A0A3Q0KMN1_SCHMA Loading...

Putative torsin A

AlphaFold DB , UniProt , Accession A0A3Q0KMN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 328 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.5	Very low	47.3	Very low	222 Å²	222	146.1 Å²	146.1	100%	1.094	70%	0.698	S	S	*	*				0	-18.1	0	-105.7	173	160.1	0	0	115.5
2	R	44	Very low	47.5	Very low	222 Å²	222	141 Å²	141	84%	0.838	70%	0.699	S	S	*	*			trans	-84.9	-20	-177.4	-75.3	-177.3	165.3	-178.1	-4.9	116.3
3	Y	42.9	Very low	47.7	Very low	212 Å²	212	137.6 Å²	137.6	83%	0.831	70%	0.697	S	S	*	*	H	α-helix	trans	-83.8	-29	-178.1	-79.9	-82	0	0	0	114.6
4	N	45.5	Very low	47.5	Very low	136 Å²	136	132.4 Å²	132.4	73%	0.727	68%	0.679	S	S	*	*	H	α-helix	trans	-77.5	-21.6	179.4	-76.4	-18.5	0	0	0	113.8
5	V	51	Low	47.7	Very low	90 Å²	90	135.4 Å²	135.4	55%	0.545	70%	0.697	S	S	.	*	H	α-helix	trans	-79.4	-30	179.6	-178.8	0	0	0	0	111.4	L9	V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 PolarHBondContact O-N 3.41Å
6	I	48.6	Very low	47.4	Very low	99 Å²	99	130.2 Å²	130.2	51%	0.508	68%	0.681	S	S	.	*	H	α-helix	trans	-74.7	-33.2	-179.4	-63.9	173.4	0	0	0	111.4	F8 L9 L10	I6-F8 VanDerWaalsContact C-N 3.33Å; I6-F8 PolarHBondContact O-N 3.41Å; I6-L9 PolarHBondContact O-N 3.44Å; I6-L10 HydrophobicContact CG2-CD1 4.13Å; I6-L10 PolarHBondContact O-N 2.77Å
7	L	48.7	Very low	47.3	Very low	118 Å²	118	132.2 Å²	132.2	62%	0.618	68%	0.683	S	S	*	*	H	α-helix	trans	-70.3	-29.9	178.1	-162.6	68.6	0	0	0	112.6
8	F	51.3	Low	47.5	Very low	166 Å²	166	130.4 Å²	130.4	73%	0.728	68%	0.681	S	S	*	*	H	α-helix	trans	-75.9	-30.9	177.2	-125.6	-88.4	0	0	0	112.8	I6	I6-F8 VanDerWaalsContact C-N 3.33Å; I6-F8 PolarHBondContact O-N 3.41Å
9	L	48.3	Very low	47.6	Very low	122 Å²	122	130.5 Å²	130.5	64%	0.639	68%	0.676	S	S	*	*	H	α-helix	trans	-78	-28.2	178.7	-82.3	158.5	0	0	0	113.1	V5 I6 L11	V5-L9 HydrophobicContact CG1-CD1 4.21Å; V5-L9 PolarHBondContact O-N 3.41Å; I6-L9 PolarHBondContact O-N 3.44Å; L9-L11 VanDerWaalsContact C-N 3.34Å
10	L	46.4	Very low	47.7	Very low	118 Å²	118	127.4 Å²	127.4	62%	0.618	66%	0.663	S	S	*	*	H	α-helix	trans	-76.5	-19	176.7	-78	164.5	0	0	0	113.9	I6	I6-L10 HydrophobicContact CG2-CD1 4.13Å; I6-L10 PolarHBondContact O-N 2.77Å
11	L	47.4	Very low	47.8	Very low	102 Å²	102	124.9 Å²	124.9	53%	0.534	66%	0.66	S	S	.	*	S	Bend	trans	-90.5	-12.1	177.3	-70.2	168.8	0	0	0	113.2	L9 V20	L9-L11 VanDerWaalsContact C-N 3.34Å; L11-V20 HydrophobicContact CD2-CG1 4.32Å
12	A	49	Very low	47.9	Very low	85 Å²	85	119.6 Å²	119.6	70%	0.702	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-7.2	179.1	0	0	0	0	0	113.8
13	S	50.3	Low	48.3	Very low	97 Å²	97	113.2 Å²	113.2	68%	0.678	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	12.8	-177.2	63	0	0	0	0	114.6
14	S	45.5	Very low	48.9	Very low	64 Å²	64	106.6 Å²	106.6	45%	0.448	60%	0.604	S	S	.	*			trans	-110.6	120.8	172.1	68.6	0	0	0	0	110.8	A16	S14-A16 PolarHBondContact O-N 3.08Å
15	D	50.4	Low	49.5	Very low	178 Å²	178	107 Å²	107	95%	0.952	60%	0.6	S	S	*	*			trans	-66.6	31.7	170.6	-69.1	-44.7	0	0	0	113.6
16	A	42.4	Very low	49.9	Very low	52 Å²	52	105.6 Å²	105.6	43%	0.43	59%	0.594	S	S	.	*			trans	-103.9	85.3	-177.7	0	0	0	0	0	110.8	S14	S14-A16 PolarHBondContact O-N 3.08Å
17	F	45.4	Very low	50.5	Low	165 Å²	165	105.4 Å²	105.4	72%	0.724	60%	0.597	S	S	*	*			trans	56	147	154.1	-77	-93.7	0	0	0	120	F19	F17-F19 HydrophobicContact CB-CD2 3.88Å; F17-F19 HydrophobicContact CB-CE2 4.41Å; F17-F19 HydrophobicContact CD1-CD2 4.45Å; F17-F19 HydrophobicContact CD1-CE2 4.14Å; F17-F19 PolarHBondContact O-N 2.99Å
18	P	51.3	Low	51.3	Low	99 Å²	99	102.6 Å²	102.6	64%	0.643	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	5	-176.6	28.5	-35.2	0	0	0	115.5
19	F	49.2	Very low	51.7	Low	133 Å²	133	98.6 Å²	98.6	58%	0.583	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-24.6	-178.6	-60.2	-71.7	0	0	0	113.6	F17 A21 L22 V23	F17-F19 HydrophobicContact CB-CD2 3.88Å; F17-F19 HydrophobicContact CB-CE2 4.41Å; F17-F19 HydrophobicContact CD1-CD2 4.45Å; F17-F19 HydrophobicContact CD1-CE2 4.14Å; F17-F19 PolarHBondContact O-N 2.99Å; F19-A21 VanDerWaalsContact C-N 3.27Å; F19-A21 PolarHBondContact O-N 3.44Å; F19-L22 HydrophobicContact CD1-CD1 4.39Å; F19-L22 PolarHBondContact O-N 3.07Å; F19-L22 VanDerWaalsContact O-N 3.11Å; F19-V23 PolarHBondContact O-N 2.66Å
20	V	49.9	Very low	52.5	Low	68 Å²	68	96.5 Å²	96.5	41%	0.412	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.7	-25.5	-176.5	-177.5	0	0	0	0	112.4	L11 P24	L11-V20 HydrophobicContact CD2-CG1 4.32Å; V20-P24 WeakPolarHBondContact O-CD 3.37Å; V20-P24 WeakPolarHBondContact O-CG 3.39Å
21	A	50	Low	53.4	Low	74 Å²	74	92.8 Å²	92.8	61%	0.612	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-26.4	173.4	0	0	0	0	0	113.1	F19	F19-A21 VanDerWaalsContact C-N 3.27Å; F19-A21 PolarHBondContact O-N 3.44Å
22	L	49.4	Very low	54.5	Low	111 Å²	111	92 Å²	92	58%	0.581	56%	0.558	S	S	*	*	H	α-helix	trans	-77.6	-32	-179.8	-71.7	169	0	0	0	112.5	F19 S26	F19-L22 HydrophobicContact CD1-CD1 4.39Å; F19-L22 PolarHBondContact O-N 3.07Å; F19-L22 VanDerWaalsContact O-N 3.11Å; L22-S26 VanDerWaalsContact O-CB 3.28Å; L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 PolarHBondContact O-OG 3.17Å
23	V	52	Low	55.4	Low	88 Å²	88	93.9 Å²	93.9	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-63.4	-52.5	-179.3	179.6	0	0	0	0	113.1	F19 F25 S26 V27	F19-V23 PolarHBondContact O-N 2.66Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 3.23Å; V23-S26 PolarHBondContact O-N 3.35Å; V23-S26 PolarHBondContact O-OG 3.34Å; V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.47Å
24	P	55.2	Low	56.5	Low	73 Å²	73	97.3 Å²	97.3	47%	0.474	55%	0.553	S	S	.	*	H	α-helix	trans	-68.1	-31.9	179.9	25.4	-31.5	0	0	0	112.3	V20 A28	V20-P24 WeakPolarHBondContact O-CD 3.37Å; V20-P24 WeakPolarHBondContact O-CG 3.39Å; P24-A28 VanDerWaalsContact O-CB 3.29Å; P24-A28 WeakPolarHBondContact O-CB 3.38Å; P24-A28 PolarHBondContact O-N 3.33Å
25	F	57.2	Low	57.6	Low	145 Å²	145	101 Å²	101	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-68.2	-44.7	176	-133.3	-91.8	0	0	0	111.3	V23 A28 I29	V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 3.23Å; F25-A28 PolarHBondContact O-N 3.2Å; F25-I29 HydrophobicContact CD1-CD1 3.58Å; F25-I29 HydrophobicContact CD1-CG1 4.23Å; F25-I29 HydrophobicContact CE1-CD1 3.97Å; F25-I29 WeakPolarHBondContact O-CB 3.47Å; F25-I29 VanDerWaalsContact O-CG1 3.29Å; F25-I29 WeakPolarHBondContact O-CG1 3.21Å; F25-I29 PolarHBondContact O-N 3.42Å
26	S	59.5	Low	58.5	Low	60 Å²	60	100.2 Å²	100.2	42%	0.42	55%	0.546	S	S	.	.	H	α-helix	trans	-63.4	-45.4	176.8	63.7	0	0	0	0	111.3	L22 V23 A28 I29 T30	L22-S26 VanDerWaalsContact O-CB 3.28Å; L22-S26 WeakPolarHBondContact O-CB 3.44Å; L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 PolarHBondContact O-OG 3.17Å; V23-S26 PolarHBondContact O-N 3.35Å; V23-S26 PolarHBondContact O-OG 3.34Å; S26-A28 PolarHBondContact O-N 3.04Å; S26-I29 PolarHBondContact O-N 2.91Å; S26-T30 WeakPolarHBondContact O-CB 3.4Å; S26-T30 PolarHBondContact O-N 3.45Å; S26-T30 PolarHBondContact O-OG1 3.11Å
27	V	61.5	Low	59.9	Low	96 Å²	96	99.8 Å²	99.8	58%	0.582	55%	0.547	S	S	*	.	H	α-helix	trans	-62	-41	176.1	175.6	0	0	0	0	112.2	V23 G31	V23-V27 WeakPolarHBondContact O-CG2 3.5Å; V23-V27 PolarHBondContact O-N 3.47Å; V27-G31 PolarHBondContact O-N 2.8Å
28	A	64.8	Low	61.2	Low	58 Å²	58	95.5 Å²	95.5	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-45.1	177.9	0	0	0	0	0	112.1	P24 F25 S26 G31 V32	P24-A28 VanDerWaalsContact O-CB 3.29Å; P24-A28 WeakPolarHBondContact O-CB 3.38Å; P24-A28 PolarHBondContact O-N 3.33Å; F25-A28 PolarHBondContact O-N 3.2Å; S26-A28 PolarHBondContact O-N 3.04Å; A28-G31 PolarHBondContact O-N 3.42Å; A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 3.09Å
29	I	61.5	Low	62.3	Low	83 Å²	83	94.6 Å²	94.6	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-62.9	-47.2	177.2	-69.5	170.8	0	0	0	110.3	F25 S26 G31 V32 M33	F25-I29 HydrophobicContact CD1-CD1 3.58Å; F25-I29 HydrophobicContact CD1-CG1 4.23Å; F25-I29 HydrophobicContact CE1-CD1 3.97Å; F25-I29 WeakPolarHBondContact O-CB 3.47Å; F25-I29 VanDerWaalsContact O-CG1 3.29Å; F25-I29 WeakPolarHBondContact O-CG1 3.21Å; F25-I29 PolarHBondContact O-N 3.42Å; S26-I29 PolarHBondContact O-N 2.91Å; I29-G31 VanDerWaalsContact C-N 3.3Å; I29-G31 PolarHBondContact O-N 3.41Å; I29-V32 PolarHBondContact O-N 3.09Å; I29-M33 HydrophobicContact CG2-CE 4.05Å; I29-M33 HydrophobicContact CG2-CG 4.44Å; I29-M33 WeakPolarHBondContact O-CG 3.45Å; I29-M33 PolarHBondContact O-N 3.12Å
30	T	63.9	Low	63.7	Low	78 Å²	78	89.8 Å²	89.8	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-43	177.7	-43.3	0	0	0	0	110.3	S26 V32 M33 Y34	S26-T30 WeakPolarHBondContact O-CB 3.4Å; S26-T30 PolarHBondContact O-N 3.45Å; S26-T30 PolarHBondContact O-OG1 3.11Å; T30-V32 PolarHBondContact O-N 3.33Å; T30-M33 PolarHBondContact O-N 3.47Å; T30-Y34 WeakPolarHBondContact O-CB 3.34Å; T30-Y34 PolarHBondContact O-N 2.81Å
31	G	66.3	Low	64.8	Low	40 Å²	40	94.8 Å²	94.8	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-41.5	176.8	0	0	0	0	0	113.8	V27 A28 I29 K35	V27-G31 PolarHBondContact O-N 2.8Å; A28-G31 PolarHBondContact O-N 3.42Å; I29-G31 VanDerWaalsContact C-N 3.3Å; I29-G31 PolarHBondContact O-N 3.41Å; G31-K35 VanDerWaalsContact O-CB 3.27Å; G31-K35 WeakPolarHBondContact O-CB 3.4Å; G31-K35 PolarHBondContact O-N 3.43Å
