HydrophobicContact CD1-CB 3.97Å; L73-L81 HydrophobicContact CD1-CD1 4.23Å; L73-T82 HydrophobicContact CB-CG2 3.66Å; L73-T82 HydrophobicContact CD1-CG2 4.2Å; L73-T82 HydrophobicContact CG-CG2 4.47Å; L73-Y94 HydrophobicContact CD1-CD2 4.12Å; L73-Y94 HydrophobicContact CD1-CE2 4.3Å; L73-L194 HydrophobicContact CD2-CD2 4.15Å; L73-V196 HydrophobicContact CD2-CG2 4.08Å
74	M	88.3	Confident	91.7	Very high	57 Å²	57	50.4 Å²	50.4	28%	0.281	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-31.9	-171.3	169	157.5	72.3	0	0	115.3	G70 R92	G70-M74 VanDerWaalsContact O-CB 3.23Å; G70-M74 WeakPolarHBondContact O-CB 3.08Å; G70-M74 PolarHBondContact O-N 3.46Å; M74-R92 HydrophobicContact CB-CB 4.4Å; M74-R92 HydrophobicContact CG-CB 4.47Å; M74-R92 HydrophobicContact CG-CG 4.1Å; M74-R92 HydrophobicContact SD-CB 3.84Å; M74-R92 WeakPolarHBondContact SD-CD 3.37Å; M74-R92 HydrophobicContact SD-CG 3.44Å; M74-R92 WeakPolarHBondContact SD-CG 3.41Å
75	D	86.3	Confident	91.6	Very high	117 Å²	117	50.4 Å²	50.4	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	18.8	-177.4	-49.8	-55.1	0	0	0	112.5	L73 K190	L73-D75 PolarHBondContact O-N 3.15Å; D75-K190 IonicContact OD2-NZ 3.59Å
76	S	91.3	Very high	91	Very high	13 Å²	13	60.4 Å²	60.4	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-108.6	171.6	175	76.3	0	0	0	0	110.1	L73 Y78 S79	L73-S76 WeakPolarHBondContact CA-OG 3.5Å; L73-S76 PolarHBondContact O-N 2.73Å; L73-S76 PolarHBondContact O-OG 3.38Å; S76-Y78 PolarHBondContact O-N 3.35Å; S76-Y78 WeakPolarHBondContact OG-CB 3.43Å; S76-Y78 PolarHBondContact OG-N 3.4Å; S76-Y78 VanDerWaalsContact OG-N 3.11Å; S76-S79 PolarHBondContact O-N 2.8Å; S76-S79 VanDerWaalsContact O-N 3.16Å
77	K	89.9	Confident	90.1	Very high	134 Å²	134	63.7 Å²	63.7	58%	0.583	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.7	170.5	68.4	-179.9	-177.2	-177.9	0	114.1	S79 D260	K77-S79 VanDerWaalsContact C-N 3.32Å; K77-D260 WeakPolarHBondContact CE-OD2 3.36Å; K77-D260 IonicContact NZ-OD2 3.79Å; K77-D260 PolarHBondContact NZ-OD2 3.03Å
78	Y	93.2	Very high	88.9	Confident	26 Å²	26	59.2 Å²	59.2	10%	0.102	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	12.7	178.5	-53.3	-71.1	0	0	0	113.8	S76 T80 L81 G195 V196 D260	S76-Y78 PolarHBondContact O-N 3.35Å; S76-Y78 WeakPolarHBondContact OG-CB 3.43Å; S76-Y78 PolarHBondContact OG-N 3.4Å; S76-Y78 VanDerWaalsContact OG-N 3.11Å; Y78-T80 PolarHBondContact O-N 3.4Å; Y78-L81 WeakPolarHBondContact O-CB 3.38Å; Y78-L81 PolarHBondContact O-N 2.95Å; Y78-G195 WeakPolarHBondContact OH-CA 3.49Å; Y78-V196 HydrophobicContact CD1-CB 4.04Å; Y78-V196 HydrophobicContact CD1-CG2 3.93Å; Y78-V196 HydrophobicContact CD2-CG2 4.09Å; Y78-V196 HydrophobicContact CE1-CB 4.07Å; Y78-V196 HydrophobicContact CE1-CG2 4.3Å; Y78-V196 HydrophobicContact CE2-CG2 4.47Å; Y78-V196 HydrophobicContact CG-CB 4.42Å; Y78-V196 HydrophobicContact CG-CG2 3.81Å; Y78-D260 PolarHBondContact OH-OD1 2.79Å; Y78-D260 PolarHBondContact OH-OD2 3.39Å
79	S	91.9	Very high	87.8	Confident	38 Å²	38	66.5 Å²	66.5	27%	0.266	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.2	179.3	65	0	0	0	0	113.6	L73 S76 K77 L81 T82 R92	L73-S79 PolarHBondContact O-N 3.31Å; S76-S79 PolarHBondContact O-N 2.8Å; S76-S79 VanDerWaalsContact O-N 3.16Å; K77-S79 VanDerWaalsContact C-N 3.32Å; S79-L81 VanDerWaalsContact C-N 3.26Å; S79-L81 PolarHBondContact O-N 3.36Å; S79-T82 PolarHBondContact O-N 2.85Å; S79-T82 VanDerWaalsContact O-N 3.07Å; S79-T82 PolarHBondContact O-OG1 2.83Å; S79-R92 PolarHBondContact O-NH2 2.93Å; S79-R92 VanDerWaalsContact O-NH2 3.12Å
80	T	92.8	Very high	86.7	Confident	99 Å²	99	69 Å²	69	61%	0.607	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-62.3	-29.6	174.1	56.5	0	0	0	0	113.4	Y78 T82 K95	Y78-T80 PolarHBondContact O-N 3.4Å; T80-T82 PolarHBondContact O-N 2.72Å; T80-T82 VanDerWaalsContact O-N 3.16Å; T80-K95 PolarHBondContact O-NZ 3.43Å
81	L	94.1	Very high	86.1	Confident	37 Å²	37	72.7 Å²	72.7	19%	0.194	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-73.3	3.4	174.3	-59.9	-179.3	0	0	0	113.1	L73 Y78 S79 Y94 K95 P123 V196	L73-L81 HydrophobicContact CD1-CB 3.97Å; L73-L81 HydrophobicContact CD1-CD1 4.23Å; Y78-L81 WeakPolarHBondContact O-CB 3.38Å; Y78-L81 PolarHBondContact O-N 2.95Å; S79-L81 VanDerWaalsContact C-N 3.26Å; S79-L81 PolarHBondContact O-N 3.36Å; L81-Y94 HydrophobicContact CB-CD2 4.45Å; L81-Y94 HydrophobicContact CB-CE2 4.22Å; L81-Y94 VanDerWaalsContact O-CD2 3.3Å; L81-Y94 WeakPolarHBondContact O-CD2 3.41Å; L81-K95 WeakPolarHBondContact O-CB 3.24Å; L81-K95 PolarHBondContact O-N 3.41Å; L81-P123 HydrophobicContact CD2-CB 3.85Å; L81-P123 HydrophobicContact CD2-CG 4.36Å; L81-V196 HydrophobicContact CD1-CB 4.27Å; L81-V196 HydrophobicContact CD1-CG1 3.96Å; L81-V196 HydrophobicContact CD1-CG2 4.06Å
82	T	94.4	Very high	86	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.4	179.5	70.1	0	0	0	0	111.1	L73 S79 T80 R92 I93 K95	L73-T82 HydrophobicContact CB-CG2 3.66Å; L73-T82 HydrophobicContact CD1-CG2 4.2Å; L73-T82 HydrophobicContact CG-CG2 4.47Å; S79-T82 PolarHBondContact O-N 2.85Å; S79-T82 VanDerWaalsContact O-N 3.07Å; S79-T82 PolarHBondContact O-OG1 2.83Å; T80-T82 PolarHBondContact O-N 2.72Å; T80-T82 VanDerWaalsContact O-N 3.16Å; T82-R92 PolarHBondContact O-NH2 3.29Å; T82-R92 PolarHBondContact OG1-NE 3.34Å; T82-R92 PolarHBondContact OG1-NH2 3.34Å; T82-I93 CarbonylContact C-O 3.57Å; T82-I93 WeakPolarHBondContact CA-O 3.41Å; T82-I93 WeakPolarHBondContact CB-O 3.36Å; T82-K95 VanDerWaalsContact O-CE 3.26Å; T82-K95 WeakPolarHBondContact O-CE 3.42Å
83	A	92.6	Very high	85.9	Confident	31 Å²	31	72.2 Å²	72.2	26%	0.256	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	176	0	0	0	0	0	110.5	R92 I93 K95	A83-R92 CarbonylContact O-C 3.48Å; A83-R92 VanDerWaalsContact O-CA 3.24Å; A83-R92 WeakPolarHBondContact O-CA 3.38Å; A83-I93 HydrophobicContact CB-CG1 4.3Å; A83-I93 PolarHBondContact N-O 3.02Å; A83-I93 PolarHBondContact O-N 3.08Å; A83-K95 HydrophobicContact CB-CD 4.42Å; A83-K95 HydrophobicContact CB-CG 3.89Å
84	R	88.5	Confident	85.9	Confident	198 Å²	198	72.5 Å²	72.5	75%	0.747	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.6	169.7	-71.7	-177.1	176.6	170	0.3	109.5	R92	R84-R92 HydrophobicContact CG-CG 4.16Å
85	V	84.9	Confident	86.1	Confident	55 Å²	55	75.5 Å²	75.5	33%	0.333	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-82	129.7	173.3	-177.4	0	0	0	0	108.9	G87 G88 I91 I93	V85-G87 PolarHBondContact O-N 3.07Å; V85-G88 PolarHBondContact O-N 3.37Å; V85-I91 HydrophobicContact CG2-CG2 4.4Å; V85-I91 PolarHBondContact N-O 2.92Å; V85-I93 HydrophobicContact CG2-CB 4.3Å; V85-I93 HydrophobicContact CG2-CD1 4.12Å; V85-I93 HydrophobicContact CG2-CG1 3.92Å; V85-I93 HydrophobicContact CG2-CG2 3.57Å
86	K	77.9	Confident	86.3	Confident	210 Å²	210	71.4 Å²	71.4	91%	0.913	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	127.1	175.5	-69.5	-175.7	178.5	179.8	0	109.7	G88	K86-G88 VanDerWaalsContact C-N 3.26Å; K86-G88 PolarHBondContact O-N 3.02Å
87	G	74.6	Confident	86.3	Confident	90 Å²	90	73.6 Å²	73.6	93%	0.928	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	8.4	177	0	0	0	0	0	115.8	V85	V85-G87 PolarHBondContact O-N 3.07Å
88	G	66.3	Low	86.4	Confident	24 Å²	24	73.1 Å²	73.1	25%	0.247	39%	0.394	C	S	.	.	S	Bend	trans	-100.7	132.8	170.3	0	0	0	0	0	110.1	V85 K86 G90	V85-G88 PolarHBondContact O-N 3.37Å; K86-G88 VanDerWaalsContact C-N 3.26Å; K86-G88 PolarHBondContact O-N 3.02Å; G88-G90 PolarHBondContact O-N 3.16Å
89	D	68.2	Low	86.5	Confident	165 Å²	165	72.5 Å²	72.5	88%	0.882	39%	0.392	S	S	*	.	S	Bend	trans	-54.5	73	-177.5	-60.7	-42.6	0	0	0	113.9	I91	D89-I91 PolarHBondContact O-N 2.64Å
90	G	71.2	Confident	86.5	Confident	53 Å²	53	75.1 Å²	75.1	55%	0.546	40%	0.402	S	S	.	.	S	Bend	trans	70.1	4.9	-176.6	0	0	0	0	0	115.4	G88 R92	G88-G90 PolarHBondContact O-N 3.16Å; G90-R92 PolarHBondContact O-N 2.84Å
91	I	81.9	Confident	86.3	Confident	77 Å²	77	71.9 Å²	71.9	40%	0.395	38%	0.38	S	S	.	.			trans	-64.9	129.3	-177.4	-59.9	175.2	0	0	0	110.5	V85 D89	V85-I91 HydrophobicContact CG2-CG2 4.4Å; V85-I91 PolarHBondContact N-O 2.92Å; D89-I91 PolarHBondContact O-N 2.64Å
92	R	88.7	Confident	85.9	Confident	47 Å²	47	73.6 Å²	73.6	18%	0.177	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142	173.1	-61.2	-176.9	78.5	110.5	1.2	111.5	M74 S79 T82 A83 R84 G90	M74-R92 HydrophobicContact CB-CB 4.4Å; M74-R92 HydrophobicContact CG-CB 4.47Å; M74-R92 HydrophobicContact CG-CG 4.1Å; M74-R92 HydrophobicContact SD-CB 3.84Å; M74-R92 WeakPolarHBondContact SD-CD 3.37Å; M74-R92 HydrophobicContact SD-CG 3.44Å; M74-R92 WeakPolarHBondContact SD-CG 3.41Å; S79-R92 PolarHBondContact O-NH2 2.93Å; S79-R92 VanDerWaalsContact O-NH2 3.12Å; T82-R92 PolarHBondContact O-NH2 3.29Å; T82-R92 PolarHBondContact OG1-NE 3.34Å; T82-R92 PolarHBondContact OG1-NH2 3.34Å; A83-R92 CarbonylContact O-C 3.48Å; A83-R92 VanDerWaalsContact O-CA 3.24Å; A83-R92 WeakPolarHBondContact O-CA 3.38Å; R84-R92 HydrophobicContact CG-CG 4.16Å; G90-R92 PolarHBondContact O-N 2.84Å
93	I	92.9	Very high	85.2	Confident	45 Å²	45	76.7 Å²	76.7	23%	0.231	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.6	175.3	55.3	171.5	0	0	0	109.7	D66 R67 T82 A83 V85 K95	D66-I93 HydrophobicContact CB-CB 4.38Å; R67-I93 HydrophobicContact CG-CG2 3.81Å; T82-I93 CarbonylContact C-O 3.57Å; T82-I93 WeakPolarHBondContact CA-O 3.41Å; T82-I93 WeakPolarHBondContact CB-O 3.36Å; A83-I93 HydrophobicContact CB-CG1 4.3Å; A83-I93 PolarHBondContact N-O 3.02Å; A83-I93 PolarHBondContact O-N 3.08Å; V85-I93 HydrophobicContact CG2-CB 4.3Å; V85-I93 HydrophobicContact CG2-CD1 4.12Å; V85-I93 HydrophobicContact CG2-CG1 3.92Å; V85-I93 HydrophobicContact CG2-CG2 3.57Å; I93-K95 PolarHBondContact O-N 2.97Å
94	Y	94.8	Very high	84.5	Confident	6 Å²	6	80.1 Å²	80.1	2%	0.024	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	132.8	171.3	-180	-133.4	0	0	0	110.4	D66 I69 L73 L81 R96 W120	D66-Y94 WeakPolarHBondContact O-CB 3.32Å; D66-Y94 PolarHBondContact O-N 3.31Å; I69-Y94 HydrophobicContact CB-CD1 4.18Å; I69-Y94 HydrophobicContact CB-CG 3.95Å; I69-Y94 HydrophobicContact CD1-CD1 3.68Å; I69-Y94 HydrophobicContact CD1-CE1 4Å; I69-Y94 HydrophobicContact CD1-CG 4.33Å; I69-Y94 HydrophobicContact CG2-CD1 3.9Å; I69-Y94 HydrophobicContact CG2-CD2 3.63Å; I69-Y94 HydrophobicContact CG2-CE1 4.39Å; I69-Y94 HydrophobicContact CG2-CE2 4.18Å; I69-Y94 HydrophobicContact CG2-CG 3.49Å; I69-Y94 VanDerWaalsContact CG2-CG 3.49Å; L73-Y94 HydrophobicContact CD1-CD2 4.12Å; L73-Y94 HydrophobicContact CD1-CE2 4.3Å; L81-Y94 HydrophobicContact CB-CD2 4.45Å; L81-Y94 HydrophobicContact CB-CE2 4.22Å; L81-Y94 VanDerWaalsContact O-CD2 3.3Å; L81-Y94 WeakPolarHBondContact O-CD2 3.41Å; Y94-R96 HydrophobicContact CD1-CB 3.83Å; Y94-R96 HydrophobicContact CD1-CG 4.39Å; Y94-R96 HydrophobicContact CE1-CB 4Å; Y94-R96 HydrophobicContact CE1-CG 4.18Å; Y94-R96 PolarHBondContact O-N 2.92Å; Y94-W120 PolarHBondContact OH-NE1 2.74Å
95	K	92.2	Very high	83.8	Confident	121 Å²	121	74.1 Å²	74.1	53%	0.526	41%	0.411	S	S	.	.			trans	-79.6	68.5	171.6	-66.3	174.3	180	166.6	0	108.3	T80 L81 T82 A83 I93 N97	T80-K95 PolarHBondContact O-NZ 3.43Å; L81-K95 WeakPolarHBondContact O-CB 3.24Å; L81-K95 PolarHBondContact O-N 3.41Å; T82-K95 VanDerWaalsContact O-CE 3.26Å; T82-K95 WeakPolarHBondContact O-CE 3.42Å; A83-K95 HydrophobicContact CB-CD 4.42Å; A83-K95 HydrophobicContact CB-CG 3.89Å; I93-K95 PolarHBondContact O-N 2.97Å; K95-N97 PolarHBondContact O-N 3.43Å
96	R	90.3	Very high	82.7	Confident	31 Å²	31	76.5 Å²	76.5	12%	0.117	44%	0.437	C	S	.	.			trans	-56	123.5	179.5	-172	-177	-59.1	131.8	-3.8	109.7	D62 D66 Y94 R98 E119	D62-R96 PolarHBondContact O-NH1 3.39Å; D62-R96 PolarHBondContact O-NH2 2.98Å; D62-R96 IonicContact OD2-NH1 3.43Å; D66-R96 WeakPolarHBondContact OD1-CB 3.2Å; D66-R96 IonicContact OD1-CZ 3.28Å; D66-R96 IonicContact OD1-NE 2.75Å; D66-R96 PolarHBondContact OD1-NE 3.35Å; D66-R96 VanDerWaalsContact OD1-NE 3.12Å; D66-R96 IonicContact OD1-NH1 3.72Å; D66-R96 IonicContact OD1-NH2 3.48Å; D66-R96 PolarHBondContact OD1-NH2 3.07Å; D66-R96 IonicContact OD2-CZ 3.6Å; D66-R96 IonicContact OD2-NE 3.21Å; D66-R96 IonicContact OD2-NH1 3.76Å; D66-R96 PolarHBondContact OD2-NH1 2.9Å; D66-R96 IonicContact OD2-NH2 3.38Å; D66-R96 PolarHBondContact OD2-NH2 3.46Å; Y94-R96 HydrophobicContact CD1-CB 3.83Å; Y94-R96 HydrophobicContact CD1-CG 4.39Å; Y94-R96 HydrophobicContact CE1-CB 4Å; Y94-R96 HydrophobicContact CE1-CG 4.18Å; Y94-R96 PolarHBondContact O-N 2.92Å; R96-R98 PolarHBondContact O-N 3.23Å; R96-E119 WeakPolarHBondContact CD-O 3.2Å
97	N	91.9	Very high	81.9	Confident	58 Å²	58	71.3 Å²	71.3	31%	0.31	42%	0.423	S	S	.	.			trans	-82.7	103	175.7	-172.9	20.1	0	0	0	109	K95 W120 A121 P122	K95-N97 PolarHBondContact O-N 3.43Å; N97-W120 CarbonylContact O-C 3.44Å; N97-W120 WeakPolarHBondContact O-CA 3.18Å; N97-A121 PolarHBondContact O-N 2.77Å; N97-P122 PolarHBondContact ND2-O 3.45Å
98	R	92.3	Very high	81.4	Confident	124 Å²	124	70.4 Å²	70.4	47%	0.468	41%	0.413	S	S	.	.			trans	-91.5	126.2	172.6	-64.3	-177.1	74.4	172.8	5.4	108.5	R96	R96-R98 PolarHBondContact O-N 3.23Å
99	M	93.9	Very high	81.3	Confident	14 Å²	14	79.3 Å²	79.3	7%	0.069	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.3	-179.9	-177.5	173.2	70.2	0	0	109.6	Y118 A121 Q127 L131 M134	M99-Y118 HydrophobicContact CE-CD2 3.59Å; M99-Y118 HydrophobicContact CE-CE2 3.9Å; M99-Y118 HydrophobicContact CE-CG 4.05Å; M99-Y118 PolarHBondContact N-O 2.75Å; M99-Y118 VanDerWaalsContact N-O 3.14Å; M99-Y118 PolarHBondContact O-N 3.44Å; M99-A121 HydrophobicContact CB-CB 3.87Å; M99-A121 HydrophobicContact SD-CB 4.48Å; M99-Q127 HydrophobicContact CG-CG 4.38Å; M99-Q127 HydrophobicContact SD-CG 4.14Å; M99-L131 HydrophobicContact CE-CD2 3.68Å; M99-L131 HydrophobicContact CE-CG 4.14Å; M99-L131 HydrophobicContact SD-CD2 4.34Å; M99-L131 HydrophobicContact SD-CG 4.29Å; M99-M134 HydrophobicContact CE-CG 3.98Å
100	I	92.4	Very high	81.2	Confident	93 Å²	93	77.5 Å²	77.5	48%	0.477	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	179	-57.5	174.2	0	0	0	108	T115 T117 Q127	I100-T115 HydrophobicContact CG2-CG2 3.52Å; I100-T117 HydrophobicContact CG1-CG2 4.23Å; I100-Q127 PolarHBondContact O-NE2 3.48Å; I100-Q127 VanDerWaalsContact O-NE2 3.13Å
101	M	88.4	Confident	80.9	Confident	30 Å²	30	79.7 Å²	79.7	15%	0.148	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	179.5	-76.1	-65.7	-67.3	0	0	109.1	T115 I116 Y118 Q127 L131	M101-T115 CarbonylContact O-C 3.59Å; M101-T115 VanDerWaalsContact O-CA 3.23Å; M101-T115 WeakPolarHBondContact O-CA 3.5Å; M101-I116 HydrophobicContact CB-CB 4.19Å; M101-I116 PolarHBondContact N-O 3.44Å; M101-I116 PolarHBondContact O-N 3.4Å; M101-Y118 HydrophobicContact CG-CE2 4.23Å; M101-Q127 HydrophobicContact SD-CG 4.04Å; M101-Q127 PolarHBondContact SD-NE2 2.68Å; M101-L131 HydrophobicContact CE-CD1 3.39Å; M101-L131 HydrophobicContact CE-CD2 3.69Å; M101-L131 HydrophobicContact CE-CG 4.14Å; M101-L131 HydrophobicContact CG-CD2 3.66Å; M101-L131 HydrophobicContact SD-CD1 3.51Å; M101-L131 VanDerWaalsContact SD-CD1 3.51Å; M101-L131 HydrophobicContact SD-CD2 3.5Å; M101-L131 VanDerWaalsContact SD-CD2 3.5Å; M101-L131 HydrophobicContact SD-CG 3.9Å
102	T	85.9	Confident	80.5	Confident	73 Å²	73	79.2 Å²	79.2	45%	0.448	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	106.9	178.6	-55	0	0	0	0	108.4	F113 D114	T102-F113 HydrophobicContact CG2-CB 3.53Å; T102-F113 HydrophobicContact CG2-CD1 3.63Å; T102-F113 HydrophobicContact CG2-CG 3.79Å; T102-D114 CarbonylContact C-O 3.56Å; T102-D114 WeakPolarHBondContact CA-O 3.09Å
103	N	80	Confident	80	Confident	66 Å²	66	82.7 Å²	82.7	35%	0.353	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.1	178.5	-64.8	-35.9	0	0	0	108.8	I105 F113 D114	N103-I105 PolarHBondContact O-N 3.03Å; N103-F113 WeakPolarHBondContact O-CA 3.36Å; N103-D114 HydrophobicContact CB-CB 4.47Å; N103-D114 PolarHBondContact N-O 3.28Å; N103-D114 PolarHBondContact O-N 2.87Å
104	P	76.8	Confident	79.4	Confident	102 Å²	102	84.4 Å²	84.4	66%	0.662	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	126.2	174.4	26.2	-31.1	0	0	0	109.6	A106 F113	P104-A106 PolarHBondContact O-N 3.12Å; P104-F113 HydrophobicContact CB-CD1 4.19Å; P104-F113 HydrophobicContact CB-CE1 4.16Å
105	I	73.4	Confident	79.2	Confident	72 Å²	72	87.6 Å²	87.6	37%	0.369	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.7	172.6	-51.4	175.4	0	0	0	106.5	N103 T107 T112 D114	N103-I105 PolarHBondContact O-N 3.03Å; I105-T107 HydrophobicContact CG2-CG2 4.39Å; I105-T107 WeakPolarHBondContact CG2-OG1 3.2Å; I105-T107 PolarHBondContact O-N 3.38Å; I105-T112 WeakPolarHBondContact CB-O 3.42Å; I105-T112 PolarHBondContact N-O 2.53Å; I105-D114 HydrophobicContact CD1-CB 4.01Å; I105-D114 HydrophobicContact CG1-CB 4.07Å
106	A	61.9	Low	79.2	Confident	106 Å²	106	84.2 Å²	84.2	88%	0.876	48%	0.475	S	S	*	.			trans	-77.6	53.3	-178.2	0	0	0	0	0	112.4	P104	P104-A106 PolarHBondContact O-N 3.12Å
107	T	61.5	Low	79.4	Confident	101 Å²	101	84.2 Å²	84.2	62%	0.62	48%	0.478	S	S	*	.			trans	-130.1	101.2	176	56.3	0	0	0	0	111.2	I105	I105-T107 HydrophobicContact CG2-CG2 4.39Å; I105-T107 WeakPolarHBondContact CG2-OG1 3.2Å; I105-T107 PolarHBondContact O-N 3.38Å
108	G	64.2	Low	79.6	Confident	71 Å²	71	82.4 Å²	82.4	73%	0.732	47%	0.467	S	S	*	.	S	Bend	trans	101.9	173.2	164.1	0	0	0	0	0	116.5	D110	G108-D110 PolarHBondContact O-N 3.48Å; G108-D110 VanDerWaalsContact O-N 3.11Å
109	K	64.4	Low	79.7	Confident	210 Å²	210	77 Å²	77	91%	0.913	45%	0.447	S	S	*	.	S	Bend	trans	-65	-9.4	-173.2	-73.1	-179	176.7	178.9	0	114.6
110	D	65.4	Low	79.8	Confident	127 Å²	127	77 Å²	77	68%	0.679	45%	0.446	S	S	*	.	S	Bend	trans	-118.5	122.1	174.8	-68.4	-45.1	0	0	0	109.6	G108 T112	G108-D110 PolarHBondContact O-N 3.48Å; G108-D110 VanDerWaalsContact O-N 3.11Å; D110-T112 PolarHBondContact O-N 3.38Å
111	P	65.6	Low	80	Confident	100 Å²	100	72.6 Å²	72.6	65%	0.649	42%	0.424	S	S	*	.			trans	-66.6	107.8	176.2	26.5	-31.3	0	0	0	109.1	F113	P111-F113 HydrophobicContact CB-CE2 4.13Å; P111-F113 HydrophobicContact CB-CZ 4.11Å
112	T	72.7	Confident	80.4	Confident	67 Å²	67	71.2 Å²	71.2	41%	0.411	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.8	168.4	51.8	0	0	0	0	108.7	I105 D110	I105-T112 WeakPolarHBondContact CB-O 3.42Å; I105-T112 PolarHBondContact N-O 2.53Å; D110-T112 PolarHBondContact O-N 3.38Å
113	F	78.5	Confident	80.7	Confident	119 Å²	119	68.9 Å²	68.9	52%	0.522	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.6	-177.7	-61	-85.7	0	0	0	109.7	T102 N103 P104 P111	T102-F113 HydrophobicContact CG2-CB 3.53Å; T102-F113 HydrophobicContact CG2-CD1 3.63Å; T102-F113 HydrophobicContact CG2-CG 3.79Å; N103-F113 WeakPolarHBondContact O-CA 3.36Å; P104-F113 HydrophobicContact CB-CD1 4.19Å; P104-F113 HydrophobicContact CB-CE1 4.16Å; P111-F113 HydrophobicContact CB-CE2 4.13Å; P111-F113 HydrophobicContact CB-CZ 4.11Å
114	D	81.8	Confident	81.1	Confident	81 Å²	81	68.2 Å²	68.2	43%	0.433	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127	167.3	-174.9	24.7	0	0	0	108.8	T102 N103 I105	T102-D114 CarbonylContact C-O 3.56Å; T102-D114 WeakPolarHBondContact CA-O 3.09Å; N103-D114 HydrophobicContact CB-CB 4.47Å; N103-D114 PolarHBondContact N-O 3.28Å; N103-D114 PolarHBondContact O-N 2.87Å; I105-D114 HydrophobicContact CD1-CB 4.01Å; I105-D114 HydrophobicContact CG1-CB 4.07Å
115	T	88.8	Confident	82	Confident	73 Å²	73	64.5 Å²	64.5	45%	0.448	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.8	-176.3	-58.3	0	0	0	0	110.8	I100 M101	I100-T115 HydrophobicContact CG2-CG2 3.52Å; M101-T115 CarbonylContact O-C 3.59Å; M101-T115 VanDerWaalsContact O-CA 3.23Å; M101-T115 WeakPolarHBondContact O-CA 3.5Å
116	I	92.1	Very high	83	Confident	51 Å²	51	65.6 Å²	65.6	26%	0.262	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.4	174.2	-57.7	174	0	0	0	108.3	M101 Y118 V144	M101-I116 HydrophobicContact CB-CB 4.19Å; M101-I116 PolarHBondContact N-O 3.44Å; M101-I116 PolarHBondContact O-N 3.4Å; I116-Y118 HydrophobicContact CG2-CD2 4.29Å; I116-Y118 HydrophobicContact CG2-CE2 3.83Å; I116-V144 HydrophobicContact CG2-CG1 3.84Å; I116-V144 HydrophobicContact CG2-CG2 4.25Å
117	T	95.3	Very high	84.4	Confident	30 Å²	30	65.6 Å²	65.6	18%	0.184	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.3	176.4	-61	0	0	0	0	110	I100 V144 T145	I100-T117 HydrophobicContact CG1-CG2 4.23Å; T117-V144 CarbonylContact O-C 3.56Å; T117-V144 WeakPolarHBondContact O-CA 3.2Å; T117-T145 PolarHBondContact O-N 2.8Å; T117-T145 PolarHBondContact O-OG1 3.35Å
118	Y	96.1	Very high	85.9	Confident	21 Å²	21	68.1 Å²	68.1	8%	0.082	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.1	165.5	-63.7	-94.9	0	0	0	108.8	M99 M101 I116 W120 L131 M134 Q142 P143 V144	M99-Y118 HydrophobicContact CE-CD2 3.59Å; M99-Y118 HydrophobicContact CE-CE2 3.9Å; M99-Y118 HydrophobicContact CE-CG 4.05Å; M99-Y118 PolarHBondContact N-O 2.75Å; M99-Y118 VanDerWaalsContact N-O 3.14Å; M99-Y118 PolarHBondContact O-N 3.44Å; M101-Y118 HydrophobicContact CG-CE2 4.23Å; I116-Y118 HydrophobicContact CG2-CD2 4.29Å; I116-Y118 HydrophobicContact CG2-CE2 3.83Å; Y118-W120 PolarHBondContact O-N 2.73Å; Y118-L131 HydrophobicContact CE2-CD2 4.39Å; Y118-M134 HydrophobicContact CD1-CE 4.37Å; Y118-M134 HydrophobicContact CD1-CG 3.91Å; Y118-M134 HydrophobicContact CD1-SD 3.96Å; Y118-M134 HydrophobicContact CE1-CB 3.92Å; Y118-M134 HydrophobicContact CE1-CG 3.77Å; Y118-M134 HydrophobicContact CE1-SD 4.18Å; Y118-Q142 HydrophobicContact CE1-CB 4.39Å; Y118-P143 CarbonylContact C-O 3.56Å; Y118-P143 WeakPolarHBondContact CA-O 3.4Å; Y118-P143 HydrophobicContact CD1-CG 4.49Å; Y118-V144 HydrophobicContact CD1-CG2 3.74Å; Y118-V144 HydrophobicContact CE1-CG2 3.5Å; Y118-V144 VanDerWaalsContact CE1-CG2 3.5Å; Y118-V144 HydrophobicContact CG-CG2 4.46Å