32	V	70.5	Confident	66.1	Low	85 Å²	85	96.7 Å²	96.7	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-46	176.4	171.7	0	0	0	0	111.1	A28 I29 T30 Y34 K35 Y36	A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 3.09Å; I29-V32 PolarHBondContact O-N 3.09Å; T30-V32 PolarHBondContact O-N 3.33Å; V32-Y34 VanDerWaalsContact C-N 3.35Å; V32-Y34 PolarHBondContact O-N 3.36Å; V32-K35 PolarHBondContact O-N 2.86Å; V32-Y36 HydrophobicContact CG1-CD2 3.98Å; V32-Y36 HydrophobicContact CG1-CE2 4.32Å; V32-Y36 PolarHBondContact O-N 3.43Å
33	M	67.7	Low	67.6	Low	125 Å²	125	98.6 Å²	98.6	62%	0.616	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-41.4	176.3	-71.7	-160.6	-59.7	0	0	111.7	I29 T30 Y36 G37	I29-M33 HydrophobicContact CG2-CE 4.05Å; I29-M33 HydrophobicContact CG2-CG 4.44Å; I29-M33 WeakPolarHBondContact O-CG 3.45Å; I29-M33 PolarHBondContact O-N 3.12Å; T30-M33 PolarHBondContact O-N 3.47Å; M33-Y36 PolarHBondContact O-N 2.91Å; M33-G37 PolarHBondContact O-N 2.9Å
34	Y	72.1	Confident	69.4	Low	168 Å²	168	95.8 Å²	95.8	66%	0.659	50%	0.5	S	S	*	.	H	α-helix	trans	-65.4	-40.9	177.7	-144.4	-98.2	0	0	0	110.8	T30 V32 G37 L38	T30-Y34 WeakPolarHBondContact O-CB 3.34Å; T30-Y34 PolarHBondContact O-N 2.81Å; V32-Y34 VanDerWaalsContact C-N 3.35Å; V32-Y34 PolarHBondContact O-N 3.36Å; Y34-G37 PolarHBondContact O-N 3.38Å; Y34-L38 HydrophobicContact CD1-CD1 3.43Å; Y34-L38 VanDerWaalsContact CD1-CD1 3.43Å; Y34-L38 HydrophobicContact CE1-CD1 3.55Å; Y34-L38 VanDerWaalsContact O-CB 3.29Å; Y34-L38 WeakPolarHBondContact O-CB 3.34Å; Y34-L38 PolarHBondContact O-N 2.91Å
35	K	69.4	Low	71.1	Confident	141 Å²	141	93.7 Å²	93.7	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-65.5	-44.2	175.1	-175.8	-178.6	177.5	-176.4	0	112.3	G31 V32 L38 N39	G31-K35 VanDerWaalsContact O-CB 3.27Å; G31-K35 WeakPolarHBondContact O-CB 3.4Å; G31-K35 PolarHBondContact O-N 3.43Å; V32-K35 PolarHBondContact O-N 2.86Å; K35-L38 PolarHBondContact O-N 3.38Å; K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.5Å; K35-N39 PolarHBondContact O-N 2.92Å
36	Y	68.9	Low	72.8	Confident	163 Å²	163	88.2 Å²	88.2	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-62.5	-46.6	174.6	-101.4	-84.8	0	0	0	110.9	V32 M33 L38 N39 C40	V32-Y36 HydrophobicContact CG1-CD2 3.98Å; V32-Y36 HydrophobicContact CG1-CE2 4.32Å; V32-Y36 PolarHBondContact O-N 3.43Å; M33-Y36 PolarHBondContact O-N 2.91Å; Y36-L38 PolarHBondContact O-N 2.76Å; Y36-N39 PolarHBondContact O-N 3.38Å; Y36-C40 WeakPolarHBondContact O-CB 3.35Å; Y36-C40 PolarHBondContact O-N 2.94Å; Y36-C40 PolarHBondContact O-SG 3.28Å
37	G	71.6	Confident	74.2	Confident	43 Å²	43	90.9 Å²	90.9	44%	0.443	49%	0.485	S	S	.	.	H	α-helix	trans	-59.4	-45.4	176	0	0	0	0	0	112.7	M33 Y34 C40 F41	M33-G37 PolarHBondContact O-N 2.9Å; Y34-G37 PolarHBondContact O-N 3.38Å; G37-C40 PolarHBondContact O-N 2.82Å; G37-F41 VanDerWaalsContact O-CB 3.25Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 2.97Å
38	L	73.2	Confident	75.5	Confident	75 Å²	75	89 Å²	89	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-65.7	-42.9	175.7	-103.1	146.8	0	0	0	112.5	Y34 K35 Y36 C40 F41 L42	Y34-L38 HydrophobicContact CD1-CD1 3.43Å; Y34-L38 VanDerWaalsContact CD1-CD1 3.43Å; Y34-L38 HydrophobicContact CE1-CD1 3.55Å; Y34-L38 VanDerWaalsContact O-CB 3.29Å; Y34-L38 WeakPolarHBondContact O-CB 3.34Å; Y34-L38 PolarHBondContact O-N 2.91Å; K35-L38 PolarHBondContact O-N 3.38Å; Y36-L38 PolarHBondContact O-N 2.76Å; L38-C40 VanDerWaalsContact C-N 3.31Å; L38-C40 PolarHBondContact O-N 3.19Å; L38-F41 PolarHBondContact O-N 3.22Å; L38-L42 HydrophobicContact CD2-CD1 4.22Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.77Å
39	N	74.7	Confident	76.9	Confident	79 Å²	79	86.2 Å²	86.2	42%	0.422	45%	0.454	S	S	.	.	H	α-helix	trans	-62.2	-42.5	175.2	-90.9	4.1	0	0	0	110.7	K35 Y36 F41 L42 Y43	K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.5Å; K35-N39 PolarHBondContact O-N 2.92Å; Y36-N39 PolarHBondContact O-N 3.38Å; N39-F41 VanDerWaalsContact C-N 3.26Å; N39-F41 PolarHBondContact O-N 3.16Å; N39-L42 PolarHBondContact O-N 3.12Å; N39-Y43 CarbonylContact O-C 3.58Å; N39-Y43 WeakPolarHBondContact O-CA 3.4Å; N39-Y43 WeakPolarHBondContact O-CB 3.43Å; N39-Y43 PolarHBondContact O-N 3.14Å
40	C	78.9	Confident	78.4	Confident	33 Å²	33	84.7 Å²	84.7	22%	0.223	45%	0.448	C	S	.	.	H	α-helix	trans	-72.1	-20.4	177.4	-60.8	0	0	0	0	113.6	Y36 G37 L38 Y43 C45	Y36-C40 WeakPolarHBondContact O-CB 3.35Å; Y36-C40 PolarHBondContact O-N 2.94Å; Y36-C40 PolarHBondContact O-SG 3.28Å; G37-C40 PolarHBondContact O-N 2.82Å; L38-C40 VanDerWaalsContact C-N 3.31Å; L38-C40 PolarHBondContact O-N 3.19Å; C40-Y43 CarbonylContact C-O 3.54Å; C40-Y43 WeakPolarHBondContact CA-O 3.46Å; C40-C45 WeakPolarHBondContact CA-SG 3.38Å; C40-C45 HydrophobicContact CB-CB 3.63Å; C40-C45 WeakPolarHBondContact CB-SG 3.32Å; C40-C45 WeakPolarHBondContact SG-CB 3.27Å; C40-C45 CovalentContact SG-SG 2.03Å; C40-C45 PolarHBondContact SG-SG 3.45Å
41	F	72.7	Confident	79.7	Confident	173 Å²	173	86.7 Å²	86.7	76%	0.759	45%	0.451	S	S	*	.	H	α-helix	trans	-80.4	-41.1	172.9	-179	-98	0	0	0	111.8	G37 L38 N39	G37-F41 VanDerWaalsContact O-CB 3.25Å; G37-F41 WeakPolarHBondContact O-CB 3.46Å; G37-F41 PolarHBondContact O-N 2.97Å; L38-F41 PolarHBondContact O-N 3.22Å; N39-F41 VanDerWaalsContact C-N 3.26Å; N39-F41 PolarHBondContact O-N 3.16Å
42	L	76.8	Confident	81.1	Confident	113 Å²	113	86.8 Å²	86.8	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-81	-32.9	178.9	-67.7	173.6	0	0	0	112.8	L38 N39	L38-L42 HydrophobicContact CD2-CD1 4.22Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.77Å; N39-L42 PolarHBondContact O-N 3.12Å
43	Y	80.5	Confident	82.1	Confident	152 Å²	152	86 Å²	86	60%	0.596	43%	0.434	S	S	*	.	S	Bend	trans	-130	135.7	179.5	-65.5	-82.2	0	0	0	109.2	N39 C40 C45	N39-Y43 CarbonylContact O-C 3.58Å; N39-Y43 WeakPolarHBondContact O-CA 3.4Å; N39-Y43 WeakPolarHBondContact O-CB 3.43Å; N39-Y43 PolarHBondContact O-N 3.14Å; C40-Y43 CarbonylContact C-O 3.54Å; C40-Y43 WeakPolarHBondContact CA-O 3.46Å; Y43-C45 PolarHBondContact O-N 3.21Å; Y43-C45 VanDerWaalsContact O-N 3.17Å
44	E	89.8	Confident	83.4	Confident	28 Å²	28	84.8 Å²	84.8	13%	0.131	43%	0.425	C	S	.	.			trans	-64.2	120.2	179.3	-172.1	-176.7	-147.6	0	0	111	A49 L118 S122 R123 F124	E44-A49 HydrophobicContact CG-CB 3.75Å; E44-A49 WeakPolarHBondContact OE1-CB 3.06Å; E44-L118 HydrophobicContact CB-CD1 4.22Å; E44-L118 HydrophobicContact CG-CD1 4.12Å; E44-L118 WeakPolarHBondContact OE1-CG 3.49Å; E44-S122 PolarHBondContact OE1-OG 3.37Å; E44-S122 VanDerWaalsContact OE1-OG 3.12Å; E44-S122 WeakPolarHBondContact OE2-CA 3.25Å; E44-S122 VanDerWaalsContact OE2-CB 3.31Å; E44-S122 WeakPolarHBondContact OE2-CB 3.46Å; E44-S122 PolarHBondContact OE2-OG 2.92Å; E44-R123 HydrophobicContact CB-CG 4.28Å; E44-R123 WeakPolarHBondContact O-CD 3.5Å; E44-R123 PolarHBondContact OE2-N 2.84Å; E44-F124 HydrophobicContact CG-CD2 4.43Å; E44-F124 HydrophobicContact CG-CE2 3.92Å; E44-F124 WeakPolarHBondContact O-CZ 3.29Å
45	C	91.9	Very high	84.5	Confident	30 Å²	30	80.8 Å²	80.8	20%	0.203	42%	0.418	C	S	.	.			trans	-93.9	143.4	173.9	-74.4	0	0	0	0	111.3	C40 Y43 S47 S48 A49	C40-C45 WeakPolarHBondContact CA-SG 3.38Å; C40-C45 HydrophobicContact CB-CB 3.63Å; C40-C45 WeakPolarHBondContact CB-SG 3.32Å; C40-C45 WeakPolarHBondContact SG-CB 3.27Å; C40-C45 CovalentContact SG-SG 2.03Å; C40-C45 PolarHBondContact SG-SG 3.45Å; Y43-C45 PolarHBondContact O-N 3.21Å; Y43-C45 VanDerWaalsContact O-N 3.17Å; C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 3.11Å; C45-S48 PolarHBondContact O-N 3.2Å; C45-S48 VanDerWaalsContact O-N 3.13Å; C45-S48 PolarHBondContact O-OG 2.94Å; C45-A49 VanDerWaalsContact O-CB 3.31Å; C45-A49 WeakPolarHBondContact O-CB 3.4Å; C45-A49 PolarHBondContact O-N 2.57Å
46	C	93.2	Very high	85.7	Confident	30 Å²	30	76 Å²	76	20%	0.203	40%	0.403	C	S	.	.	H	α-helix	trans	-55.8	-43.5	-178.7	-175.1	0	0	0	0	113.1	S48 A49 V50 F124 C158	C46-S48 PolarHBondContact O-N 3.05Å; C46-A49 PolarHBondContact O-N 2.69Å; C46-A49 VanDerWaalsContact O-N 3.15Å; C46-V50 PolarHBondContact O-N 3.24Å; C46-F124 HydrophobicContact CB-CE2 4.24Å; C46-F124 HydrophobicContact CB-CZ 4.06Å; C46-C158 HydrophobicContact CB-CB 3.52Å; C46-C158 WeakPolarHBondContact CB-SG 3.48Å; C46-C158 WeakPolarHBondContact SG-CA 3.49Å; C46-C158 WeakPolarHBondContact SG-CB 3.38Å; C46-C158 CovalentContact SG-SG 2.05Å; C46-C158 PolarHBondContact SG-SG 2.83Å
47	S	87.7	Confident	87.1	Confident	115 Å²	115	68.3 Å²	68.3	80%	0.804	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-27.4	-178.7	56	0	0	0	0	114.2	C45	C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 3.11Å
48	S	90	Very high	88.3	Confident	56 Å²	56	70.8 Å²	70.8	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-100.9	-14.8	177.8	52.3	0	0	0	0	113.9	C45 C46	C45-S48 PolarHBondContact O-N 3.2Å; C45-S48 VanDerWaalsContact O-N 3.13Å; C45-S48 PolarHBondContact O-OG 2.94Å; C46-S48 PolarHBondContact O-N 3.05Å
49	A	93.2	Very high	89.4	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-79.7	-39.9	-175.3	0	0	0	0	0	112.2	E44 C45 C46 H51 L116 R117 F124	E44-A49 HydrophobicContact CG-CB 3.75Å; E44-A49 WeakPolarHBondContact OE1-CB 3.06Å; C45-A49 VanDerWaalsContact O-CB 3.31Å; C45-A49 WeakPolarHBondContact O-CB 3.4Å; C45-A49 PolarHBondContact O-N 2.57Å; C46-A49 PolarHBondContact O-N 2.69Å; C46-A49 VanDerWaalsContact O-N 3.15Å; A49-H51 PolarHBondContact O-N 3.36Å; A49-L116 CarbonylContact O-C 3.54Å; A49-L116 WeakPolarHBondContact O-CA 3.46Å; A49-R117 PolarHBondContact O-N 2.92Å; A49-F124 HydrophobicContact CB-CD2 3.56Å; A49-F124 HydrophobicContact CB-CE2 3.53Å