119	E	94.9	Very high	87.5	Confident	11 Å²	11	65.9 Å²	65.9	5%	0.051	35%	0.353	C	S	.	.	S	Bend	trans	-65.8	-22	179.1	-65.8	-175.6	176	0	0	112.4	R96 P143 T145 A150	R96-E119 WeakPolarHBondContact CD-O 3.2Å; E119-P143 PolarHBondContact N-O 2.97Å; E119-T145 VanDerWaalsContact CG-OG1 3.22Å; E119-T145 WeakPolarHBondContact CG-OG1 3.45Å; E119-T145 WeakPolarHBondContact OE1-CA 3.18Å; E119-T145 PolarHBondContact OE1-OG1 3.21Å; E119-A150 HydrophobicContact CG-CB 4.46Å; E119-A150 WeakPolarHBondContact OE2-CB 3.11Å
120	W	96.3	Very high	89	Confident	13 Å²	13	55.9 Å²	55.9	5%	0.049	31%	0.309	C	S	.	.			trans	-149	144.4	175.3	177.4	93	0	0	0	110.9	Y94 N97 Y118 P122 Y133 M134 P143 R153 D284 L285	Y94-W120 PolarHBondContact OH-NE1 2.74Å; N97-W120 CarbonylContact O-C 3.44Å; N97-W120 WeakPolarHBondContact O-CA 3.18Å; Y118-W120 PolarHBondContact O-N 2.73Å; W120-P122 HydrophobicContact CH2-CB 4.24Å; W120-P122 HydrophobicContact CH2-CG 3.8Å; W120-P122 HydrophobicContact CZ3-CG 4.1Å; W120-Y133 HydrophobicContact CZ3-CE1 4.14Å; W120-M134 HydrophobicContact CE3-CE 4.17Å; W120-M134 HydrophobicContact CZ3-CE 4.32Å; W120-M134 WeakPolarHBondContact O-CE 3.46Å; W120-P143 HydrophobicContact CB-CG 4.48Å; W120-P143 WeakPolarHBondContact O-CG 3.49Å; W120-R153 VanDerWaalsContact CB-CZ 3.44Å; W120-D284 HydrophobicContact CD2-CB 4.47Å; W120-D284 VanDerWaalsContact CZ2-C 3.47Å; W120-D284 VanDerWaalsContact CZ2-CA 3.44Å; W120-D284 HydrophobicContact CZ2-CB 4.09Å; W120-D284 VanDerWaalsContact NE1-CG 3.33Å; W120-L285 HydrophobicContact CH2-CD1 3.87Å; W120-L285 HydrophobicContact CH2-CG 3.74Å; W120-L285 HydrophobicContact CZ2-CD1 4.23Å; W120-L285 HydrophobicContact CZ2-CG 4.09Å
121	A	96.4	Very high	90.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.286	C	S	.	.			trans	-138.2	157	167.8	0	0	0	0	0	110.2	N97 M99 M134	N97-A121 PolarHBondContact O-N 2.77Å; M99-A121 HydrophobicContact CB-CB 3.87Å; M99-A121 HydrophobicContact SD-CB 4.48Å; A121-M134 HydrophobicContact CB-CE 3.95Å
122	P	96.5	Very high	91.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.			trans	-52	141.6	177.7	-26.9	33.9	0	0	0	112.6	N97 W120 V125 Y133 V199 L285	N97-P122 PolarHBondContact ND2-O 3.45Å; W120-P122 HydrophobicContact CH2-CB 4.24Å; W120-P122 HydrophobicContact CH2-CG 3.8Å; W120-P122 HydrophobicContact CZ3-CG 4.1Å; P122-V125 HydrophobicContact CB-CG1 4.08Å; P122-V125 HydrophobicContact CB-CG2 4.12Å; P122-V125 WeakPolarHBondContact O-CG2 3.19Å; P122-Y133 HydrophobicContact CG-CD1 3.69Å; P122-Y133 HydrophobicContact CG-CD2 4.09Å; P122-Y133 HydrophobicContact CG-CE1 3.88Å; P122-Y133 HydrophobicContact CG-CE2 4.23Å; P122-Y133 HydrophobicContact CG-CG 3.82Å; P122-V199 HydrophobicContact CB-CB 3.87Å; P122-V199 HydrophobicContact CB-CG2 3.61Å; P122-V199 HydrophobicContact CG-CB 4.26Å; P122-V199 HydrophobicContact CG-CG2 3.73Å; P122-L285 HydrophobicContact CB-CD1 4.16Å; P122-L285 HydrophobicContact CG-CD1 4.4Å
123	P	92.3	Very high	93.1	Very high	24 Å²	24	47 Å²	47	16%	0.156	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	136.3	-178	27.6	-33.3	0	0	0	112.2	L81 V125 V196 K209	L81-P123 HydrophobicContact CD2-CB 3.85Å; L81-P123 HydrophobicContact CD2-CG 4.36Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 2.87Å; P123-V196 HydrophobicContact CG-CG1 4.48Å; P123-K209 PolarHBondContact O-NZ 3.17Å
124	G	89.3	Confident	94	Very high	52 Å²	52	41.4 Å²	41.4	54%	0.536	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	25.7	172.6	0	0	0	0	0	114.9	K209	G124-K209 VanDerWaalsContact C-NZ 3.27Å; G124-K209 WeakPolarHBondContact O-CD 3.44Å; G124-K209 WeakPolarHBondContact O-CE 3.29Å; G124-K209 PolarHBondContact O-NZ 3.25Å
125	V	93.7	Very high	94.6	Very high	25 Å²	25	44.2 Å²	44.2	15%	0.152	24%	0.237	C	C	.	.			trans	-98.9	154.7	169.2	-58.9	0	0	0	0	110.4	P122 P123 L129 V199	P122-V125 HydrophobicContact CB-CG1 4.08Å; P122-V125 HydrophobicContact CB-CG2 4.12Å; P122-V125 WeakPolarHBondContact O-CG2 3.19Å; P123-V125 VanDerWaalsContact C-N 3.33Å; P123-V125 PolarHBondContact O-N 2.87Å; V125-L129 HydrophobicContact CB-CB 4.35Å; V125-L129 HydrophobicContact CB-CD2 4.17Å; V125-L129 HydrophobicContact CB-CG 4.46Å; V125-L129 HydrophobicContact CG1-CD2 4.05Å; V125-V199 HydrophobicContact CG1-CB 3.83Å; V125-V199 HydrophobicContact CG1-CG1 4.03Å; V125-V199 WeakPolarHBondContact CG1-O 3.37Å
126	T	94.4	Very high	95	Very high	95 Å²	95	44 Å²	44	58%	0.583	23%	0.233	S	C	*	.			trans	-67.1	158.3	168.5	65.5	0	0	0	0	110.1	K128 L129 G130	T126-K128 VanDerWaalsContact C-N 3.27Å; T126-K128 PolarHBondContact O-N 3.46Å; T126-L129 PolarHBondContact O-N 3.5Å; T126-L129 PolarHBondContact OG1-N 3.21Å; T126-G130 PolarHBondContact O-N 3.49Å
127	Q	92.1	Very high	95.3	Very high	106 Å²	106	42.7 Å²	42.7	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-56.9	-42.1	176.8	-171.2	177.5	26.5	0	0	111.7	M99 I100 M101 L129 G130 L131	M99-Q127 HydrophobicContact CG-CG 4.38Å; M99-Q127 HydrophobicContact SD-CG 4.14Å; I100-Q127 PolarHBondContact O-NE2 3.48Å; I100-Q127 VanDerWaalsContact O-NE2 3.13Å; M101-Q127 HydrophobicContact SD-CG 4.04Å; M101-Q127 PolarHBondContact SD-NE2 2.68Å; Q127-L129 PolarHBondContact O-N 3.22Å; Q127-G130 PolarHBondContact O-N 2.84Å; Q127-L131 HydrophobicContact CG-CD1 4.32Å; Q127-L131 VanDerWaalsContact O-CG 3.29Å; Q127-L131 WeakPolarHBondContact O-CG 3.49Å; Q127-L131 PolarHBondContact O-N 3.1Å
128	K	93.9	Very high	95.3	Very high	154 Å²	154	43.7 Å²	43.7	67%	0.67	23%	0.233	S	C	*	.	H	α-helix	trans	-57	-51.9	176.8	-177.6	-178.3	176.5	-176.2	0	111.9	T126 G130 L131 Q132	T126-K128 VanDerWaalsContact C-N 3.27Å; T126-K128 PolarHBondContact O-N 3.46Å; K128-G130 VanDerWaalsContact C-N 3.33Å; K128-G130 PolarHBondContact O-N 3.36Å; K128-L131 PolarHBondContact O-N 3.44Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3.46Å; K128-Q132 VanDerWaalsContact O-N 3.1Å
129	L	96.1	Very high	95.2	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-37.1	-179.5	-173.2	65	0	0	0	111.5	V125 T126 Q127 L131 Q132 Y133 V199 L201 P255	V125-L129 HydrophobicContact CB-CB 4.35Å; V125-L129 HydrophobicContact CB-CD2 4.17Å; V125-L129 HydrophobicContact CB-CG 4.46Å; V125-L129 HydrophobicContact CG1-CD2 4.05Å; T126-L129 PolarHBondContact O-N 3.5Å; T126-L129 PolarHBondContact OG1-N 3.21Å; Q127-L129 PolarHBondContact O-N 3.22Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.23Å; L129-Q132 PolarHBondContact O-N 3.21Å; L129-Y133 WeakPolarHBondContact O-CB 3.42Å; L129-Y133 PolarHBondContact O-N 2.76Å; L129-V199 HydrophobicContact CD2-CG1 4.47Å; L129-V199 HydrophobicContact CG-CG1 4.48Å; L129-L201 HydrophobicContact CD1-CD2 3.89Å; L129-L201 HydrophobicContact CD1-CG 4.29Å; L129-P255 HydrophobicContact CD1-CB 3.84Å; L129-P255 HydrophobicContact CD1-CG 4.39Å
130	G	96.3	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-39	173.5	0	0	0	0	0	112.8	T126 Q127 K128 Y133 M134	T126-G130 PolarHBondContact O-N 3.49Å; Q127-G130 PolarHBondContact O-N 2.84Å; K128-G130 VanDerWaalsContact C-N 3.33Å; K128-G130 PolarHBondContact O-N 3.36Å; G130-Y133 WeakPolarHBondContact O-CB 3.18Å; G130-Y133 PolarHBondContact O-N 3.38Å; G130-M134 WeakPolarHBondContact O-CG 3.29Å; G130-M134 PolarHBondContact O-N 2.92Å
131	L	94.9	Very high	95.2	Very high	38 Å²	38	57.2 Å²	57.2	20%	0.199	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-47.7	175.4	-70.2	165.4	0	0	0	112.4	M99 M101 Y118 Q127 K128 L129 Y133 M134 E135	M99-L131 HydrophobicContact CE-CD2 3.68Å; M99-L131 HydrophobicContact CE-CG 4.14Å; M99-L131 HydrophobicContact SD-CD2 4.34Å; M99-L131 HydrophobicContact SD-CG 4.29Å; M101-L131 HydrophobicContact CE-CD1 3.39Å; M101-L131 HydrophobicContact CE-CD2 3.69Å; M101-L131 HydrophobicContact CE-CG 4.14Å; M101-L131 HydrophobicContact CG-CD2 3.66Å; M101-L131 HydrophobicContact SD-CD1 3.51Å; M101-L131 VanDerWaalsContact SD-CD1 3.51Å; M101-L131 HydrophobicContact SD-CD2 3.5Å; M101-L131 VanDerWaalsContact SD-CD2 3.5Å; M101-L131 HydrophobicContact SD-CG 3.9Å; Y118-L131 HydrophobicContact CE2-CD2 4.39Å; Q127-L131 HydrophobicContact CG-CD1 4.32Å; Q127-L131 VanDerWaalsContact O-CG 3.29Å; Q127-L131 WeakPolarHBondContact O-CG 3.49Å; Q127-L131 PolarHBondContact O-N 3.1Å; K128-L131 PolarHBondContact O-N 3.44Å; L129-L131 VanDerWaalsContact C-N 3.32Å; L129-L131 PolarHBondContact O-N 3.23Å; L131-Y133 PolarHBondContact O-N 3.39Å; L131-M134 PolarHBondContact O-N 2.81Å; L131-E135 WeakPolarHBondContact O-CG 3.28Å; L131-E135 PolarHBondContact O-N 3.19Å
132	Q	97.1	Very high	95.2	Very high	55 Å²	55	57.4 Å²	57.4	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-56.4	-38.7	175.2	-68.4	177.6	-61.9	0	0	110.9	K128 L129 E135 L136 P255	K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3.46Å; K128-Q132 VanDerWaalsContact O-N 3.1Å; L129-Q132 PolarHBondContact O-N 3.21Å; Q132-E135 PolarHBondContact O-N 2.89Å; Q132-L136 WeakPolarHBondContact O-CG 3.4Å; Q132-L136 PolarHBondContact O-N 3.35Å; Q132-P255 HydrophobicContact CB-CG 3.91Å
133	Y	97.9	Very high	95.2	Very high	14 Å²	14	57.8 Å²	57.8	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-48.4	174.2	177.6	-83.1	0	0	0	111.3	W120 P122 L129 G130 L131 E135 L136 I137 V199 V257 P270	W120-Y133 HydrophobicContact CZ3-CE1 4.14Å; P122-Y133 HydrophobicContact CG-CD1 3.69Å; P122-Y133 HydrophobicContact CG-CD2 4.09Å; P122-Y133 HydrophobicContact CG-CE1 3.88Å; P122-Y133 HydrophobicContact CG-CE2 4.23Å; P122-Y133 HydrophobicContact CG-CG 3.82Å; L129-Y133 WeakPolarHBondContact O-CB 3.42Å; L129-Y133 PolarHBondContact O-N 2.76Å; G130-Y133 WeakPolarHBondContact O-CB 3.18Å; G130-Y133 PolarHBondContact O-N 3.38Å; L131-Y133 PolarHBondContact O-N 3.39Å; Y133-E135 VanDerWaalsContact C-N 3.3Å; Y133-E135 PolarHBondContact O-N 2.99Å; Y133-L136 PolarHBondContact O-N 2.98Å; Y133-I137 HydrophobicContact CD1-CG1 4.32Å; Y133-I137 HydrophobicContact CE1-CD1 4.07Å; Y133-I137 HydrophobicContact CE1-CG1 3.91Å; Y133-V199 HydrophobicContact CD2-CB 4.44Å; Y133-V199 HydrophobicContact CD2-CG1 3.8Å; Y133-V199 HydrophobicContact CD2-CG2 3.71Å; Y133-V199 HydrophobicContact CE2-CG2 3.64Å; Y133-V199 HydrophobicContact CG-CG1 4.45Å; Y133-V257 HydrophobicContact CE2-CG2 4Å; Y133-P270 HydrophobicContact CD2-CB 3.88Å; Y133-P270 HydrophobicContact CD2-CG 3.61Å; Y133-P270 HydrophobicContact CE2-CB 3.48Å; Y133-P270 VanDerWaalsContact CE2-CB 3.48Å; Y133-P270 HydrophobicContact CE2-CG 3.65Å; Y133-P270 HydrophobicContact CG-CG 4.48Å
134	M	96.9	Very high	95.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-34.6	179.5	-68.3	-58.4	170	0	0	112.7	M99 Y118 W120 A121 G130 L131 L136 I137 Q142 P143	M99-M134 HydrophobicContact CE-CG 3.98Å; Y118-M134 HydrophobicContact CD1-CE 4.37Å; Y118-M134 HydrophobicContact CD1-CG 3.91Å; Y118-M134 HydrophobicContact CD1-SD 3.96Å; Y118-M134 HydrophobicContact CE1-CB 3.92Å; Y118-M134 HydrophobicContact CE1-CG 3.77Å; Y118-M134 HydrophobicContact CE1-SD 4.18Å; W120-M134 HydrophobicContact CE3-CE 4.17Å; W120-M134 HydrophobicContact CZ3-CE 4.32Å; W120-M134 WeakPolarHBondContact O-CE 3.46Å; A121-M134 HydrophobicContact CB-CE 3.95Å; G130-M134 WeakPolarHBondContact O-CG 3.29Å; G130-M134 PolarHBondContact O-N 2.92Å; L131-M134 PolarHBondContact O-N 2.81Å; M134-L136 PolarHBondContact O-N 3.5Å; M134-I137 PolarHBondContact O-N 2.85Å; M134-I137 VanDerWaalsContact O-N 3.09Å; M134-Q142 PolarHBondContact O-NE2 3.04Å; M134-P143 HydrophobicContact CE-CG 4.35Å; M134-P143 HydrophobicContact SD-CG 4.45Å
135	E	96.1	Very high	95.6	Very high	140 Å²	140	58.6 Å²	58.6	65%	0.654	29%	0.292	S	S	*	.	H	α-helix	trans	-62	-29.6	176.5	-74.1	171.1	178.7	0	0	113	L131 Q132 Y133 I137	L131-E135 WeakPolarHBondContact O-CG 3.28Å; L131-E135 PolarHBondContact O-N 3.19Å; Q132-E135 PolarHBondContact O-N 2.89Å; Y133-E135 VanDerWaalsContact C-N 3.3Å; Y133-E135 PolarHBondContact O-N 2.99Å; E135-I137 VanDerWaalsContact C-N 3.34Å
136	L	97	Very high	95.4	Very high	69 Å²	69	60.2 Å²	60.2	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-80.5	-14	176.3	-63	176.7	0	0	0	113.4	Q132 Y133 M134 S254 P255 P270 T271	Q132-L136 WeakPolarHBondContact O-CG 3.4Å; Q132-L136 PolarHBondContact O-N 3.35Å; Y133-L136 PolarHBondContact O-N 2.98Å; M134-L136 PolarHBondContact O-N 3.5Å; L136-S254 WeakPolarHBondContact CD1-OG 3.41Å; L136-P255 HydrophobicContact CD1-CG 3.87Å; L136-P270 HydrophobicContact CB-CB 4.3Å; L136-P270 HydrophobicContact CB-CG 4.18Å; L136-P270 HydrophobicContact CD1-CG 3.8Å; L136-T271 WeakPolarHBondContact O-CG2 3.3Å
137	I	96.9	Very high	95.3	Very high	24 Å²	24	58.2 Å²	58.2	12%	0.123	30%	0.301	C	S	.	.	S	Bend	trans	-85.4	134.2	176.3	-56.9	-56.1	0	0	0	109.5	Y133 M134 E135 K139 K141 Q142 P270 T271	Y133-I137 HydrophobicContact CD1-CG1 4.32Å; Y133-I137 HydrophobicContact CE1-CD1 4.07Å; Y133-I137 HydrophobicContact CE1-CG1 3.91Å; M134-I137 PolarHBondContact O-N 2.85Å; M134-I137 VanDerWaalsContact O-N 3.09Å; E135-I137 VanDerWaalsContact C-N 3.34Å; I137-K139 PolarHBondContact O-N 3.44Å; I137-K141 HydrophobicContact CG2-CB 3.96Å; I137-Q142 HydrophobicContact CB-CG 4.11Å; I137-Q142 HydrophobicContact CG2-CG 4.09Å; I137-Q142 PolarHBondContact O-NE2 3.32Å; I137-P270 HydrophobicContact CD1-CB 3.72Å; I137-T271 HydrophobicContact CD1-CG2 4.35Å
138	P	96.6	Very high	95.3	Very high	50 Å²	50	60 Å²	60	33%	0.325	31%	0.31	S	S	.	.			trans	-51.5	138.1	174.1	-27.1	34.4	0	0	0	112.1	E140 K141 Q142	P138-E140 VanDerWaalsContact C-N 3.26Å; P138-E140 HydrophobicContact CB-CG 4.44Å; P138-E140 WeakPolarHBondContact CB-OE1 3.46Å; P138-E140 PolarHBondContact O-N 2.8Å; P138-K141 CarbonylContact O-C 3.58Å; P138-K141 WeakPolarHBondContact O-CA 3.42Å; P138-K141 PolarHBondContact O-N 2.88Å; P138-Q142 PolarHBondContact O-N 2.86Å
139	K	94.3	Very high	95.3	Very high	142 Å²	142	52.8 Å²	52.8	62%	0.617	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-56.7	-40.2	-170.6	-73.6	-75.2	166.7	-168.1	0	112.5	I137 K141 Q142	I137-K139 PolarHBondContact O-N 3.44Å; K139-K141 PolarHBondContact O-N 2.77Å; K139-Q142 PolarHBondContact O-N 3.12Å
140	E	94.6	Very high	95.1	Very high	127 Å²	127	51.6 Å²	51.6	59%	0.593	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-67.3	-11.7	176.5	64.1	-84.8	-163.3	0	0	114.4	P138 G149	P138-E140 VanDerWaalsContact C-N 3.26Å; P138-E140 HydrophobicContact CB-CG 4.44Å; P138-E140 WeakPolarHBondContact CB-OE1 3.46Å; P138-E140 PolarHBondContact O-N 2.8Å; E140-G149 WeakPolarHBondContact O-CA 3.45Å; E140-G149 PolarHBondContact O-N 3.08Å
141	K	95.9	Very high	94.7	Very high	60 Å²	60	54.5 Å²	54.5	26%	0.261	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-111.6	-4.3	175.6	-63.9	-171.3	177.9	-166.7	0	113.2	I137 P138 K139 Y152 E280	I137-K141 HydrophobicContact CG2-CB 3.96Å; P138-K141 CarbonylContact O-C 3.58Å; P138-K141 WeakPolarHBondContact O-CA 3.42Å; P138-K141 PolarHBondContact O-N 2.88Å; K139-K141 PolarHBondContact O-N 2.77Å; K141-Y152 HydrophobicContact CB-CD1 4.07Å; K141-Y152 HydrophobicContact CB-CE1 4.03Å; K141-Y152 HydrophobicContact CD-CD1 4.45Å; K141-Y152 HydrophobicContact CD-CE1 3.73Å; K141-Y152 HydrophobicContact CD-CE2 4.44Å; K141-Y152 WeakPolarHBondContact CE-OH 3.2Å; K141-Y152 HydrophobicContact CG-CD1 3.96Å; K141-Y152 HydrophobicContact CG-CE1 3.75Å; K141-Y152 HydrophobicContact CG-CG 4.43Å; K141-Y152 PolarHBondContact NZ-OH 3.4Å; K141-Y152 VanDerWaalsContact NZ-OH 3.12Å; K141-E280 IonicContact NZ-OE2 3.24Å
142	Q	96.8	Very high	94.6	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.028	28%	0.281	C	S	.	.	S	Bend	trans	-69.7	130.1	177.8	-68.7	-178.8	14	0	0	109.9	Y118 M134 I137 P138 K139 V144 G149	Y118-Q142 HydrophobicContact CE1-CB 4.39Å; M134-Q142 PolarHBondContact O-NE2 3.04Å; I137-Q142 HydrophobicContact CB-CG 4.11Å; I137-Q142 HydrophobicContact CG2-CG 4.09Å; I137-Q142 PolarHBondContact O-NE2 3.32Å; P138-Q142 PolarHBondContact O-N 2.86Å; K139-Q142 PolarHBondContact O-N 3.12Å; Q142-V144 HydrophobicContact CB-CG2 4.24Å; Q142-V144 PolarHBondContact O-N 3.2Å; Q142-G149 CarbonylContact O-C 3.59Å; Q142-G149 VanDerWaalsContact O-C 3.31Å; Q142-G149 WeakPolarHBondContact O-CA 3.23Å
143	P	96.1	Very high	94.5	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.045	27%	0.271	C	S	.	.			trans	-80	51.9	-172.8	34.7	-37.9	0	0	0	112.3	Y118 E119 W120 M134 R153	Y118-P143 CarbonylContact C-O 3.56Å; Y118-P143 WeakPolarHBondContact CA-O 3.4Å; Y118-P143 HydrophobicContact CD1-CG 4.49Å; E119-P143 PolarHBondContact N-O 2.97Å; W120-P143 HydrophobicContact CB-CG 4.48Å; W120-P143 WeakPolarHBondContact O-CG 3.49Å; M134-P143 HydrophobicContact CE-CG 4.35Å; M134-P143 HydrophobicContact SD-CG 4.45Å; P143-R153 HydrophobicContact CB-CB 4.19Å; P143-R153 VanDerWaalsContact CB-CD 3.5Å; P143-R153 HydrophobicContact CB-CG 4.44Å
144	V	96.1	Very high	94.2	Very high	28 Å²	28	53.5 Å²	53.5	17%	0.17	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-78.6	129.5	178.2	179.9	0	0	0	0	109.3	I116 T117 Y118 Q142 G146 T147 A150	I116-V144 HydrophobicContact CG2-CG1 3.84Å; I116-V144 HydrophobicContact CG2-CG2 4.25Å; T117-V144 CarbonylContact O-C 3.56Å; T117-V144 WeakPolarHBondContact O-CA 3.2Å; Y118-V144 HydrophobicContact CD1-CG2 3.74Å; Y118-V144 HydrophobicContact CE1-CG2 3.5Å; Y118-V144 VanDerWaalsContact CE1-CG2 3.5Å; Y118-V144 HydrophobicContact CG-CG2 4.46Å; Q142-V144 HydrophobicContact CB-CG2 4.24Å; Q142-V144 PolarHBondContact O-N 3.2Å; V144-G146 PolarHBondContact O-N 3.32Å; V144-T147 HydrophobicContact CB-CG2 3.76Å; V144-T147 HydrophobicContact CG1-CG2 3.82Å; V144-T147 WeakPolarHBondContact O-CB 3.43Å; V144-T147 WeakPolarHBondContact O-CG2 3.32Å; V144-T147 PolarHBondContact O-N 3.26Å; V144-T147 PolarHBondContact O-OG1 3.21Å; V144-A150 WeakPolarHBondContact O-CB 3.32Å
145	T	93.7	Very high	93.9	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	129.4	-177.4	-66.2	0	0	0	0	111.5	T117 E119 T147	T117-T145 PolarHBondContact O-N 2.8Å; T117-T145 PolarHBondContact O-OG1 3.35Å; E119-T145 VanDerWaalsContact CG-OG1 3.22Å; E119-T145 WeakPolarHBondContact CG-OG1 3.45Å; E119-T145 WeakPolarHBondContact OE1-CA 3.18Å; E119-T145 PolarHBondContact OE1-OG1 3.21Å; T145-T147 VanDerWaalsContact C-N 3.3Å; T145-T147 PolarHBondContact O-N 2.94Å
146	G	89.8	Confident	93.8	Very high	59 Å²	59	52.1 Å²	52.1	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	0.6	179.4	0	0	0	0	0	115.7	V144	V144-G146 PolarHBondContact O-N 3.32Å
147	T	92.6	Very high	93.7	Very high	53 Å²	53	48.9 Å²	48.9	33%	0.325	25%	0.248	S	C	.	.	S	Bend	trans	-99.4	161.9	179.1	71.7	0	0	0	0	112.8	V144 T145 G149 A150 F151	V144-T147 HydrophobicContact CB-CG2 3.76Å; V144-T147 HydrophobicContact CG1-CG2 3.82Å; V144-T147 WeakPolarHBondContact O-CB 3.43Å; V144-T147 WeakPolarHBondContact O-CG2 3.32Å; V144-T147 PolarHBondContact O-N 3.26Å; V144-T147 PolarHBondContact O-OG1 3.21Å; T145-T147 VanDerWaalsContact C-N 3.3Å; T145-T147 PolarHBondContact O-N 2.94Å; T147-G149 PolarHBondContact O-N 3.24Å; T147-G149 VanDerWaalsContact O-N 3.15Å; T147-G149 PolarHBondContact OG1-N 2.98Å; T147-A150 WeakPolarHBondContact O-CB 3.45Å; T147-A150 PolarHBondContact O-N 2.91Å; T147-F151 WeakPolarHBondContact O-CD2 3.4Å; T147-F151 PolarHBondContact O-N 3.38Å
148	E	90.8	Very high	93.4	Very high	144 Å²	144	48.6 Å²	48.6	67%	0.673	25%	0.247	S	C	*	.	H	α-helix	trans	-49.2	-36.4	171	-76.1	-65.3	149.9	0	0	112.8	A150 F151 Y152	E148-A150 PolarHBondContact O-N 2.93Å; E148-F151 PolarHBondContact O-N 3.49Å; E148-Y152 WeakPolarHBondContact O-CB 3.37Å; E148-Y152 PolarHBondContact O-N 3.36Å
149	G	94.4	Very high	93.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-69.1	-33	179.4	0	0	0	0	0	114	E140 Q142 T147 Y152 R153	E140-G149 WeakPolarHBondContact O-CA 3.45Å; E140-G149 PolarHBondContact O-N 3.08Å; Q142-G149 CarbonylContact O-C 3.59Å; Q142-G149 VanDerWaalsContact O-C 3.31Å; Q142-G149 WeakPolarHBondContact O-CA 3.23Å; T147-G149 PolarHBondContact O-N 3.24Å; T147-G149 VanDerWaalsContact O-N 3.15Å; T147-G149 PolarHBondContact OG1-N 2.98Å; G149-Y152 PolarHBondContact O-N 3.24Å; G149-R153 WeakPolarHBondContact O-CB 3.39Å; G149-R153 PolarHBondContact O-N 3.48Å
150	A	92.4	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-67.1	-39.9	170.7	0	0	0	0	0	112.1	E119 V144 T147 E148 R154	E119-A150 HydrophobicContact CG-CB 4.46Å; E119-A150 WeakPolarHBondContact OE2-CB 3.11Å; V144-A150 WeakPolarHBondContact O-CB 3.32Å; T147-A150 WeakPolarHBondContact O-CB 3.45Å; T147-A150 PolarHBondContact O-N 2.91Å; E148-A150 PolarHBondContact O-N 2.93Å; A150-R154 PolarHBondContact O-N 2.79Å; A150-R154 VanDerWaalsContact O-N 3.16Å; A150-R154 PolarHBondContact O-NE 3.2Å
151	F	88.7	Confident	93.5	Very high	60 Å²	60	36.1 Å²	36.1	26%	0.263	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-43.8	173.3	-62.4	-72.1	0	0	0	111.5	L29 T147 E148 R153 R154 R155	L29-F151 HydrophobicContact CD1-CB 4.21Å; L29-F151 HydrophobicContact CD1-CD1 3.79Å; L29-F151 HydrophobicContact CD1-CE1 4.45Å; L29-F151 HydrophobicContact CD1-CG 4.12Å; T147-F151 WeakPolarHBondContact O-CD2 3.4Å; T147-F151 PolarHBondContact O-N 3.38Å; E148-F151 PolarHBondContact O-N 3.49Å; F151-R153 PolarHBondContact O-N 3.11Å; F151-R154 PolarHBondContact O-N 3.12Å; F151-R155 WeakPolarHBondContact O-CB 3.5Å; F151-R155 PolarHBondContact O-N 3.08Å
152	Y	93	Very high	93.3	Very high	32 Å²	32	33.4 Å²	33.4	13%	0.125	18%	0.175	C	C	.	.	H	α-helix	trans	-57.1	-47.9	175.5	170.9	-93.5	0	0	0	111.4	K141 E148 G149 R154 R155 Q156 E280 P281	K141-Y152 HydrophobicContact CB-CD1 4.07Å; K141-Y152 HydrophobicContact CB-CE1 4.03Å; K141-Y152 HydrophobicContact CD-CD1 4.45Å; K141-Y152 HydrophobicContact CD-CE1 3.73Å; K141-Y152 HydrophobicContact CD-CE2 4.44Å; K141-Y152 WeakPolarHBondContact CE-OH 3.2Å; K141-Y152 HydrophobicContact CG-CD1 3.96Å; K141-Y152 HydrophobicContact CG-CE1 3.75Å; K141-Y152 HydrophobicContact CG-CG 4.43Å; K141-Y152 PolarHBondContact NZ-OH 3.4Å; K141-Y152 VanDerWaalsContact NZ-OH 3.12Å; E148-Y152 WeakPolarHBondContact O-CB 3.37Å; E148-Y152 PolarHBondContact O-N 3.36Å; G149-Y152 PolarHBondContact O-N 3.24Å; Y152-R154 PolarHBondContact O-N 2.83Å; Y152-R155 WeakPolarHBondContact O-CB 3.44Å; Y152-R155 PolarHBondContact O-N 3.3Å; Y152-Q156 HydrophobicContact CD1-CG 4.21Å; Y152-Q156 HydrophobicContact CD2-CG 4.4Å; Y152-Q156 HydrophobicContact CE1-CG 3.75Å; Y152-Q156 HydrophobicContact CE2-CG 3.96Å; Y152-Q156 WeakPolarHBondContact O-CG 3.49Å; Y152-Q156 PolarHBondContact O-N 3.27Å; Y152-E280 PolarHBondContact OH-OE2 3.49Å; Y152-P281 WeakPolarHBondContact OH-CD 3.49Å
153	R	94.3	Very high	93	Very high	14 Å²	14	35.3 Å²	35.3	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-48.9	176.8	177.9	-177	163.9	-90.5	-7	111.7	W120 P143 G149 F151 R155 Q156 L157 V283 D284	W120-R153 VanDerWaalsContact CB-CZ 3.44Å; P143-R153 HydrophobicContact CB-CB 4.19Å; P143-R153 VanDerWaalsContact CB-CD 3.5Å; P143-R153 HydrophobicContact CB-CG 4.44Å; G149-R153 WeakPolarHBondContact O-CB 3.39Å; G149-R153 PolarHBondContact O-N 3.48Å; F151-R153 PolarHBondContact O-N 3.11Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 2.81Å; R153-Q156 PolarHBondContact O-N 2.81Å; R153-L157 PolarHBondContact O-N 3.22Å; R153-V283 HydrophobicContact CG-CG2 4.25Å; R153-D284 IonicContact CZ-OD1 3.83Å; R153-D284 IonicContact CZ-OD2 3.94Å; R153-D284 IonicContact NE-OD1 2.88Å; R153-D284 PolarHBondContact NE-OD1 3.11Å; R153-D284 IonicContact NE-OD2 2.75Å; R153-D284 VanDerWaalsContact NH2-CG 3.28Å; R153-D284 IonicContact NH2-OD1 3.63Å; R153-D284 PolarHBondContact NH2-OD1 2.77Å; R153-D284 VanDerWaalsContact NH2-OD1 3.12Å; R153-D284 IonicContact NH2-OD2 3.12Å; R153-D284 PolarHBondContact NH2-OD2 2.94Å
154	R	90.9	Very high	92.8	Very high	41 Å²	41	36.3 Å²	36.3	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-39.7	178.7	-76.1	-177	-74.4	179.4	-5	112.1	A150 F151 Y152 L157 M158	A150-R154 PolarHBondContact O-N 2.79Å; A150-R154 VanDerWaalsContact O-N 3.16Å; A150-R154 PolarHBondContact O-NE 3.2Å; F151-R154 PolarHBondContact O-N 3.12Å; Y152-R154 PolarHBondContact O-N 2.83Å; R154-L157 WeakPolarHBondContact O-CB 3.48Å; R154-L157 PolarHBondContact O-N 2.78Å; R154-M158 PolarHBondContact O-N 3.2Å
155	R	90.9	Very high	92.7	Very high	98 Å²	98	35.1 Å²	35.1	37%	0.37	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-48.8	173.7	-168.2	173	64.6	-169	-4	111.4	E55 D56 F151 Y152 R153 L157 M158 H159	E55-R155 HydrophobicContact CB-CG 3.75Å; D56-R155 IonicContact OD1-NH1 2.79Å; F151-R155 WeakPolarHBondContact O-CB 3.5Å; F151-R155 PolarHBondContact O-N 3.08Å; Y152-R155 WeakPolarHBondContact O-CB 3.44Å; Y152-R155 PolarHBondContact O-N 3.3Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 2.81Å; R155-L157 VanDerWaalsContact C-N 3.25Å; R155-L157 PolarHBondContact O-N 2.7Å; R155-M158 PolarHBondContact O-N 2.69Å; R155-H159 WeakPolarHBondContact O-CB 3.13Å; R155-H159 PolarHBondContact O-N 3.32Å
156	Q	94.8	Very high	92.6	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.065	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-36.5	175.6	-69.2	-58.7	-26.4	0	0	111.7	Y152 R153 H159 Q160 V283	Y152-Q156 HydrophobicContact CD1-CG 4.21Å; Y152-Q156 HydrophobicContact CD2-CG 4.4Å; Y152-Q156 HydrophobicContact CE1-CG 3.75Å; Y152-Q156 HydrophobicContact CE2-CG 3.96Å; Y152-Q156 WeakPolarHBondContact O-CG 3.49Å; Y152-Q156 PolarHBondContact O-N 3.27Å; R153-Q156 PolarHBondContact O-N 2.81Å; Q156-H159 PolarHBondContact O-N 3.44Å; Q156-Q160 WeakPolarHBondContact O-CB 3.36Å; Q156-Q160 VanDerWaalsContact O-CG 3.32Å; Q156-Q160 WeakPolarHBondContact O-CG 3.42Å; Q156-Q160 PolarHBondContact O-N 3.09Å; Q156-V283 HydrophobicContact CB-CB 4.09Å; Q156-V283 HydrophobicContact CB-CG2 4.19Å
157	L	93.9	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-49.1	176.7	-171.8	66	0	0	0	111.1	D65 K68 I69 R153 R154 R155 L161 V283	D65-L157 HydrophobicContact CB-CD2 3.56Å; D65-L157 VanDerWaalsContact CG-CD2 3.49Å; K68-L157 VanDerWaalsContact NZ-C 3.34Å; K68-L157 PolarHBondContact NZ-O 3.15Å; I69-L157 HydrophobicContact CD1-CD1 3.74Å; I69-L157 HydrophobicContact CD1-CD2 4.04Å; I69-L157 HydrophobicContact CG1-CD1 3.97Å; R153-L157 PolarHBondContact O-N 3.22Å; R154-L157 WeakPolarHBondContact O-CB 3.48Å; R154-L157 PolarHBondContact O-N 2.78Å; R155-L157 VanDerWaalsContact C-N 3.25Å; R155-L157 PolarHBondContact O-N 2.7Å; L157-L161 HydrophobicContact CD1-CD1 3.85Å; L157-L161 PolarHBondContact O-N 3.42Å; L157-L161 VanDerWaalsContact O-N 3.15Å; L157-V283 HydrophobicContact CB-CG2 3.94Å; L157-V283 HydrophobicContact CD1-CG1 4.03Å; L157-V283 HydrophobicContact CD1-CG2 4.08Å
158	M	91.4	Very high	92.5	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.094	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-45.3	176.4	-71.7	-172.7	-78.7	0	0	112.2	E55 T60 R154 R155	E55-M158 HydrophobicContact CB-CB 4.31Å; E55-M158 HydrophobicContact CB-CE 4Å; E55-M158 HydrophobicContact CG-CB 3.95Å; E55-M158 WeakPolarHBondContact O-CE 3.22Å; T60-M158 HydrophobicContact CG2-CG 4.3Å; T60-M158 HydrophobicContact CG2-SD 3.93Å; R154-M158 PolarHBondContact O-N 3.2Å; R155-M158 PolarHBondContact O-N 2.69Å
159	H	93.6	Very high	92.4	Very high	53 Å²	53	25.1 Å²	25.1	25%	0.245	12%	0.12	C	C	.	.	H	α-helix	trans	-69.7	-53	-178	-172.7	-102.9	0	0	0	113.3	E55 R155 Q156 P162 R298	E55-H159 WeakPolarHBondContact OE1-CA 3.4Å; E55-H159 WeakPolarHBondContact OE1-CB 3.22Å; E55-H159 IonicContact OE1-CD2 2.73Å; E55-H159 PolarHBondContact OE1-CD2 2.98Å; E55-H159 IonicContact OE1-CG 2.83Å; E55-H159 PolarHBondContact OE1-N 2.97Å; E55-H159 VanDerWaalsContact OE2-CB 3.32Å; E55-H159 WeakPolarHBondContact OE2-CB 3.34Å; E55-H159 IonicContact OE2-CD2 3.76Å; E55-H159 PolarHBondContact OE2-CD2 3.35Å; E55-H159 IonicContact OE2-CG 3.78Å; R155-H159 WeakPolarHBondContact O-CB 3.13Å; R155-H159 PolarHBondContact O-N 3.32Å; Q156-H159 PolarHBondContact O-N 3.44Å; H159-P162 WeakPolarHBondContact O-CD 3.39Å; H159-P162 WeakPolarHBondContact O-CG 3.45Å; H159-R298 PolarHBondContact CD2-NE 3.25Å; H159-R298 VanDerWaalsContact CE1-CD 3.45Å; H159-R298 WeakPolarHBondContact CE1-CD 3.18Å; H159-R298 WeakPolarHBondContact NE2-CD 3.42Å; H159-R298 PolarHBondContact NE2-NE 3.09Å; H159-R298 WeakPolarHBondContact O-CB 3.24Å; H159-R298 PolarHBondContact O-NE 3.27Å
160	Q	96.9	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-76.1	-26.3	-171.9	-68.2	-171.6	26.8	0	0	112.7	Q156 P281 V283 C296 G297 R298	Q156-Q160 WeakPolarHBondContact O-CB 3.36Å; Q156-Q160 VanDerWaalsContact O-CG 3.32Å; Q156-Q160 WeakPolarHBondContact O-CG 3.42Å; Q156-Q160 PolarHBondContact O-N 3.09Å; Q160-P281 PolarHBondContact NE2-O 3.17Å; Q160-V283 HydrophobicContact CB-CG1 3.89Å; Q160-V283 HydrophobicContact CG-CG1 4.47Å; Q160-C296 HydrophobicContact CB-CB 3.85Å; Q160-C296 HydrophobicContact CG-CB 3.78Å; Q160-G297 CarbonylContact O-C 3.51Å; Q160-G297 VanDerWaalsContact O-CA 3.27Å; Q160-G297 WeakPolarHBondContact O-CA 3.22Å; Q160-G297 PolarHBondContact O-N 3.32Å; Q160-G297 VanDerWaalsContact O-N 3.12Å; Q160-R298 PolarHBondContact O-N 3.32Å
161	L	95.5	Very high	92	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-127	60.7	-178	-58.7	-179.6	0	0	0	111.6	K68 L72 L157 I163 Q166 V283 I286 F288	K68-L161 WeakPolarHBondContact CE-O 3.46Å; K68-L161 PolarHBondContact NZ-O 3.14Å; L72-L161 HydrophobicContact CD2-CD1 3.99Å; L72-L161 HydrophobicContact CD2-CD2 4.01Å; L157-L161 HydrophobicContact CD1-CD1 3.85Å; L157-L161 PolarHBondContact O-N 3.42Å; L157-L161 VanDerWaalsContact O-N 3.15Å; L161-I163 PolarHBondContact O-N 3.23Å; L161-Q166 PolarHBondContact O-NE2 3.18Å; L161-V283 HydrophobicContact CD1-CG1 4.13Å; L161-V283 HydrophobicContact CG-CG1 4.22Å; L161-I286 HydrophobicContact CD1-CB 4.12Å; L161-I286 HydrophobicContact CD1-CD1 3.78Å; L161-I286 HydrophobicContact CD1-CG2 3.92Å; L161-I286 HydrophobicContact CD2-CG2 4.08Å; L161-F288 HydrophobicContact CD2-CE2 3.86Å
162	P	93.1	Very high	92	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	13%	0.132	C	C	.	.			trans	-60.3	134.1	-174.4	-18.3	31	0	0	0	112.3	H159 Y164 D165 R298	H159-P162 WeakPolarHBondContact O-CD 3.39Å; H159-P162 WeakPolarHBondContact O-CG 3.45Å; P162-Y164 HydrophobicContact CB-CD1 4.49Å; P162-Y164 HydrophobicContact CB-CD2 3.85Å; P162-Y164 HydrophobicContact CB-CE1 3.94Å; P162-Y164 HydrophobicContact CB-CE2 3.2Å; P162-Y164 HydrophobicContact CB-CG 4.45Å; P162-Y164 WeakPolarHBondContact CB-OH 3.3Å; P162-Y164 HydrophobicContact CG-CE2 4.09Å; P162-Y164 PolarHBondContact O-N 2.84Å; P162-D165 HydrophobicContact CB-CB 4.5Å; P162-D165 WeakPolarHBondContact CD-OD2 3.19Å; P162-D165 WeakPolarHBondContact CG-OD2 3.41Å; P162-D165 WeakPolarHBondContact O-CB 3.45Å; P162-D165 PolarHBondContact O-N 3.35Å; P162-R298 HydrophobicContact CG-CB 4.38Å
163	I	89.9	Confident	91.6	Very high	47 Å²	47	29.6 Å²	29.6	24%	0.241	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.8	-32.8	-172.7	-165.3	172.8	0	0	0	112.4	K68 L161 D165 Q166 D167 R170	K68-I163 HydrophobicContact CB-CD1 4.48Å; K68-I163 HydrophobicContact CD-CB 4.23Å; K68-I163 HydrophobicContact CG-CB 4.44Å; K68-I163 HydrophobicContact CG-CG1 4.36Å; L161-I163 PolarHBondContact O-N 3.23Å; I163-D165 PolarHBondContact O-N 3.2Å; I163-Q166 PolarHBondContact O-N 3.23Å; I163-Q166 VanDerWaalsContact O-N 3.08Å; I163-D167 PolarHBondContact O-N 3.23Å; I163-R170 HydrophobicContact CD1-CG 4.3Å; I163-R170 HydrophobicContact CG1-CG 4.17Å; I163-R170 HydrophobicContact CG2-CB 4.34Å; I163-R170 HydrophobicContact CG2-CG 4.33Å
164	Y	92.1	Very high	91.4	Very high	27 Å²	27	30.9 Å²	30.9	11%	0.106	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-74.4	-7	176.6	44.8	-100.2	0	0	0	113.2	K45 P162 Q166 C171 M182 D312 E313	K45-Y164 HydrophobicContact CD-CD1 4.02Å; K45-Y164 HydrophobicContact CD-CE1 3.34Å; K45-Y164 HydrophobicContact CD-CE2 4.38Å; K45-Y164 VanDerWaalsContact CE-CD1 3.45Å; K45-Y164 VanDerWaalsContact NZ-CD1 3.28Å; P162-Y164 HydrophobicContact CB-CD1 4.49Å; P162-Y164 HydrophobicContact CB-CD2 3.85Å; P162-Y164 HydrophobicContact CB-CE1 3.94Å; P162-Y164 HydrophobicContact CB-CE2 3.2Å; P162-Y164 HydrophobicContact CB-CG 4.45Å; P162-Y164 WeakPolarHBondContact CB-OH 3.3Å; P162-Y164 HydrophobicContact CG-CE2 4.09Å; P162-Y164 PolarHBondContact O-N 2.84Å; Y164-Q166 VanDerWaalsContact C-N 3.29Å; Y164-C171 PolarHBondContact O-SG 3.23Å; Y164-M182 WeakPolarHBondContact O-CE 3.42Å; Y164-D312 WeakPolarHBondContact CE2-O 3.42Å; Y164-D312 PolarHBondContact OH-OD2 3Å; Y164-E313 HydrophobicContact CD2-CG 4.15Å; Y164-E313 HydrophobicContact CG-CG 4.39Å
165	D	94.8	Very high	91.6	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.4	-8.1	168	-65.6	-3.3	0	0	0	111.6	P162 I163 M182 Y189 R307	P162-D165 HydrophobicContact CB-CB 4.5Å; P162-D165 WeakPolarHBondContact CD-OD2 3.19Å; P162-D165 WeakPolarHBondContact CG-OD2 3.41Å; P162-D165 WeakPolarHBondContact O-CB 3.45Å; P162-D165 PolarHBondContact O-N 3.35Å; I163-D165 PolarHBondContact O-N 3.2Å; D165-M182 VanDerWaalsContact O-CE 3.3Å; D165-M182 WeakPolarHBondContact O-CE 3.29Å; D165-Y189 PolarHBondContact O-OH 3.46Å; D165-R307 IonicContact OD1-CZ 3.84Å; D165-R307 IonicContact OD1-NH1 3.7Å; D165-R307 PolarHBondContact OD1-NH1 2.98Å; D165-R307 IonicContact OD1-NH2 3.67Å; D165-R307 IonicContact OD2-CZ 3.94Å; D165-R307 IonicContact OD2-NH1 3.74Å; D165-R307 PolarHBondContact OD2-NH1 2.92Å; D165-R307 IonicContact OD2-NH2 2.83Å; D165-R307 PolarHBondContact OD2-NH2 3.14Å
166	Q	89.9	Confident	91.7	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.047	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-19.1	-170.9	-46.7	176.9	29	0	0	114	L72 L161 I163 Y164 Y189	L72-Q166 VanDerWaalsContact CB-OE1 3.31Å; L72-Q166 HydrophobicContact CD1-CG 4.41Å; L161-Q166 PolarHBondContact O-NE2 3.18Å; I163-Q166 PolarHBondContact O-N 3.23Å; I163-Q166 VanDerWaalsContact O-N 3.08Å; Y164-Q166 VanDerWaalsContact C-N 3.29Å; Q166-Y189 VanDerWaalsContact CA-OH 3.3Å; Q166-Y189 WeakPolarHBondContact CA-OH 3.39Å; Q166-Y189 WeakPolarHBondContact CB-OH 3.44Å; Q166-Y189 WeakPolarHBondContact CG-OH 3.13Å
167	D	89.6	Confident	91.7	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.053	21%	0.213	C	C	.	.			trans	-131.7	105.3	-175.3	-176.9	-1.5	0	0	0	109.3	R71 I163 S169 R170	R71-D167 IonicContact CZ-OD2 3.15Å; R71-D167 IonicContact NE-OD2 3.56Å; R71-D167 IonicContact NH1-OD1 2.95Å; R71-D167 PolarHBondContact NH1-OD1 3.24Å; R71-D167 IonicContact NH1-OD2 3.21Å; R71-D167 PolarHBondContact NH1-OD2 3.16Å; R71-D167 IonicContact NH2-OD2 2.66Å; R71-D167 PolarHBondContact NH2-OD2 3.27Å; R71-D167 VanDerWaalsContact NH2-OD2 3.14Å; I163-D167 PolarHBondContact O-N 3.23Å; D167-S169 PolarHBondContact O-N 2.87Å; D167-S169 VanDerWaalsContact O-N 3.14Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 2.93Å; D167-S169 VanDerWaalsContact OD1-N 3.07Å; D167-S169 PolarHBondContact OD1-OG 3.45Å; D167-S169 PolarHBondContact OD2-OG 2.85Å; D167-S169 VanDerWaalsContact OD2-OG 3.07Å; D167-R170 HydrophobicContact CB-CB 4.28Å; D167-R170 HydrophobicContact CB-CG 3.65Å; D167-R170 WeakPolarHBondContact O-CB 3.3Å; D167-R170 PolarHBondContact O-N 3.42Å; D167-R170 WeakPolarHBondContact OD2-CG 3.14Å
168	P	90.8	Very high	91.8	Very high	25 Å²	25	40.1 Å²	40.1	16%	0.162	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.8	179.5	-16.5	22.6	0	0	0	113.3	R170 C171 L174 L179 M182 E183	P168-R170 PolarHBondContact O-N 3.45Å; P168-R170 VanDerWaalsContact O-N 3.14Å; P168-C171 WeakPolarHBondContact O-CB 3.3Å; P168-C171 PolarHBondContact O-N 2.91Å; P168-C171 VanDerWaalsContact O-N 3.09Å; P168-L174 HydrophobicContact CB-CD1 4.2Å; P168-L179 HydrophobicContact CB-CD1 3.32Å; P168-L179 HydrophobicContact CG-CD1 4.17Å; P168-M182 HydrophobicContact CB-CG 3.93Å; P168-M182 HydrophobicContact CG-CG 3.8Å; P168-E183 HydrophobicContact CG-CG 3.8Å
169	S	89.1	Confident	92	Very high	67 Å²	67	41.4 Å²	41.4	47%	0.469	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.5	-14.2	177.3	75.7	0	0	0	0	113.6	D167	D167-S169 PolarHBondContact O-N 2.87Å; D167-S169 VanDerWaalsContact O-N 3.14Å; D167-S169 WeakPolarHBondContact OD1-CB 3.48Å; D167-S169 PolarHBondContact OD1-N 2.93Å; D167-S169 VanDerWaalsContact OD1-N 3.07Å; D167-S169 PolarHBondContact OD1-OG 3.45Å; D167-S169 PolarHBondContact OD2-OG 2.85Å; D167-S169 VanDerWaalsContact OD2-OG 3.07Å
170	R	89.4	Confident	92.1	Very high	59 Å²	59	44.3 Å²	44.3	22%	0.223	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-95.1	-10.1	177.4	-55.4	-64.4	-65.3	-175.7	-5.3	112.9	I163 D167 P168	I163-R170 HydrophobicContact CD1-CG 4.3Å; I163-R170 HydrophobicContact CG1-CG 4.17Å; I163-R170 HydrophobicContact CG2-CB 4.34Å; I163-R170 HydrophobicContact CG2-CG 4.33Å; D167-R170 HydrophobicContact CB-CB 4.28Å; D167-R170 HydrophobicContact CB-CG 3.65Å; D167-R170 WeakPolarHBondContact O-CB 3.3Å; D167-R170 PolarHBondContact O-N 3.42Å; D167-R170 WeakPolarHBondContact OD2-CG 3.14Å; P168-R170 PolarHBondContact O-N 3.45Å; P168-R170 VanDerWaalsContact O-N 3.14Å
171	C	90.1	Very high	92.1	Very high	16 Å²	16	46.8 Å²	46.8	11%	0.108	25%	0.249	C	C	.	.	S	Bend	trans	-77.9	152.5	174.8	-60.3	0	0	0	0	111.1	Y164 P168 L174	Y164-C171 PolarHBondContact O-SG 3.23Å; P168-C171 WeakPolarHBondContact O-CB 3.3Å; P168-C171 PolarHBondContact O-N 2.91Å; P168-C171 VanDerWaalsContact O-N 3.09Å; C171-L174 HydrophobicContact CB-CD1 3.46Å; C171-L174 VanDerWaalsContact CB-CD1 3.46Å; C171-L174 HydrophobicContact CB-CD2 4.29Å; C171-L174 HydrophobicContact CB-CG 3.63Å
172	R	87.1	Confident	92.1	Very high	57 Å²	57	46.7 Å²	46.7	22%	0.215	25%	0.248	C	C	.	.	S	Bend	trans	-99.9	105.1	-178.6	-67.4	-172.6	-169	-164	8.6	111.4	H41 S42 W43 E313	H41-R172 PolarHBondContact O-NH1 2.83Å; S42-R172 PolarHBondContact O-NH1 3.43Å; W43-R172 VanDerWaalsContact N-NH1 3.18Å; R172-E313 PolarHBondContact N-OE1 3.4Å; R172-E313 PolarHBondContact N-OE2 3.16Å
173	G	84.8	Confident	92.3	Very high	56 Å²	56	51.6 Å²	51.6	58%	0.577	27%	0.271	S	S	*	.	S	Bend	trans	77.1	32.5	165.3	0	0	0	0	0	114.5	L175	G173-L175 PolarHBondContact O-N 3.03Å
174	L	91.6	Very high	92.6	Very high	41 Å²	41	55.2 Å²	55.2	22%	0.215	29%	0.286	C	S	.	.			trans	-56.2	133.7	166.1	-66.1	176.3	0	0	0	109.9	P168 C171 E178 L179 M182 F316	P168-L174 HydrophobicContact CB-CD1 4.2Å; C171-L174 HydrophobicContact CB-CD1 3.46Å; C171-L174 VanDerWaalsContact CB-CD1 3.46Å; C171-L174 HydrophobicContact CB-CD2 4.29Å; C171-L174 HydrophobicContact CB-CG 3.63Å; L174-E178 HydrophobicContact CB-CB 4.35Å; L174-E178 HydrophobicContact CD2-CB 4.05Å; L174-L179 HydrophobicContact CD1-CD1 4.44Å; L174-M182 HydrophobicContact CD1-CB 4.24Å; L174-M182 HydrophobicContact CD1-CG 4.31Å; L174-F316 HydrophobicContact CD2-CD2 4.35Å
175	L	93.3	Very high	92.8	Very high	101 Å²	101	54.6 Å²	54.6	53%	0.529	29%	0.285	S	S	.	.			trans	-74	163.1	166.8	-58.5	177.4	0	0	0	110.4	G173 N177 E178 L179	G173-L175 PolarHBondContact O-N 3.03Å; L175-N177 VanDerWaalsContact C-N 3.29Å; L175-N177 WeakPolarHBondContact CB-OD1 3.44Å; L175-N177 PolarHBondContact O-N 3.33Å; L175-E178 HydrophobicContact CB-CB 4.39Å; L175-E178 HydrophobicContact CB-CG 4.08Å; L175-E178 PolarHBondContact N-OE2 3.35Å; L175-E178 CarbonylContact O-C 3.31Å; L175-E178 WeakPolarHBondContact O-CB 3.09Å; L175-E178 PolarHBondContact O-N 3.24Å; L175-L179 WeakPolarHBondContact O-CB 3.27Å; L175-L179 PolarHBondContact O-N 3.15Å
176	E	93.9	Very high	92.8	Very high	129 Å²	129	55.1 Å²	55.1	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-58	-39	-177.6	-174.7	61.6	-151.5	0	0	113.1	K180	E176-K180 PolarHBondContact O-N 3.45Å
177	N	94.4	Very high	93	Very high	99 Å²	99	62.2 Å²	62.2	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-38.1	174.9	62.1	-52.1	0	0	0	112.1	L175 L179 K180 L181	L175-N177 VanDerWaalsContact C-N 3.29Å; L175-N177 WeakPolarHBondContact CB-OD1 3.44Å; L175-N177 PolarHBondContact O-N 3.33Å; N177-L179 VanDerWaalsContact C-N 3.35Å; N177-K180 PolarHBondContact O-N 3.49Å; N177-L181 WeakPolarHBondContact O-CG 3.42Å; N177-L181 PolarHBondContact O-N 3.04Å
178	E	95.9	Very high	93.2	Very high	17 Å²	17	66.2 Å²	66.2	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-33.6	177.6	-62.8	171.8	162.6	0	0	111.6	L174 L175 L181 M182 F316 S317	L174-E178 HydrophobicContact CB-CB 4.35Å; L174-E178 HydrophobicContact CD2-CB 4.05Å; L175-E178 HydrophobicContact CB-CB 4.39Å; L175-E178 HydrophobicContact CB-CG 4.08Å; L175-E178 PolarHBondContact N-OE2 3.35Å; L175-E178 CarbonylContact O-C 3.31Å; L175-E178 WeakPolarHBondContact O-CB 3.09Å; L175-E178 PolarHBondContact O-N 3.24Å; E178-L181 PolarHBondContact O-N 3.28Å; E178-M182 WeakPolarHBondContact O-CB 3.13Å; E178-M182 PolarHBondContact O-N 3.49Å; E178-F316 HydrophobicContact CB-CB 3.98Å; E178-F316 HydrophobicContact CG-CB 4.17Å; E178-S317 WeakPolarHBondContact OE1-CA 3.4Å; E178-S317 WeakPolarHBondContact OE1-CB 3.07Å; E178-S317 PolarHBondContact OE1-OG 3Å
179	L	96	Very high	93.4	Very high	47 Å²	47	65.1 Å²	65.1	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-48.6	174.3	178.3	63.1	0	0	0	111	P168 L174 L175 N177 L181 M182 E183	P168-L179 HydrophobicContact CB-CD1 3.32Å; P168-L179 HydrophobicContact CG-CD1 4.17Å; L174-L179 HydrophobicContact CD1-CD1 4.44Å; L175-L179 WeakPolarHBondContact O-CB 3.27Å; L175-L179 PolarHBondContact O-N 3.15Å; N177-L179 VanDerWaalsContact C-N 3.35Å; L179-L181 PolarHBondContact O-N 3.17Å; L179-M182 WeakPolarHBondContact O-CB 3.47Å; L179-M182 PolarHBondContact O-N 3.12Å; L179-E183 WeakPolarHBondContact O-CG 3.3Å; L179-E183 PolarHBondContact O-N 3.04Å
180	K	96.3	Very high	93.7	Very high	113 Å²	113	62.7 Å²	62.7	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177.2	-67.4	177.4	-176.6	-179.5	0	112	E176 N177 M182 E183 E184	E176-K180 PolarHBondContact O-N 3.45Å; N177-K180 PolarHBondContact O-N 3.49Å; K180-M182 VanDerWaalsContact C-N 3.29Å; K180-M182 PolarHBondContact O-N 3.42Å; K180-E183 PolarHBondContact O-N 2.78Å; K180-E184 WeakPolarHBondContact O-CG 3.49Å; K180-E184 PolarHBondContact O-N 3.25Å