50	V	93.3	Very high	90.5	Very high	50 Å²	50	69.7 Å²	69.7	30%	0.303	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-77.6	110.8	-177.6	-174.4	0	0	0	0	109.6	C46 V115 L116 T160	C46-V50 PolarHBondContact O-N 3.24Å; V50-V115 CarbonylContact C-O 3.53Å; V50-V115 WeakPolarHBondContact CA-O 3.32Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å; V50-T160 HydrophobicContact CG1-CG2 4.1Å; V50-T160 HydrophobicContact CG2-CG2 4.02Å
51	H	92.4	Very high	91.3	Very high	120 Å²	120	68.3 Å²	68.3	56%	0.556	36%	0.355	S	S	*	.			trans	-136.6	100.3	174.4	-178.4	37.7	0	0	0	109.6	A49 V115	A49-H51 PolarHBondContact O-N 3.36Å; H51-V115 PolarHBondContact N-O 3.1Å
52	F	94.4	Very high	92.4	Very high	43 Å²	43	63.7 Å²	63.7	19%	0.189	34%	0.344	C	S	.	.			trans	-98.8	123.6	179.8	-174.9	-117.4	0	0	0	111.9	K54 L57 L79 V80 I83 N114 V115	F52-K54 HydrophobicContact CE1-CB 4.31Å; F52-L57 HydrophobicContact CE2-CD2 3.93Å; F52-L57 HydrophobicContact CZ-CD2 3.96Å; F52-L79 HydrophobicContact CE2-CD2 3.95Å; F52-L79 HydrophobicContact CE2-CG 3.98Å; F52-L79 HydrophobicContact CZ-CG 4.33Å; F52-V80 HydrophobicContact CE1-CG2 4.18Å; F52-V80 HydrophobicContact CZ-CG2 3.84Å; F52-I83 HydrophobicContact CB-CG2 3.74Å; F52-I83 HydrophobicContact CD1-CB 4.03Å; F52-I83 HydrophobicContact CD1-CG2 3.63Å; F52-I83 HydrophobicContact CD2-CD1 3.73Å; F52-I83 HydrophobicContact CD2-CG2 4.45Å; F52-I83 HydrophobicContact CE1-CB 4.25Å; F52-I83 HydrophobicContact CE1-CG2 4.34Å; F52-I83 HydrophobicContact CE2-CD1 4.01Å; F52-I83 HydrophobicContact CG-CB 4.26Å; F52-I83 HydrophobicContact CG-CD1 4.03Å; F52-I83 HydrophobicContact CG-CG2 3.69Å; F52-N114 WeakPolarHBondContact CA-O 3.18Å; F52-N114 WeakPolarHBondContact CD2-O 3.31Å; F52-V115 HydrophobicContact CD2-CG2 4Å; F52-V115 HydrophobicContact CE2-CG2 4.42Å
53	N	91.4	Very high	93.2	Very high	69 Å²	69	63.4 Å²	63.4	37%	0.369	34%	0.344	S	S	.	.			trans	-122.7	107.1	173.1	-177.3	-24.1	0	0	0	110.1	T55 S56 L57	N53-T55 VanDerWaalsContact C-N 3.33Å; N53-T55 PolarHBondContact O-N 3.44Å; N53-T55 PolarHBondContact OD1-N 2.83Å; N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 PolarHBondContact OD1-N 3.17Å; N53-L57 PolarHBondContact O-N 3.37Å
54	K	94.6	Very high	93.8	Very high	99 Å²	99	59.9 Å²	59.9	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-40.7	-179.3	177.1	174.5	175.2	-179.4	0	112.9	F52 L57 E58 Y76 V80	F52-K54 HydrophobicContact CE1-CB 4.31Å; K54-L57 PolarHBondContact O-N 3.49Å; K54-E58 PolarHBondContact O-N 2.98Å; K54-Y76 WeakPolarHBondContact CE-OH 3.4Å; K54-Y76 HydrophobicContact CG-CE2 3.8Å; K54-V80 HydrophobicContact CB-CG2 4.44Å; K54-V80 HydrophobicContact CD-CG1 3.87Å; K54-V80 HydrophobicContact CD-CG2 3.95Å; K54-V80 HydrophobicContact CG-CG2 3.77Å
55	T	95.6	Very high	94.2	Very high	83 Å²	83	59.2 Å²	59.2	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-41.3	-179.9	-55	0	0	0	0	111.2	N53 L57 E58 Q59	N53-T55 VanDerWaalsContact C-N 3.33Å; N53-T55 PolarHBondContact O-N 3.44Å; N53-T55 PolarHBondContact OD1-N 2.83Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-E58 PolarHBondContact O-N 2.95Å; T55-Q59 WeakPolarHBondContact O-CG 3.38Å; T55-Q59 PolarHBondContact O-N 3.4Å
56	S	95.8	Very high	94.5	Very high	42 Å²	42	59 Å²	59	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-43.3	174.7	-177.4	0	0	0	0	111.4	N53 E58 Q59 S60 N114	N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 PolarHBondContact OD1-N 3.17Å; S56-E58 PolarHBondContact O-N 3.39Å; S56-Q59 PolarHBondContact O-N 3.02Å; S56-S60 PolarHBondContact O-N 2.66Å; S56-N114 VanDerWaalsContact C-OD1 3.27Å; S56-N114 VanDerWaalsContact CB-OD1 3.24Å; S56-N114 WeakPolarHBondContact CB-OD1 3.37Å; S56-N114 PolarHBondContact OG-OD1 3.35Å
57	L	97	Very high	94.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-47.1	175.9	177.1	70.6	0	0	0	111.7	F52 N53 K54 T55 Q59 S60 L61 Y76 L79 V80 I110 N114	F52-L57 HydrophobicContact CE2-CD2 3.93Å; F52-L57 HydrophobicContact CZ-CD2 3.96Å; N53-L57 PolarHBondContact O-N 3.37Å; K54-L57 PolarHBondContact O-N 3.49Å; T55-L57 VanDerWaalsContact C-N 3.34Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; L57-Q59 PolarHBondContact O-N 3.49Å; L57-S60 PolarHBondContact O-N 2.88Å; L57-L61 HydrophobicContact CD1-CD1 3.94Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 3.91Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.09Å; L57-Y76 HydrophobicContact CD2-CD2 3.91Å; L57-Y76 HydrophobicContact CG-CD2 4.27Å; L57-L79 HydrophobicContact CD1-CD2 4Å; L57-L79 HydrophobicContact CD2-CB 4.3Å; L57-L79 HydrophobicContact CD2-CD2 3.75Å; L57-L79 HydrophobicContact CD2-CG 4.37Å; L57-V80 HydrophobicContact CD2-CG2 4.34Å; L57-I110 HydrophobicContact CD1-CG2 4Å; L57-N114 HydrophobicContact CB-CB 4.27Å; L57-N114 HydrophobicContact CD1-CB 4.1Å; L57-N114 PolarHBondContact N-OD1 3.3Å
58	E	97	Very high	95.2	Very high	96 Å²	96	52.8 Å²	52.8	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-47.5	179.4	-162	165.6	175.8	0	0	111.3	K54 T55 S56 L61 S62 Y76	K54-E58 PolarHBondContact O-N 2.98Å; T55-E58 PolarHBondContact O-N 2.95Å; S56-E58 PolarHBondContact O-N 3.39Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-S62 WeakPolarHBondContact O-CB 3.4Å; E58-S62 PolarHBondContact O-N 2.69Å; E58-S62 PolarHBondContact O-OG 3.24Å; E58-Y76 HydrophobicContact CB-CD2 4.15Å; E58-Y76 HydrophobicContact CB-CE2 3.64Å; E58-Y76 HydrophobicContact CG-CD2 4.37Å; E58-Y76 HydrophobicContact CG-CE2 3.9Å; E58-Y76 PolarHBondContact OE2-OH 3.42Å
59	Q	97	Very high	95.5	Very high	111 Å²	111	52.7 Å²	52.7	52%	0.519	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-47.4	178.5	-73.4	175	-17.6	0	0	112.1	T55 S56 L57 L61 S62 D63	T55-Q59 WeakPolarHBondContact O-CG 3.38Å; T55-Q59 PolarHBondContact O-N 3.4Å; S56-Q59 PolarHBondContact O-N 3.02Å; L57-Q59 VanDerWaalsContact C-N 3.34Å; L57-Q59 PolarHBondContact O-N 3.49Å; Q59-L61 VanDerWaalsContact C-N 3.26Å; Q59-L61 PolarHBondContact O-N 3.17Å; Q59-S62 WeakPolarHBondContact CA-OG 3.45Å; Q59-S62 PolarHBondContact O-N 3.2Å; Q59-S62 PolarHBondContact O-OG 3.47Å; Q59-D63 VanDerWaalsContact O-CB 3.27Å; Q59-D63 WeakPolarHBondContact O-CB 3.5Å; Q59-D63 PolarHBondContact O-N 3.32Å
60	S	96.5	Very high	95.7	Very high	20 Å²	20	52.7 Å²	52.7	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-37.1	176.7	-81.6	0	0	0	0	112.3	S56 L57 E64	S56-S60 PolarHBondContact O-N 2.66Å; L57-S60 PolarHBondContact O-N 2.88Å; S60-E64 WeakPolarHBondContact CA-OE1 3.28Å; S60-E64 WeakPolarHBondContact CB-OE1 3.46Å; S60-E64 VanDerWaalsContact O-CB 3.31Å; S60-E64 WeakPolarHBondContact O-CB 2.9Å; S60-E64 PolarHBondContact O-N 3.27Å; S60-E64 PolarHBondContact OG-OE1 2.84Å
61	L	97.5	Very high	95.9	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-75.1	-34.2	177	-69.6	172.3	0	0	0	112.9	L57 E58 Q59 L65 A72 V75 V107 I110	L57-L61 HydrophobicContact CD1-CD1 3.94Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 3.91Å; L57-L61 WeakPolarHBondContact O-CB 3.39Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.34Å; L57-L61 PolarHBondContact O-N 3.09Å; E58-L61 PolarHBondContact O-N 2.96Å; Q59-L61 VanDerWaalsContact C-N 3.26Å; Q59-L61 PolarHBondContact O-N 3.17Å; L61-L65 HydrophobicContact CD2-CD2 4.31Å; L61-L65 WeakPolarHBondContact O-CB 2.78Å; L61-A72 HydrophobicContact CB-CB 4.16Å; L61-V75 HydrophobicContact CD1-CB 4.45Å; L61-V75 HydrophobicContact CD1-CG1 4.16Å; L61-V75 HydrophobicContact CD2-CG1 4.46Å; L61-V107 HydrophobicContact CD2-CG1 4.26Å; L61-I110 HydrophobicContact CD2-CD1 4.34Å; L61-I110 HydrophobicContact CD2-CG2 4.01Å; L61-I110 HydrophobicContact CG-CG2 4.17Å
62	S	95	Very high	96.2	Very high	75 Å²	75	45.5 Å²	45.5	52%	0.524	24%	0.244	S	C	.	.	H	α-helix	trans	-79.2	-40.5	-179.6	62.7	0	0	0	0	113	E58 Q59	E58-S62 WeakPolarHBondContact O-CB 3.4Å; E58-S62 PolarHBondContact O-N 2.69Å; E58-S62 PolarHBondContact O-OG 3.24Å; Q59-S62 WeakPolarHBondContact CA-OG 3.45Å; Q59-S62 PolarHBondContact O-N 3.2Å; Q59-S62 PolarHBondContact O-OG 3.47Å
63	D	92.8	Very high	96.3	Very high	108 Å²	108	48.3 Å²	48.3	58%	0.578	26%	0.258	S	S	*	.	H	α-helix	trans	-93	-32	-166.2	-62.3	-3.5	0	0	0	111.7	Q59 H66	Q59-D63 VanDerWaalsContact O-CB 3.27Å; Q59-D63 WeakPolarHBondContact O-CB 3.5Å; Q59-D63 PolarHBondContact O-N 3.32Å; D63-H66 PolarHBondContact O-CE1 2.75Å
64	E	94	Very high	96.5	Very high	78 Å²	78	47.5 Å²	47.5	36%	0.364	25%	0.25	S	S	.	.	S	Bend	trans	-103.7	-21.2	-173	-47.2	-178.3	-117.1	0	0	113.6	S60 F106	S60-E64 WeakPolarHBondContact CA-OE1 3.28Å; S60-E64 WeakPolarHBondContact CB-OE1 3.46Å; S60-E64 VanDerWaalsContact O-CB 3.31Å; S60-E64 WeakPolarHBondContact O-CB 2.9Å; S60-E64 PolarHBondContact O-N 3.27Å; S60-E64 PolarHBondContact OG-OE1 2.84Å; E64-F106 HydrophobicContact CB-CE1 3.79Å; E64-F106 HydrophobicContact CB-CZ 3.74Å; E64-F106 WeakPolarHBondContact O-CE1 3.27Å
65	L	97.6	Very high	96.7	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	23%	0.23	C	C	.	.			trans	-100.2	95.8	-175.7	-173.7	68.1	0	0	0	112.4	L61 Q68 A72 F106 V107	L61-L65 HydrophobicContact CD2-CD2 4.31Å; L61-L65 WeakPolarHBondContact O-CB 2.78Å; L65-Q68 HydrophobicContact CD1-CB 4.23Å; L65-Q68 HydrophobicContact CD1-CG 3.94Å; L65-Q68 HydrophobicContact CD2-CB 3.65Å; L65-Q68 HydrophobicContact CD2-CG 4.29Å; L65-Q68 HydrophobicContact CG-CB 3.74Å; L65-Q68 HydrophobicContact CG-CG 3.97Å; L65-A72 HydrophobicContact CD2-CB 4.23Å; L65-F106 HydrophobicContact CD1-CD1 4.13Å; L65-V107 HydrophobicContact CD1-CG2 3.49Å; L65-V107 VanDerWaalsContact CD1-CG2 3.49Å; L65-V107 HydrophobicContact CD2-CG2 3.44Å; L65-V107 VanDerWaalsContact CD2-CG2 3.44Å; L65-V107 HydrophobicContact CG-CG2 4.06Å