181	L	96.8	Very high	93.9	Very high	53 Å²	53	63.2 Å²	63.2	28%	0.277	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-39.3	176.2	-68.6	174	0	0	0	112	N177 E178 L179 F185 F316	N177-L181 WeakPolarHBondContact O-CG 3.42Å; N177-L181 PolarHBondContact O-N 3.04Å; E178-L181 PolarHBondContact O-N 3.28Å; L179-L181 PolarHBondContact O-N 3.17Å; L181-F185 WeakPolarHBondContact O-CB 3.49Å; L181-F185 PolarHBondContact O-N 3.25Å; L181-F316 HydrophobicContact CB-CD1 3.62Å; L181-F316 HydrophobicContact CB-CE1 4.2Å; L181-F316 HydrophobicContact CB-CG 4.43Å
182	M	96.4	Very high	94	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-43.2	175.9	177.8	62.9	175	0	0	112	Y164 D165 P168 L174 E178 L179 K180 F185 V186 F316	Y164-M182 WeakPolarHBondContact O-CE 3.42Å; D165-M182 VanDerWaalsContact O-CE 3.3Å; D165-M182 WeakPolarHBondContact O-CE 3.29Å; P168-M182 HydrophobicContact CB-CG 3.93Å; P168-M182 HydrophobicContact CG-CG 3.8Å; L174-M182 HydrophobicContact CD1-CB 4.24Å; L174-M182 HydrophobicContact CD1-CG 4.31Å; E178-M182 WeakPolarHBondContact O-CB 3.13Å; E178-M182 PolarHBondContact O-N 3.49Å; L179-M182 WeakPolarHBondContact O-CB 3.47Å; L179-M182 PolarHBondContact O-N 3.12Å; K180-M182 VanDerWaalsContact C-N 3.29Å; K180-M182 PolarHBondContact O-N 3.42Å; M182-F185 WeakPolarHBondContact O-CB 3.42Å; M182-F185 PolarHBondContact O-N 3.18Å; M182-F185 HydrophobicContact SD-CD1 4.4Å; M182-V186 HydrophobicContact CE-CG2 3.85Å; M182-V186 VanDerWaalsContact O-CG2 3.3Å; M182-V186 WeakPolarHBondContact O-CG2 3.45Å; M182-V186 PolarHBondContact O-N 3.33Å; M182-V186 HydrophobicContact SD-CG2 4.15Å; M182-F316 HydrophobicContact CB-CD2 4.24Å; M182-F316 HydrophobicContact CB-CE1 4.26Å; M182-F316 HydrophobicContact CB-CE2 3.85Å; M182-F316 HydrophobicContact CB-CZ 3.86Å; M182-F316 HydrophobicContact CG-CE2 4.06Å; M182-F316 HydrophobicContact CG-CZ 4.19Å; M182-F316 HydrophobicContact SD-CD2 4.34Å; M182-F316 HydrophobicContact SD-CE1 4.46Å; M182-F316 HydrophobicContact SD-CE2 3.23Å; M182-F316 WeakPolarHBondContact SD-CE2 3.41Å; M182-F316 HydrophobicContact SD-CZ 3.3Å; M182-F316 WeakPolarHBondContact SD-CZ 3.33Å
183	E	95.7	Very high	94.4	Very high	105 Å²	105	65.3 Å²	65.3	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-45.3	177.3	-72.9	175.9	165.6	0	0	112	P168 L179 K180 V186 K187	P168-E183 HydrophobicContact CG-CG 3.8Å; L179-E183 WeakPolarHBondContact O-CG 3.3Å; L179-E183 PolarHBondContact O-N 3.04Å; K180-E183 PolarHBondContact O-N 2.78Å; E183-V186 PolarHBondContact O-N 3.41Å; E183-K187 WeakPolarHBondContact O-CB 3.16Å; E183-K187 PolarHBondContact O-N 3.3Å
184	E	95.9	Very high	95	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-62.1	-44.8	175.1	-72.7	173	-176.8	0	0	111.4	K180 V186 K187 Q188	K180-E184 WeakPolarHBondContact O-CG 3.49Å; K180-E184 PolarHBondContact O-N 3.25Å; E184-V186 PolarHBondContact O-N 3.4Å; E184-K187 PolarHBondContact O-N 3.47Å; E184-Q188 WeakPolarHBondContact O-CB 3.46Å; E184-Q188 PolarHBondContact O-N 3.29Å
185	F	96.4	Very high	95.3	Very high	15 Å²	15	60.7 Å²	60.7	7%	0.066	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-46.5	176.8	179.4	-98.5	0	0	0	112.2	L181 M182 Q188 Y189 C301 L304 R305 F316	L181-F185 WeakPolarHBondContact O-CB 3.49Å; L181-F185 PolarHBondContact O-N 3.25Å; M182-F185 WeakPolarHBondContact O-CB 3.42Å; M182-F185 PolarHBondContact O-N 3.18Å; M182-F185 HydrophobicContact SD-CD1 4.4Å; F185-Q188 PolarHBondContact O-N 3.38Å; F185-Y189 AromaticContact CD1-CD1 3.97Å; F185-Y189 HydrophobicContact CD1-CD1 3.97Å; F185-Y189 HydrophobicContact CD1-CE1 4.02Å; F185-Y189 AromaticContact CE1-CD1 3.84Å; F185-Y189 HydrophobicContact CE1-CD1 3.84Å; F185-Y189 AromaticContact CE1-CE1 3.96Å; F185-Y189 HydrophobicContact CE1-CE1 3.96Å; F185-Y189 HydrophobicContact CZ-CD1 4.44Å; F185-Y189 WeakPolarHBondContact O-CD1 2.82Å; F185-Y189 PolarHBondContact O-N 3.14Å; F185-C301 HydrophobicContact CE1-CB 4.2Å; F185-C301 HydrophobicContact CZ-CB 3.95Å; F185-L304 HydrophobicContact CE2-CB 3.78Å; F185-L304 HydrophobicContact CE2-CD1 3.62Å; F185-L304 HydrophobicContact CE2-CG 4.36Å; F185-L304 HydrophobicContact CZ-CB 4.35Å; F185-L304 HydrophobicContact CZ-CD1 4.13Å; F185-R305 HydrophobicContact CD2-CG 4.47Å; F185-R305 HydrophobicContact CE2-CG 4.15Å; F185-F316 HydrophobicContact CB-CE1 3.86Å; F185-F316 HydrophobicContact CB-CZ 3.99Å; F185-F316 AromaticContact CD1-CZ 3.95Å; F185-F316 HydrophobicContact CD1-CZ 3.95Å; F185-F316 HydrophobicContact CG-CE1 4.09Å; F185-F316 AromaticContact CG-CZ 3.95Å; F185-F316 HydrophobicContact CG-CZ 3.95Å
186	V	95.4	Very high	95.5	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-44.5	177.2	170.3	0	0	0	0	111.7	M182 E183 E184 Q188 Y189 K190	M182-V186 HydrophobicContact CE-CG2 3.85Å; M182-V186 VanDerWaalsContact O-CG2 3.3Å; M182-V186 WeakPolarHBondContact O-CG2 3.45Å; M182-V186 PolarHBondContact O-N 3.33Å; M182-V186 HydrophobicContact SD-CG2 4.15Å; E183-V186 PolarHBondContact O-N 3.41Å; E184-V186 PolarHBondContact O-N 3.4Å; V186-Q188 VanDerWaalsContact C-N 3.34Å; V186-Q188 PolarHBondContact O-N 3.22Å; V186-Y189 VanDerWaalsContact CA-CE1 3.44Å; V186-Y189 HydrophobicContact CB-CE1 4.11Å; V186-Y189 HydrophobicContact CG1-CE1 4.42Å; V186-Y189 HydrophobicContact CG2-CE1 3.91Å; V186-K190 HydrophobicContact CG1-CD 4.22Å; V186-K190 WeakPolarHBondContact O-CG 3.32Å; V186-K190 PolarHBondContact O-N 2.89Å
187	K	94.7	Very high	95.7	Very high	160 Å²	160	50.3 Å²	50.3	70%	0.696	25%	0.246	S	C	*	.	H	α-helix	trans	-59.8	-47.3	177.5	-176.8	-178.2	177.5	-175.2	0	110.9	E183 E184 K190 S191	E183-K187 WeakPolarHBondContact O-CB 3.16Å; E183-K187 PolarHBondContact O-N 3.3Å; E184-K187 PolarHBondContact O-N 3.47Å; K187-K190 PolarHBondContact O-N 2.99Å; K187-S191 PolarHBondContact O-N 3.12Å; K187-S191 PolarHBondContact O-OG 2.74Å
188	Q	94.4	Very high	95.8	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-52.3	-176.1	-172.9	-177.9	-0.8	0	0	112.1	E184 F185 V186 K190 S191 E192	E184-Q188 WeakPolarHBondContact O-CB 3.46Å; E184-Q188 PolarHBondContact O-N 3.29Å; F185-Q188 PolarHBondContact O-N 3.38Å; V186-Q188 VanDerWaalsContact C-N 3.34Å; V186-Q188 PolarHBondContact O-N 3.22Å; Q188-K190 VanDerWaalsContact C-N 3.26Å; Q188-K190 PolarHBondContact O-N 3.21Å; Q188-S191 PolarHBondContact O-N 3.2Å; Q188-S191 PolarHBondContact O-OG 3.48Å; Q188-E192 HydrophobicContact CG-CG 4.45Å; Q188-E192 VanDerWaalsContact CG-OE2 3.25Å; Q188-E192 WeakPolarHBondContact CG-OE2 3.47Å; Q188-E192 PolarHBondContact NE2-OE2 3.11Å; Q188-E192 WeakPolarHBondContact O-CB 3.49Å; Q188-E192 PolarHBondContact O-N 2.64Å
189	Y	94.5	Very high	95.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-30.7	-176.4	72.3	-123.3	0	0	0	112.1	L72 D165 Q166 F185 V186 S191 A193 L194 F288 Y300	L72-Y189 HydrophobicContact CD1-CE2 3.81Å; D165-Y189 PolarHBondContact O-OH 3.46Å; Q166-Y189 VanDerWaalsContact CA-OH 3.3Å; Q166-Y189 WeakPolarHBondContact CA-OH 3.39Å; Q166-Y189 WeakPolarHBondContact CB-OH 3.44Å; Q166-Y189 WeakPolarHBondContact CG-OH 3.13Å; F185-Y189 AromaticContact CD1-CD1 3.97Å; F185-Y189 HydrophobicContact CD1-CD1 3.97Å; F185-Y189 HydrophobicContact CD1-CE1 4.02Å; F185-Y189 AromaticContact CE1-CD1 3.84Å; F185-Y189 HydrophobicContact CE1-CD1 3.84Å; F185-Y189 AromaticContact CE1-CE1 3.96Å; F185-Y189 HydrophobicContact CE1-CE1 3.96Å; F185-Y189 HydrophobicContact CZ-CD1 4.44Å; F185-Y189 WeakPolarHBondContact O-CD1 2.82Å; F185-Y189 PolarHBondContact O-N 3.14Å; V186-Y189 VanDerWaalsContact CA-CE1 3.44Å; V186-Y189 HydrophobicContact CB-CE1 4.11Å; V186-Y189 HydrophobicContact CG1-CE1 4.42Å; V186-Y189 HydrophobicContact CG2-CE1 3.91Å; Y189-S191 VanDerWaalsContact C-N 3.33Å; Y189-A193 PolarHBondContact O-N 2.53Å; Y189-L194 PolarHBondContact O-N 3.49Å; Y189-F288 HydrophobicContact CD2-CD1 4.28Å; Y189-F288 AromaticContact CD2-CE1 3.32Å; Y189-F288 HydrophobicContact CD2-CE1 3.32Å; Y189-F288 HydrophobicContact CD2-CZ 4.04Å; Y189-F288 AromaticContact CE2-CE1 3.81Å; Y189-F288 HydrophobicContact CE2-CE1 3.81Å; Y189-F288 HydrophobicContact CE2-CZ 4.08Å; Y189-F288 AromaticContact CG-CE1 3.81Å; Y189-F288 HydrophobicContact CG-CE1 3.81Å; Y189-Y300 VanDerWaalsContact CB-CE1 3.49Å; Y189-Y300 HydrophobicContact CG-CE1 4.43Å
190	K	94.6	Very high	96	Very high	16 Å²	16	45.1 Å²	45.1	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-36.8	178.3	-76.9	-175.6	-176.9	-176.5	0	111.4	R71 L72 D75 V186 K187 Q188 L194	R71-K190 PolarHBondContact O-NZ 3.35Å; L72-K190 HydrophobicContact CD1-CG 4.48Å; L72-K190 WeakPolarHBondContact O-CD 3.35Å; L72-K190 WeakPolarHBondContact O-CE 3.44Å; D75-K190 IonicContact OD2-NZ 3.59Å; V186-K190 HydrophobicContact CG1-CD 4.22Å; V186-K190 WeakPolarHBondContact O-CG 3.32Å; V186-K190 PolarHBondContact O-N 2.89Å; K187-K190 PolarHBondContact O-N 2.99Å; Q188-K190 VanDerWaalsContact C-N 3.26Å; Q188-K190 PolarHBondContact O-N 3.21Å; K190-L194 HydrophobicContact CB-CD2 4.45Å; K190-L194 HydrophobicContact CG-CD2 4.19Å
191	S	93.1	Very high	96	Very high	71 Å²	71	41.6 Å²	41.6	50%	0.497	21%	0.206	S	C	.	.	H	α-helix	trans	-80.3	-42.2	177.1	50.7	0	0	0	0	112.6	K187 Q188 Y189 R261	K187-S191 PolarHBondContact O-N 3.12Å; K187-S191 PolarHBondContact O-OG 2.74Å; Q188-S191 PolarHBondContact O-N 3.2Å; Q188-S191 PolarHBondContact O-OG 3.48Å; Y189-S191 VanDerWaalsContact C-N 3.33Å; S191-R261 PolarHBondContact O-NH1 2.76Å; S191-R261 PolarHBondContact O-NH2 3.48Å
192	E	93.1	Very high	96	Very high	115 Å²	115	39.3 Å²	39.3	54%	0.537	19%	0.194	S	C	.	.	H	α-helix	trans	-100	-26.9	-164	-66.1	175.8	-171.7	0	0	114.3	Q188 R261	Q188-E192 HydrophobicContact CG-CG 4.45Å; Q188-E192 VanDerWaalsContact CG-OE2 3.25Å; Q188-E192 WeakPolarHBondContact CG-OE2 3.47Å; Q188-E192 PolarHBondContact NE2-OE2 3.11Å; Q188-E192 WeakPolarHBondContact O-CB 3.49Å; Q188-E192 PolarHBondContact O-N 2.64Å; E192-R261 VanDerWaalsContact C-CZ 3.43Å; E192-R261 PolarHBondContact O-NH1 3.3Å
193	A	96.3	Very high	95.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-37.2	-171.1	0	0	0	0	0	114.2	Y189 G195 R261 F288 W289 Y300	Y189-A193 PolarHBondContact O-N 2.53Å; A193-G195 PolarHBondContact O-N 3.5Å; A193-R261 PolarHBondContact O-NE 3.02Å; A193-F288 HydrophobicContact CB-CB 4.43Å; A193-F288 HydrophobicContact CB-CD1 4.17Å; A193-F288 WeakPolarHBondContact O-CA 3.48Å; A193-W289 PolarHBondContact O-N 2.79Å; A193-Y300 HydrophobicContact CB-CD2 4.25Å; A193-Y300 HydrophobicContact CB-CE1 4.1Å; A193-Y300 HydrophobicContact CB-CE2 3.42Å; A193-Y300 VanDerWaalsContact CB-CE2 3.42Å; A193-Y300 VanDerWaalsContact CB-OH 3.3Å; A193-Y300 WeakPolarHBondContact CB-OH 3.44Å
194	L	97.3	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	135.8	-174.4	-179.9	64.5	0	0	0	111.8	L72 L73 Y189 K190 R261 I286 F288	L72-L194 HydrophobicContact CD1-CD1 4.24Å; L72-L194 HydrophobicContact CD1-CD2 3.99Å; L72-L194 HydrophobicContact CD2-CD1 4.06Å; L72-L194 HydrophobicContact CG-CD1 4.08Å; L72-L194 HydrophobicContact CG-CD2 3.94Å; L73-L194 HydrophobicContact CD2-CD2 4.15Å; Y189-L194 PolarHBondContact O-N 3.49Å; K190-L194 HydrophobicContact CB-CD2 4.45Å; K190-L194 HydrophobicContact CG-CD2 4.19Å; L194-R261 PolarHBondContact O-NE 3.31Å; L194-R261 VanDerWaalsContact O-NE 3.14Å; L194-R261 PolarHBondContact O-NH2 3.41Å; L194-I286 HydrophobicContact CD1-CG2 3.89Å; L194-F288 HydrophobicContact CD1-CD2 4.5Å; L194-F288 HydrophobicContact CD1-CE1 4.48Å; L194-F288 HydrophobicContact CD1-CE2 3.94Å; L194-F288 HydrophobicContact CD1-CZ 3.94Å
195	G	97.2	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.7	178.3	0	0	0	0	0	112.1	Y78 A193 Y287	Y78-G195 WeakPolarHBondContact OH-CA 3.49Å; A193-G195 PolarHBondContact O-N 3.5Å; G195-Y287 VanDerWaalsContact C-CD1 3.43Å; G195-Y287 VanDerWaalsContact CA-CE1 3.48Å; G195-Y287 PolarHBondContact N-O 3.41Å; G195-Y287 WeakPolarHBondContact O-CD1 3.38Å; G195-Y287 PolarHBondContact O-N 3.45Å
196	V	97.3	Very high	95.1	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.8	169.3	-177.1	0	0	0	0	107.7	L73 Y78 L81 P123 L285 I286	L73-V196 HydrophobicContact CD2-CG2 4.08Å; Y78-V196 HydrophobicContact CD1-CB 4.04Å; Y78-V196 HydrophobicContact CD1-CG2 3.93Å; Y78-V196 HydrophobicContact CD2-CG2 4.09Å; Y78-V196 HydrophobicContact CE1-CB 4.07Å; Y78-V196 HydrophobicContact CE1-CG2 4.3Å; Y78-V196 HydrophobicContact CE2-CG2 4.47Å; Y78-V196 HydrophobicContact CG-CB 4.42Å; Y78-V196 HydrophobicContact CG-CG2 3.81Å; L81-V196 HydrophobicContact CD1-CB 4.27Å; L81-V196 HydrophobicContact CD1-CG1 3.96Å; L81-V196 HydrophobicContact CD1-CG2 4.06Å; P123-V196 HydrophobicContact CG-CG1 4.48Å; V196-L285 CarbonylContact C-O 3.53Å; V196-L285 WeakPolarHBondContact CA-O 3.01Å; V196-I286 HydrophobicContact CG2-CG1 4.47Å
197	G	97.4	Very high	94.5	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	23%	0.231	C	C	.	.			trans	-65.3	141.9	-178.8	0	0	0	0	0	111.7	Y258 L285	G197-Y258 CarbonylContact C-O 3.43Å; G197-Y258 VanDerWaalsContact CA-O 3.27Å; G197-Y258 WeakPolarHBondContact CA-O 3.37Å; G197-L285 PolarHBondContact N-O 3.14Å
198	E	97.4	Very high	93.3	Very high	40 Å²	40	39.1 Å²	39.1	19%	0.187	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.1	178.9	-177.4	-177.2	141.4	0	0	109.7	G206 V257 Y258 Y264	E198-G206 PolarHBondContact OE1-N 2.95Å; E198-V257 CarbonylContact O-C 3.6Å; E198-V257 WeakPolarHBondContact O-CA 3.47Å; E198-Y258 PolarHBondContact N-O 3.07Å; E198-Y258 PolarHBondContact O-N 2.65Å; E198-Y264 PolarHBondContact OE2-OH 3.46Å
199	V	98.1	Very high	91.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.9	175	175.9	0	0	0	0	109.6	P122 V125 L129 Y133 P255 V256 V257 L285	P122-V199 HydrophobicContact CB-CB 3.87Å; P122-V199 HydrophobicContact CB-CG2 3.61Å; P122-V199 HydrophobicContact CG-CB 4.26Å; P122-V199 HydrophobicContact CG-CG2 3.73Å; V125-V199 HydrophobicContact CG1-CB 3.83Å; V125-V199 HydrophobicContact CG1-CG1 4.03Å; V125-V199 WeakPolarHBondContact CG1-O 3.37Å; L129-V199 HydrophobicContact CD2-CG1 4.47Å; L129-V199 HydrophobicContact CG-CG1 4.48Å; Y133-V199 HydrophobicContact CD2-CB 4.44Å; Y133-V199 HydrophobicContact CD2-CG1 3.8Å; Y133-V199 HydrophobicContact CD2-CG2 3.71Å; Y133-V199 HydrophobicContact CE2-CG2 3.64Å; Y133-V199 HydrophobicContact CG-CG1 4.45Å; V199-P255 HydrophobicContact CG1-CB 3.98Å; V199-V256 WeakPolarHBondContact CA-O 3.3Å; V199-V257 HydrophobicContact CG2-CG2 4.22Å; V199-L285 HydrophobicContact CG2-CD1 3.57Å
200	A	97.7	Very high	88.9	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	176.1	177.4	0	0	0	0	0	109.6	Q204 V256 Y258	A200-Q204 HydrophobicContact CB-CB 4.26Å; A200-V256 PolarHBondContact N-O 3.24Å; A200-V256 WeakPolarHBondContact O-CG2 3.48Å; A200-V256 PolarHBondContact O-N 3.07Å; A200-Y258 HydrophobicContact CB-CD2 4.25Å; A200-Y258 HydrophobicContact CB-CE2 4.04Å
201	L	97.1	Very high	86.2	Confident	39 Å²	39	56 Å²	56	20%	0.204	31%	0.311	C	S	.	.			trans	-76.6	158.3	167.1	-64.1	176.7	0	0	0	110.6	L129 G203 Q204 Y258	L129-L201 HydrophobicContact CD1-CD2 3.89Å; L129-L201 HydrophobicContact CD1-CG 4.29Å; L201-G203 PolarHBondContact O-N 2.88Å; L201-Q204 HydrophobicContact CB-CG 4.35Å; L201-Q204 WeakPolarHBondContact O-CB 3.21Å; L201-Q204 PolarHBondContact O-N 2.87Å; L201-Y258 PolarHBondContact O-OH 2.93Å
202	P	96.9	Very high	83.6	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.039	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	137	173.3	-28	35.2	0	0	0	112.8	Q204 Y241 A250 P251 S254 V256 Y258	P202-Q204 VanDerWaalsContact C-N 3.26Å; P202-Q204 PolarHBondContact O-N 3Å; P202-Y241 HydrophobicContact CB-CD1 3.48Å; P202-Y241 VanDerWaalsContact CB-CD1 3.48Å; P202-Y241 HydrophobicContact CB-CD2 3.38Å; P202-Y241 HydrophobicContact CB-CE1 3.82Å; P202-Y241 HydrophobicContact CB-CE2 3.72Å; P202-Y241 HydrophobicContact CB-CG 3.24Å; P202-Y241 HydrophobicContact CG-CD2 4.28Å; P202-Y241 HydrophobicContact CG-CG 4.23Å; P202-A250 HydrophobicContact CG-CB 4.29Å; P202-P251 WeakPolarHBondContact CG-O 3.37Å; P202-S254 VanDerWaalsContact CD-O 3.22Å; P202-S254 WeakPolarHBondContact CD-O 3.03Å; P202-V256 HydrophobicContact CG-CG1 3.9Å; P202-V256 HydrophobicContact CG-CG2 4.1Å; P202-Y258 VanDerWaalsContact CA-OH 3.24Å; P202-Y258 WeakPolarHBondContact CA-OH 3.34Å
203	G	93.2	Very high	80.6	Confident	47 Å²	47	59.6 Å²	59.6	49%	0.485	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-5.9	-174.2	0	0	0	0	0	116.2	L201 Y258	L201-G203 PolarHBondContact O-N 2.88Å; G203-Y258 PolarHBondContact N-OH 2.89Å
204	Q	94.4	Very high	77.7	Confident	97 Å²	97	69 Å²	69	45%	0.453	38%	0.383	S	S	.	.			trans	-106.9	5.5	-175.1	-58.9	-178.7	3.9	0	0	114.5	A200 L201 P202 L207	A200-Q204 HydrophobicContact CB-CB 4.26Å; L201-Q204 HydrophobicContact CB-CG 4.35Å; L201-Q204 WeakPolarHBondContact O-CB 3.21Å; L201-Q204 PolarHBondContact O-N 2.87Å; P202-Q204 VanDerWaalsContact C-N 3.26Å; P202-Q204 PolarHBondContact O-N 3Å; Q204-L207 HydrophobicContact CB-CD1 4.28Å
205	G	91.3	Very high	74.5	Confident	13 Å²	13	77.2 Å²	77.2	13%	0.134	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	137.7	-179.3	0	0	0	0	0	112.9	L207	G205-L207 PolarHBondContact O-N 3.18Å
206	G	86.5	Confident	71.2	Confident	34 Å²	34	86.1 Å²	86.1	35%	0.351	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.9	173.4	0	0	0	0	0	114.6	E198 Y264	E198-G206 PolarHBondContact OE1-N 2.95Å; G206-Y264 VanDerWaalsContact N-CD1 3.34Å
207	L	82.9	Confident	67.9	Low	107 Å²	107	93.3 Å²	93.3	56%	0.56	49%	0.493	S	S	*	.			trans	-75	141.3	173.3	-65.6	177.9	0	0	0	110.4	Q204 G205 K209	Q204-L207 HydrophobicContact CB-CD1 4.28Å; G205-L207 PolarHBondContact O-N 3.18Å; L207-K209 PolarHBondContact O-N 3.3Å
208	P	68.3	Low	64.6	Low	114 Å²	114	99 Å²	99	74%	0.74	53%	0.53	S	S	*	.			trans	-55.8	128.1	170.7	-20.4	31	0	0	0	109.8	E210	P208-E210 PolarHBondContact O-N 3.24Å; P208-E210 VanDerWaalsContact O-N 3.09Å
209	K	58.2	Low	61.2	Low	106 Å²	106	104.9 Å²	104.9	46%	0.461	56%	0.557	S	S	.	*			trans	-72.5	104.8	173.4	-64	-177.3	-178.3	-175.5	0	107.2	P123 G124 L207 E211	P123-K209 PolarHBondContact O-NZ 3.17Å; G124-K209 VanDerWaalsContact C-NZ 3.27Å; G124-K209 WeakPolarHBondContact O-CD 3.44Å; G124-K209 WeakPolarHBondContact O-CE 3.29Å; G124-K209 PolarHBondContact O-NZ 3.25Å; L207-K209 PolarHBondContact O-N 3.3Å; K209-E211 VanDerWaalsContact C-N 3.32Å; K209-E211 PolarHBondContact O-N 2.9Å
210	E	39.6	Very low	57.9	Low	184 Å²	184	108.5 Å²	108.5	86%	0.86	60%	0.596	S	S	*	*			trans	-58.3	97.8	166.8	-76	-80.1	137.2	0	0	107.7	P208 G212	P208-E210 PolarHBondContact O-N 3.24Å; P208-E210 VanDerWaalsContact O-N 3.09Å; E210-G212 PolarHBondContact O-N 3.38Å
211	E	37.3	Very low	54.6	Low	177 Å²	177	112.7 Å²	112.7	83%	0.827	63%	0.63	S	S	*	*			trans	-65.4	116.9	169.1	-69.2	-174.8	156.8	0	0	107.2	K209 K213	K209-E211 VanDerWaalsContact C-N 3.32Å; K209-E211 PolarHBondContact O-N 2.9Å; E211-K213 PolarHBondContact O-N 3.49Å
212	G	39.3	Very low	51.3	Low	83 Å²	83	119.2 Å²	119.2	86%	0.856	66%	0.66	S	S	*	*			trans	-50.2	100.9	-175.5	0	0	0	0	0	112.8	E210	E210-G212 PolarHBondContact O-N 3.38Å
213	K	28.7	Very low	48	Very low	178 Å²	178	124.5 Å²	124.5	77%	0.774	69%	0.692	S	S	*	*			trans	-87.1	113.3	155.2	-81.5	-177.1	176.7	178	0	107.3	E211 Q215	E211-K213 PolarHBondContact O-N 3.49Å; K213-Q215 PolarHBondContact O-N 3.38Å; K213-Q215 VanDerWaalsContact O-N 3.17Å
214	Q	35.3	Very low	44.9	Very low	198 Å²	198	129.1 Å²	129.1	93%	0.925	71%	0.711	S	S	*	*			trans	-51.8	118.4	154.1	-72	171.7	-2.2	0	0	107.2
215	Q	30.4	Very low	41.9	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	73%	0.73	S	S	*	*			trans	-129.2	126.3	163.9	-95.4	-178.5	-8.9	0	0	109.2	K213	K213-Q215 PolarHBondContact O-N 3.38Å; K213-Q215 VanDerWaalsContact O-N 3.17Å
216	E	27.2	Very low	38.9	Very low	187 Å²	187	133.5 Å²	133.5	87%	0.874	76%	0.763	S	S	*	*			trans	-59.7	150	-176	-64.7	163.5	136.3	0	0	111.5	P218	E216-P218 WeakPolarHBondContact O-CD 3.27Å
217	K	28	Very low	36.4	Very low	162 Å²	162	138.4 Å²	138.4	70%	0.704	79%	0.786	S	S	*	*			trans	-52.8	139.3	168.2	-162.2	-168.8	-174.4	-159.5	0	110.2	E219	K217-E219 HydrophobicContact CD-CG 4.43Å; K217-E219 IonicContact NZ-OE1 3.65Å; K217-E219 PolarHBondContact NZ-OE1 3.27Å
218	P	28.9	Very low	33.9	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	80%	0.798	S	S	*	*			trans	-119.5	133.3	141.5	22.7	-6	0	0	0	110.7	E216	E216-P218 WeakPolarHBondContact O-CD 3.27Å
219	E	26.2	Very low	32.2	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	80%	0.803	S	S	*	*			trans	-72.8	149.9	164.1	-73.2	166.9	170.7	0	0	110.3	K217	K217-E219 HydrophobicContact CD-CG 4.43Å; K217-E219 IonicContact NZ-OE1 3.65Å; K217-E219 PolarHBondContact NZ-OE1 3.27Å
220	G	29.4	Very low	31.3	Very low	81 Å²	81	140.8 Å²	140.8	84%	0.835	82%	0.823	S	S	*	*			trans	155.2	90.3	167.2	0	0	0	0	0	113.1
221	A	27.6	Very low	31.2	Very low	96 Å²	96	137.5 Å²	137.5	79%	0.793	82%	0.82	S	S	*	*			trans	-81.6	141.3	167	0	0	0	0	0	110.6
222	E	28.2	Very low	31.5	Very low	177 Å²	177	137.8 Å²	137.8	83%	0.827	83%	0.827	S	S	*	*				179.6	126.6	116.8	-100.6	-177.6	168.2	0	0	114.5
223	T	27.9	Very low	31.6	Very low	116 Å²	116	139.2 Å²	139.2	71%	0.712	82%	0.823	S	S	*	*			trans	50.7	122.7	144.3	56	0	0	0	0	123.2
224	T	28.1	Very low	32.3	Very low	145 Å²	145	137.5 Å²	137.5	89%	0.89	82%	0.822	S	S	*	*				-175.6	139.8	94.7	32.4	0	0	0	0	110.3
225	A	31	Very low	32.9	Very low	103 Å²	103	133.1 Å²	133.1	85%	0.851	81%	0.811	S	S	*	*			trans	-100.9	143.6	177.9	0	0	0	0	0	110.9
226	A	29	Very low	33.8	Very low	99 Å²	99	129.7 Å²	129.7	82%	0.818	81%	0.807	S	S	*	*			trans	-162.6	118.2	142.4	0	0	0	0	0	111.5
227	T	32.8	Very low	35	Very low	136 Å²	136	130 Å²	130	83%	0.834	81%	0.805	S	S	*	*			trans	-49	141.5	167.4	36.6	0	0	0	0	115.7
228	T	29.8	Very low	36.9	Very low	134 Å²	134	131 Å²	131	82%	0.822	81%	0.812	S	S	*	*			trans	-147.8	125.2	131.5	70.6	0	0	0	0	112.1
229	N	33.5	Very low	39.4	Very low	159 Å²	159	129.8 Å²	129.8	85%	0.85	80%	0.802	S	S	*	*			trans	37.3	103.2	148	-63	-9.7	0	0	0	121.7
230	G	39.1	Very low	42.4	Very low	84 Å²	84	128.5 Å²	128.5	87%	0.866	80%	0.796	S	S	*	*				43.5	91.6	108.5	0	0	0	0	0	118.2
231	S	37.3	Very low	45.6	Very low	116 Å²	116	127.5 Å²	127.5	81%	0.811	77%	0.768	S	S	*	*			trans	-127.4	117.2	147	-132.9	0	0	0	0	107.1	S233	S231-S233 PolarHBondContact O-N 3.45Å
232	L	44.4	Very low	48.9	Very low	183 Å²	183	125.7 Å²	125.7	96%	0.958	75%	0.747	S	S	*	*			trans	-62.7	97.5	172.2	-72.7	161.6	0	0	0	107.4	D234	L232-D234 PolarHBondContact O-N 2.81Å
233	S	41.4	Very low	52.2	Low	112 Å²	112	117.3 Å²	117.3	78%	0.783	71%	0.708	S	S	*	*			trans	-72.9	116.6	167.8	52.4	0	0	0	0	108.4	S231	S231-S233 PolarHBondContact O-N 3.45Å
234	D	43.1	Very low	55.5	Low	142 Å²	142	114.8 Å²	114.8	76%	0.759	69%	0.688	S	S	*	*			trans	-21	135.3	165.9	-143.9	3.5	0	0	0	113.9	L232 S236	L232-D234 PolarHBondContact O-N 2.81Å; D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.07Å
235	P	47.9	Very low	58.8	Low	107 Å²	107	112.4 Å²	112.4	70%	0.695	67%	0.669	S	S	*	*			trans	-62.7	119.1	178.4	2.2	11.8	0	0	0	108.5	K237	P235-K237 PolarHBondContact O-N 2.97Å
236	S	49.7	Very low	62	Low	100 Å²	100	110.7 Å²	110.7	70%	0.699	65%	0.65	S	S	*	*			trans	2.9	95.6	153.8	50.3	0	0	0	0	114.1	D234 E238	D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 VanDerWaalsContact O-N 3.07Å; S236-E238 VanDerWaalsContact C-N 3.3Å; S236-E238 PolarHBondContact O-N 3.32Å
237	K	51.7	Low	65.3	Low	194 Å²	194	112 Å²	112	84%	0.843	64%	0.637	S	S	*	*			trans	-58.4	104.8	154.5	-83.2	-177.1	178	177.5	0	105.8	P235 V239	P235-K237 PolarHBondContact O-N 2.97Å; K237-V239 PolarHBondContact O-N 3.41Å
238	E	68.8	Low	68.4	Low	181 Å²	181	106.8 Å²	106.8	85%	0.846	61%	0.611	S	S	*	*			trans	-54.5	110.9	167.9	-73.3	-174.1	159	0	0	106.5	S236 E240	S236-E238 VanDerWaalsContact C-N 3.3Å; S236-E238 PolarHBondContact O-N 3.32Å; E238-E240 PolarHBondContact O-N 2.98Å
239	V	79.6	Confident	71.5	Confident	98 Å²	98	104.2 Å²	104.2	59%	0.594	60%	0.595	S	S	*	*			trans	-70.6	103.3	177.8	177.6	0	0	0	0	106.1	K237 Y241	K237-V239 PolarHBondContact O-N 3.41Å; V239-Y241 HydrophobicContact CG1-CD1 4.34Å; V239-Y241 HydrophobicContact CG1-CE1 3.92Å; V239-Y241 WeakPolarHBondContact O-CD2 3.41Å; V239-Y241 PolarHBondContact O-N 2.95Å
240	E	90.4	Very high	74.5	Confident	136 Å²	136	96.7 Å²	96.7	64%	0.636	56%	0.555	S	S	*	*			trans	-72.8	116	176.8	-169.3	175.9	-160.5	0	0	109.3	E238 V242 V249	E238-E240 PolarHBondContact O-N 2.98Å; E240-V242 HydrophobicContact CG-CG2 4.21Å; E240-V249 HydrophobicContact CG-CG1 4.34Å; E240-V249 HydrophobicContact CG-CG2 4.24Å; E240-V249 WeakPolarHBondContact OE1-CG2 3.43Å
241	Y	95.5	Very high	77.2	Confident	59 Å²	59	95.4 Å²	95.4	23%	0.231	53%	0.531	C	S	.	.			trans	-87	118.5	178.4	-67.1	-66.1	0	0	0	109	P202 V239 V249 A250 P252 Q267	P202-Y241 HydrophobicContact CB-CD1 3.48Å; P202-Y241 VanDerWaalsContact CB-CD1 3.48Å; P202-Y241 HydrophobicContact CB-CD2 3.38Å; P202-Y241 HydrophobicContact CB-CE1 3.82Å; P202-Y241 HydrophobicContact CB-CE2 3.72Å; P202-Y241 HydrophobicContact CB-CG 3.24Å; P202-Y241 HydrophobicContact CG-CD2 4.28Å; P202-Y241 HydrophobicContact CG-CG 4.23Å; V239-Y241 HydrophobicContact CG1-CD1 4.34Å; V239-Y241 HydrophobicContact CG1-CE1 3.92Å; V239-Y241 WeakPolarHBondContact O-CD2 3.41Å; V239-Y241 PolarHBondContact O-N 2.95Å; Y241-V249 CarbonylContact O-C 3.52Å; Y241-V249 WeakPolarHBondContact O-CA 3.47Å; Y241-A250 WeakPolarHBondContact CB-O 3.24Å; Y241-A250 PolarHBondContact O-N 2.94Å; Y241-P252 HydrophobicContact CD2-CB 4.48Å; Y241-P252 HydrophobicContact CD2-CG 4.21Å; Y241-P252 HydrophobicContact CE2-CB 4.35Å; Y241-P252 HydrophobicContact CE2-CG 4.35Å; Y241-Q267 VanDerWaalsContact C-NE2 3.28Å; Y241-Q267 VanDerWaalsContact CA-NE2 3.3Å
242	V	97.3	Very high	80	Confident	59 Å²	59	94 Å²	94	36%	0.358	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-114.2	139.6	-176.4	-177.9	0	0	0	0	110.9	E240 K247 Q267	E240-V242 HydrophobicContact CG-CG2 4.21Å; V242-K247 WeakPolarHBondContact CG1-O 3.43Å; V242-Q267 VanDerWaalsContact O-CG 3.24Å; V242-Q267 WeakPolarHBondContact O-CG 3.41Å; V242-Q267 PolarHBondContact O-NE2 2.9Å; V242-Q267 VanDerWaalsContact O-NE2 3.12Å
243	C	98.2	Very high	82.4	Confident	1 Å²	1	90.6 Å²	90.6	1%	0.007	50%	0.502	C	S	.	.			trans	-75.2	132	172.3	173.2	0	0	0	0	111.2	L245 C246 K247 G248 Q267 H269	C243-L245 VanDerWaalsContact C-N 3.31Å; C243-L245 PolarHBondContact O-N 3.04Å; C243-L245 PolarHBondContact SG-N 3.09Å; C243-L245 VanDerWaalsContact SG-N 3.44Å; C243-C246 VanDerWaalsContact CB-SG 3.59Å; C243-K247 WeakPolarHBondContact O-CA 3.34Å; C243-K247 PolarHBondContact O-N 3.09Å; C243-G248 PolarHBondContact N-O 2.84Å; C243-Q267 CarbonylContact C-O 3.57Å; C243-Q267 WeakPolarHBondContact CA-O 3.25Å; C243-H269 VanDerWaalsContact CB-CE1 3.42Å; C243-H269 WeakPolarHBondContact CB-CE1 3.25Å; C243-H269 WeakPolarHBondContact CB-ND1 3.37Å
244	E	97.8	Very high	85	Confident	63 Å²	63	86.3 Å²	86.3	29%	0.294	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.2	-178.3	-178.2	60	-129.9	0	0	113.2	K247 K266 Q267 W268	E244-K247 WeakPolarHBondContact O-CE 3.37Å; E244-K247 PolarHBondContact O-NZ 3.33Å; E244-K247 IonicContact OE1-NZ 3.29Å; E244-K247 PolarHBondContact OE1-NZ 3.19Å; E244-K266 HydrophobicContact CG-CD 4.27Å; E244-Q267 PolarHBondContact N-O 3.16Å; E244-W268 HydrophobicContact CB-CD2 4.2Å; E244-W268 HydrophobicContact CB-CZ2 3.82Å; E244-W268 HydrophobicContact CG-CZ2 3.7Å
245	L	97.5	Very high	87.6	Confident	95 Å²	95	79.7 Å²	79.7	50%	0.497	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-61.2	-178.9	-177.6	65.3	0	0	0	112.9	C243 K247 C272 V274	C243-L245 VanDerWaalsContact C-N 3.31Å; C243-L245 PolarHBondContact O-N 3.04Å; C243-L245 PolarHBondContact SG-N 3.09Å; C243-L245 VanDerWaalsContact SG-N 3.44Å; L245-K247 VanDerWaalsContact C-N 3.32Å; L245-C272 HydrophobicContact CB-CB 4.03Å; L245-C272 HydrophobicContact CD2-CB 4.01Å; L245-C272 WeakPolarHBondContact CD2-O 3.43Å; L245-V274 HydrophobicContact CD2-CG2 3.66Å
246	C	97.8	Very high	90	Very high	66 Å²	66	74.6 Å²	74.6	45%	0.446	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.3	-173.3	71.2	0	0	0	0	113.3	C243 G248 H269	C243-C246 VanDerWaalsContact CB-SG 3.59Å; C246-G248 PolarHBondContact O-N 2.9Å; C246-G248 VanDerWaalsContact O-N 3.07Å; C246-G248 PolarHBondContact SG-N 3.39Å; C246-H269 VanDerWaalsContact SG-CE1 3.55Å; C246-H269 PolarHBondContact SG-ND1 3.33Å; C246-H269 VanDerWaalsContact SG-ND1 3.37Å
247	K	97.4	Very high	92.3	Very high	126 Å²	126	69.9 Å²	69.9	55%	0.548	37%	0.371	S	S	.	.			trans	59.8	10.9	-174.5	-49.3	-53.7	-172.5	-173.9	0	114.5	V242 C243 E244 L245	V242-K247 WeakPolarHBondContact CG1-O 3.43Å; C243-K247 WeakPolarHBondContact O-CA 3.34Å; C243-K247 PolarHBondContact O-N 3.09Å; E244-K247 WeakPolarHBondContact O-CE 3.37Å; E244-K247 PolarHBondContact O-NZ 3.33Å; E244-K247 IonicContact OE1-NZ 3.29Å; E244-K247 PolarHBondContact OE1-NZ 3.19Å; L245-K247 VanDerWaalsContact C-N 3.32Å
248	G	97.4	Very high	94.5	Very high	28 Å²	28	60.8 Å²	60.8	29%	0.289	33%	0.331	S	S	.	.			trans	-81	160.2	172.9	0	0	0	0	0	112.6	C243 C246	C243-G248 PolarHBondContact N-O 2.84Å; C246-G248 PolarHBondContact O-N 2.9Å; C246-G248 VanDerWaalsContact O-N 3.07Å; C246-G248 PolarHBondContact SG-N 3.39Å
249	V	96.6	Very high	95.8	Very high	80 Å²	80	52.2 Å²	52.2	49%	0.485	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-68	139.2	179.3	-175	0	0	0	0	111	E240 Y241 H269	E240-V249 HydrophobicContact CG-CG1 4.34Å; E240-V249 HydrophobicContact CG-CG2 4.24Å; E240-V249 WeakPolarHBondContact OE1-CG2 3.43Å; Y241-V249 CarbonylContact O-C 3.52Å; Y241-V249 WeakPolarHBondContact O-CA 3.47Å; V249-H269 PolarHBondContact O-CE1 3.12Å; V249-H269 PolarHBondContact O-NE2 2.72Å
250	A	96	Very high	96.5	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.27	C	S	.	.			trans	-101.4	113.9	168.2	0	0	0	0	0	108.6	P202 Y241 V256	P202-A250 HydrophobicContact CG-CB 4.29Å; Y241-A250 WeakPolarHBondContact CB-O 3.24Å; Y241-A250 PolarHBondContact O-N 2.94Å; A250-V256 HydrophobicContact CB-CG1 3.64Å
251	P	95.4	Very high	96.7	Very high	57 Å²	57	45.9 Å²	45.9	37%	0.37	25%	0.253	S	S	.	.			trans	-58.4	138.8	178.3	-22.7	32	0	0	0	111.4	P202 D253 S254	P202-P251 WeakPolarHBondContact CG-O 3.37Å; P251-D253 WeakPolarHBondContact CB-OD1 3.42Å; P251-D253 PolarHBondContact O-N 2.99Å; P251-S254 WeakPolarHBondContact O-CB 3.41Å; P251-S254 PolarHBondContact O-N 3.14Å
252	P	95.1	Very high	96.7	Very high	86 Å²	86	43.9 Å²	43.9	56%	0.558	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.3	-177.3	-25.9	33.9	0	0	0	115.3	Y241	Y241-P252 HydrophobicContact CD2-CB 4.48Å; Y241-P252 HydrophobicContact CD2-CG 4.21Å; Y241-P252 HydrophobicContact CE2-CB 4.35Å; Y241-P252 HydrophobicContact CE2-CG 4.35Å
253	D	94.7	Very high	96.5	Very high	112 Å²	112	42.4 Å²	42.4	60%	0.599	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	4.6	-179.9	65.4	-27.3	0	0	0	113.6	P251	P251-D253 WeakPolarHBondContact CB-OD1 3.42Å; P251-D253 PolarHBondContact O-N 2.99Å
254	S	96.5	Very high	96.4	Very high	22 Å²	22	47.3 Å²	47.3	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-105.8	134	-179.7	-167.5	0	0	0	0	111	L136 P202 P251 V256	L136-S254 WeakPolarHBondContact CD1-OG 3.41Å; P202-S254 VanDerWaalsContact CD-O 3.22Å; P202-S254 WeakPolarHBondContact CD-O 3.03Å; P251-S254 WeakPolarHBondContact O-CB 3.41Å; P251-S254 PolarHBondContact O-N 3.14Å; S254-V256 PolarHBondContact O-N 2.79Å
255	P	98.1	Very high	96.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.013	29%	0.288	C	S	.	.			trans	-64	138.9	-177.6	20.4	-27.4	0	0	0	112.2	L129 Q132 L136 V199 P270	L129-P255 HydrophobicContact CD1-CB 3.84Å; L129-P255 HydrophobicContact CD1-CG 4.39Å; Q132-P255 HydrophobicContact CB-CG 3.91Å; L136-P255 HydrophobicContact CD1-CG 3.87Å; V199-P255 HydrophobicContact CG1-CB 3.98Å; P255-P270 VanDerWaalsContact O-CD 3.3Å; P255-P270 WeakPolarHBondContact O-CD 3.38Å
256	V	98.5	Very high	96	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	162	171.3	-65.7	0	0	0	0	110.3	V199 A200 P202 A250 S254 Y258 Q267 W268	V199-V256 WeakPolarHBondContact CA-O 3.3Å; A200-V256 PolarHBondContact N-O 3.24Å; A200-V256 WeakPolarHBondContact O-CG2 3.48Å; A200-V256 PolarHBondContact O-N 3.07Å; P202-V256 HydrophobicContact CG-CG1 3.9Å; P202-V256 HydrophobicContact CG-CG2 4.1Å; A250-V256 HydrophobicContact CB-CG1 3.64Å; S254-V256 PolarHBondContact O-N 2.79Å; V256-Y258 HydrophobicContact CG2-CD2 4.18Å; V256-Y258 HydrophobicContact CG2-CE2 3.46Å; V256-Y258 VanDerWaalsContact CG2-CE2 3.46Å; V256-Q267 HydrophobicContact CB-CB 4.22Å; V256-Q267 HydrophobicContact CG2-CB 4.17Å; V256-W268 CarbonylContact C-O 3.59Å; V256-W268 WeakPolarHBondContact CA-O 3.36Å; V256-W268 WeakPolarHBondContact CB-O 3.44Å
257	V	98.6	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.9	172.5	-173.6	0	0	0	0	108.7	Y133 E198 V199 Q267 W268 F273 L285	Y133-V257 HydrophobicContact CE2-CG2 4Å; E198-V257 CarbonylContact O-C 3.6Å; E198-V257 WeakPolarHBondContact O-CA 3.47Å; V199-V257 HydrophobicContact CG2-CG2 4.22Å; V257-Q267 CarbonylContact O-C 3.59Å; V257-Q267 WeakPolarHBondContact O-CA 3.49Å; V257-W268 PolarHBondContact N-O 3.44Å; V257-W268 PolarHBondContact O-N 2.79Å; V257-F273 HydrophobicContact CB-CB 4.16Å; V257-F273 HydrophobicContact CB-CD2 4.29Å; V257-F273 HydrophobicContact CB-CG 4.09Å; V257-F273 HydrophobicContact CG1-CB 4.27Å; V257-F273 HydrophobicContact CG1-CD1 3.73Å; V257-F273 HydrophobicContact CG1-CD2 3.92Å; V257-F273 HydrophobicContact CG1-CE1 3.95Å; V257-F273 HydrophobicContact CG1-CE2 4.15Å; V257-F273 HydrophobicContact CG1-CG 3.7Å; V257-F273 HydrophobicContact CG1-CZ 4.16Å; V257-F273 HydrophobicContact CG2-CB 4.17Å; V257-F273 HydrophobicContact CG2-CG 4.49Å; V257-L285 HydrophobicContact CG1-CD2 4.05Å; V257-L285 HydrophobicContact CG2-CD2 4.06Å
258	Y	98.1	Very high	96.1	Very high	4 Å²	4	40 Å²	40	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	154.6	169.4	-67.4	-86	0	0	0	111.2	G197 E198 A200 L201 P202 G203 V256 Y264 K266 Q267	G197-Y258 CarbonylContact C-O 3.43Å; G197-Y258 VanDerWaalsContact CA-O 3.27Å; G197-Y258 WeakPolarHBondContact CA-O 3.37Å; E198-Y258 PolarHBondContact N-O 3.07Å; E198-Y258 PolarHBondContact O-N 2.65Å; A200-Y258 HydrophobicContact CB-CD2 4.25Å; A200-Y258 HydrophobicContact CB-CE2 4.04Å; L201-Y258 PolarHBondContact O-OH 2.93Å; P202-Y258 VanDerWaalsContact CA-OH 3.24Å; P202-Y258 WeakPolarHBondContact CA-OH 3.34Å; G203-Y258 PolarHBondContact N-OH 2.89Å; V256-Y258 HydrophobicContact CG2-CD2 4.18Å; V256-Y258 HydrophobicContact CG2-CE2 3.46Å; V256-Y258 VanDerWaalsContact CG2-CE2 3.46Å; Y258-Y264 HydrophobicContact CD1-CD1 4.04Å; Y258-Y264 HydrophobicContact CG-CD1 4.02Å; Y258-K266 VanDerWaalsContact CD1-O 3.25Å; Y258-K266 WeakPolarHBondContact CD1-O 3.43Å; Y258-Q267 HydrophobicContact CD1-CB 4.14Å; Y258-Q267 HydrophobicContact CE1-CB 3.83Å; Y258-Q267 PolarHBondContact OH-OE1 2.96Å
259	S	96.3	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.			trans	-123	117.2	173.4	160.2	0	0	0	0	108.1	R261 A262 G263 Y287	S259-R261 PolarHBondContact O-N 2.65Å; S259-R261 PolarHBondContact OG-N 3.14Å; S259-A262 WeakPolarHBondContact O-CB 3.44Å; S259-A262 PolarHBondContact O-N 3.5Å; S259-A262 VanDerWaalsContact O-N 3.11Å; S259-A262 WeakPolarHBondContact OG-CB 3.32Å; S259-A262 PolarHBondContact OG-N 2.95Å; S259-A262 VanDerWaalsContact OG-N 3.14Å; S259-G263 CarbonylContact O-C 3.43Å; S259-G263 PolarHBondContact O-N 2.75Å; S259-Y287 WeakPolarHBondContact CB-OH 3.16Å; S259-Y287 WeakPolarHBondContact OG-CE2 3.4Å; S259-Y287 PolarHBondContact OG-OH 3.37Å
260	D	94	Very high	96.2	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-56.3	-37.1	174	69.8	-54.9	0	0	0	112.3	K77 Y78 A262 G263 Y287	K77-D260 WeakPolarHBondContact CE-OD2 3.36Å; K77-D260 IonicContact NZ-OD2 3.79Å; K77-D260 PolarHBondContact NZ-OD2 3.03Å; Y78-D260 PolarHBondContact OH-OD1 2.79Å; Y78-D260 PolarHBondContact OH-OD2 3.39Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 3.14Å; D260-G263 PolarHBondContact O-N 3.46Å; D260-Y287 PolarHBondContact N-OH 3.04Å; D260-Y287 PolarHBondContact OD1-OH 3.44Å
261	R	94.8	Very high	96.2	Very high	70 Å²	70	39.7 Å²	39.7	26%	0.264	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-69.4	-28.5	178.7	-64	-90.8	-175	-156.7	-3.1	112.7	S191 E192 A193 L194 S259 G263 Y287 W289	S191-R261 PolarHBondContact O-NH1 2.76Å; S191-R261 PolarHBondContact O-NH2 3.48Å; E192-R261 VanDerWaalsContact C-CZ 3.43Å; E192-R261 PolarHBondContact O-NH1 3.3Å; A193-R261 PolarHBondContact O-NE 3.02Å; L194-R261 PolarHBondContact O-NE 3.31Å; L194-R261 VanDerWaalsContact O-NE 3.14Å; L194-R261 PolarHBondContact O-NH2 3.41Å; S259-R261 PolarHBondContact O-N 2.65Å; S259-R261 PolarHBondContact OG-N 3.14Å; R261-G263 VanDerWaalsContact C-N 3.32Å; R261-Y287 HydrophobicContact CB-CE2 4.13Å; R261-Y287 WeakPolarHBondContact CB-OH 3.43Å; R261-Y287 HydrophobicContact CG-CE2 4.09Å; R261-Y287 WeakPolarHBondContact CG-OH 3.45Å; R261-Y287 PolarHBondContact N-OH 3.05Å; R261-W289 HydrophobicContact CB-CB 3.6Å; R261-W289 HydrophobicContact CB-CD2 3.76Å; R261-W289 HydrophobicContact CB-CE3 4.17Å; R261-W289 HydrophobicContact CB-CG 3.51Å; R261-W289 HydrophobicContact CG-CB 3.8Å; R261-W289 HydrophobicContact CG-CG 4.26Å
262	A	94.8	Very high	96.4	Very high	18 Å²	18	37.8 Å²	37.8	15%	0.149	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-82.3	-14	175.2	0	0	0	0	0	113.3	S259 D260 K266 W268 W289	S259-A262 WeakPolarHBondContact O-CB 3.44Å; S259-A262 PolarHBondContact O-N 3.5Å; S259-A262 VanDerWaalsContact O-N 3.11Å; S259-A262 WeakPolarHBondContact OG-CB 3.32Å; S259-A262 PolarHBondContact OG-N 2.95Å; S259-A262 VanDerWaalsContact OG-N 3.14Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 3.14Å; A262-K266 HydrophobicContact CB-CB 4.16Å; A262-K266 HydrophobicContact CB-CD 4.08Å; A262-W268 HydrophobicContact CB-CH2 3.55Å; A262-W268 HydrophobicContact CB-CZ3 4.18Å; A262-W289 HydrophobicContact CB-CE3 4.45Å; A262-W289 HydrophobicContact CB-CH2 3.25Å; A262-W289 HydrophobicContact CB-CZ2 3.82Å; A262-W289 HydrophobicContact CB-CZ3 3.62Å
263	G	93.8	Very high	96.5	Very high	28 Å²	28	33.8 Å²	33.8	29%	0.289	19%	0.186	S	C	.	.			trans	78.7	157.1	-162.3	0	0	0	0	0	112.1	S259 D260 R261 S265 K266	S259-G263 CarbonylContact O-C 3.43Å; S259-G263 PolarHBondContact O-N 2.75Å; D260-G263 PolarHBondContact O-N 3.46Å; R261-G263 VanDerWaalsContact C-N 3.32Å; G263-S265 PolarHBondContact O-N 3.44Å; G263-K266 PolarHBondContact O-N 3.07Å
264	Y	94.8	Very high	96.7	Very high	104 Å²	104	29.3 Å²	29.3	41%	0.408	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	10.1	-179.1	-65.3	-77.7	0	0	0	114.1	E198 G206 Y258	E198-Y264 PolarHBondContact OE2-OH 3.46Å; G206-Y264 VanDerWaalsContact N-CD1 3.34Å; Y258-Y264 HydrophobicContact CD1-CD1 4.04Å; Y258-Y264 HydrophobicContact CG-CD1 4.02Å
265	S	91.8	Very high	96.8	Very high	111 Å²	111	28.3 Å²	28.3	78%	0.776	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-10.1	168.6	57.2	0	0	0	0	113.1	G263	G263-S265 PolarHBondContact O-N 3.44Å
266	K	95.6	Very high	96.8	Very high	63 Å²	63	30.8 Å²	30.8	27%	0.274	18%	0.176	S	C	.	.			trans	-113.9	141.4	178.6	-66.8	-176.2	171.6	-172.2	0	110.7	E244 Y258 A262 G263 W268	E244-K266 HydrophobicContact CG-CD 4.27Å; Y258-K266 VanDerWaalsContact CD1-O 3.25Å; Y258-K266 WeakPolarHBondContact CD1-O 3.43Å; A262-K266 HydrophobicContact CB-CB 4.16Å; A262-K266 HydrophobicContact CB-CD 4.08Å; G263-K266 PolarHBondContact O-N 3.07Å; K266-W268 HydrophobicContact CB-CH2 3.67Å; K266-W268 HydrophobicContact CB-CZ2 4.45Å; K266-W268 HydrophobicContact CB-CZ3 3.92Å; K266-W268 HydrophobicContact CD-CH2 4.42Å
267	Q	97.8	Very high	96.8	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.2	-176.8	66.8	-163.6	-6.9	0	0	111.1	Y241 V242 C243 E244 V256 V257 Y258	Y241-Q267 VanDerWaalsContact C-NE2 3.28Å; Y241-Q267 VanDerWaalsContact CA-NE2 3.3Å; V242-Q267 VanDerWaalsContact O-CG 3.24Å; V242-Q267 WeakPolarHBondContact O-CG 3.41Å; V242-Q267 PolarHBondContact O-NE2 2.9Å; V242-Q267 VanDerWaalsContact O-NE2 3.12Å; C243-Q267 CarbonylContact C-O 3.57Å; C243-Q267 WeakPolarHBondContact CA-O 3.25Å; E244-Q267 PolarHBondContact N-O 3.16Å; V256-Q267 HydrophobicContact CB-CB 4.22Å; V256-Q267 HydrophobicContact CG2-CB 4.17Å; V257-Q267 CarbonylContact O-C 3.59Å; V257-Q267 WeakPolarHBondContact O-CA 3.49Å; Y258-Q267 HydrophobicContact CD1-CB 4.14Å; Y258-Q267 HydrophobicContact CE1-CB 3.83Å; Y258-Q267 PolarHBondContact OH-OE1 2.96Å
268	W	98.6	Very high	96.8	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.5	179.6	-64.8	-103.9	0	0	0	110.2	E244 V256 V257 A262 K266 C272 F273 W289	E244-W268 HydrophobicContact CB-CD2 4.2Å; E244-W268 HydrophobicContact CB-CZ2 3.82Å; E244-W268 HydrophobicContact CG-CZ2 3.7Å; V256-W268 CarbonylContact C-O 3.59Å; V256-W268 WeakPolarHBondContact CA-O 3.36Å; V256-W268 WeakPolarHBondContact CB-O 3.44Å; V257-W268 PolarHBondContact N-O 3.44Å; V257-W268 PolarHBondContact O-N 2.79Å; A262-W268 HydrophobicContact CB-CH2 3.55Å; A262-W268 HydrophobicContact CB-CZ3 4.18Å; K266-W268 HydrophobicContact CB-CH2 3.67Å; K266-W268 HydrophobicContact CB-CZ2 4.45Å; K266-W268 HydrophobicContact CB-CZ3 3.92Å; K266-W268 HydrophobicContact CD-CH2 4.42Å; W268-C272 HydrophobicContact CB-CB 4.34Å; W268-F273 HydrophobicContact CB-CB 4.02Å; W268-F273 HydrophobicContact CB-CD2 3.94Å; W268-F273 HydrophobicContact CB-CG 4.47Å; W268-F273 AromaticContact CD2-CD2 3.68Å; W268-F273 HydrophobicContact CD2-CD2 3.68Å; W268-F273 HydrophobicContact CD2-CE2 4.05Å; W268-F273 AromaticContact CE3-CD2 3.87Å; W268-F273 HydrophobicContact CE3-CD2 3.87Å; W268-F273 AromaticContact CE3-CE2 3.9Å; W268-F273 HydrophobicContact CE3-CE2 3.9Å; W268-F273 HydrophobicContact CG-CB 4.49Å; W268-F273 AromaticContact CG-CD2 3.71Å; W268-F273 HydrophobicContact CG-CD2 3.71Å; W268-F273 HydrophobicContact CZ3-CE2 4.3Å; W268-W289 HydrophobicContact CH2-CZ3 4.4Å
269	H	98.4	Very high	96.8	Very high	37 Å²	37	42 Å²	42	17%	0.171	24%	0.241	C	C	.	.			trans	-59.3	152.3	160.4	-58.4	118.4	0	0	0	109.5	C243 C246 V249 T271 C272 F273	C243-H269 VanDerWaalsContact CB-CE1 3.42Å; C243-H269 WeakPolarHBondContact CB-CE1 3.25Å; C243-H269 WeakPolarHBondContact CB-ND1 3.37Å; C246-H269 VanDerWaalsContact SG-CE1 3.55Å; C246-H269 PolarHBondContact SG-ND1 3.33Å; C246-H269 VanDerWaalsContact SG-ND1 3.37Å; V249-H269 PolarHBondContact O-CE1 3.12Å; V249-H269 PolarHBondContact O-NE2 2.72Å; H269-T271 PolarHBondContact O-N 2.97Å; H269-T271 VanDerWaalsContact O-N 3.12Å; H269-C272 HydrophobicContact CB-CB 4.03Å; H269-C272 WeakPolarHBondContact O-CA 3.34Å; H269-C272 WeakPolarHBondContact O-CB 3.37Å; H269-C272 PolarHBondContact O-N 3.35Å; H269-F273 PolarHBondContact O-N 3.06Å