66	H	97.7	Very high	96.8	Very high	24 Å²	24	40.2 Å²	40.2	11%	0.111	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	126.7	-175	-55	-50.5	0	0	0	113.7	D63 Q68 L267 H271 K274 D278	D63-H66 PolarHBondContact O-CE1 2.75Å; H66-Q68 VanDerWaalsContact C-N 3.3Å; H66-Q68 PolarHBondContact O-N 3.34Å; H66-L267 WeakPolarHBondContact O-CD2 3.15Å; H66-H271 HydrophobicContact CB-CB 4.24Å; H66-K274 HydrophobicContact CB-CB 4.44Å; H66-K274 HydrophobicContact CB-CD 4.27Å; H66-K274 WeakPolarHBondContact ND1-CD 3.43Å; H66-D278 IonicContact CD2-OD2 2.71Å; H66-D278 PolarHBondContact CD2-OD2 2.73Å; H66-D278 IonicContact CE1-OD2 3.52Å; H66-D278 IonicContact NE2-OD2 3.75Å; H66-D278 PolarHBondContact NE2-OD2 3.44Å
67	G	97.7	Very high	96.9	Very high	14 Å²	14	43 Å²	43	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	15.5	168.7	0	0	0	0	0	115	R224 H271	G67-R224 VanDerWaalsContact O-CZ 3.3Å; G67-R224 PolarHBondContact O-NE 3.46Å; G67-R224 PolarHBondContact O-NH2 3.36Å; G67-H271 WeakPolarHBondContact CA-NE2 3.38Å
68	Q	98.1	Very high	96.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.226	C	C	.	.			trans	-118.7	51	-179.6	-52.7	-62.4	-13.3	0	0	112.1	L65 H66 I70 A71 A72 V102 F264 L265	L65-Q68 HydrophobicContact CD1-CB 4.23Å; L65-Q68 HydrophobicContact CD1-CG 3.94Å; L65-Q68 HydrophobicContact CD2-CB 3.65Å; L65-Q68 HydrophobicContact CD2-CG 4.29Å; L65-Q68 HydrophobicContact CG-CB 3.74Å; L65-Q68 HydrophobicContact CG-CG 3.97Å; H66-Q68 VanDerWaalsContact C-N 3.3Å; H66-Q68 PolarHBondContact O-N 3.34Å; Q68-I70 VanDerWaalsContact C-N 3.27Å; Q68-I70 PolarHBondContact O-N 2.93Å; Q68-A71 HydrophobicContact CB-CB 3.99Å; Q68-A71 PolarHBondContact O-N 3.12Å; Q68-A71 VanDerWaalsContact O-N 3.08Å; Q68-A72 WeakPolarHBondContact O-CB 3.32Å; Q68-A72 PolarHBondContact O-N 3.37Å; Q68-V102 PolarHBondContact NE2-O 3.44Å; Q68-F264 HydrophobicContact CG-CD1 4.1Å; Q68-L265 PolarHBondContact NE2-O 3.5Å
69	H	97.4	Very high	96.9	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.25	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-40.2	-177.5	61.4	-65.2	0	0	0	112.5	E73 R224 E225 L227	H69-E73 WeakPolarHBondContact O-CB 3.35Å; H69-E73 PolarHBondContact O-N 3Å; H69-R224 PolarHBondContact CE1-O 2.84Å; H69-R224 PolarHBondContact NE2-O 3.12Å; H69-E225 PolarHBondContact NE2-O 3.28Å; H69-L227 PolarHBondContact NE2-O 3.14Å
70	I	96.9	Very high	96.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-47.3	175.2	-56.7	175.1	0	0	0	111	Q68 R74 L227 Y229 V232 P263 L265	Q68-I70 VanDerWaalsContact C-N 3.27Å; Q68-I70 PolarHBondContact O-N 2.93Å; I70-R74 HydrophobicContact CG2-CG 4.19Å; I70-R74 WeakPolarHBondContact O-CB 3.45Å; I70-R74 WeakPolarHBondContact O-CG 3.41Å; I70-R74 PolarHBondContact O-N 3.24Å; I70-L227 HydrophobicContact CD1-CD2 4.42Å; I70-L227 HydrophobicContact CD1-CG 4.28Å; I70-L227 WeakPolarHBondContact CD1-O 3.5Å; I70-Y229 HydrophobicContact CG2-CD2 4.06Å; I70-V232 HydrophobicContact CD1-CG2 4.27Å; I70-P263 HydrophobicContact CG2-CG 3.89Å; I70-L265 HydrophobicContact CD1-CD1 4.25Å; I70-L265 HydrophobicContact CD1-CD2 4.36Å
71	A	97.6	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-42.6	-178.3	0	0	0	0	0	111.6	Q68 R74 V75 I262 F264	Q68-A71 HydrophobicContact CB-CB 3.99Å; Q68-A71 PolarHBondContact O-N 3.12Å; Q68-A71 VanDerWaalsContact O-N 3.08Å; A71-R74 PolarHBondContact O-N 3.22Å; A71-V75 VanDerWaalsContact O-CB 3.29Å; A71-V75 WeakPolarHBondContact O-CB 3.34Å; A71-V75 VanDerWaalsContact O-CG2 3.26Å; A71-V75 WeakPolarHBondContact O-CG2 3.5Å; A71-V75 PolarHBondContact O-N 3.04Å; A71-I262 HydrophobicContact CB-CG2 3.72Å; A71-F264 HydrophobicContact CB-CD1 4.34Å; A71-F264 HydrophobicContact CB-CD2 4.27Å; A71-F264 HydrophobicContact CB-CE1 4.03Å; A71-F264 HydrophobicContact CB-CE2 3.94Å; A71-F264 HydrophobicContact CB-CG 4.45Å; A71-F264 HydrophobicContact CB-CZ 3.82Å
72	A	98.1	Very high	96.8	Very high	19 Å²	19	41 Å²	41	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-53.6	176.2	0	0	0	0	0	111.5	L61 L65 Q68 R74 Y76	L61-A72 HydrophobicContact CB-CB 4.16Å; L65-A72 HydrophobicContact CD2-CB 4.23Å; Q68-A72 WeakPolarHBondContact O-CB 3.32Å; Q68-A72 PolarHBondContact O-N 3.37Å; A72-R74 PolarHBondContact O-N 3.14Å; A72-Y76 VanDerWaalsContact O-CB 3.28Å; A72-Y76 WeakPolarHBondContact O-CB 3.38Å; A72-Y76 PolarHBondContact O-N 3.49Å
73	E	97	Very high	96.7	Very high	103 Å²	103	39.2 Å²	39.2	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-57.5	-51.3	178.9	179.1	-168.6	167.6	0	0	111.4	H69 Y76 H77	H69-E73 WeakPolarHBondContact O-CB 3.35Å; H69-E73 PolarHBondContact O-N 3Å; E73-Y76 PolarHBondContact O-N 2.85Å; E73-H77 PolarHBondContact O-CD2 2.89Å; E73-H77 PolarHBondContact O-N 3.03Å
74	R	96.8	Very high	96.5	Very high	52 Å²	52	37.6 Å²	37.6	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-67.1	-42.6	-174.6	-63.7	-64.7	-69.9	137	-8.4	111.9	I70 A71 A72 H78 Y229 I262	I70-R74 HydrophobicContact CG2-CG 4.19Å; I70-R74 WeakPolarHBondContact O-CB 3.45Å; I70-R74 WeakPolarHBondContact O-CG 3.41Å; I70-R74 PolarHBondContact O-N 3.24Å; A71-R74 PolarHBondContact O-N 3.22Å; A72-R74 PolarHBondContact O-N 3.14Å; R74-H78 PolarHBondContact NH1-NE2 3.48Å; R74-H78 PolarHBondContact NH2-NE2 3.45Å; R74-H78 WeakPolarHBondContact O-CB 3.46Å; R74-H78 PolarHBondContact O-CD2 3.05Å; R74-H78 PolarHBondContact O-N 3.08Å; R74-H78 VanDerWaalsContact O-N 3.14Å; R74-Y229 HydrophobicContact CG-CD2 4.41Å; R74-I262 HydrophobicContact CB-CD1 4Å; R74-I262 HydrophobicContact CB-CG1 3.97Å; R74-I262 HydrophobicContact CB-CG2 4.45Å
75	V	98	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-47.1	176.8	168.3	0	0	0	0	110.7	L61 A71 H77 L79 F96 V107 I111 I262	L61-V75 HydrophobicContact CD1-CB 4.45Å; L61-V75 HydrophobicContact CD1-CG1 4.16Å; L61-V75 HydrophobicContact CD2-CG1 4.46Å; A71-V75 VanDerWaalsContact O-CB 3.29Å; A71-V75 WeakPolarHBondContact O-CB 3.34Å; A71-V75 VanDerWaalsContact O-CG2 3.26Å; A71-V75 WeakPolarHBondContact O-CG2 3.5Å; A71-V75 PolarHBondContact O-N 3.04Å; V75-H77 PolarHBondContact O-N 2.98Å; V75-L79 WeakPolarHBondContact O-CB 2.99Å; V75-L79 PolarHBondContact O-N 3.27Å; V75-F96 HydrophobicContact CG2-CE1 3.89Å; V75-F96 HydrophobicContact CG2-CZ 3.8Å; V75-V107 HydrophobicContact CB-CG1 4.44Å; V75-V107 HydrophobicContact CG1-CG1 4.18Å; V75-V107 HydrophobicContact CG2-CG1 3.87Å; V75-I111 HydrophobicContact CG1-CD1 3.64Å; V75-I111 HydrophobicContact CG1-CG1 3.71Å; V75-I262 HydrophobicContact CG2-CD1 3.84Å
76	Y	98	Very high	94.9	Very high	28 Å²	28	37.9 Å²	37.9	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-53.7	179.4	175.1	-100.2	0	0	0	111.8	K54 L57 E58 A72 E73 L79 V80	K54-Y76 WeakPolarHBondContact CE-OH 3.4Å; K54-Y76 HydrophobicContact CG-CE2 3.8Å; L57-Y76 HydrophobicContact CD2-CD2 3.91Å; L57-Y76 HydrophobicContact CG-CD2 4.27Å; E58-Y76 HydrophobicContact CB-CD2 4.15Å; E58-Y76 HydrophobicContact CB-CE2 3.64Å; E58-Y76 HydrophobicContact CG-CD2 4.37Å; E58-Y76 HydrophobicContact CG-CE2 3.9Å; E58-Y76 PolarHBondContact OE2-OH 3.42Å; A72-Y76 VanDerWaalsContact O-CB 3.28Å; A72-Y76 WeakPolarHBondContact O-CB 3.38Å; A72-Y76 PolarHBondContact O-N 3.49Å; E73-Y76 PolarHBondContact O-N 2.85Å; Y76-L79 PolarHBondContact O-N 3.47Å; Y76-V80 HydrophobicContact CD2-CG2 4.11Å; Y76-V80 HydrophobicContact CE2-CG2 4.02Å; Y76-V80 HydrophobicContact CG-CG2 4.45Å; Y76-V80 VanDerWaalsContact O-CB 3.31Å; Y76-V80 WeakPolarHBondContact O-CB 3.4Å; Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.02Å
77	H	97.1	Very high	94.3	Very high	102 Å²	102	41 Å²	41	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-66.1	-43.3	-175.3	-72.7	-57	0	0	0	112.9	E73 V75 D81	E73-H77 PolarHBondContact O-CD2 2.89Å; E73-H77 PolarHBondContact O-N 3.03Å; V75-H77 PolarHBondContact O-N 2.98Å; H77-D81 VanDerWaalsContact O-CB 3.28Å; H77-D81 WeakPolarHBondContact O-CB 3.49Å; H77-D81 PolarHBondContact O-N 3.12Å
78	H	97.2	Very high	94.1	Very high	30 Å²	30	41.3 Å²	41.3	14%	0.139	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-39.9	178.6	-78.4	-57.9	0	0	0	113.1	R74 H82 L92 L94 A260	R74-H78 PolarHBondContact NH1-NE2 3.48Å; R74-H78 PolarHBondContact NH2-NE2 3.45Å; R74-H78 WeakPolarHBondContact O-CB 3.46Å; R74-H78 PolarHBondContact O-CD2 3.05Å; R74-H78 PolarHBondContact O-N 3.08Å; R74-H78 VanDerWaalsContact O-N 3.14Å; H78-H82 VanDerWaalsContact O-CB 3.29Å; H78-H82 WeakPolarHBondContact O-CB 3.07Å; H78-H82 PolarHBondContact O-N 3.33Å; H78-L92 HydrophobicContact CB-CD1 4.15Å; H78-L94 HydrophobicContact CB-CD2 4.07Å; H78-A260 WeakPolarHBondContact NE2-CB 3.47Å
79	L	97	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.2	-42	-179.3	-170.2	63.2	0	0	0	111.5	F52 L57 V75 Y76 H82 I83 L92 I111 V115 I198	F52-L79 HydrophobicContact CE2-CD2 3.95Å; F52-L79 HydrophobicContact CE2-CG 3.98Å; F52-L79 HydrophobicContact CZ-CG 4.33Å; L57-L79 HydrophobicContact CD1-CD2 4Å; L57-L79 HydrophobicContact CD2-CB 4.3Å; L57-L79 HydrophobicContact CD2-CD2 3.75Å; L57-L79 HydrophobicContact CD2-CG 4.37Å; V75-L79 WeakPolarHBondContact O-CB 2.99Å; V75-L79 PolarHBondContact O-N 3.27Å; Y76-L79 PolarHBondContact O-N 3.47Å; L79-H82 PolarHBondContact O-N 3.2Å; L79-I83 HydrophobicContact CD1-CD1 3.62Å; L79-I83 HydrophobicContact CD1-CG1 4.21Å; L79-I83 HydrophobicContact CG-CD1 3.96Å; L79-I83 PolarHBondContact O-N 3.48Å; L79-L92 HydrophobicContact CD1-CD2 3.84Å; L79-I111 HydrophobicContact CD1-CG2 4.17Å; L79-I111 HydrophobicContact CD2-CB 4.34Å; L79-I111 HydrophobicContact CD2-CG1 4.14Å; L79-I111 HydrophobicContact CD2-CG2 3.82Å; L79-V115 HydrophobicContact CD1-CG2 4.23Å; L79-V115 HydrophobicContact CD2-CG2 4.06Å; L79-V115 HydrophobicContact CG-CG2 4.5Å; L79-I198 HydrophobicContact CD1-CD1 3.81Å
80	V	96.7	Very high	93.5	Very high	19 Å²	19	47.5 Å²	47.5	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-47.3	175.8	169.9	0	0	0	0	110.8	F52 K54 L57 Y76 H82 A84	F52-V80 HydrophobicContact CE1-CG2 4.18Å; F52-V80 HydrophobicContact CZ-CG2 3.84Å; K54-V80 HydrophobicContact CB-CG2 4.44Å; K54-V80 HydrophobicContact CD-CG1 3.87Å; K54-V80 HydrophobicContact CD-CG2 3.95Å; K54-V80 HydrophobicContact CG-CG2 3.77Å; L57-V80 HydrophobicContact CD2-CG2 4.34Å; Y76-V80 HydrophobicContact CD2-CG2 4.11Å; Y76-V80 HydrophobicContact CE2-CG2 4.02Å; Y76-V80 HydrophobicContact CG-CG2 4.45Å; Y76-V80 VanDerWaalsContact O-CB 3.31Å; Y76-V80 WeakPolarHBondContact O-CB 3.4Å; Y76-V80 WeakPolarHBondContact O-CG2 3.49Å; Y76-V80 PolarHBondContact O-N 2.02Å; V80-H82 VanDerWaalsContact C-N 3.34Å; V80-H82 PolarHBondContact O-N 3Å; V80-A84 HydrophobicContact CG1-CB 4.34Å; V80-A84 WeakPolarHBondContact O-CA 3.42Å; V80-A84 WeakPolarHBondContact O-CB 3.22Å; V80-A84 PolarHBondContact O-N 3.08Å
81	D	95.4	Very high	93.4	Very high	122 Å²	122	47.6 Å²	47.6	65%	0.652	28%	0.278	S	S	*	.	H	α-helix	trans	-58.1	-47.5	177.9	-177.2	67.2	0	0	0	111.4	H77 G85	H77-D81 VanDerWaalsContact O-CB 3.28Å; H77-D81 WeakPolarHBondContact O-CB 3.49Å; H77-D81 PolarHBondContact O-N 3.12Å; D81-G85 WeakPolarHBondContact O-CA 3.32Å; D81-G85 PolarHBondContact O-N 2.87Å
82	H	96	Very high	93.4	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-45.2	-177.9	-172.9	74.3	0	0	0	113.7	H78 L79 V80 P88 K90 L92 R195	H78-H82 VanDerWaalsContact O-CB 3.29Å; H78-H82 WeakPolarHBondContact O-CB 3.07Å; H78-H82 PolarHBondContact O-N 3.33Å; L79-H82 PolarHBondContact O-N 3.2Å; V80-H82 VanDerWaalsContact C-N 3.34Å; V80-H82 PolarHBondContact O-N 3Å; H82-P88 WeakPolarHBondContact ND1-CB 3.41Å; H82-K90 PolarHBondContact CE1-O 2.79Å; H82-L92 HydrophobicContact CB-CB 4.25Å; H82-L92 HydrophobicContact CB-CD2 4.01Å; H82-L92 PolarHBondContact CE1-N 2.87Å; H82-R195 PolarHBondContact CE1-O 3.29Å
83	I	94.2	Very high	93.3	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.195	27%	0.271	C	S	.	.	H	α-helix	trans	-85.9	-47.1	-174.7	-62	178.5	0	0	0	111.5	F52 L79 G85 G86 V115 I198	F52-I83 HydrophobicContact CB-CG2 3.74Å; F52-I83 HydrophobicContact CD1-CB 4.03Å; F52-I83 HydrophobicContact CD1-CG2 3.63Å; F52-I83 HydrophobicContact CD2-CD1 3.73Å; F52-I83 HydrophobicContact CD2-CG2 4.45Å; F52-I83 HydrophobicContact CE1-CB 4.25Å; F52-I83 HydrophobicContact CE1-CG2 4.34Å; F52-I83 HydrophobicContact CE2-CD1 4.01Å; F52-I83 HydrophobicContact CG-CB 4.26Å; F52-I83 HydrophobicContact CG-CD1 4.03Å; F52-I83 HydrophobicContact CG-CG2 3.69Å; L79-I83 HydrophobicContact CD1-CD1 3.62Å; L79-I83 HydrophobicContact CD1-CG1 4.21Å; L79-I83 HydrophobicContact CG-CD1 3.96Å; L79-I83 PolarHBondContact O-N 3.48Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-G86 PolarHBondContact O-N 3.11Å; I83-V115 HydrophobicContact CD1-CB 4.41Å; I83-V115 HydrophobicContact CD1-CG1 4.01Å; I83-V115 HydrophobicContact CD1-CG2 3.49Å; I83-V115 VanDerWaalsContact CD1-CG2 3.49Å; I83-I198 HydrophobicContact CD1-CD1 4.16Å
84	A	88.2	Confident	93.2	Very high	73 Å²	73	42 Å²	42	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-78	-19.7	-175.9	0	0	0	0	0	112.9	V80 G86	V80-A84 HydrophobicContact CG1-CB 4.34Å; V80-A84 WeakPolarHBondContact O-CA 3.42Å; V80-A84 WeakPolarHBondContact O-CB 3.22Å; V80-A84 PolarHBondContact O-N 3.08Å; A84-G86 PolarHBondContact O-N 2.94Å
85	G	79.7	Confident	93.1	Very high	56 Å²	56	39.5 Å²	39.5	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13	173.9	0	0	0	0	0	114.3	D81 I83 S87	D81-G85 WeakPolarHBondContact O-CA 3.32Å; D81-G85 PolarHBondContact O-N 2.87Å; I83-G85 VanDerWaalsContact C-N 3.34Å; G85-S87 PolarHBondContact O-N 3.09Å
86	G	77.6	Confident	93.1	Very high	43 Å²	43	39.5 Å²	39.5	44%	0.443	24%	0.239	S	C	.	.	S	Bend	trans	72.6	-25	170.3	0	0	0	0	0	116.5	I83 A84	I83-G86 PolarHBondContact O-N 3.11Å; A84-G86 PolarHBondContact O-N 2.94Å
87	S	86.5	Confident	92.9	Very high	89 Å²	89	38.1 Å²	38.1	62%	0.622	23%	0.234	S	C	*	.	S	Bend	trans	-145	69.4	-179	-65.6	0	0	0	0	112	G85 Q89	G85-S87 PolarHBondContact O-N 3.09Å; S87-Q89 PolarHBondContact O-NE2 2.98Å
88	P	92.9	Very high	92.8	Very high	20 Å²	20	33.3 Å²	33.3	13%	0.13	21%	0.211	C	C	.	.			trans	-59.3	143.4	175.5	25.9	-34.8	0	0	0	111.1	H82 R195 K196	H82-P88 WeakPolarHBondContact ND1-CB 3.41Å; P88-R195 WeakPolarHBondContact CB-O 3.4Å; P88-R195 HydrophobicContact CG-CB 4.44Å; P88-R195 WeakPolarHBondContact CG-O 3.34Å; P88-R195 WeakPolarHBondContact O-CB 3.14Å; P88-R195 WeakPolarHBondContact O-CD 3.31Å; P88-K196 HydrophobicContact CG-CG 4.03Å
89	Q	89.8	Confident	92.6	Very high	122 Å²	122	34.9 Å²	34.9	57%	0.57	22%	0.217	S	C	*	.	S	Bend	trans	-86.7	-18.3	179.9	-63	-60	-46	0	0	113	S87	S87-Q89 PolarHBondContact O-NE2 2.98Å
90	K	92.8	Very high	92.6	Very high	63 Å²	63	37.2 Å²	37.2	27%	0.274	23%	0.231	S	C	.	.	S	Bend	trans	-151.2	160.3	178.2	65.9	174.1	-173.4	172.3	0	109.8	H82 V185 R195	H82-K90 PolarHBondContact CE1-O 2.79Å; K90-V185 HydrophobicContact CB-CG2 4.13Å; K90-V185 HydrophobicContact CD-CG2 4.3Å; K90-R195 CarbonylContact C-O 3.56Å
91	P	95.4	Very high	92.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.019	24%	0.238	C	C	.	.			trans	-60.1	150.7	174.9	-13.7	26.4	0	0	0	111.2	A93 L182 L183 F194 S197 F199	P91-A93 PolarHBondContact O-N 3.48Å; P91-L182 VanDerWaalsContact CG-O 3.27Å; P91-L182 WeakPolarHBondContact CG-O 3.38Å; P91-L183 HydrophobicContact CB-CD2 3.85Å; P91-L183 HydrophobicContact CG-CD2 3.99Å; P91-F194 WeakPolarHBondContact CB-O 3.07Å; P91-F194 HydrophobicContact CG-CB 3.88Å; P91-F194 VanDerWaalsContact CG-O 3.27Å; P91-F194 WeakPolarHBondContact CG-O 3.39Å; P91-S197 WeakPolarHBondContact CA-O 3.42Å; P91-S197 WeakPolarHBondContact CB-O 3.31Å; P91-F199 HydrophobicContact CB-CD2 3.9Å; P91-F199 HydrophobicContact CB-CE2 3.85Å; P91-F199 HydrophobicContact CG-CE2 4.38Å
92	L	96.2	Very high	92.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	119.3	173.3	176.8	59	0	0	0	109.3	H78 L79 H82 L94 S197 I198 F199 T259	H78-L92 HydrophobicContact CB-CD1 4.15Å; L79-L92 HydrophobicContact CD1-CD2 3.84Å; H82-L92 HydrophobicContact CB-CB 4.25Å; H82-L92 HydrophobicContact CB-CD2 4.01Å; H82-L92 PolarHBondContact CE1-N 2.87Å; L92-L94 HydrophobicContact CD1-CD2 3.77Å; L92-L94 HydrophobicContact CD1-CG 4.02Å; L92-L94 HydrophobicContact CD2-CD1 4.23Å; L92-L94 HydrophobicContact CD2-CG 4.33Å; L92-L94 HydrophobicContact CG-CD1 4.45Å; L92-L94 HydrophobicContact CG-CD2 4.32Å; L92-L94 HydrophobicContact CG-CG 4Å; L92-S197 PolarHBondContact N-O 3.27Å; L92-I198 HydrophobicContact CB-CG1 4.29Å; L92-I198 HydrophobicContact CB-CG2 4.42Å; L92-I198 HydrophobicContact CD2-CG1 4.45Å; L92-I198 HydrophobicContact CD2-CG2 4.13Å; L92-I198 HydrophobicContact CG-CG2 4.38Å; L92-I198 CarbonylContact O-C 3.56Å; L92-F199 PolarHBondContact O-N 3.36Å; L92-T259 HydrophobicContact CD1-CG2 3.86Å
93	A	96.2	Very high	92.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	102.6	178.1	0	0	0	0	0	111.1	P91 L183 F199 F201 I258 T259 A260	P91-A93 PolarHBondContact O-N 3.48Å; A93-L183 HydrophobicContact CB-CD1 4.36Å; A93-L183 HydrophobicContact CB-CD2 4.27Å; A93-F199 CarbonylContact C-O 3.58Å; A93-F199 WeakPolarHBondContact CA-O 3.46Å; A93-F199 HydrophobicContact CB-CB 4.5Å; A93-F201 HydrophobicContact CB-CE2 4.24Å; A93-I258 HydrophobicContact CB-CD1 4.37Å; A93-T259 PolarHBondContact N-OG1 3.49Å; A93-T259 WeakPolarHBondContact O-CA 3.43Å; A93-T259 VanDerWaalsContact O-CB 3.25Å; A93-T259 WeakPolarHBondContact O-CB 3.24Å; A93-T259 PolarHBondContact O-N 3.3Å; A93-A260 PolarHBondContact O-N 3.42Å
94	L	96.2	Very high	93	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.9	179.1	-60.6	-177.7	0	0	0	110.7	H78 L92 F96 I111 F199 I200 F201 A260 I262	H78-L94 HydrophobicContact CB-CD2 4.07Å; L92-L94 HydrophobicContact CD1-CD2 3.77Å; L92-L94 HydrophobicContact CD1-CG 4.02Å; L92-L94 HydrophobicContact CD2-CD1 4.23Å; L92-L94 HydrophobicContact CD2-CG 4.33Å; L92-L94 HydrophobicContact CG-CD1 4.45Å; L92-L94 HydrophobicContact CG-CD2 4.32Å; L92-L94 HydrophobicContact CG-CG 4Å; L94-F96 HydrophobicContact CB-CD1 4.34Å; L94-F96 HydrophobicContact CB-CE1 3.76Å; L94-F96 HydrophobicContact CD1-CE1 4.09Å; L94-F96 HydrophobicContact CD1-CZ 4.36Å; L94-I111 HydrophobicContact CD1-CD1 4.4Å; L94-F199 PolarHBondContact N-O 3.49Å; L94-I200 CarbonylContact O-C 3.22Å; L94-I200 WeakPolarHBondContact O-CA 3.36Å; L94-F201 WeakPolarHBondContact O-CD2 3.22Å; L94-F201 PolarHBondContact O-N 3.02Å; L94-A260 HydrophobicContact CD2-CB 4.13Å; L94-I262 HydrophobicContact CB-CD1 4.45Å; L94-I262 HydrophobicContact CD1-CD1 4.34Å; L94-I262 HydrophobicContact CD2-CD1 3.9Å; L94-I262 HydrophobicContact CG-CD1 4.47Å
95	S	94.8	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.3	177.4	-152.7	0	0	0	0	110.6	H97 F201 A260 V261 I262	S95-H97 PolarHBondContact O-CD2 3.33Å; S95-H97 VanDerWaalsContact O-CD2 3.3Å; S95-H97 PolarHBondContact OG-NE2 3.07Å; S95-F201 CarbonylContact C-O 3.52Å; S95-F201 WeakPolarHBondContact CA-O 3.33Å; S95-A260 PolarHBondContact N-O 3.28Å; S95-V261 CarbonylContact O-C 3.59Å; S95-V261 WeakPolarHBondContact O-CA 3.38Å; S95-I262 PolarHBondContact O-N 2.98Å