270	P	98	Very high	96.8	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-37.9	177.8	-34.9	41.5	0	0	0	114.6	Y133 L136 I137 P255	Y133-P270 HydrophobicContact CD2-CB 3.88Å; Y133-P270 HydrophobicContact CD2-CG 3.61Å; Y133-P270 HydrophobicContact CE2-CB 3.48Å; Y133-P270 VanDerWaalsContact CE2-CB 3.48Å; Y133-P270 HydrophobicContact CE2-CG 3.65Å; Y133-P270 HydrophobicContact CG-CG 4.48Å; L136-P270 HydrophobicContact CB-CB 4.3Å; L136-P270 HydrophobicContact CB-CG 4.18Å; L136-P270 HydrophobicContact CD1-CG 3.8Å; I137-P270 HydrophobicContact CD1-CB 3.72Å; P255-P270 VanDerWaalsContact O-CD 3.3Å; P255-P270 WeakPolarHBondContact O-CD 3.38Å
271	T	97.3	Very high	97	Very high	62 Å²	62	45.1 Å²	45.1	38%	0.38	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.4	178.1	53.9	0	0	0	0	114.1	L136 I137 H269 V274	L136-T271 WeakPolarHBondContact O-CG2 3.3Å; I137-T271 HydrophobicContact CD1-CG2 4.35Å; H269-T271 PolarHBondContact O-N 2.97Å; H269-T271 VanDerWaalsContact O-N 3.12Å; T271-V274 VanDerWaalsContact O-CG1 3.28Å; T271-V274 WeakPolarHBondContact O-CG1 3.46Å
272	C	98.4	Very high	97.2	Very high	18 Å²	18	42.2 Å²	42.2	12%	0.122	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.6	-179.7	-73.7	0	0	0	0	112.9	L245 W268 H269 V274	L245-C272 HydrophobicContact CB-CB 4.03Å; L245-C272 HydrophobicContact CD2-CB 4.01Å; L245-C272 WeakPolarHBondContact CD2-O 3.43Å; W268-C272 HydrophobicContact CB-CB 4.34Å; H269-C272 HydrophobicContact CB-CB 4.03Å; H269-C272 WeakPolarHBondContact O-CA 3.34Å; H269-C272 WeakPolarHBondContact O-CB 3.37Å; H269-C272 PolarHBondContact O-N 3.35Å; C272-V274 PolarHBondContact O-N 3.05Å
273	F	98.5	Very high	97.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	24%	0.243	C	C	.	.			trans	-81.6	74	175.3	-160.1	-112.9	0	0	0	110.8	V257 W268 H269 L282 L285 Y287 P294	V257-F273 HydrophobicContact CB-CB 4.16Å; V257-F273 HydrophobicContact CB-CD2 4.29Å; V257-F273 HydrophobicContact CB-CG 4.09Å; V257-F273 HydrophobicContact CG1-CB 4.27Å; V257-F273 HydrophobicContact CG1-CD1 3.73Å; V257-F273 HydrophobicContact CG1-CD2 3.92Å; V257-F273 HydrophobicContact CG1-CE1 3.95Å; V257-F273 HydrophobicContact CG1-CE2 4.15Å; V257-F273 HydrophobicContact CG1-CG 3.7Å; V257-F273 HydrophobicContact CG1-CZ 4.16Å; V257-F273 HydrophobicContact CG2-CB 4.17Å; V257-F273 HydrophobicContact CG2-CG 4.49Å; W268-F273 HydrophobicContact CB-CB 4.02Å; W268-F273 HydrophobicContact CB-CD2 3.94Å; W268-F273 HydrophobicContact CB-CG 4.47Å; W268-F273 AromaticContact CD2-CD2 3.68Å; W268-F273 HydrophobicContact CD2-CD2 3.68Å; W268-F273 HydrophobicContact CD2-CE2 4.05Å; W268-F273 AromaticContact CE3-CD2 3.87Å; W268-F273 HydrophobicContact CE3-CD2 3.87Å; W268-F273 AromaticContact CE3-CE2 3.9Å; W268-F273 HydrophobicContact CE3-CE2 3.9Å; W268-F273 HydrophobicContact CG-CB 4.49Å; W268-F273 AromaticContact CG-CD2 3.71Å; W268-F273 HydrophobicContact CG-CD2 3.71Å; W268-F273 HydrophobicContact CZ3-CE2 4.3Å; H269-F273 PolarHBondContact O-N 3.06Å; F273-L282 HydrophobicContact CD1-CB 4.17Å; F273-L282 HydrophobicContact CD1-CD1 3.75Å; F273-L282 HydrophobicContact CD1-CG 4.5Å; F273-L282 HydrophobicContact CE1-CB 4.38Å; F273-L282 HydrophobicContact CE1-CD1 3.63Å; F273-L282 HydrophobicContact CG-CD1 4.34Å; F273-L282 HydrophobicContact CZ-CD1 4.1Å; F273-L282 PolarHBondContact O-N 3.23Å; F273-L282 VanDerWaalsContact O-N 3.11Å; F273-L285 HydrophobicContact CD1-CD2 3.93Å; F273-L285 HydrophobicContact CE1-CD2 4.48Å; F273-Y287 AromaticContact CE1-CD1 3.9Å; F273-Y287 HydrophobicContact CE1-CD1 3.9Å; F273-Y287 HydrophobicContact CE1-CG 4.2Å; F273-Y287 AromaticContact CZ-CD1 3.65Å; F273-Y287 HydrophobicContact CZ-CD1 3.65Å; F273-Y287 HydrophobicContact CZ-CD2 4.41Å; F273-Y287 HydrophobicContact CZ-CE1 4.03Å; F273-Y287 AromaticContact CZ-CG 3.87Å; F273-Y287 HydrophobicContact CZ-CG 3.87Å; F273-P294 HydrophobicContact CE2-CB 4.24Å; F273-P294 HydrophobicContact CE2-CG 4.3Å; F273-P294 HydrophobicContact CZ-CB 4.37Å
274	V	98.7	Very high	97.5	Very high	18 Å²	18	40.7 Å²	40.7	11%	0.109	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-117.6	160.4	-171.5	-56.2	0	0	0	0	112	L245 T271 C272 E280 P281	L245-V274 HydrophobicContact CD2-CG2 3.66Å; T271-V274 VanDerWaalsContact O-CG1 3.28Å; T271-V274 WeakPolarHBondContact O-CG1 3.46Å; C272-V274 PolarHBondContact O-N 3.05Å; V274-E280 CarbonylContact C-O 3.53Å; V274-E280 VanDerWaalsContact CA-O 3.29Å; V274-E280 WeakPolarHBondContact CA-O 3.35Å; V274-E280 WeakPolarHBondContact CB-O 3.18Å; V274-P281 HydrophobicContact CG1-CG 4.43Å
275	C	98.8	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.			trans	-67.8	131.9	173.1	172.8	0	0	0	0	111.6	K277 S279 E280 L282 C296	C275-K277 PolarHBondContact O-N 2.88Å; C275-K277 VanDerWaalsContact O-N 3.11Å; C275-K277 PolarHBondContact SG-N 2.83Å; C275-K277 VanDerWaalsContact SG-N 3.44Å; C275-S279 VanDerWaalsContact O-CA 3.29Å; C275-S279 WeakPolarHBondContact O-CA 3.48Å; C275-S279 PolarHBondContact O-N 2.77Å; C275-E280 PolarHBondContact N-O 2.94Å; C275-L282 HydrophobicContact CB-CD2 3.98Å; C275-C296 HydrophobicContact CB-CB 3.95Å; C275-C296 PolarHBondContact SG-N 3.29Å
276	A	98.3	Very high	97.9	Very high	54 Å²	54	30.7 Å²	30.7	45%	0.446	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.7	178.6	0	0	0	0	0	115.5	A293 P294 W295	A276-A293 HydrophobicContact CB-CB 4.01Å; A276-P294 PolarHBondContact N-O 2.67Å; A276-W295 HydrophobicContact CB-CD2 4.3Å; A276-W295 HydrophobicContact CB-CZ2 4.24Å
277	K	98.1	Very high	98.1	Very high	113 Å²	113	27.7 Å²	27.7	49%	0.491	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-44.8	-178.8	179.5	166.9	168.2	-167.6	0	113.7	C275 W295 H299 E302	C275-K277 PolarHBondContact O-N 2.88Å; C275-K277 VanDerWaalsContact O-N 3.11Å; C275-K277 PolarHBondContact SG-N 2.83Å; C275-K277 VanDerWaalsContact SG-N 3.44Å; K277-W295 HydrophobicContact CB-CE3 4.12Å; K277-W295 HydrophobicContact CB-CH2 4.37Å; K277-W295 HydrophobicContact CB-CZ3 3.74Å; K277-W295 HydrophobicContact CD-CZ3 4.13Å; K277-H299 HydrophobicContact CB-CB 3.99Å; K277-H299 HydrophobicContact CD-CB 3.95Å; K277-H299 WeakPolarHBondContact CD-CD2 3.28Å; K277-H299 HydrophobicContact CG-CB 4.39Å; K277-E302 IonicContact NZ-OE2 3.73Å; K277-E302 PolarHBondContact NZ-OE2 2.57Å
278	C	97.6	Very high	98.1	Very high	42 Å²	42	27.2 Å²	27.2	28%	0.284	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-4.6	-176.9	62.2	0	0	0	0	115.3	E280 H299	C278-E280 PolarHBondContact O-N 2.88Å; C278-H299 WeakPolarHBondContact CB-CE1 3.42Å; C278-H299 PolarHBondContact SG-CE1 2.77Å; C278-H299 PolarHBondContact SG-ND1 2.84Å; C278-H299 VanDerWaalsContact SG-ND1 3.43Å
279	S	97.9	Very high	98	Very high	87 Å²	87	29.3 Å²	29.3	61%	0.608	17%	0.168	S	C	*	.			trans	56.7	16.3	-177.6	-52.4	0	0	0	0	114.8	C275	C275-S279 VanDerWaalsContact O-CA 3.29Å; C275-S279 WeakPolarHBondContact O-CA 3.48Å; C275-S279 PolarHBondContact O-N 2.77Å
280	E	97.9	Very high	98	Very high	60 Å²	60	29.8 Å²	29.8	28%	0.28	17%	0.169	S	C	.	.			trans	-81.2	141.7	171.7	-71	-67.8	167.1	0	0	110.3	K141 Y152 V274 C275 C278 L282	K141-E280 IonicContact NZ-OE2 3.24Å; Y152-E280 PolarHBondContact OH-OE2 3.49Å; V274-E280 CarbonylContact C-O 3.53Å; V274-E280 VanDerWaalsContact CA-O 3.29Å; V274-E280 WeakPolarHBondContact CA-O 3.35Å; V274-E280 WeakPolarHBondContact CB-O 3.18Å; C275-E280 PolarHBondContact N-O 2.94Å; C278-E280 PolarHBondContact O-N 2.88Å; E280-L282 PolarHBondContact O-N 3.34Å
281	P	97.9	Very high	97.9	Very high	36 Å²	36	35.9 Å²	35.9	23%	0.234	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-52.8	135.3	172.1	-25.4	34.2	0	0	0	112	Y152 Q160 V274 V283	Y152-P281 WeakPolarHBondContact OH-CD 3.49Å; Q160-P281 PolarHBondContact NE2-O 3.17Å; V274-P281 HydrophobicContact CG1-CG 4.43Å; P281-V283 PolarHBondContact O-N 2.8Å
282	L	98.6	Very high	97.8	Very high	8 Å²	8	35 Å²	35	4%	0.042	21%	0.205	C	C	.	.			trans	-70.9	115.7	-179.3	-68.8	165.7	0	0	0	110.2	F273 C275 E280 D284 L285 Y287 P294 C296	F273-L282 HydrophobicContact CD1-CB 4.17Å; F273-L282 HydrophobicContact CD1-CD1 3.75Å; F273-L282 HydrophobicContact CD1-CG 4.5Å; F273-L282 HydrophobicContact CE1-CB 4.38Å; F273-L282 HydrophobicContact CE1-CD1 3.63Å; F273-L282 HydrophobicContact CG-CD1 4.34Å; F273-L282 HydrophobicContact CZ-CD1 4.1Å; F273-L282 PolarHBondContact O-N 3.23Å; F273-L282 VanDerWaalsContact O-N 3.11Å; C275-L282 HydrophobicContact CB-CD2 3.98Å; E280-L282 PolarHBondContact O-N 3.34Å; L282-D284 PolarHBondContact O-N 2.9Å; L282-L285 PolarHBondContact O-N 3.25Å; L282-L285 VanDerWaalsContact O-N 3.09Å; L282-Y287 VanDerWaalsContact CD1-CB 3.45Å; L282-Y287 HydrophobicContact CD1-CG 4.45Å; L282-P294 HydrophobicContact CD1-CB 3.74Å; L282-P294 HydrophobicContact CD1-CG 4.36Å; L282-C296 HydrophobicContact CD2-CB 3.82Å
283	V	97.2	Very high	97.8	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61	130	-173.3	66	0	0	0	0	110.8	R153 Q156 L157 Q160 L161 P281 L285 I286	R153-V283 HydrophobicContact CG-CG2 4.25Å; Q156-V283 HydrophobicContact CB-CB 4.09Å; Q156-V283 HydrophobicContact CB-CG2 4.19Å; L157-V283 HydrophobicContact CB-CG2 3.94Å; L157-V283 HydrophobicContact CD1-CG1 4.03Å; L157-V283 HydrophobicContact CD1-CG2 4.08Å; Q160-V283 HydrophobicContact CB-CG1 3.89Å; Q160-V283 HydrophobicContact CG-CG1 4.47Å; L161-V283 HydrophobicContact CD1-CG1 4.13Å; L161-V283 HydrophobicContact CG-CG1 4.22Å; P281-V283 PolarHBondContact O-N 2.8Å; V283-L285 PolarHBondContact O-N 3.43Å; V283-I286 PolarHBondContact O-N 3.45Å
284	D	96.9	Very high	97.8	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	53.7	24.2	-178.1	-63	0.4	0	0	0	114.4	W120 R153 L282 I286	W120-D284 HydrophobicContact CD2-CB 4.47Å; W120-D284 VanDerWaalsContact CZ2-C 3.47Å; W120-D284 VanDerWaalsContact CZ2-CA 3.44Å; W120-D284 HydrophobicContact CZ2-CB 4.09Å; W120-D284 VanDerWaalsContact NE1-CG 3.33Å; R153-D284 IonicContact CZ-OD1 3.83Å; R153-D284 IonicContact CZ-OD2 3.94Å; R153-D284 IonicContact NE-OD1 2.88Å; R153-D284 PolarHBondContact NE-OD1 3.11Å; R153-D284 IonicContact NE-OD2 2.75Å; R153-D284 VanDerWaalsContact NH2-CG 3.28Å; R153-D284 IonicContact NH2-OD1 3.63Å; R153-D284 PolarHBondContact NH2-OD1 2.77Å; R153-D284 VanDerWaalsContact NH2-OD1 3.12Å; R153-D284 IonicContact NH2-OD2 3.12Å; R153-D284 PolarHBondContact NH2-OD2 2.94Å; L282-D284 PolarHBondContact O-N 2.9Å; D284-I286 HydrophobicContact CB-CD1 4.21Å; D284-I286 HydrophobicContact CB-CG1 4.28Å; D284-I286 PolarHBondContact O-N 3.45Å; D284-I286 VanDerWaalsContact O-N 3.16Å
285	L	98	Very high	97.8	Very high	3 Å²	3	37 Å²	37	2%	0.016	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	60.2	14.9	-173	-53.9	172.1	0	0	0	113.8	W120 P122 V196 G197 V199 V257 F273 L282 V283	W120-L285 HydrophobicContact CH2-CD1 3.87Å; W120-L285 HydrophobicContact CH2-CG 3.74Å; W120-L285 HydrophobicContact CZ2-CD1 4.23Å; W120-L285 HydrophobicContact CZ2-CG 4.09Å; P122-L285 HydrophobicContact CB-CD1 4.16Å; P122-L285 HydrophobicContact CG-CD1 4.4Å; V196-L285 CarbonylContact C-O 3.53Å; V196-L285 WeakPolarHBondContact CA-O 3.01Å; G197-L285 PolarHBondContact N-O 3.14Å; V199-L285 HydrophobicContact CG2-CD1 3.57Å; V257-L285 HydrophobicContact CG1-CD2 4.05Å; V257-L285 HydrophobicContact CG2-CD2 4.06Å; F273-L285 HydrophobicContact CD1-CD2 3.93Å; F273-L285 HydrophobicContact CE1-CD2 4.48Å; L282-L285 PolarHBondContact O-N 3.25Å; L282-L285 VanDerWaalsContact O-N 3.09Å; V283-L285 PolarHBondContact O-N 3.43Å
286	I	98	Very high	97.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.5	175.6	-60.5	170.8	0	0	0	108.1	I69 L72 L161 L194 V196 V283 D284	I69-I286 HydrophobicContact CD1-CD1 4.32Å; I69-I286 HydrophobicContact CG1-CD1 4.19Å; I69-I286 HydrophobicContact CG2-CD1 3.72Å; L72-I286 HydrophobicContact CD2-CG2 3.83Å; L161-I286 HydrophobicContact CD1-CB 4.12Å; L161-I286 HydrophobicContact CD1-CD1 3.78Å; L161-I286 HydrophobicContact CD1-CG2 3.92Å; L161-I286 HydrophobicContact CD2-CG2 4.08Å; L194-I286 HydrophobicContact CD1-CG2 3.89Å; V196-I286 HydrophobicContact CG2-CG1 4.47Å; V283-I286 PolarHBondContact O-N 3.45Å; D284-I286 HydrophobicContact CB-CD1 4.21Å; D284-I286 HydrophobicContact CB-CG1 4.28Å; D284-I286 PolarHBondContact O-N 3.45Å; D284-I286 VanDerWaalsContact O-N 3.16Å
287	Y	98.4	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168	-175.7	76.1	-83.2	0	0	0	112	G195 S259 D260 R261 F273 L282 W289 P294 W295	G195-Y287 VanDerWaalsContact C-CD1 3.43Å; G195-Y287 VanDerWaalsContact CA-CE1 3.48Å; G195-Y287 PolarHBondContact N-O 3.41Å; G195-Y287 WeakPolarHBondContact O-CD1 3.38Å; G195-Y287 PolarHBondContact O-N 3.45Å; S259-Y287 WeakPolarHBondContact CB-OH 3.16Å; S259-Y287 WeakPolarHBondContact OG-CE2 3.4Å; S259-Y287 PolarHBondContact OG-OH 3.37Å; D260-Y287 PolarHBondContact N-OH 3.04Å; D260-Y287 PolarHBondContact OD1-OH 3.44Å; R261-Y287 HydrophobicContact CB-CE2 4.13Å; R261-Y287 WeakPolarHBondContact CB-OH 3.43Å; R261-Y287 HydrophobicContact CG-CE2 4.09Å; R261-Y287 WeakPolarHBondContact CG-OH 3.45Å; R261-Y287 PolarHBondContact N-OH 3.05Å; F273-Y287 AromaticContact CE1-CD1 3.9Å; F273-Y287 HydrophobicContact CE1-CD1 3.9Å; F273-Y287 HydrophobicContact CE1-CG 4.2Å; F273-Y287 AromaticContact CZ-CD1 3.65Å; F273-Y287 HydrophobicContact CZ-CD1 3.65Å; F273-Y287 HydrophobicContact CZ-CD2 4.41Å; F273-Y287 HydrophobicContact CZ-CE1 4.03Å; F273-Y287 AromaticContact CZ-CG 3.87Å; F273-Y287 HydrophobicContact CZ-CG 3.87Å; L282-Y287 VanDerWaalsContact CD1-CB 3.45Å; L282-Y287 HydrophobicContact CD1-CG 4.45Å; Y287-W289 HydrophobicContact CD2-CE3 4.5Å; Y287-W289 HydrophobicContact CE2-CB 4.24Å; Y287-W289 AromaticContact CE2-CE3 3.98Å; Y287-W289 HydrophobicContact CE2-CE3 3.98Å; Y287-P294 HydrophobicContact CD2-CB 4.02Å; Y287-P294 HydrophobicContact CG-CB 4.47Å; Y287-W295 CarbonylContact C-O 3.6Å
288	F	98.2	Very high	97.7	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.8	176.3	-70	-112.8	0	0	0	108.1	L72 L161 Y189 A193 L194 W295 Y300	L72-F288 HydrophobicContact CD1-CZ 4.34Å; L161-F288 HydrophobicContact CD2-CE2 3.86Å; Y189-F288 HydrophobicContact CD2-CD1 4.28Å; Y189-F288 AromaticContact CD2-CE1 3.32Å; Y189-F288 HydrophobicContact CD2-CE1 3.32Å; Y189-F288 HydrophobicContact CD2-CZ 4.04Å; Y189-F288 AromaticContact CE2-CE1 3.81Å; Y189-F288 HydrophobicContact CE2-CE1 3.81Å; Y189-F288 HydrophobicContact CE2-CZ 4.08Å; Y189-F288 AromaticContact CG-CE1 3.81Å; Y189-F288 HydrophobicContact CG-CE1 3.81Å; A193-F288 HydrophobicContact CB-CB 4.43Å; A193-F288 HydrophobicContact CB-CD1 4.17Å; A193-F288 WeakPolarHBondContact O-CA 3.48Å; L194-F288 HydrophobicContact CD1-CD2 4.5Å; L194-F288 HydrophobicContact CD1-CE1 4.48Å; L194-F288 HydrophobicContact CD1-CE2 3.94Å; L194-F288 HydrophobicContact CD1-CZ 3.94Å; F288-W295 HydrophobicContact CB-CB 4.44Å; F288-W295 PolarHBondContact N-O 3.24Å; F288-W295 WeakPolarHBondContact O-CB 3.49Å; F288-W295 PolarHBondContact O-N 3.1Å; F288-Y300 HydrophobicContact CB-CD1 4.3Å; F288-Y300 HydrophobicContact CB-CD2 3.62Å; F288-Y300 HydrophobicContact CB-CE2 4.38Å; F288-Y300 HydrophobicContact CB-CG 3.57Å; F288-Y300 AromaticContact CD1-CD1 3.51Å; F288-Y300 HydrophobicContact CD1-CD1 3.51Å; F288-Y300 HydrophobicContact CD1-CD2 4.29Å; F288-Y300 HydrophobicContact CD1-CE1 4.01Å; F288-Y300 AromaticContact CD1-CG 3.69Å; F288-Y300 HydrophobicContact CD1-CG 3.69Å; F288-Y300 HydrophobicContact CE1-CD1 4.15Å; F288-Y300 HydrophobicContact CG-CD1 4.2Å; F288-Y300 HydrophobicContact CG-CD2 4.39Å; F288-Y300 AromaticContact CG-CG 3.91Å; F288-Y300 HydrophobicContact CG-CG 3.91Å
289	W	97.9	Very high	97.8	Very high	51 Å²	51	28.5 Å²	28.5	19%	0.193	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.1	-178.7	-168.2	-106	0	0	0	111	A193 R261 A262 W268 Y287 G292	A193-W289 PolarHBondContact O-N 2.79Å; R261-W289 HydrophobicContact CB-CB 3.6Å; R261-W289 HydrophobicContact CB-CD2 3.76Å; R261-W289 HydrophobicContact CB-CE3 4.17Å; R261-W289 HydrophobicContact CB-CG 3.51Å; R261-W289 HydrophobicContact CG-CB 3.8Å; R261-W289 HydrophobicContact CG-CG 4.26Å; A262-W289 HydrophobicContact CB-CE3 4.45Å; A262-W289 HydrophobicContact CB-CH2 3.25Å; A262-W289 HydrophobicContact CB-CZ2 3.82Å; A262-W289 HydrophobicContact CB-CZ3 3.62Å; W268-W289 HydrophobicContact CH2-CZ3 4.4Å; Y287-W289 HydrophobicContact CD2-CE3 4.5Å; Y287-W289 HydrophobicContact CE2-CB 4.24Å; Y287-W289 AromaticContact CE2-CE3 3.98Å; Y287-W289 HydrophobicContact CE2-CE3 3.98Å; W289-G292 VanDerWaalsContact CH2-C 3.47Å; W289-G292 WeakPolarHBondContact CH2-O 3.38Å; W289-G292 WeakPolarHBondContact CZ2-O 3.46Å
290	K	97.3	Very high	97.8	Very high	48 Å²	48	25.1 Å²	25.1	21%	0.209	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	135.4	175.1	-176.2	174.1	-178.1	-71	0	110.2	G292 A293 W295 Y300 S303	K290-G292 PolarHBondContact O-N 3Å; K290-A293 PolarHBondContact N-O 2.86Å; K290-A293 VanDerWaalsContact N-O 3.08Å; K290-A293 PolarHBondContact O-N 3.02Å; K290-W295 HydrophobicContact CB-CG 4.44Å; K290-W295 PolarHBondContact O-NE1 3.47Å; K290-W295 VanDerWaalsContact O-NE1 3.16Å; K290-Y300 HydrophobicContact CB-CD2 3.94Å; K290-Y300 HydrophobicContact CB-CE2 3.98Å; K290-Y300 HydrophobicContact CD-CD2 4.14Å; K290-Y300 HydrophobicContact CD-CE2 4.18Å; K290-Y300 HydrophobicContact CG-CE2 4.49Å; K290-S303 WeakPolarHBondContact CD-OG 3.45Å; K290-S303 WeakPolarHBondContact CE-OG 3.47Å
291	D	96.1	Very high	97.8	Very high	131 Å²	131	22.4 Å²	22.4	70%	0.701	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	41.1	175.6	-52.9	-29.6	0	0	0	113.5	A293	D291-A293 VanDerWaalsContact C-N 3.27Å; D291-A293 PolarHBondContact O-N 3.1Å
292	G	95.7	Very high	97.7	Very high	44 Å²	44	22.9 Å²	22.9	45%	0.454	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	9.4	177.2	0	0	0	0	0	115.4	W289 K290	W289-G292 VanDerWaalsContact CH2-C 3.47Å; W289-G292 WeakPolarHBondContact CH2-O 3.38Å; W289-G292 WeakPolarHBondContact CZ2-O 3.46Å; K290-G292 PolarHBondContact O-N 3Å
293	A	97.3	Very high	97.7	Very high	28 Å²	28	24.6 Å²	24.6	23%	0.231	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.7	-178.4	0	0	0	0	0	112.4	A276 K290 D291 W295	A276-A293 HydrophobicContact CB-CB 4.01Å; K290-A293 PolarHBondContact N-O 2.86Å; K290-A293 VanDerWaalsContact N-O 3.08Å; K290-A293 PolarHBondContact O-N 3.02Å; D291-A293 VanDerWaalsContact C-N 3.27Å; D291-A293 PolarHBondContact O-N 3.1Å; A293-W295 VanDerWaalsContact O-CD1 3.24Å
294	P	98.3	Very high	97.6	Very high	10 Å²	10	27.7 Å²	27.7	7%	0.065	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.4	173.3	34.3	-34.8	0	0	0	112.1	F273 A276 L282 Y287	F273-P294 HydrophobicContact CE2-CB 4.24Å; F273-P294 HydrophobicContact CE2-CG 4.3Å; F273-P294 HydrophobicContact CZ-CB 4.37Å; A276-P294 PolarHBondContact N-O 2.67Å; L282-P294 HydrophobicContact CD1-CB 3.74Å; L282-P294 HydrophobicContact CD1-CG 4.36Å; Y287-P294 HydrophobicContact CD2-CB 4.02Å; Y287-P294 HydrophobicContact CG-CB 4.47Å
295	W	98.8	Very high	97.6	Very high	42 Å²	42	30.3 Å²	30.3	16%	0.159	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.7	-179.4	-66.2	66.9	0	0	0	110.4	A276 K277 Y287 F288 K290 A293 H299	A276-W295 HydrophobicContact CB-CD2 4.3Å; A276-W295 HydrophobicContact CB-CZ2 4.24Å; K277-W295 HydrophobicContact CB-CE3 4.12Å; K277-W295 HydrophobicContact CB-CH2 4.37Å; K277-W295 HydrophobicContact CB-CZ3 3.74Å; K277-W295 HydrophobicContact CD-CZ3 4.13Å; Y287-W295 CarbonylContact C-O 3.6Å; F288-W295 HydrophobicContact CB-CB 4.44Å; F288-W295 PolarHBondContact N-O 3.24Å; F288-W295 WeakPolarHBondContact O-CB 3.49Å; F288-W295 PolarHBondContact O-N 3.1Å; K290-W295 HydrophobicContact CB-CG 4.44Å; K290-W295 PolarHBondContact O-NE1 3.47Å; K290-W295 VanDerWaalsContact O-NE1 3.16Å; A293-W295 VanDerWaalsContact O-CD1 3.24Å; W295-H299 HydrophobicContact CE3-CB 3.82Å; W295-H299 HydrophobicContact CZ3-CB 4.28Å
296	C	98.7	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.			trans	-75.5	157.4	166.2	75.2	0	0	0	0	109.9	Q160 C275 L282 R298 H299 Y300	Q160-C296 HydrophobicContact CB-CB 3.85Å; Q160-C296 HydrophobicContact CG-CB 3.78Å; C275-C296 HydrophobicContact CB-CB 3.95Å; C275-C296 PolarHBondContact SG-N 3.29Å; L282-C296 HydrophobicContact CD2-CB 3.82Å; C296-R298 VanDerWaalsContact C-N 3.33Å; C296-R298 PolarHBondContact O-N 2.79Å; C296-H299 PolarHBondContact O-N 3.42Å; C296-H299 PolarHBondContact SG-ND1 3.21Å; C296-Y300 WeakPolarHBondContact O-CB 3.45Å; C296-Y300 PolarHBondContact O-N 2.95Å
297	G	97.9	Very high	97.5	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-44.5	-177	0	0	0	0	0	113.2	Q160 H299 Y300 C301	Q160-G297 CarbonylContact O-C 3.51Å; Q160-G297 VanDerWaalsContact O-CA 3.27Å; Q160-G297 WeakPolarHBondContact O-CA 3.22Å; Q160-G297 PolarHBondContact O-N 3.32Å; Q160-G297 VanDerWaalsContact O-N 3.12Å; G297-H299 PolarHBondContact O-N 3.14Å; G297-Y300 PolarHBondContact O-N 3.44Å; G297-C301 WeakPolarHBondContact O-CB 3.43Å; G297-C301 PolarHBondContact O-N 3.12Å; G297-C301 PolarHBondContact O-SG 2.96Å