96	F	96.2	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.5	-176.4	-62.9	-4.6	0	0	0	110.5	V75 L94 K104 V107 I111 I200 F201 L202 S203 I262 F264	V75-F96 HydrophobicContact CG2-CE1 3.89Å; V75-F96 HydrophobicContact CG2-CZ 3.8Å; L94-F96 HydrophobicContact CB-CD1 4.34Å; L94-F96 HydrophobicContact CB-CE1 3.76Å; L94-F96 HydrophobicContact CD1-CE1 4.09Å; L94-F96 HydrophobicContact CD1-CZ 4.36Å; F96-K104 HydrophobicContact CB-CB 4.37Å; F96-K104 HydrophobicContact CB-CD 4.09Å; F96-K104 HydrophobicContact CB-CG 4.19Å; F96-K104 HydrophobicContact CD2-CB 4.46Å; F96-V107 HydrophobicContact CE2-CB 4.12Å; F96-V107 HydrophobicContact CE2-CG1 3.83Å; F96-V107 HydrophobicContact CZ-CG1 3.97Å; F96-I111 HydrophobicContact CE2-CD1 4.36Å; F96-I111 HydrophobicContact CZ-CD1 3.78Å; F96-I200 HydrophobicContact CD2-CG2 4Å; F96-I200 HydrophobicContact CE1-CG2 4.36Å; F96-I200 HydrophobicContact CE2-CG2 3.7Å; F96-I200 HydrophobicContact CG-CG2 4.43Å; F96-I200 HydrophobicContact CZ-CG2 3.89Å; F96-F201 PolarHBondContact N-O 3.27Å; F96-L202 HydrophobicContact CB-CD2 3.85Å; F96-L202 HydrophobicContact CD2-CD2 3.31Å; F96-L202 HydrophobicContact CE2-CD2 4.1Å; F96-L202 HydrophobicContact CG-CD2 3.86Å; F96-S203 PolarHBondContact O-N 2.71Å; F96-I262 WeakPolarHBondContact CA-O 3.37Å; F96-I262 HydrophobicContact CD1-CB 3.95Å; F96-I262 HydrophobicContact CD1-CD1 4.24Å; F96-I262 HydrophobicContact CD1-CG2 4.41Å; F96-I262 HydrophobicContact CE1-CB 4.33Å; F96-I262 HydrophobicContact CE1-CD1 3.8Å; F96-F264 HydrophobicContact CB-CD2 4.12Å; F96-F264 HydrophobicContact CB-CE2 3.63Å; F96-F264 HydrophobicContact CB-CZ 4.48Å; F96-F264 HydrophobicContact CD1-CE2 4.02Å; F96-F264 AromaticContact CD2-CE2 3.78Å; F96-F264 HydrophobicContact CD2-CE2 3.78Å; F96-F264 AromaticContact CD2-CZ 3.85Å; F96-F264 HydrophobicContact CD2-CZ 3.85Å; F96-F264 HydrophobicContact CE2-CE2 4.47Å; F96-F264 HydrophobicContact CE2-CZ 4.25Å; F96-F264 HydrophobicContact CG-CD2 4.49Å; F96-F264 AromaticContact CG-CE2 3.54Å; F96-F264 HydrophobicContact CG-CE2 3.54Å; F96-F264 HydrophobicContact CG-CZ 4.11Å
97	H	94.6	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	-175	-67.2	-90.6	0	0	0	111.5	S95 S203 A205 I210 L236 F241 V261 I262 P263 F264	S95-H97 PolarHBondContact O-CD2 3.33Å; S95-H97 VanDerWaalsContact O-CD2 3.3Å; S95-H97 PolarHBondContact OG-NE2 3.07Å; H97-S203 WeakPolarHBondContact CA-O 3.35Å; H97-A205 PolarHBondContact ND1-O 3.42Å; H97-I210 HydrophobicContact CB-CD1 4.12Å; H97-I210 VanDerWaalsContact O-CD1 3.23Å; H97-I210 WeakPolarHBondContact O-CD1 3.04Å; H97-L236 HydrophobicContact CB-CD1 4.38Å; H97-F241 AromaticContact CE1-CE1 3.91Å; H97-F241 AromaticContact NE2-CE1 3.95Å; H97-V261 VanDerWaalsContact CD2-CG1 3.48Å; H97-V261 WeakPolarHBondContact CD2-CG1 3.27Å; H97-I262 PolarHBondContact N-O 3.44Å; H97-P263 CarbonylContact O-C 3.1Å; H97-P263 WeakPolarHBondContact O-CA 3.4Å; H97-F264 PolarHBondContact O-N 3Å
98	G	94.6	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	176.6	177.3	0	0	0	0	0	111.4	K104 S203 N204	G98-K104 PolarHBondContact O-NZ 3.16Å; G98-S203 PolarHBondContact N-O 3.31Å; G98-N204 WeakPolarHBondContact O-CA 3.43Å; G98-N204 PolarHBondContact O-OD1 3.38Å
99	Y	94.5	Very high	96.1	Very high	64 Å²	64	25.8 Å²	25.8	25%	0.251	14%	0.135	S	C	.	.			trans	-63	173.2	178.3	-88.1	13.7	0	0	0	114	V102 K104 G207 N208 N211	Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; Y99-K104 PolarHBondContact O-NZ 3.44Å; Y99-G207 VanDerWaalsContact CE1-C 3.43Å; Y99-N208 VanDerWaalsContact CE1-OD1 3.27Å; Y99-N208 WeakPolarHBondContact CE1-OD1 3.33Å; Y99-N208 PolarHBondContact OH-OD1 2.83Å; Y99-N211 WeakPolarHBondContact CD2-ND2 3.32Å; Y99-N211 WeakPolarHBondContact CE2-ND2 3.31Å
100	T	95.7	Very high	96.5	Very high	48 Å²	48	20.2 Å²	20.2	29%	0.294	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	149.9	174.2	-161.6	0	0	0	0	111.1	V102 S312	T100-V102 PolarHBondContact O-N 3.33Å; T100-V102 VanDerWaalsContact O-N 3.14Å; T100-S312 CarbonylContact O-C 3.5Å
101	G	97.2	Very high	96.7	Very high	25 Å²	25	17.2 Å²	17.2	26%	0.258	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	8	173.7	0	0	0	0	0	117	S312 C314	G101-S312 WeakPolarHBondContact CA-O 3.44Å; G101-C314 PolarHBondContact O-N 2.89Å
102	V	98.1	Very high	96.8	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.03	10%	0.095	C	C	.	.	S	Bend	trans	-85.5	-7.3	177.8	-59.1	0	0	0	0	114.3	Q68 Y99 T100 K104 F264	Q68-V102 PolarHBondContact NE2-O 3.44Å; Y99-V102 WeakPolarHBondContact O-CG2 3.43Å; T100-V102 PolarHBondContact O-N 3.33Å; T100-V102 VanDerWaalsContact O-N 3.14Å; V102-K104 HydrophobicContact CG2-CG 4.27Å; V102-F264 HydrophobicContact CB-CB 4.25Å; V102-F264 HydrophobicContact CG2-CB 3.39Å; V102-F264 HydrophobicContact CG2-CD1 4.16Å; V102-F264 HydrophobicContact CG2-CG 4.12Å
103	G	97.9	Very high	96.8	Very high	16 Å²	16	21.2 Å²	21.2	17%	0.165	12%	0.117	C	C	.	.	S	Bend	trans	118.5	6	173	0	0	0	0	0	117.3	N105 F106 V107	G103-N105 PolarHBondContact O-N 3.3Å; G103-F106 WeakPolarHBondContact O-CB 3.47Å; G103-F106 PolarHBondContact O-N 3.47Å; G103-F106 VanDerWaalsContact O-N 3.08Å; G103-V107 WeakPolarHBondContact O-CG2 2.98Å; G103-V107 PolarHBondContact O-N 3.04Å
104	K	98.1	Very high	96.9	Very high	10 Å²	10	21.7 Å²	21.7	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-52.5	-56.8	-178.6	-61.4	-168.3	-62.1	-82.9	0	113.4	F96 G98 Y99 V102 F106 V107 S108 L202 S203 N204 F264	F96-K104 HydrophobicContact CB-CB 4.37Å; F96-K104 HydrophobicContact CB-CD 4.09Å; F96-K104 HydrophobicContact CB-CG 4.19Å; F96-K104 HydrophobicContact CD2-CB 4.46Å; G98-K104 PolarHBondContact O-NZ 3.16Å; Y99-K104 PolarHBondContact O-NZ 3.44Å; V102-K104 HydrophobicContact CG2-CG 4.27Å; K104-F106 PolarHBondContact O-N 3.29Å; K104-V107 PolarHBondContact O-N 3.38Å; K104-S108 PolarHBondContact O-N 3.46Å; K104-L202 HydrophobicContact CB-CD2 4.32Å; K104-S203 WeakPolarHBondContact CD-O 3.42Å; K104-S203 VanDerWaalsContact CE-O 3.23Å; K104-S203 WeakPolarHBondContact CE-O 3.21Å; K104-S203 PolarHBondContact NZ-O 2.8Å; K104-N204 PolarHBondContact NZ-OD1 3.45Å; K104-F264 HydrophobicContact CG-CB 4.33Å; K104-F264 HydrophobicContact CG-CD1 4.12Å; K104-F264 HydrophobicContact CG-CD2 3.88Å; K104-F264 HydrophobicContact CG-CE1 4.41Å; K104-F264 HydrophobicContact CG-CE2 4.21Å; K104-F264 HydrophobicContact CG-CG 3.84Å; K104-F264 HydrophobicContact CG-CZ 4.46Å
105	N	97.7	Very high	96.9	Very high	62 Å²	62	21.7 Å²	21.7	33%	0.332	12%	0.12	S	C	.	.	H	α-helix	trans	-69	-26	178.9	-57.4	26.5	0	0	0	111.9	G103 S108 N109 D166 L202	G103-N105 PolarHBondContact O-N 3.3Å; N105-S108 VanDerWaalsContact CA-OG 3.31Å; N105-S108 WeakPolarHBondContact CA-OG 3.13Å; N105-S108 PolarHBondContact O-OG 2.89Å; N105-N109 PolarHBondContact O-N 2.96Å; N105-N109 VanDerWaalsContact O-N 3.11Å; N105-N109 PolarHBondContact O-ND2 2.86Å; N105-N109 PolarHBondContact O-OD1 3.41Å; N105-D166 PolarHBondContact ND2-OD2 2.88Å; N105-L202 WeakPolarHBondContact OD1-CD1 3.31Å
106	F	97.8	Very high	96.9	Very high	62 Å²	62	21.7 Å²	21.7	27%	0.272	12%	0.12	S	C	.	.	H	α-helix	trans	-68.5	-45.4	176.3	-175.7	-109.3	0	0	0	110.5	E64 L65 G103 K104 N109 I110	E64-F106 HydrophobicContact CB-CE1 3.79Å; E64-F106 HydrophobicContact CB-CZ 3.74Å; E64-F106 WeakPolarHBondContact O-CE1 3.27Å; L65-F106 HydrophobicContact CD1-CD1 4.13Å; G103-F106 WeakPolarHBondContact O-CB 3.47Å; G103-F106 PolarHBondContact O-N 3.47Å; G103-F106 VanDerWaalsContact O-N 3.08Å; K104-F106 PolarHBondContact O-N 3.29Å; F106-N109 WeakPolarHBondContact O-CB 3.42Å; F106-N109 PolarHBondContact O-N 2.81Å; F106-I110 HydrophobicContact CD1-CD1 3.86Å; F106-I110 HydrophobicContact CE1-CD1 3.51Å; F106-I110 HydrophobicContact CE1-CG1 4.32Å; F106-I110 HydrophobicContact CZ-CD1 4.09Å; F106-I110 HydrophobicContact CZ-CG1 4.5Å; F106-I110 PolarHBondContact O-N 2.8Å
107	V	98.4	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-38.2	175.5	175.2	0	0	0	0	112	L61 L65 V75 F96 G103 K104 N109 I110 I111 F264	L61-V107 HydrophobicContact CD2-CG1 4.26Å; L65-V107 HydrophobicContact CD1-CG2 3.49Å; L65-V107 VanDerWaalsContact CD1-CG2 3.49Å; L65-V107 HydrophobicContact CD2-CG2 3.44Å; L65-V107 VanDerWaalsContact CD2-CG2 3.44Å; L65-V107 HydrophobicContact CG-CG2 4.06Å; V75-V107 HydrophobicContact CB-CG1 4.44Å; V75-V107 HydrophobicContact CG1-CG1 4.18Å; V75-V107 HydrophobicContact CG2-CG1 3.87Å; F96-V107 HydrophobicContact CE2-CB 4.12Å; F96-V107 HydrophobicContact CE2-CG1 3.83Å; F96-V107 HydrophobicContact CZ-CG1 3.97Å; G103-V107 WeakPolarHBondContact O-CG2 2.98Å; G103-V107 PolarHBondContact O-N 3.04Å; K104-V107 PolarHBondContact O-N 3.38Å; V107-N109 VanDerWaalsContact C-N 3.26Å; V107-N109 PolarHBondContact O-N 3.32Å; V107-I110 WeakPolarHBondContact O-CB 3.26Å; V107-I110 PolarHBondContact O-N 3.35Å; V107-I111 HydrophobicContact CG1-CD1 4.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.13Å; V107-I111 PolarHBondContact O-N 3.05Å; V107-F264 HydrophobicContact CB-CE1 4.15Å; V107-F264 HydrophobicContact CB-CZ 3.9Å; V107-F264 HydrophobicContact CG1-CZ 4.25Å; V107-F264 HydrophobicContact CG2-CE1 3.63Å; V107-F264 HydrophobicContact CG2-CZ 3.82Å
108	S	98.3	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-40	173.1	65.9	0	0	0	0	111.4	K104 N105 I111 V112	K104-S108 PolarHBondContact O-N 3.46Å; N105-S108 VanDerWaalsContact CA-OG 3.31Å; N105-S108 WeakPolarHBondContact CA-OG 3.13Å; N105-S108 PolarHBondContact O-OG 2.89Å; S108-I111 PolarHBondContact O-N 3.38Å; S108-V112 VanDerWaalsContact O-CG2 3.24Å; S108-V112 WeakPolarHBondContact O-CG2 3.37Å; S108-V112 PolarHBondContact O-N 2.97Å