298	R	97.8	Very high	97.3	Very high	8 Å²	8	32.9 Å²	32.9	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-53.9	-54.2	176.5	172	179.5	-71	-86.9	7.2	112.3	E55 H159 Q160 P162 C296 C301 E302 R307 D312	E55-R298 IonicContact OE1-NH2 3.43Å; H159-R298 PolarHBondContact CD2-NE 3.25Å; H159-R298 VanDerWaalsContact CE1-CD 3.45Å; H159-R298 WeakPolarHBondContact CE1-CD 3.18Å; H159-R298 WeakPolarHBondContact NE2-CD 3.42Å; H159-R298 PolarHBondContact NE2-NE 3.09Å; H159-R298 WeakPolarHBondContact O-CB 3.24Å; H159-R298 PolarHBondContact O-NE 3.27Å; Q160-R298 PolarHBondContact O-N 3.32Å; P162-R298 HydrophobicContact CG-CB 4.38Å; C296-R298 VanDerWaalsContact C-N 3.33Å; C296-R298 PolarHBondContact O-N 2.79Å; R298-C301 PolarHBondContact O-N 3.33Å; R298-E302 WeakPolarHBondContact CG-OE1 3.45Å; R298-E302 IonicContact NH1-OE1 3.67Å; R298-E302 WeakPolarHBondContact O-CG 3.02Å; R298-E302 PolarHBondContact O-N 2.87Å; R298-R307 VanDerWaalsContact NH1-CD 3.29Å; R298-R307 PolarHBondContact O-NH2 2.88Å; R298-D312 IonicContact CZ-OD1 2.72Å; R298-D312 IonicContact CZ-OD2 2.57Å; R298-D312 VanDerWaalsContact NH1-CG 3.31Å; R298-D312 IonicContact NH1-OD1 3.14Å; R298-D312 PolarHBondContact NH1-OD1 3.05Å; R298-D312 IonicContact NH1-OD2 2.67Å; R298-D312 PolarHBondContact NH1-OD2 3.31Å; R298-D312 IonicContact NH2-OD1 2.98Å; R298-D312 IonicContact NH2-OD2 3.89Å; R298-D312 PolarHBondContact NH2-OD2 3.5Å
299	H	98.4	Very high	97.1	Very high	19 Å²	19	35.2 Å²	35.2	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-73.9	-31.8	-175.9	-71.6	135.9	0	0	0	112.8	K277 C278 W295 C296 G297 E302 S303	K277-H299 HydrophobicContact CB-CB 3.99Å; K277-H299 HydrophobicContact CD-CB 3.95Å; K277-H299 WeakPolarHBondContact CD-CD2 3.28Å; K277-H299 HydrophobicContact CG-CB 4.39Å; C278-H299 WeakPolarHBondContact CB-CE1 3.42Å; C278-H299 PolarHBondContact SG-CE1 2.77Å; C278-H299 PolarHBondContact SG-ND1 2.84Å; C278-H299 VanDerWaalsContact SG-ND1 3.43Å; W295-H299 HydrophobicContact CE3-CB 3.82Å; W295-H299 HydrophobicContact CZ3-CB 4.28Å; C296-H299 PolarHBondContact O-N 3.42Å; C296-H299 PolarHBondContact SG-ND1 3.21Å; G297-H299 PolarHBondContact O-N 3.14Å; H299-E302 IonicContact CD2-OE2 3.98Å; H299-E302 PolarHBondContact CD2-OE2 2.66Å; H299-E302 VanDerWaalsContact CD2-OE2 3.29Å; H299-E302 IonicContact NE2-OE2 2.79Å; H299-S303 WeakPolarHBondContact O-CB 3.4Å; H299-S303 PolarHBondContact O-N 3.44Å
300	Y	98.4	Very high	96.7	Very high	17 Å²	17	33.4 Å²	33.4	7%	0.067	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-50.6	169	176.9	-89.5	0	0	0	110.2	Y189 A193 F288 K290 C296 G297 E302 S303 L304	Y189-Y300 VanDerWaalsContact CB-CE1 3.49Å; Y189-Y300 HydrophobicContact CG-CE1 4.43Å; A193-Y300 HydrophobicContact CB-CD2 4.25Å; A193-Y300 HydrophobicContact CB-CE1 4.1Å; A193-Y300 HydrophobicContact CB-CE2 3.42Å; A193-Y300 VanDerWaalsContact CB-CE2 3.42Å; A193-Y300 VanDerWaalsContact CB-OH 3.3Å; A193-Y300 WeakPolarHBondContact CB-OH 3.44Å; F288-Y300 HydrophobicContact CB-CD1 4.3Å; F288-Y300 HydrophobicContact CB-CD2 3.62Å; F288-Y300 HydrophobicContact CB-CE2 4.38Å; F288-Y300 HydrophobicContact CB-CG 3.57Å; F288-Y300 AromaticContact CD1-CD1 3.51Å; F288-Y300 HydrophobicContact CD1-CD1 3.51Å; F288-Y300 HydrophobicContact CD1-CD2 4.29Å; F288-Y300 HydrophobicContact CD1-CE1 4.01Å; F288-Y300 AromaticContact CD1-CG 3.69Å; F288-Y300 HydrophobicContact CD1-CG 3.69Å; F288-Y300 HydrophobicContact CE1-CD1 4.15Å; F288-Y300 HydrophobicContact CG-CD1 4.2Å; F288-Y300 HydrophobicContact CG-CD2 4.39Å; F288-Y300 AromaticContact CG-CG 3.91Å; F288-Y300 HydrophobicContact CG-CG 3.91Å; K290-Y300 HydrophobicContact CB-CD2 3.94Å; K290-Y300 HydrophobicContact CB-CE2 3.98Å; K290-Y300 HydrophobicContact CD-CD2 4.14Å; K290-Y300 HydrophobicContact CD-CE2 4.18Å; K290-Y300 HydrophobicContact CG-CE2 4.49Å; C296-Y300 WeakPolarHBondContact O-CB 3.45Å; C296-Y300 PolarHBondContact O-N 2.95Å; G297-Y300 PolarHBondContact O-N 3.44Å; Y300-E302 PolarHBondContact O-N 3.3Å; Y300-S303 WeakPolarHBondContact O-CB 3.5Å; Y300-S303 PolarHBondContact O-N 2.93Å; Y300-S303 VanDerWaalsContact O-N 3.08Å; Y300-S303 PolarHBondContact O-OG 3.46Å; Y300-L304 HydrophobicContact CD1-CD1 4.16Å; Y300-L304 HydrophobicContact CE1-CD1 3.4Å; Y300-L304 HydrophobicContact CE1-CG 4.34Å
301	C	97.7	Very high	96.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-42.4	179.4	-66.2	0	0	0	0	112.5	F185 G297 R298 S303 L304 R305 I314	F185-C301 HydrophobicContact CE1-CB 4.2Å; F185-C301 HydrophobicContact CZ-CB 3.95Å; G297-C301 WeakPolarHBondContact O-CB 3.43Å; G297-C301 PolarHBondContact O-N 3.12Å; G297-C301 PolarHBondContact O-SG 2.96Å; R298-C301 PolarHBondContact O-N 3.33Å; C301-S303 PolarHBondContact O-N 2.97Å; C301-L304 PolarHBondContact O-N 3.37Å; C301-R305 PolarHBondContact O-N 2.83Å; C301-I314 HydrophobicContact CB-CD1 3.87Å; C301-I314 HydrophobicContact CB-CG1 4.21Å
302	E	97.1	Very high	96.4	Very high	47 Å²	47	26.7 Å²	26.7	22%	0.22	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-26.8	175	-77.2	171.9	-158.8	0	0	113.9	K277 R298 H299 Y300 L304 R305 R307	K277-E302 IonicContact NZ-OE2 3.73Å; K277-E302 PolarHBondContact NZ-OE2 2.57Å; R298-E302 WeakPolarHBondContact CG-OE1 3.45Å; R298-E302 IonicContact NH1-OE1 3.67Å; R298-E302 WeakPolarHBondContact O-CG 3.02Å; R298-E302 PolarHBondContact O-N 2.87Å; H299-E302 IonicContact CD2-OE2 3.98Å; H299-E302 PolarHBondContact CD2-OE2 2.66Å; H299-E302 VanDerWaalsContact CD2-OE2 3.29Å; H299-E302 IonicContact NE2-OE2 2.79Å; Y300-E302 PolarHBondContact O-N 3.3Å; E302-L304 PolarHBondContact O-N 2.95Å; E302-R305 CarbonylContact C-O 3.58Å; E302-R305 WeakPolarHBondContact CA-O 3.27Å; E302-R307 HydrophobicContact CG-CB 3.81Å; E302-R307 WeakPolarHBondContact OE1-CD 3.38Å; E302-R307 IonicContact OE1-CZ 3.12Å; E302-R307 IonicContact OE1-NE 3.32Å; E302-R307 PolarHBondContact OE1-NE 3.49Å
303	S	96.8	Very high	96.4	Very high	44 Å²	44	24.9 Å²	24.9	31%	0.308	14%	0.137	S	C	.	.	H	α-helix	trans	-74.1	-16	175.8	79.9	0	0	0	0	113.1	K290 H299 Y300 C301	K290-S303 WeakPolarHBondContact CD-OG 3.45Å; K290-S303 WeakPolarHBondContact CE-OG 3.47Å; H299-S303 WeakPolarHBondContact O-CB 3.4Å; H299-S303 PolarHBondContact O-N 3.44Å; Y300-S303 WeakPolarHBondContact O-CB 3.5Å; Y300-S303 PolarHBondContact O-N 2.93Å; Y300-S303 VanDerWaalsContact O-N 3.08Å; Y300-S303 PolarHBondContact O-OG 3.46Å; C301-S303 PolarHBondContact O-N 2.97Å
304	L	96.4	Very high	96.4	Very high	73 Å²	73	23.9 Å²	23.9	38%	0.382	13%	0.128	S	C	.	.	H	α-helix	trans	-105.3	-36.8	-178.7	-60.6	-177	0	0	0	112.7	F185 Y300 C301 E302	F185-L304 HydrophobicContact CE2-CB 3.78Å; F185-L304 HydrophobicContact CE2-CD1 3.62Å; F185-L304 HydrophobicContact CE2-CG 4.36Å; F185-L304 HydrophobicContact CZ-CB 4.35Å; F185-L304 HydrophobicContact CZ-CD1 4.13Å; Y300-L304 HydrophobicContact CD1-CD1 4.16Å; Y300-L304 HydrophobicContact CE1-CD1 3.4Å; Y300-L304 HydrophobicContact CE1-CG 4.34Å; C301-L304 PolarHBondContact O-N 3.37Å; E302-L304 PolarHBondContact O-N 2.95Å
305	R	96.4	Very high	96.3	Very high	62 Å²	62	23.5 Å²	23.5	23%	0.234	13%	0.125	C	C	.	.	S	Bend	trans	-142.2	145.2	-176.9	-70	-79.6	-170.8	153.4	-0.8	109.8	F185 C301 E302 I314 E318	F185-R305 HydrophobicContact CD2-CG 4.47Å; F185-R305 HydrophobicContact CE2-CG 4.15Å; C301-R305 PolarHBondContact O-N 2.83Å; E302-R305 CarbonylContact C-O 3.58Å; E302-R305 WeakPolarHBondContact CA-O 3.27Å; R305-I314 HydrophobicContact CB-CG2 3.36Å; R305-I314 HydrophobicContact CG-CG2 4.09Å; R305-E318 IonicContact NH1-OE1 2.87Å
306	P	96.9	Very high	96.2	Very high	37 Å²	37	21.7 Å²	21.7	24%	0.24	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-66.2	141.9	-179.6	22.7	-27	0	0	0	111.3	I315 Y320 A327	P306-I315 HydrophobicContact CB-CD1 4.42Å; P306-I315 HydrophobicContact CG-CB 4.2Å; P306-I315 WeakPolarHBondContact O-CB 3.33Å; P306-I315 WeakPolarHBondContact O-CG1 3.44Å; P306-I315 PolarHBondContact O-N 3.07Å; P306-Y320 HydrophobicContact CB-CE2 4.25Å; P306-Y320 HydrophobicContact CG-CD2 4.49Å; P306-Y320 HydrophobicContact CG-CE1 4.18Å; P306-Y320 HydrophobicContact CG-CE2 3.97Å; P306-A327 HydrophobicContact CB-CB 3.71Å
307	R	96.7	Very high	96	Very high	21 Å²	21	23.3 Å²	23.3	8%	0.079	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-99.9	135.2	172.8	-174.5	178.7	-59.5	-82	-3.3	110.5	D165 R298 E302 S309 D312 I314	D165-R307 IonicContact OD1-CZ 3.84Å; D165-R307 IonicContact OD1-NH1 3.7Å; D165-R307 PolarHBondContact OD1-NH1 2.98Å; D165-R307 IonicContact OD1-NH2 3.67Å; D165-R307 IonicContact OD2-CZ 3.94Å; D165-R307 IonicContact OD2-NH1 3.74Å; D165-R307 PolarHBondContact OD2-NH1 2.92Å; D165-R307 IonicContact OD2-NH2 2.83Å; D165-R307 PolarHBondContact OD2-NH2 3.14Å; R298-R307 VanDerWaalsContact NH1-CD 3.29Å; R298-R307 PolarHBondContact O-NH2 2.88Å; E302-R307 HydrophobicContact CG-CB 3.81Å; E302-R307 WeakPolarHBondContact OE1-CD 3.38Å; E302-R307 IonicContact OE1-CZ 3.12Å; E302-R307 IonicContact OE1-NE 3.32Å; E302-R307 PolarHBondContact OE1-NE 3.49Å; R307-S309 PolarHBondContact O-N 3.44Å; R307-D312 WeakPolarHBondContact CD-OD1 2.99Å; R307-D312 PolarHBondContact NH1-O 3.48Å; R307-I314 HydrophobicContact CB-CD1 4.13Å
308	C	95.4	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-71.7	116	176.7	177.7	0	0	0	0	111.3	G310 C311 D312 E313 I315 A327 H329 H332	C308-G310 PolarHBondContact O-N 2.92Å; C308-C311 VanDerWaalsContact CB-SG 3.53Å; C308-C311 PolarHBondContact O-N 3.07Å; C308-D312 WeakPolarHBondContact O-CA 3.34Å; C308-D312 PolarHBondContact O-N 3.27Å; C308-E313 PolarHBondContact N-O 3.34Å; C308-I315 HydrophobicContact CB-CD1 3.92Å; C308-I315 HydrophobicContact CB-CG1 3.85Å; C308-A327 CarbonylContact C-O 3.51Å; C308-A327 WeakPolarHBondContact CA-O 3.38Å; C308-H329 VanDerWaalsContact CB-ND1 3.32Å; C308-H329 WeakPolarHBondContact CB-ND1 3.23Å; C308-H329 PolarHBondContact SG-N 3.49Å; C308-H332 PolarHBondContact SG-ND1 3.34Å
309	S	92.7	Very high	95.6	Very high	52 Å²	52	34.3 Å²	34.3	36%	0.364	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.7	179	-48.7	0	0	0	0	114	R307 A327	R307-S309 PolarHBondContact O-N 3.44Å; S309-A327 PolarHBondContact N-O 2.92Å; S309-A327 PolarHBondContact OG-O 3.07Å
310	G	90.9	Very high	95.5	Very high	13 Å²	13	36.4 Å²	36.4	13%	0.134	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-50.1	176	0	0	0	0	0	114.5	R44 C308	R44-G310 WeakPolarHBondContact CA-O 3.48Å; C308-G310 PolarHBondContact O-N 2.92Å
311	C	92.1	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.9	-176.9	72.9	0	0	0	0	113.9	W43 K45 C308 E313 H329 H332	W43-C311 HydrophobicContact CE3-CB 3.84Å; W43-C311 HydrophobicContact CZ3-CB 4.24Å; K45-C311 WeakPolarHBondContact CD-O 3.42Å; K45-C311 WeakPolarHBondContact CE-O 3.34Å; K45-C311 WeakPolarHBondContact CG-O 3.46Å; K45-C311 PolarHBondContact NZ-O 3.39Å; C308-C311 VanDerWaalsContact CB-SG 3.53Å; C308-C311 PolarHBondContact O-N 3.07Å; C311-E313 PolarHBondContact O-N 3.26Å; C311-E313 VanDerWaalsContact O-N 3.17Å; C311-H329 PolarHBondContact SG-ND1 3.31Å; C311-H332 VanDerWaalsContact CB-CE1 3.43Å; C311-H332 WeakPolarHBondContact CB-CE1 3.45Å; C311-H332 WeakPolarHBondContact CB-ND1 3.3Å; C311-H332 PolarHBondContact SG-CE1 2.75Å; C311-H332 PolarHBondContact SG-ND1 2.85Å
312	D	93.6	Very high	95.2	Very high	38 Å²	38	45.7 Å²	45.7	20%	0.203	23%	0.228	C	C	.	.			trans	63.4	15.1	178.6	-160	44.3	0	0	0	114.4	K45 Y164 R298 R307 C308	K45-D312 HydrophobicContact CB-CB 4.33Å; K45-D312 HydrophobicContact CD-CB 4.1Å; K45-D312 HydrophobicContact CG-CB 4.45Å; K45-D312 PolarHBondContact NZ-O 3.16Å; Y164-D312 WeakPolarHBondContact CE2-O 3.42Å; Y164-D312 PolarHBondContact OH-OD2 3Å; R298-D312 IonicContact CZ-OD1 2.72Å; R298-D312 IonicContact CZ-OD2 2.57Å; R298-D312 VanDerWaalsContact NH1-CG 3.31Å; R298-D312 IonicContact NH1-OD1 3.14Å; R298-D312 PolarHBondContact NH1-OD1 3.05Å; R298-D312 IonicContact NH1-OD2 2.67Å; R298-D312 PolarHBondContact NH1-OD2 3.31Å; R298-D312 IonicContact NH2-OD1 2.98Å; R298-D312 IonicContact NH2-OD2 3.89Å; R298-D312 PolarHBondContact NH2-OD2 3.5Å; R307-D312 WeakPolarHBondContact CD-OD1 2.99Å; R307-D312 PolarHBondContact NH1-O 3.48Å; C308-D312 WeakPolarHBondContact O-CA 3.34Å; C308-D312 PolarHBondContact O-N 3.27Å
313	E	95.4	Very high	95	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.028	22%	0.222	C	C	.	.			trans	-94.6	149.7	175.5	-63.4	178.9	-169.6	0	0	111	K45 Y164 R172 C308 C311	K45-E313 IonicContact NZ-OE1 2.68Å; Y164-E313 HydrophobicContact CD2-CG 4.15Å; Y164-E313 HydrophobicContact CG-CG 4.39Å; R172-E313 PolarHBondContact N-OE1 3.4Å; R172-E313 PolarHBondContact N-OE2 3.16Å; C308-E313 PolarHBondContact N-O 3.34Å; C311-E313 PolarHBondContact O-N 3.26Å; C311-E313 VanDerWaalsContact O-N 3.17Å
314	I	97.3	Very high	94.6	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.036	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-62.9	134.5	168.6	-61.7	-60	0	0	0	109.5	C301 R305 R307 F316	C301-I314 HydrophobicContact CB-CD1 3.87Å; C301-I314 HydrophobicContact CB-CG1 4.21Å; R305-I314 HydrophobicContact CB-CG2 3.36Å; R305-I314 HydrophobicContact CG-CG2 4.09Å; R307-I314 HydrophobicContact CB-CD1 4.13Å; I314-F316 HydrophobicContact CB-CE2 3.96Å; I314-F316 HydrophobicContact CG2-CD2 4.18Å; I314-F316 HydrophobicContact CG2-CE2 3.64Å; I314-F316 HydrophobicContact CG2-CZ 3.93Å
315	I	97.3	Very high	94.2	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.265	C	S	.	.			trans	-91.6	113	-179.7	-54	174.7	0	0	0	108.3	P306 C308 S317 Y320 A327	P306-I315 HydrophobicContact CB-CD1 4.42Å; P306-I315 HydrophobicContact CG-CB 4.2Å; P306-I315 WeakPolarHBondContact O-CB 3.33Å; P306-I315 WeakPolarHBondContact O-CG1 3.44Å; P306-I315 PolarHBondContact O-N 3.07Å; C308-I315 HydrophobicContact CB-CD1 3.92Å; C308-I315 HydrophobicContact CB-CG1 3.85Å; I315-S317 WeakPolarHBondContact CG2-O 3.5Å; I315-Y320 HydrophobicContact CD1-CD2 4.29Å; I315-Y320 HydrophobicContact CD1-CG 4.36Å; I315-Y320 HydrophobicContact CG2-CD1 4.25Å; I315-Y320 HydrophobicContact CG2-CG 4.11Å; I315-A327 HydrophobicContact CD1-CB 3.84Å
316	F	96.4	Very high	94.1	Very high	5 Å²	5	53 Å²	53	2%	0.022	27%	0.265	C	S	.	.			trans	-93	-17.4	172.9	-74.3	-84.4	0	0	0	113.3	L174 E178 L181 M182 F185 I314	L174-F316 HydrophobicContact CD2-CD2 4.35Å; E178-F316 HydrophobicContact CB-CB 3.98Å; E178-F316 HydrophobicContact CG-CB 4.17Å; L181-F316 HydrophobicContact CB-CD1 3.62Å; L181-F316 HydrophobicContact CB-CE1 4.2Å; L181-F316 HydrophobicContact CB-CG 4.43Å; M182-F316 HydrophobicContact CB-CD2 4.24Å; M182-F316 HydrophobicContact CB-CE1 4.26Å; M182-F316 HydrophobicContact CB-CE2 3.85Å; M182-F316 HydrophobicContact CB-CZ 3.86Å; M182-F316 HydrophobicContact CG-CE2 4.06Å; M182-F316 HydrophobicContact CG-CZ 4.19Å; M182-F316 HydrophobicContact SD-CD2 4.34Å; M182-F316 HydrophobicContact SD-CE1 4.46Å; M182-F316 HydrophobicContact SD-CE2 3.23Å; M182-F316 WeakPolarHBondContact SD-CE2 3.41Å; M182-F316 HydrophobicContact SD-CZ 3.3Å; M182-F316 WeakPolarHBondContact SD-CZ 3.33Å; F185-F316 HydrophobicContact CB-CE1 3.86Å; F185-F316 HydrophobicContact CB-CZ 3.99Å; F185-F316 AromaticContact CD1-CZ 3.95Å; F185-F316 HydrophobicContact CD1-CZ 3.95Å; F185-F316 HydrophobicContact CG-CE1 4.09Å; F185-F316 AromaticContact CG-CZ 3.95Å; F185-F316 HydrophobicContact CG-CZ 3.95Å; I314-F316 HydrophobicContact CB-CE2 3.96Å; I314-F316 HydrophobicContact CG2-CD2 4.18Å; I314-F316 HydrophobicContact CG2-CE2 3.64Å; I314-F316 HydrophobicContact CG2-CZ 3.93Å
317	S	94.8	Very high	94	Very high	33 Å²	33	51.4 Å²	51.4	23%	0.231	26%	0.256	C	S	.	.			trans	-70.4	136.5	175.6	-135.8	0	0	0	0	111.2	E178 I315 D319 Y320	E178-S317 WeakPolarHBondContact OE1-CA 3.4Å; E178-S317 WeakPolarHBondContact OE1-CB 3.07Å; E178-S317 PolarHBondContact OE1-OG 3Å; I315-S317 WeakPolarHBondContact CG2-O 3.5Å; S317-D319 VanDerWaalsContact C-N 3.27Å; S317-Y320 WeakPolarHBondContact O-CD1 3.22Å
318	E	93.3	Very high	94	Very high	152 Å²	152	50.7 Å²	50.7	71%	0.71	25%	0.253	S	S	*	.	S	Bend	trans	-74	-21.8	170.4	-61.4	-57.5	145.5	0	0	111.9	R305 Y320	R305-E318 IonicContact NH1-OE1 2.87Å; E318-Y320 PolarHBondContact O-N 3.36Å
319	D	93.8	Very high	93.9	Very high	90 Å²	90	52.4 Å²	52.4	48%	0.481	26%	0.261	S	S	.	.			trans	-90.7	87.9	175.3	-174.8	28.1	0	0	0	111.5	S317 R330	S317-D319 VanDerWaalsContact C-N 3.27Å; D319-R330 WeakPolarHBondContact O-CG 3.5Å; D319-R330 IonicContact OD1-CZ 3.22Å; D319-R330 IonicContact OD1-NE 2.73Å; D319-R330 PolarHBondContact OD1-NE 3.04Å; D319-R330 IonicContact OD1-NH2 2.83Å; D319-R330 PolarHBondContact OD1-NH2 3.19Å; D319-R330 IonicContact OD2-NE 3.69Å
320	Y	95.6	Very high	94	Very high	63 Å²	63	54.9 Å²	54.9	25%	0.247	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161	176.7	70.6	-85	0	0	0	112	P306 I315 S317 E318 R322 A327 W328	P306-Y320 HydrophobicContact CB-CE2 4.25Å; P306-Y320 HydrophobicContact CG-CD2 4.49Å; P306-Y320 HydrophobicContact CG-CE1 4.18Å; P306-Y320 HydrophobicContact CG-CE2 3.97Å; I315-Y320 HydrophobicContact CD1-CD2 4.29Å; I315-Y320 HydrophobicContact CD1-CG 4.36Å; I315-Y320 HydrophobicContact CG2-CD1 4.25Å; I315-Y320 HydrophobicContact CG2-CG 4.11Å; S317-Y320 WeakPolarHBondContact O-CD1 3.22Å; E318-Y320 PolarHBondContact O-N 3.36Å; Y320-R322 HydrophobicContact CE2-CB 4.09Å; Y320-A327 HydrophobicContact CD2-CB 4.06Å; Y320-A327 HydrophobicContact CE2-CB 4.17Å; Y320-W328 WeakPolarHBondContact CB-O 3.41Å
321	Q	95.8	Very high	94	Very high	46 Å²	46	62.8 Å²	62.8	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.8	176.2	-175.2	61.2	60.5	0	0	109.5	V323 A327 W328 F333	Q321-V323 HydrophobicContact CG-CG2 4.3Å; Q321-A327 CarbonylContact O-C 3.51Å; Q321-A327 WeakPolarHBondContact O-CA 3.35Å; Q321-W328 PolarHBondContact N-O 3.26Å; Q321-W328 PolarHBondContact O-N 3.03Å; Q321-F333 HydrophobicContact CB-CB 4.21Å; Q321-F333 HydrophobicContact CB-CD2 3.88Å; Q321-F333 HydrophobicContact CB-CE2 4.42Å; Q321-F333 HydrophobicContact CB-CG 3.97Å; Q321-F333 HydrophobicContact CG-CB 4.43Å; Q321-F333 HydrophobicContact CG-CD1 3.94Å; Q321-F333 HydrophobicContact CG-CD2 3.44Å; Q321-F333 VanDerWaalsContact CG-CD2 3.44Å; Q321-F333 HydrophobicContact CG-CE1 4.01Å; Q321-F333 HydrophobicContact CG-CE2 3.51Å; Q321-F333 HydrophobicContact CG-CG 3.67Å; Q321-F333 HydrophobicContact CG-CZ 3.81Å
322	R	94.9	Very high	94.2	Very high	168 Å²	168	64.2 Å²	64.2	63%	0.634	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.8	170.5	-163.9	167.5	70.5	-179.6	4.1	110.2	Y320 L326	Y320-R322 HydrophobicContact CE2-CB 4.09Å; R322-L326 WeakPolarHBondContact CA-O 3.46Å; R322-L326 WeakPolarHBondContact CG-O 3.48Å
323	V	92.4	Very high	94.2	Very high	16 Å²	16	62.4 Å²	62.4	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	118.5	172.3	-176.8	0	0	0	0	106.8	Q321 D325 L326 W328 F333 Y347 V349	Q321-V323 HydrophobicContact CG-CG2 4.3Å; V323-D325 PolarHBondContact O-N 3.2Å; V323-L326 PolarHBondContact N-O 2.66Å; V323-L326 WeakPolarHBondContact O-CB 3.42Å; V323-L326 PolarHBondContact O-N 2.74Å; V323-W328 HydrophobicContact CB-CH2 4.41Å; V323-W328 HydrophobicContact CB-CZ3 3.83Å; V323-W328 HydrophobicContact CG2-CZ3 4.07Å; V323-F333 HydrophobicContact CG2-CE2 3.63Å; V323-F333 HydrophobicContact CG2-CZ 3.76Å; V323-Y347 HydrophobicContact CG1-CE2 3.73Å; V323-Y347 HydrophobicContact CG2-CE2 3.97Å; V323-V349 HydrophobicContact CG1-CG2 3.93Å
324	E	88.2	Confident	94.2	Very high	147 Å²	147	62.9 Å²	62.9	69%	0.687	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-130.5	-172.1	-58.4	172.2	176.3	0	0	110.3	L326	E324-L326 VanDerWaalsContact C-N 3.29Å
325	D	88.8	Confident	94	Very high	169 Å²	169	62.5 Å²	62.5	90%	0.904	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	6.7	177.5	-63.1	-39.1	0	0	0	113.5	V323	V323-D325 PolarHBondContact O-N 3.2Å
326	L	93.4	Very high	93.6	Very high	47 Å²	47	64.8 Å²	64.8	25%	0.246	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.8	-177.2	-58.4	176.2	0	0	0	111.4	R322 V323 E324 W328 V349	R322-L326 WeakPolarHBondContact CA-O 3.46Å; R322-L326 WeakPolarHBondContact CG-O 3.48Å; V323-L326 PolarHBondContact N-O 2.66Å; V323-L326 WeakPolarHBondContact O-CB 3.42Å; V323-L326 PolarHBondContact O-N 2.74Å; E324-L326 VanDerWaalsContact C-N 3.29Å; L326-W328 HydrophobicContact CB-CE3 4.31Å; L326-W328 HydrophobicContact CB-CH2 3.19Å; L326-W328 HydrophobicContact CB-CZ2 4.02Å; L326-W328 HydrophobicContact CB-CZ3 3.35Å; L326-W328 HydrophobicContact CD1-CH2 3.63Å; L326-W328 HydrophobicContact CD1-CZ2 4.09Å; L326-W328 HydrophobicContact CG-CH2 4.05Å; L326-V349 HydrophobicContact CD1-CG1 3.93Å
327	A	95.9	Very high	93.2	Very high	5 Å²	5	67 Å²	67	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.4	-179.6	0	0	0	0	0	111.2	P306 C308 S309 I315 Y320 Q321	P306-A327 HydrophobicContact CB-CB 3.71Å; C308-A327 CarbonylContact C-O 3.51Å; C308-A327 WeakPolarHBondContact CA-O 3.38Å; S309-A327 PolarHBondContact N-O 2.92Å; S309-A327 PolarHBondContact OG-O 3.07Å; I315-A327 HydrophobicContact CD1-CB 3.84Å; Y320-A327 HydrophobicContact CD2-CB 4.06Å; Y320-A327 HydrophobicContact CE2-CB 4.17Å; Q321-A327 CarbonylContact O-C 3.51Å; Q321-A327 WeakPolarHBondContact O-CA 3.35Å
328	W	95.4	Very high	93.1	Very high	5 Å²	5	67.8 Å²	67.8	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.8	174.9	-65.1	-104.2	0	0	0	110.2	Y320 Q321 V323 L326 R330 F333 L354	Y320-W328 WeakPolarHBondContact CB-O 3.41Å; Q321-W328 PolarHBondContact N-O 3.26Å; Q321-W328 PolarHBondContact O-N 3.03Å; V323-W328 HydrophobicContact CB-CH2 4.41Å; V323-W328 HydrophobicContact CB-CZ3 3.83Å; V323-W328 HydrophobicContact CG2-CZ3 4.07Å; L326-W328 HydrophobicContact CB-CE3 4.31Å; L326-W328 HydrophobicContact CB-CH2 3.19Å; L326-W328 HydrophobicContact CB-CZ2 4.02Å; L326-W328 HydrophobicContact CB-CZ3 3.35Å; L326-W328 HydrophobicContact CD1-CH2 3.63Å; L326-W328 HydrophobicContact CD1-CZ2 4.09Å; L326-W328 HydrophobicContact CG-CH2 4.05Å; W328-R330 PolarHBondContact O-N 2.91Å; W328-F333 HydrophobicContact CB-CB 4.16Å; W328-F333 HydrophobicContact CB-CD2 4.01Å; W328-F333 AromaticContact CD2-CD2 3.78Å; W328-F333 HydrophobicContact CD2-CD2 3.78Å; W328-F333 HydrophobicContact CD2-CE2 4.18Å; W328-F333 AromaticContact CE3-CD2 3.81Å; W328-F333 HydrophobicContact CE3-CD2 3.81Å; W328-F333 AromaticContact CE3-CE2 3.87Å; W328-F333 HydrophobicContact CE3-CE2 3.87Å; W328-F333 AromaticContact CG-CD2 3.89Å; W328-F333 HydrophobicContact CG-CD2 3.89Å; W328-F333 HydrophobicContact CZ3-CE2 4.14Å; W328-L354 HydrophobicContact CZ2-CB 4.24Å
329	H	95	Very high	93	Very high	36 Å²	36	66 Å²	66	17%	0.167	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	143.1	156.7	-65.3	109.2	0	0	0	109.2	C308 C311 K331 H332 F333	C308-H329 VanDerWaalsContact CB-ND1 3.32Å; C308-H329 WeakPolarHBondContact CB-ND1 3.23Å; C308-H329 PolarHBondContact SG-N 3.49Å; C311-H329 PolarHBondContact SG-ND1 3.31Å; H329-K331 PolarHBondContact O-N 2.97Å; H329-K331 VanDerWaalsContact O-N 3.11Å; H329-H332 HydrophobicContact CB-CB 4.18Å; H329-H332 AromaticContact CG-ND1 3.82Å; H329-H332 AromaticContact ND1-CE1 3.8Å; H329-H332 AromaticContact ND1-ND1 3.39Å; H329-H332 PolarHBondContact ND1-ND1 3.48Å; H329-H332 WeakPolarHBondContact O-CA 3.44Å; H329-H332 PolarHBondContact O-N 3.32Å; H329-F333 PolarHBondContact O-N 2.86Å
330	R	93	Very high	93	Very high	105 Å²	105	66.7 Å²	66.7	40%	0.396	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-48.4	-43.9	-180	-79	-72.8	-169.9	165.9	6.1	113.6	D319 W328 H332 F333 L341	D319-R330 WeakPolarHBondContact O-CG 3.5Å; D319-R330 IonicContact OD1-CZ 3.22Å; D319-R330 IonicContact OD1-NE 2.73Å; D319-R330 PolarHBondContact OD1-NE 3.04Å; D319-R330 IonicContact OD1-NH2 2.83Å; D319-R330 PolarHBondContact OD1-NH2 3.19Å; D319-R330 IonicContact OD2-NE 3.69Å; W328-R330 PolarHBondContact O-N 2.91Å; R330-H332 PolarHBondContact O-N 2.89Å; R330-F333 PolarHBondContact O-N 2.81Å; R330-L341 WeakPolarHBondContact O-CD1 3.29Å
331	K	92.9	Very high	92.9	Very high	179 Å²	179	67.5 Å²	67.5	78%	0.778	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.6	-179.7	-63.3	176.9	-176.4	168.3	0	113.7	H329	H329-K331 PolarHBondContact O-N 2.97Å; H329-K331 VanDerWaalsContact O-N 3.11Å
332	H	94.2	Very high	92.9	Very high	29 Å²	29	65.4 Å²	65.4	13%	0.134	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-100.4	-3.4	-177.9	-62.1	162.5	0	0	0	112.8	W43 C308 C311 H329 R330 V334	W43-H332 AromaticContact CD2-CD2 3.61Å; W43-H332 AromaticContact CD2-NE2 3.84Å; W43-H332 HydrophobicContact CE3-CB 4.21Å; W43-H332 AromaticContact CE3-CD2 3.3Å; W43-H332 AromaticContact CE3-CE1 3.87Å; W43-H332 AromaticContact CE3-CG 3.54Å; W43-H332 AromaticContact CE3-ND1 3.85Å; W43-H332 AromaticContact CE3-NE2 3.55Å; W43-H332 HydrophobicContact CH2-CB 3.69Å; W43-H332 AromaticContact CH2-CD2 3.99Å; W43-H332 AromaticContact CH2-CG 3.92Å; W43-H332 HydrophobicContact CZ3-CB 3.45Å; W43-H332 VanDerWaalsContact CZ3-CB 3.45Å; W43-H332 AromaticContact CZ3-CD2 3.48Å; W43-H332 VanDerWaalsContact CZ3-CD2 3.48Å; W43-H332 WeakPolarHBondContact CZ3-CD2 3.34Å; W43-H332 AromaticContact CZ3-CG 3.3Å; W43-H332 AromaticContact CZ3-ND1 3.84Å; C308-H332 PolarHBondContact SG-ND1 3.34Å; C311-H332 VanDerWaalsContact CB-CE1 3.43Å; C311-H332 WeakPolarHBondContact CB-CE1 3.45Å; C311-H332 WeakPolarHBondContact CB-ND1 3.3Å; C311-H332 PolarHBondContact SG-CE1 2.75Å; C311-H332 PolarHBondContact SG-ND1 2.85Å; H329-H332 HydrophobicContact CB-CB 4.18Å; H329-H332 AromaticContact CG-ND1 3.82Å; H329-H332 AromaticContact ND1-CE1 3.8Å; H329-H332 AromaticContact ND1-ND1 3.39Å; H329-H332 PolarHBondContact ND1-ND1 3.48Å; H329-H332 WeakPolarHBondContact O-CA 3.44Å; H329-H332 PolarHBondContact O-N 3.32Å; R330-H332 PolarHBondContact O-N 2.89Å; H332-V334 PolarHBondContact O-N 2.89Å
333	F	95.5	Very high	92.8	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	30%	0.303	C	S	.	.			trans	-78.5	65.5	173.9	-162.3	-105.5	0	0	0	110.9	Q321 V323 W328 H329 R330 L342 Y347 L354	Q321-F333 HydrophobicContact CB-CB 4.21Å; Q321-F333 HydrophobicContact CB-CD2 3.88Å; Q321-F333 HydrophobicContact CB-CE2 4.42Å; Q321-F333 HydrophobicContact CB-CG 3.97Å; Q321-F333 HydrophobicContact CG-CB 4.43Å; Q321-F333 HydrophobicContact CG-CD1 3.94Å; Q321-F333 HydrophobicContact CG-CD2 3.44Å; Q321-F333 VanDerWaalsContact CG-CD2 3.44Å; Q321-F333 HydrophobicContact CG-CE1 4.01Å; Q321-F333 HydrophobicContact CG-CE2 3.51Å; Q321-F333 HydrophobicContact CG-CG 3.67Å; Q321-F333 HydrophobicContact CG-CZ 3.81Å; V323-F333 HydrophobicContact CG2-CE2 3.63Å; V323-F333 HydrophobicContact CG2-CZ 3.76Å; W328-F333 HydrophobicContact CB-CB 4.16Å; W328-F333 HydrophobicContact CB-CD2 4.01Å; W328-F333 AromaticContact CD2-CD2 3.78Å; W328-F333 HydrophobicContact CD2-CD2 3.78Å; W328-F333 HydrophobicContact CD2-CE2 4.18Å; W328-F333 AromaticContact CE3-CD2 3.81Å; W328-F333 HydrophobicContact CE3-CD2 3.81Å; W328-F333 AromaticContact CE3-CE2 3.87Å; W328-F333 HydrophobicContact CE3-CE2 3.87Å; W328-F333 AromaticContact CG-CD2 3.89Å; W328-F333 HydrophobicContact CG-CD2 3.89Å; W328-F333 HydrophobicContact CZ3-CE2 4.14Å; H329-F333 PolarHBondContact O-N 2.86Å; R330-F333 PolarHBondContact O-N 2.81Å; F333-L342 HydrophobicContact CD1-CB 3.8Å; F333-L342 HydrophobicContact CE1-CB 3.7Å; F333-L342 PolarHBondContact O-N 2.81Å; F333-Y347 AromaticContact CE1-CD1 3.91Å; F333-Y347 HydrophobicContact CE1-CD1 3.91Å; F333-Y347 HydrophobicContact CE1-CE1 4.07Å; F333-Y347 HydrophobicContact CE1-CG 4.46Å; F333-Y347 AromaticContact CZ-CD1 3.86Å; F333-Y347 HydrophobicContact CZ-CD1 3.86Å; F333-Y347 HydrophobicContact CZ-CD2 4.34Å; F333-Y347 AromaticContact CZ-CE1 3.85Å; F333-Y347 HydrophobicContact CZ-CE1 3.85Å; F333-Y347 HydrophobicContact CZ-CE2 4.33Å; F333-Y347 HydrophobicContact CZ-CG 4.13Å; F333-L354 HydrophobicContact CD1-CD2 4.31Å; F333-L354 HydrophobicContact CD2-CD2 3.41Å; F333-L354 VanDerWaalsContact CD2-CD2 3.41Å; F333-L354 HydrophobicContact CE1-CD2 4.35Å; F333-L354 HydrophobicContact CE2-CD1 3.78Å; F333-L354 HydrophobicContact CE2-CD2 3.45Å; F333-L354 VanDerWaalsContact CE2-CD2 3.45Å; F333-L354 HydrophobicContact CE2-CG 4.29Å; F333-L354 HydrophobicContact CG-CD2 3.87Å; F333-L354 HydrophobicContact CZ-CD1 3.84Å; F333-L354 HydrophobicContact CZ-CD2 3.94Å
334	V	93.9	Very high	92.6	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.091	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-123.5	151.4	-175.2	-58.9	0	0	0	0	110.7	W43 R44 H332 E336 Q340 L341	W43-V334 HydrophobicContact CH2-CG2 4.03Å; W43-V334 HydrophobicContact CZ2-CG2 3.59Å; R44-V334 VanDerWaalsContact NH2-CG2 3.34Å; H332-V334 PolarHBondContact O-N 2.89Å; V334-E336 PolarHBondContact O-N 3.38Å; V334-Q340 CarbonylContact C-O 3.57Å; V334-Q340 VanDerWaalsContact CA-O 3.23Å; V334-Q340 WeakPolarHBondContact CA-O 3.41Å; V334-Q340 WeakPolarHBondContact CB-O 3.33Å; V334-L341 HydrophobicContact CG1-CB 4.39Å; V334-L341 HydrophobicContact CG1-CD1 3.8Å
335	C	93.4	Very high	92.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.			trans	-60.3	130.5	174.1	-179.4	0	0	0	0	110.7	G337 C338 E339 Q340 L342 L354 C356 C359	C335-G337 PolarHBondContact O-N 2.84Å; C335-G337 PolarHBondContact SG-N 3.25Å; C335-G337 VanDerWaalsContact SG-N 3.38Å; C335-C338 VanDerWaalsContact CB-SG 3.57Å; C335-E339 WeakPolarHBondContact O-CA 3.44Å; C335-E339 PolarHBondContact O-N 3.32Å; C335-Q340 PolarHBondContact N-O 2.82Å; C335-L342 HydrophobicContact CB-CD1 3.98Å; C335-L342 HydrophobicContact CB-CD2 4.35Å; C335-L342 HydrophobicContact CB-CG 4.3Å; C335-L354 CarbonylContact C-O 3.53Å; C335-L354 WeakPolarHBondContact CA-O 3.37Å; C335-C356 HydrophobicContact CB-CB 4.35Å; C335-C356 PolarHBondContact SG-N 3.01Å; C335-C359 VanDerWaalsContact SG-SG 3.69Å
336	E	89.1	Confident	93.1	Very high	50 Å²	50	57.7 Å²	57.7	23%	0.234	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.7	175.6	-77.9	177	-136	0	0	114.1	V334 Q353 L354 L355	V334-E336 PolarHBondContact O-N 3.38Å; E336-Q353 WeakPolarHBondContact OE1-CA 3.33Å; E336-Q353 WeakPolarHBondContact OE2-CG 3.42Å; E336-L354 PolarHBondContact N-O 3.12Å; E336-L354 PolarHBondContact OE1-N 2.97Å; E336-L355 HydrophobicContact CB-CD2 4.05Å
337	G	88.4	Confident	93.2	Very high	50 Å²	50	59.9 Å²	59.9	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-50.4	177.5	0	0	0	0	0	113.3	C335	C335-G337 PolarHBondContact O-N 2.84Å; C335-G337 PolarHBondContact SG-N 3.25Å; C335-G337 VanDerWaalsContact SG-N 3.38Å
338	C	91.9	Very high	93.1	Very high	50 Å²	50	62.5 Å²	62.5	34%	0.338	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	2.7	-172.1	67.6	0	0	0	0	114.9	C335 Q340	C335-C338 VanDerWaalsContact CB-SG 3.57Å; C338-Q340 PolarHBondContact O-N 2.8Å
339	E	91.3	Very high	92.8	Very high	116 Å²	116	63.9 Å²	63.9	54%	0.542	35%	0.348	S	S	.	.			trans	60.3	8.2	179.2	-50.9	-160.8	141.9	0	0	116.1	H41 R44 C335	H41-E339 IonicContact CE1-OE1 3.87Å; H41-E339 IonicContact NE2-OE1 3.31Å; H41-E339 PolarHBondContact NE2-OE1 3.28Å; R44-E339 IonicContact NH1-OE1 3.27Å; R44-E339 PolarHBondContact NH1-OE1 3.37Å; C335-E339 WeakPolarHBondContact O-CA 3.44Å; C335-E339 PolarHBondContact O-N 3.32Å
340	Q	93.9	Very high	92.3	Very high	104 Å²	104	64.7 Å²	64.7	49%	0.486	36%	0.355	S	S	.	.			trans	-71.5	138.8	176.3	-67.2	-173.8	7	0	0	111.8	V334 C335 C338 R345	V334-Q340 CarbonylContact C-O 3.57Å; V334-Q340 VanDerWaalsContact CA-O 3.23Å; V334-Q340 WeakPolarHBondContact CA-O 3.41Å; V334-Q340 WeakPolarHBondContact CB-O 3.33Å; C335-Q340 PolarHBondContact N-O 2.82Å; C338-Q340 PolarHBondContact O-N 2.8Å; Q340-R345 VanDerWaalsContact OE1-NH1 3.12Å
341	L	94.8	Very high	91.8	Very high	80 Å²	80	69.6 Å²	69.6	42%	0.419	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-61.9	133	172.9	-165.1	72.3	0	0	0	110.9	R330 V334 R345	R330-L341 WeakPolarHBondContact O-CD1 3.29Å; V334-L341 HydrophobicContact CG1-CB 4.39Å; V334-L341 HydrophobicContact CG1-CD1 3.8Å; L341-R345 WeakPolarHBondContact O-CD 3.4Å
342	L	95.6	Very high	91.1	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	36%	0.361	C	S	.	.			trans	-106.5	0.3	-175.4	-65.1	173.4	0	0	0	113.5	F333 C335 G344 R345 L354 C356	F333-L342 HydrophobicContact CD1-CB 3.8Å; F333-L342 HydrophobicContact CE1-CB 3.7Å; F333-L342 PolarHBondContact O-N 2.81Å; C335-L342 HydrophobicContact CB-CD1 3.98Å; C335-L342 HydrophobicContact CB-CD2 4.35Å; C335-L342 HydrophobicContact CB-CG 4.3Å; L342-G344 PolarHBondContact O-N 3.46Å; L342-G344 VanDerWaalsContact O-N 3.16Å; L342-R345 HydrophobicContact CD2-CB 4.49Å; L342-R345 PolarHBondContact O-N 3.34Å; L342-L354 HydrophobicContact CD1-CD1 4.18Å; L342-L354 HydrophobicContact CD1-CD2 3.91Å; L342-L354 HydrophobicContact CD1-CG 3.65Å; L342-C356 HydrophobicContact CD2-CB 3.89Å
343	S	91.5	Very high	90.7	Very high	37 Å²	37	64.6 Å²	64.6	26%	0.259	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	119.8	172.2	-58.5	0	0	0	0	110.2	R345	S343-R345 VanDerWaalsContact C-N 3.28Å; S343-R345 PolarHBondContact O-N 2.83Å
344	G	89.3	Confident	90.5	Very high	92 Å²	92	64.6 Å²	64.6	95%	0.948	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	13.7	-177.6	0	0	0	0	0	115.2	L342	L342-G344 PolarHBondContact O-N 3.46Å; L342-G344 VanDerWaalsContact O-N 3.16Å
345	R	93.1	Very high	90.5	Very high	138 Å²	138	64.1 Å²	64.1	52%	0.521	37%	0.366	S	S	.	.	S	Bend	trans	-119.3	160.5	177.1	-59	-173.9	-179.1	-174.2	-3.2	110.8	Q340 L341 L342 S343 Y347	Q340-R345 VanDerWaalsContact OE1-NH1 3.12Å; L341-R345 WeakPolarHBondContact O-CD 3.4Å; L342-R345 HydrophobicContact CD2-CB 4.49Å; L342-R345 PolarHBondContact O-N 3.34Å; S343-R345 VanDerWaalsContact C-N 3.28Å; S343-R345 PolarHBondContact O-N 2.83Å; R345-Y347 VanDerWaalsContact O-CD1 3.32Å; R345-Y347 WeakPolarHBondContact O-CD1 3.14Å
346	A	93.7	Very high	90.6	Very high	71 Å²	71	64.8 Å²	64.8	59%	0.587	37%	0.371	S	S	*	.			trans	-64.9	139.4	171.1	0	0	0	0	0	110.8	P357	A346-P357 HydrophobicContact CB-CG 3.88Å; A346-P357 VanDerWaalsContact O-CD 3.31Å; A346-P357 WeakPolarHBondContact O-CD 3.4Å
347	Y	95.3	Very high	90.8	Very high	93 Å²	93	64.7 Å²	64.7	37%	0.365	37%	0.374	S	S	.	.			trans	-144.8	163.3	178.9	59.7	-98.5	0	0	0	110.8	V323 F333 R345 V349 L354 L355	V323-Y347 HydrophobicContact CG1-CE2 3.73Å; V323-Y347 HydrophobicContact CG2-CE2 3.97Å; F333-Y347 AromaticContact CE1-CD1 3.91Å; F333-Y347 HydrophobicContact CE1-CD1 3.91Å; F333-Y347 HydrophobicContact CE1-CE1 4.07Å; F333-Y347 HydrophobicContact CE1-CG 4.46Å; F333-Y347 AromaticContact CZ-CD1 3.86Å; F333-Y347 HydrophobicContact CZ-CD1 3.86Å; F333-Y347 HydrophobicContact CZ-CD2 4.34Å; F333-Y347 AromaticContact CZ-CE1 3.85Å; F333-Y347 HydrophobicContact CZ-CE1 3.85Å; F333-Y347 HydrophobicContact CZ-CE2 4.33Å; F333-Y347 HydrophobicContact CZ-CG 4.13Å; R345-Y347 VanDerWaalsContact O-CD1 3.32Å; R345-Y347 WeakPolarHBondContact O-CD1 3.14Å; Y347-V349 HydrophobicContact CD2-CG2 4.22Å; Y347-V349 HydrophobicContact CE2-CG2 4.39Å; Y347-L354 HydrophobicContact CD2-CD1 3.95Å; Y347-L354 HydrophobicContact CG-CD1 4.16Å; Y347-L355 CarbonylContact C-O 3.45Å; Y347-L355 WeakPolarHBondContact CA-O 3.24Å
348	I	93.3	Very high	91.1	Very high	59 Å²	59	67.3 Å²	67.3	30%	0.303	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.8	176.1	-63.2	168.8	0	0	0	107.1	T350 L355 S360	I348-T350 WeakPolarHBondContact CG2-OG1 3.27Å; I348-L355 PolarHBondContact N-O 2.87Å; I348-L355 PolarHBondContact O-N 3Å; I348-S360 WeakPolarHBondContact CD1-OG 3.41Å
349	V	90.8	Very high	91.2	Very high	34 Å²	34	66 Å²	66	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	169.7	-179.2	0	0	0	0	108	V323 L326 Y347 Q353 L354	V323-V349 HydrophobicContact CG1-CG2 3.93Å; L326-V349 HydrophobicContact CD1-CG1 3.93Å; Y347-V349 HydrophobicContact CD2-CG2 4.22Å; Y347-V349 HydrophobicContact CE2-CG2 4.39Å; V349-Q353 WeakPolarHBondContact CA-O 3.23Å; V349-L354 HydrophobicContact CG2-CD1 3.81Å
350	T	84.5	Confident	91.3	Very high	53 Å²	53	60.9 Å²	60.9	33%	0.325	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	119.6	177	-60.1	0	0	0	0	109.7	I348 G352 Q353	I348-T350 WeakPolarHBondContact CG2-OG1 3.27Å; T350-G352 PolarHBondContact O-N 3.26Å; T350-Q353 PolarHBondContact N-O 2.87Å; T350-Q353 WeakPolarHBondContact O-CB 3.44Å; T350-Q353 PolarHBondContact O-N 2.94Å
351	K	80.9	Confident	91.1	Very high	208 Å²	208	63.3 Å²	63.3	90%	0.904	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.8	-177.1	-58.9	-178.3	178.1	-176.4	0	112.7	Q353	K351-Q353 PolarHBondContact O-N 3.09Å
352	G	78.8	Confident	90.6	Very high	37 Å²	37	63.4 Å²	63.4	38%	0.381	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-4.9	-176.7	0	0	0	0	0	115.5	T350	T350-G352 PolarHBondContact O-N 3.26Å
353	Q	85.3	Confident	89.4	Confident	67 Å²	67	68.7 Å²	68.7	31%	0.313	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.8	178	-61.2	-172.2	-30	0	0	111.9	E336 V349 T350 K351	E336-Q353 WeakPolarHBondContact OE1-CA 3.33Å; E336-Q353 WeakPolarHBondContact OE2-CG 3.42Å; V349-Q353 WeakPolarHBondContact CA-O 3.23Å; T350-Q353 PolarHBondContact N-O 2.87Å; T350-Q353 WeakPolarHBondContact O-CB 3.44Å; T350-Q353 PolarHBondContact O-N 2.94Å; K351-Q353 PolarHBondContact O-N 3.09Å
354	L	91.6	Very high	87.9	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.4	176.9	-174.9	68.5	0	0	0	110.7	W328 F333 C335 E336 L342 Y347 V349	W328-L354 HydrophobicContact CZ2-CB 4.24Å; F333-L354 HydrophobicContact CD1-CD2 4.31Å; F333-L354 HydrophobicContact CD2-CD2 3.41Å; F333-L354 VanDerWaalsContact CD2-CD2 3.41Å; F333-L354 HydrophobicContact CE1-CD2 4.35Å; F333-L354 HydrophobicContact CE2-CD1 3.78Å; F333-L354 HydrophobicContact CE2-CD2 3.45Å; F333-L354 VanDerWaalsContact CE2-CD2 3.45Å; F333-L354 HydrophobicContact CE2-CG 4.29Å; F333-L354 HydrophobicContact CG-CD2 3.87Å; F333-L354 HydrophobicContact CZ-CD1 3.84Å; F333-L354 HydrophobicContact CZ-CD2 3.94Å; C335-L354 CarbonylContact C-O 3.53Å; C335-L354 WeakPolarHBondContact CA-O 3.37Å; E336-L354 PolarHBondContact N-O 3.12Å; E336-L354 PolarHBondContact OE1-N 2.97Å; L342-L354 HydrophobicContact CD1-CD1 4.18Å; L342-L354 HydrophobicContact CD1-CD2 3.91Å; L342-L354 HydrophobicContact CD1-CG 3.65Å; Y347-L354 HydrophobicContact CD2-CD1 3.95Å; Y347-L354 HydrophobicContact CG-CD1 4.16Å; V349-L354 HydrophobicContact CG2-CD1 3.81Å
355	L	93.4	Very high	85.9	Confident	6 Å²	6	79.3 Å²	79.3	3%	0.031	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.3	-174.8	-62.2	173.2	0	0	0	112.2	E336 Y347 I348 C359 K363	E336-L355 HydrophobicContact CB-CD2 4.05Å; Y347-L355 CarbonylContact C-O 3.45Å; Y347-L355 WeakPolarHBondContact CA-O 3.24Å; I348-L355 PolarHBondContact N-O 2.87Å; I348-L355 PolarHBondContact O-N 3Å; L355-C359 HydrophobicContact CD2-CB 4.3Å; L355-K363 HydrophobicContact CD1-CD 3.93Å
356	C	95.3	Very high	85.5	Confident	14 Å²	14	76.4 Å²	76.4	10%	0.095	41%	0.412	C	S	.	.			trans	-75.5	160.2	164	76.1	0	0	0	0	110.4	C335 L342 T358 C359 S360	C335-C356 HydrophobicContact CB-CB 4.35Å; C335-C356 PolarHBondContact SG-N 3.01Å; L342-C356 HydrophobicContact CD2-CB 3.89Å; C356-T358 PolarHBondContact O-N 3.18Å; C356-C359 PolarHBondContact O-N 2.67Å; C356-C359 PolarHBondContact SG-N 3.38Å; C356-S360 WeakPolarHBondContact O-CB 3.26Å; C356-S360 PolarHBondContact O-N 3.13Å
357	P	94.7	Very high	85.1	Confident	48 Å²	48	76.6 Å²	76.6	31%	0.312	40%	0.403	S	S	.	.	H	α-helix	trans	-54	-38.1	179.2	-29	35.7	0	0	0	113.7	A346 K361	A346-P357 HydrophobicContact CB-CG 3.88Å; A346-P357 VanDerWaalsContact O-CD 3.31Å; A346-P357 WeakPolarHBondContact O-CD 3.4Å; P357-K361 WeakPolarHBondContact O-CG 3.47Å; P357-K361 PolarHBondContact O-N 3.01Å
358	T	94.7	Very high	84.5	Confident	104 Å²	104	75.7 Å²	75.7	64%	0.638	41%	0.405	S	S	*	.	H	α-helix	trans	-64.9	-52.7	178.5	-46.3	0	0	0	0	111.5	C356 S360 K361 S362	C356-T358 PolarHBondContact O-N 3.18Å; T358-S360 VanDerWaalsContact C-N 3.3Å; T358-S360 PolarHBondContact O-N 3.11Å; T358-K361 PolarHBondContact O-N 3.24Å; T358-S362 PolarHBondContact O-N 2.83Å; T358-S362 VanDerWaalsContact O-N 3.15Å; T358-S362 PolarHBondContact O-OG 3.34Å
359	C	93.9	Very high	84	Confident	24 Å²	24	76.7 Å²	76.7	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-66.7	-31.3	-180	-67.8	0	0	0	0	112.9	C335 L355 C356 S362 K363	C335-C359 VanDerWaalsContact SG-SG 3.69Å; L355-C359 HydrophobicContact CD2-CB 4.3Å; C356-C359 PolarHBondContact O-N 2.67Å; C356-C359 PolarHBondContact SG-N 3.38Å; C359-S362 PolarHBondContact O-N 3.17Å; C359-K363 PolarHBondContact O-N 3.33Å
360	S	92.3	Very high	83.6	Confident	7 Å²	7	79.4 Å²	79.4	5%	0.049	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-40.9	175.3	-172.9	0	0	0	0	111.8	I348 C356 T358	I348-S360 WeakPolarHBondContact CD1-OG 3.41Å; C356-S360 WeakPolarHBondContact O-CB 3.26Å; C356-S360 PolarHBondContact O-N 3.13Å; T358-S360 VanDerWaalsContact C-N 3.3Å; T358-S360 PolarHBondContact O-N 3.11Å
361	K	90.5	Very high	83.5	Confident	155 Å²	155	81.1 Å²	81.1	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-65	-45.6	175.1	-70.8	176	-177.9	-175.6	0	111.6	P357 T358 K363 R364	P357-K361 WeakPolarHBondContact O-CG 3.47Å; P357-K361 PolarHBondContact O-N 3.01Å; T358-K361 PolarHBondContact O-N 3.24Å; K361-K363 PolarHBondContact O-N 2.89Å; K361-R364 PolarHBondContact O-N 2.75Å; K361-R364 VanDerWaalsContact O-N 3.08Å
362	S	84.9	Confident	83.7	Confident	83 Å²	83	72.1 Å²	72.1	58%	0.58	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-24.5	-179.3	-56.2	0	0	0	0	114.7	T358 C359	T358-S362 PolarHBondContact O-N 2.83Å; T358-S362 VanDerWaalsContact O-N 3.15Å; T358-S362 PolarHBondContact O-OG 3.34Å; C359-S362 PolarHBondContact O-N 3.17Å
363	K	68.7	Low	84.1	Confident	112 Å²	112	74.8 Å²	74.8	49%	0.487	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.2	175.7	-86.3	-171.3	173.4	177.6	0	114.2	L355 C359 K361	L355-K363 HydrophobicContact CD1-CD 3.93Å; C359-K363 PolarHBondContact O-N 3.33Å; K361-K363 PolarHBondContact O-N 2.89Å
364	R	61.6	Low	84	Confident	194 Å²	194	75.4 Å²	75.4	73%	0.732	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-10.4	-179.9	-67.1	-177.1	-175.2	-143.4	1.6	112.8	K361	K361-R364 PolarHBondContact O-N 2.75Å; K361-R364 VanDerWaalsContact O-N 3.08Å
365	S	46.3	Very low	83.3	Confident	158 Å²	158	82.3 Å²	82.3	100%	1.105	44%	0.442	S	S	*	.			trans	-92.2	0	166.9	-62.4	0	0	0	0	109.2

Retrieved 365 of 365 residues in 1911.9 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).