109	N	97.6	Very high	96.9	Very high	57 Å²	57	35.6 Å²	35.6	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-67.5	-38.1	175.3	-68.1	-11.4	0	0	0	112.4	N105 F106 V107 I111 V112 N113 T120	N105-N109 PolarHBondContact O-N 2.96Å; N105-N109 VanDerWaalsContact O-N 3.11Å; N105-N109 PolarHBondContact O-ND2 2.86Å; N105-N109 PolarHBondContact O-OD1 3.41Å; F106-N109 WeakPolarHBondContact O-CB 3.42Å; F106-N109 PolarHBondContact O-N 2.81Å; V107-N109 VanDerWaalsContact C-N 3.26Å; V107-N109 PolarHBondContact O-N 3.32Å; N109-I111 VanDerWaalsContact C-N 3.32Å; N109-I111 PolarHBondContact O-N 3.02Å; N109-V112 PolarHBondContact O-N 3.29Å; N109-N113 VanDerWaalsContact O-CB 3.27Å; N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.49Å; N109-N113 PolarHBondContact O-ND2 3.34Å; N109-T120 HydrophobicContact CB-CG2 4.43Å
110	I	97.5	Very high	97	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-46.6	172.8	-73.3	170.7	0	0	0	110.4	L57 L61 F106 V107 N113 N114	L57-I110 HydrophobicContact CD1-CG2 4Å; L61-I110 HydrophobicContact CD2-CD1 4.34Å; L61-I110 HydrophobicContact CD2-CG2 4.01Å; L61-I110 HydrophobicContact CG-CG2 4.17Å; F106-I110 HydrophobicContact CD1-CD1 3.86Å; F106-I110 HydrophobicContact CE1-CD1 3.51Å; F106-I110 HydrophobicContact CE1-CG1 4.32Å; F106-I110 HydrophobicContact CZ-CD1 4.09Å; F106-I110 HydrophobicContact CZ-CG1 4.5Å; F106-I110 PolarHBondContact O-N 2.8Å; V107-I110 WeakPolarHBondContact O-CB 3.26Å; V107-I110 PolarHBondContact O-N 3.35Å; I110-N113 PolarHBondContact O-N 3Å; I110-N114 WeakPolarHBondContact O-CB 3.45Å; I110-N114 PolarHBondContact O-N 2.94Å; I110-N114 PolarHBondContact O-ND2 3.46Å
111	I	98	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-52.9	177.7	-67	166.1	0	0	0	109.9	V75 L79 L94 F96 V107 S108 N109 N113 N114 V115 I200	V75-I111 HydrophobicContact CG1-CD1 3.64Å; V75-I111 HydrophobicContact CG1-CG1 3.71Å; L79-I111 HydrophobicContact CD1-CG2 4.17Å; L79-I111 HydrophobicContact CD2-CB 4.34Å; L79-I111 HydrophobicContact CD2-CG1 4.14Å; L79-I111 HydrophobicContact CD2-CG2 3.82Å; L94-I111 HydrophobicContact CD1-CD1 4.4Å; F96-I111 HydrophobicContact CE2-CD1 4.36Å; F96-I111 HydrophobicContact CZ-CD1 3.78Å; V107-I111 HydrophobicContact CG1-CD1 4.24Å; V107-I111 WeakPolarHBondContact O-CG1 3.13Å; V107-I111 PolarHBondContact O-N 3.05Å; S108-I111 PolarHBondContact O-N 3.38Å; N109-I111 VanDerWaalsContact C-N 3.32Å; N109-I111 PolarHBondContact O-N 3.02Å; I111-N113 PolarHBondContact O-N 3.44Å; I111-N114 PolarHBondContact O-N 2.88Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CB 3.35Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.49Å; I111-V115 PolarHBondContact O-N 2.93Å; I111-V115 VanDerWaalsContact O-N 3.07Å; I111-I200 HydrophobicContact CB-CD1 4.27Å; I111-I200 HydrophobicContact CD1-CD1 3.8Å; I111-I200 HydrophobicContact CG2-CD1 4.02Å
112	V	97.8	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-45.6	-177.5	175.3	0	0	0	0	111.2	S108 N109 N114 V115 L116 G119 T120 Y125 I162	S108-V112 VanDerWaalsContact O-CG2 3.24Å; S108-V112 WeakPolarHBondContact O-CG2 3.37Å; S108-V112 PolarHBondContact O-N 2.97Å; N109-V112 PolarHBondContact O-N 3.29Å; V112-N114 VanDerWaalsContact C-N 3.26Å; V112-N114 PolarHBondContact O-N 3.43Å; V112-V115 PolarHBondContact O-N 3.37Å; V112-L116 HydrophobicContact CG1-CD1 4.26Å; V112-L116 PolarHBondContact O-N 3.44Å; V112-G119 WeakPolarHBondContact CG1-O 3.24Å; V112-T120 HydrophobicContact CB-CG2 4.45Å; V112-T120 HydrophobicContact CG1-CG2 4.11Å; V112-Y125 HydrophobicContact CB-CD2 4.33Å; V112-Y125 HydrophobicContact CG1-CD2 3.79Å; V112-Y125 HydrophobicContact CG1-CE2 4.35Å; V112-Y125 HydrophobicContact CG1-CG 3.92Å; V112-Y125 HydrophobicContact CG2-CD2 3.51Å; V112-Y125 HydrophobicContact CG2-CE2 3.55Å; V112-Y125 HydrophobicContact CG2-CG 4.44Å; V112-I162 HydrophobicContact CB-CD1 4.48Å; V112-I162 HydrophobicContact CG2-CD1 4.1Å; V112-I162 HydrophobicContact CG2-CG2 3.99Å
113	N	96.6	Very high	96.9	Very high	90 Å²	90	48 Å²	48	48%	0.481	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-23	-179.7	-67.8	-19.3	0	0	0	113.7	N109 I110 I111 G119 T120	N109-N113 VanDerWaalsContact O-CB 3.27Å; N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.49Å; N109-N113 PolarHBondContact O-ND2 3.34Å; I110-N113 PolarHBondContact O-N 3Å; I111-N113 PolarHBondContact O-N 3.44Å; N113-G119 WeakPolarHBondContact OD1-CA 3.48Å; N113-T120 PolarHBondContact OD1-N 3.18Å
114	N	96.3	Very high	96.9	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.059	21%	0.214	C	C	.	.	H	α-helix	trans	-96.5	-4.6	177.6	-79	-82.4	0	0	0	113.6	F52 S56 L57 I110 I111 V112	F52-N114 WeakPolarHBondContact CA-O 3.18Å; F52-N114 WeakPolarHBondContact CD2-O 3.31Å; S56-N114 VanDerWaalsContact C-OD1 3.27Å; S56-N114 VanDerWaalsContact CB-OD1 3.24Å; S56-N114 WeakPolarHBondContact CB-OD1 3.37Å; S56-N114 PolarHBondContact OG-OD1 3.35Å; L57-N114 HydrophobicContact CB-CB 4.27Å; L57-N114 HydrophobicContact CD1-CB 4.1Å; L57-N114 PolarHBondContact N-OD1 3.3Å; I110-N114 WeakPolarHBondContact O-CB 3.45Å; I110-N114 PolarHBondContact O-N 2.94Å; I110-N114 PolarHBondContact O-ND2 3.46Å; I111-N114 PolarHBondContact O-N 2.88Å; V112-N114 VanDerWaalsContact C-N 3.26Å; V112-N114 PolarHBondContact O-N 3.43Å
115	V	96.4	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-112.4	-39.6	177.5	175.8	0	0	0	0	111.3	V50 H51 F52 L79 I83 I111 V112 T160 I162 I198	V50-V115 CarbonylContact C-O 3.53Å; V50-V115 WeakPolarHBondContact CA-O 3.32Å; H51-V115 PolarHBondContact N-O 3.1Å; F52-V115 HydrophobicContact CD2-CG2 4Å; F52-V115 HydrophobicContact CE2-CG2 4.42Å; L79-V115 HydrophobicContact CD1-CG2 4.23Å; L79-V115 HydrophobicContact CD2-CG2 4.06Å; L79-V115 HydrophobicContact CG-CG2 4.5Å; I83-V115 HydrophobicContact CD1-CB 4.41Å; I83-V115 HydrophobicContact CD1-CG1 4.01Å; I83-V115 HydrophobicContact CD1-CG2 3.49Å; I83-V115 VanDerWaalsContact CD1-CG2 3.49Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CB 3.35Å; I111-V115 VanDerWaalsContact O-CG2 3.27Å; I111-V115 WeakPolarHBondContact O-CG2 3.49Å; I111-V115 PolarHBondContact O-N 2.93Å; I111-V115 VanDerWaalsContact O-N 3.07Å; V112-V115 PolarHBondContact O-N 3.37Å; V115-T160 HydrophobicContact CG1-CG2 4.25Å; V115-I162 HydrophobicContact CB-CD1 3.92Å; V115-I162 HydrophobicContact CG1-CD1 3.9Å; V115-I198 HydrophobicContact CG1-CD1 4.37Å
116	L	96.2	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-109.5	127.7	-179.2	-59.1	177.1	0	0	0	109.7	A49 V50 V112 L118 G119 F124 I162	A49-L116 CarbonylContact O-C 3.54Å; A49-L116 WeakPolarHBondContact O-CA 3.46Å; V50-L116 HydrophobicContact CG2-CD2 4.45Å; V112-L116 HydrophobicContact CG1-CD1 4.26Å; V112-L116 PolarHBondContact O-N 3.44Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 2.96Å; L116-G119 WeakPolarHBondContact O-CA 3.31Å; L116-G119 PolarHBondContact O-N 3.17Å; L116-F124 HydrophobicContact CD1-CB 4.28Å; L116-F124 HydrophobicContact CD2-CB 4.39Å; L116-I162 HydrophobicContact CD1-CD1 3.95Å; L116-I162 HydrophobicContact CD1-CG1 4.19Å; L116-I162 HydrophobicContact CG-CD1 4Å
117	R	94.7	Very high	96.9	Very high	194 Å²	194	48 Å²	48	73%	0.732	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.4	-176.4	-179.3	177	173.2	150.6	0.2	113.4	A49 G119	A49-R117 PolarHBondContact O-N 2.92Å; R117-G119 VanDerWaalsContact C-N 3.3Å
118	L	95.2	Very high	96.9	Very high	93 Å²	93	49 Å²	49	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.3	176.5	-62.1	-174.5	0	0	0	113.2	E44 L116 T120 R121	E44-L118 HydrophobicContact CB-CD1 4.22Å; E44-L118 HydrophobicContact CG-CD1 4.12Å; E44-L118 WeakPolarHBondContact OE1-CG 3.49Å; L116-L118 VanDerWaalsContact C-N 3.27Å; L116-L118 PolarHBondContact O-N 2.96Å; L118-T120 PolarHBondContact O-N 3.03Å; L118-R121 WeakPolarHBondContact O-CB 3.34Å; L118-R121 PolarHBondContact O-N 3.08Å; L118-R121 VanDerWaalsContact O-N 3.1Å
119	G	95.9	Very high	96.7	Very high	4 Å²	4	50.1 Å²	50.1	4%	0.041	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	56.2	-135.5	179.9	0	0	0	0	0	112	V112 N113 L116 R117 R121 S122	V112-G119 WeakPolarHBondContact CG1-O 3.24Å; N113-G119 WeakPolarHBondContact OD1-CA 3.48Å; L116-G119 WeakPolarHBondContact O-CA 3.31Å; L116-G119 PolarHBondContact O-N 3.17Å; R117-G119 VanDerWaalsContact C-N 3.3Å; G119-R121 PolarHBondContact O-N 3.44Å; G119-S122 WeakPolarHBondContact O-CB 3.47Å; G119-S122 PolarHBondContact O-N 2.99Å
120	T	96	Very high	96.5	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-67.4	-4.6	179.7	58.5	0	0	0	0	114.6	N109 V112 N113 L118 Y125	N109-T120 HydrophobicContact CB-CG2 4.43Å; V112-T120 HydrophobicContact CB-CG2 4.45Å; V112-T120 HydrophobicContact CG1-CG2 4.11Å; N113-T120 PolarHBondContact OD1-N 3.18Å; L118-T120 PolarHBondContact O-N 3.03Å; T120-Y125 HydrophobicContact CG2-CD1 4.36Å; T120-Y125 HydrophobicContact CG2-CE1 3.95Å; T120-Y125 WeakPolarHBondContact O-CD1 3.48Å
121	R	95.7	Very high	96.2	Very high	226 Å²	226	50.5 Å²	50.5	85%	0.853	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-93.6	-3.3	170.9	-59.7	-179.4	-179.7	167	0.4	112.8	L118 G119	L118-R121 WeakPolarHBondContact O-CB 3.34Å; L118-R121 PolarHBondContact O-N 3.08Å; L118-R121 VanDerWaalsContact O-N 3.1Å; G119-R121 PolarHBondContact O-N 3.44Å
122	S	96.4	Very high	96	Very high	6 Å²	6	56 Å²	56	4%	0.042	26%	0.256	C	S	.	.	S	Bend	trans	-65.5	143.3	176.1	179.3	0	0	0	0	110.7	E44 G119 F124 Y125	E44-S122 PolarHBondContact OE1-OG 3.37Å; E44-S122 VanDerWaalsContact OE1-OG 3.12Å; E44-S122 WeakPolarHBondContact OE2-CA 3.25Å; E44-S122 VanDerWaalsContact OE2-CB 3.31Å; E44-S122 WeakPolarHBondContact OE2-CB 3.46Å; E44-S122 PolarHBondContact OE2-OG 2.92Å; G119-S122 WeakPolarHBondContact O-CB 3.47Å; G119-S122 PolarHBondContact O-N 2.99Å; S122-F124 PolarHBondContact O-N 3.46Å; S122-F124 PolarHBondContact OG-N 2.85Å; S122-Y125 PolarHBondContact O-N 2.95Å
123	R	95.6	Very high	95.9	Very high	109 Å²	109	59.7 Å²	59.7	41%	0.411	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.3	173.3	69.9	175.4	-67.4	172.6	1.1	113.2	E44 Y125 H126 E157	E44-R123 HydrophobicContact CB-CG 4.28Å; E44-R123 WeakPolarHBondContact O-CD 3.5Å; E44-R123 PolarHBondContact OE2-N 2.84Å; R123-Y125 VanDerWaalsContact C-N 3.32Å; R123-H126 PolarHBondContact O-CE1 3.46Å; R123-H126 VanDerWaalsContact O-CE1 3.24Å; R123-H126 PolarHBondContact O-NE2 2.97Å; R123-E157 IonicContact CZ-OE2 3.49Å; R123-E157 IonicContact NE-OE2 3.79Å; R123-E157 PolarHBondContact NE-OE2 3.45Å; R123-E157 IonicContact NH2-OE1 3.98Å; R123-E157 PolarHBondContact NH2-OE1 3.02Å; R123-E157 IonicContact NH2-OE2 2.96Å; R123-E157 PolarHBondContact NH2-OE2 3.06Å
124	F	97.8	Very high	95.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	5.8	178	-48.6	-55.6	0	0	0	112.1	E44 C46 A49 L116 S122 H126 E157 C158 S161 I162	E44-F124 HydrophobicContact CG-CD2 4.43Å; E44-F124 HydrophobicContact CG-CE2 3.92Å; E44-F124 WeakPolarHBondContact O-CZ 3.29Å; C46-F124 HydrophobicContact CB-CE2 4.24Å; C46-F124 HydrophobicContact CB-CZ 4.06Å; A49-F124 HydrophobicContact CB-CD2 3.56Å; A49-F124 HydrophobicContact CB-CE2 3.53Å; L116-F124 HydrophobicContact CD1-CB 4.28Å; L116-F124 HydrophobicContact CD2-CB 4.39Å; S122-F124 PolarHBondContact O-N 3.46Å; S122-F124 PolarHBondContact OG-N 2.85Å; F124-H126 PolarHBondContact O-CD2 3Å; F124-E157 HydrophobicContact CE1-CB 4.27Å; F124-C158 HydrophobicContact CB-CB 4.32Å; F124-C158 HydrophobicContact CD1-CB 3.24Å; F124-C158 HydrophobicContact CD2-CB 4.19Å; F124-C158 HydrophobicContact CE1-CB 3.46Å; F124-C158 VanDerWaalsContact CE1-CB 3.46Å; F124-C158 HydrophobicContact CE2-CB 4.34Å; F124-C158 HydrophobicContact CG-CB 3.65Å; F124-C158 HydrophobicContact CZ-CB 4.01Å; F124-S161 WeakPolarHBondContact O-CA 3.3Å; F124-I162 PolarHBondContact O-N 3.49Å
125	Y	98.3	Very high	95.5	Very high	35 Å²	35	62.1 Å²	62.1	14%	0.137	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.9	168.3	171.4	-116	0	0	0	109.7	V112 T120 S122 R123 F127 V164	V112-Y125 HydrophobicContact CB-CD2 4.33Å; V112-Y125 HydrophobicContact CG1-CD2 3.79Å; V112-Y125 HydrophobicContact CG1-CE2 4.35Å; V112-Y125 HydrophobicContact CG1-CG 3.92Å; V112-Y125 HydrophobicContact CG2-CD2 3.51Å; V112-Y125 HydrophobicContact CG2-CE2 3.55Å; V112-Y125 HydrophobicContact CG2-CG 4.44Å; T120-Y125 HydrophobicContact CG2-CD1 4.36Å; T120-Y125 HydrophobicContact CG2-CE1 3.95Å; T120-Y125 WeakPolarHBondContact O-CD1 3.48Å; S122-Y125 PolarHBondContact O-N 2.95Å; R123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-F127 HydrophobicContact CE1-CB 4.11Å; Y125-F127 WeakPolarHBondContact OH-CD2 3.28Å; Y125-V164 HydrophobicContact CE2-CB 4.26Å; Y125-V164 HydrophobicContact CE2-CG2 3.65Å
126	H	98.4	Very high	95.3	Very high	37 Å²	37	66.3 Å²	66.3	17%	0.171	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.7	-176.2	-54.4	-83.9	0	0	0	109.5	R123 F124 Y128 A154 I162 F163 V164	R123-H126 PolarHBondContact O-CE1 3.46Å; R123-H126 VanDerWaalsContact O-CE1 3.24Å; R123-H126 PolarHBondContact O-NE2 2.97Å; F124-H126 PolarHBondContact O-CD2 3Å; H126-Y128 HydrophobicContact CB-CE2 4.04Å; H126-A154 WeakPolarHBondContact NE2-CB 3.13Å; H126-I162 PolarHBondContact N-O 2.95Å; H126-F163 HydrophobicContact CB-CD1 3.52Å; H126-F163 HydrophobicContact CB-CE1 3.89Å; H126-F163 AromaticContact CD2-CD1 3.8Å; H126-F163 AromaticContact CD2-CE1 3.37Å; H126-F163 WeakPolarHBondContact CD2-CE1 3.29Å; H126-F163 AromaticContact CG-CD1 3.81Å; H126-F163 AromaticContact CG-CE1 3.62Å; H126-F163 CarbonylContact O-C 3.23Å; H126-F163 WeakPolarHBondContact O-CA 3.5Å; H126-V164 PolarHBondContact O-N 3.17Å
127	F	98.2	Very high	94.9	Very high	73 Å²	73	69.4 Å²	69.4	32%	0.32	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125	-175.9	-176.8	-93.2	0	0	0	111	Y125 D129 V164 D166	Y125-F127 HydrophobicContact CE1-CB 4.11Å; Y125-F127 WeakPolarHBondContact OH-CD2 3.28Å; F127-D129 HydrophobicContact CE1-CB 3.93Å; F127-V164 WeakPolarHBondContact CA-O 3.49Å; F127-V164 HydrophobicContact CD2-CB 3.81Å; F127-V164 HydrophobicContact CD2-CG1 3.64Å; F127-V164 HydrophobicContact CE2-CB 4.41Å; F127-V164 HydrophobicContact CE2-CG1 3.73Å; F127-D166 HydrophobicContact CE1-CB 4.35Å; F127-D166 HydrophobicContact CE2-CB 3.74Å; F127-D166 HydrophobicContact CZ-CB 3.45Å; F127-D166 VanDerWaalsContact CZ-CB 3.45Å; F127-D166 WeakPolarHBondContact CZ-OD2 3.42Å
128	Y	97.4	Very high	94.8	Very high	21 Å²	21	65.6 Å²	65.6	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	101.9	-179.5	-60.3	-83	0	0	0	110.6	H126 F134 L147 D150 F163 V164 F165 D166	H126-Y128 HydrophobicContact CB-CE2 4.04Å; Y128-F134 AromaticContact CD1-CZ 4Å; Y128-F134 HydrophobicContact CD1-CZ 4Å; Y128-F134 HydrophobicContact CG-CZ 4.34Å; Y128-L147 HydrophobicContact CD1-CD1 4.28Å; Y128-L147 HydrophobicContact CD2-CD1 4.45Å; Y128-L147 HydrophobicContact CE1-CD1 3.83Å; Y128-L147 HydrophobicContact CE2-CD1 4.01Å; Y128-D150 WeakPolarHBondContact OH-CB 3.26Å; Y128-F163 HydrophobicContact CE2-CD1 4.14Å; Y128-V164 PolarHBondContact N-O 3.37Å; Y128-F165 HydrophobicContact CD2-CD1 4.12Å; Y128-F165 AromaticContact CD2-CE1 3.69Å; Y128-F165 HydrophobicContact CD2-CE1 3.69Å; Y128-F165 HydrophobicContact CD2-CE2 4.45Å; Y128-F165 AromaticContact CD2-CZ 3.88Å; Y128-F165 HydrophobicContact CD2-CZ 3.88Å; Y128-F165 HydrophobicContact CE2-CE1 4.33Å; Y128-F165 HydrophobicContact CE2-CZ 4.19Å; Y128-F165 HydrophobicContact CG-CD1 4.26Å; Y128-F165 HydrophobicContact CG-CE1 4.02Å; Y128-F165 CarbonylContact O-C 3.51Å; Y128-F165 WeakPolarHBondContact O-CA 3.49Å; Y128-D166 PolarHBondContact O-N 3.36Å
129	D	95.3	Very high	94.8	Very high	24 Å²	24	67.3 Å²	67.3	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.8	168	-172	-57.3	0	0	0	111.5	F127 T131 I132 H133	F127-D129 HydrophobicContact CE1-CB 3.93Å; D129-T131 VanDerWaalsContact C-N 3.32Å; D129-T131 PolarHBondContact O-N 3.14Å; D129-T131 WeakPolarHBondContact OD1-CA 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.45Å; D129-T131 PolarHBondContact OD1-N 3.11Å; D129-T131 PolarHBondContact OD1-OG1 3.36Å; D129-I132 HydrophobicContact CB-CB 4.16Å; D129-I132 HydrophobicContact CB-CD1 4.07Å; D129-I132 HydrophobicContact CB-CG1 4.16Å; D129-I132 PolarHBondContact O-N 2.91Å; D129-I132 PolarHBondContact OD1-N 3.32Å; D129-H133 PolarHBondContact N-ND1 2.98Å; D129-H133 WeakPolarHBondContact O-CB 3.4Å; D129-H133 PolarHBondContact O-N 2.91Å; D129-H133 PolarHBondContact O-ND1 3.47Å; D129-H133 VanDerWaalsContact O-ND1 3.07Å
130	A	93	Very high	94.6	Very high	1 Å²	1	69 Å²	69	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-39.9	178.8	0	0	0	0	0	114.3	I132 F134 K135 D166 E167 N170 M171	A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.23Å; A130-F134 CarbonylContact O-C 3.51Å; A130-F134 VanDerWaalsContact O-C 3.23Å; A130-F134 WeakPolarHBondContact O-CA 3.16Å; A130-F134 PolarHBondContact O-N 3.21Å; A130-F134 VanDerWaalsContact O-N 3.16Å; A130-K135 PolarHBondContact O-N 3.35Å; A130-D166 PolarHBondContact N-O 3.22Å; A130-D166 VanDerWaalsContact N-O 3.15Å; A130-E167 HydrophobicContact CB-CB 4.21Å; A130-E167 VanDerWaalsContact CB-O 3.23Å; A130-E167 WeakPolarHBondContact CB-O 3.37Å; A130-N170 HydrophobicContact CB-CB 4.16Å; A130-M171 HydrophobicContact CB-CB 4.34Å; A130-M171 HydrophobicContact CB-CE 3.92Å; A130-M171 HydrophobicContact CB-CG 3.35Å
131	T	91.2	Very high	94.5	Very high	71 Å²	71	70.5 Å²	70.5	44%	0.436	35%	0.348	S	S	.	.	H	α-helix	trans	-76.1	-17.5	-174.8	72.6	0	0	0	0	112.8	D129 K135 E167 N170	D129-T131 VanDerWaalsContact C-N 3.32Å; D129-T131 PolarHBondContact O-N 3.14Å; D129-T131 WeakPolarHBondContact OD1-CA 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.45Å; D129-T131 PolarHBondContact OD1-N 3.11Å; D129-T131 PolarHBondContact OD1-OG1 3.36Å; T131-K135 WeakPolarHBondContact O-CB 3.43Å; T131-E167 HydrophobicContact CG2-CB 4.41Å; T131-N170 HydrophobicContact CG2-CB 4.31Å
132	I	94	Very high	94.5	Very high	116 Å²	116	64.7 Å²	64.7	60%	0.595	33%	0.33	S	S	*	.	H	α-helix	trans	-102.6	-57.9	178.4	-58.2	176.3	0	0	0	110.4	D129 A130	D129-I132 HydrophobicContact CB-CB 4.16Å; D129-I132 HydrophobicContact CB-CD1 4.07Å; D129-I132 HydrophobicContact CB-CG1 4.16Å; D129-I132 PolarHBondContact O-N 2.91Å; D129-I132 PolarHBondContact OD1-N 3.32Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.23Å
133	H	95.1	Very high	94.4	Very high	77 Å²	77	65.6 Å²	65.6	36%	0.356	33%	0.333	S	S	.	.	H	α-helix	trans	-83.9	-26.1	-169.1	-55.9	100.8	0	0	0	113	D129	D129-H133 PolarHBondContact N-ND1 2.98Å; D129-H133 WeakPolarHBondContact O-CB 3.4Å; D129-H133 PolarHBondContact O-N 2.91Å; D129-H133 PolarHBondContact O-ND1 3.47Å; D129-H133 VanDerWaalsContact O-ND1 3.07Å
134	F	93.7	Very high	94.4	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.039	33%	0.326	C	S	.	.	S	Bend	trans	-123.1	25.7	-175.3	-48.6	-51.7	0	0	0	112.7	Y128 A130 H136 Y143 L147 M171 P172 I175	Y128-F134 AromaticContact CD1-CZ 4Å; Y128-F134 HydrophobicContact CD1-CZ 4Å; Y128-F134 HydrophobicContact CG-CZ 4.34Å; A130-F134 CarbonylContact O-C 3.51Å; A130-F134 VanDerWaalsContact O-C 3.23Å; A130-F134 WeakPolarHBondContact O-CA 3.16Å; A130-F134 PolarHBondContact O-N 3.21Å; A130-F134 VanDerWaalsContact O-N 3.16Å; F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 2.94Å; F134-H136 VanDerWaalsContact O-N 3.09Å; F134-Y143 HydrophobicContact CB-CD2 4.2Å; F134-Y143 HydrophobicContact CB-CE2 4.42Å; F134-Y143 AromaticContact CD1-CD2 3.98Å; F134-Y143 HydrophobicContact CD1-CD2 3.98Å; F134-Y143 AromaticContact CD1-CG 3.95Å; F134-Y143 HydrophobicContact CD1-CG 3.95Å; F134-L147 HydrophobicContact CZ-CD2 4.23Å; F134-M171 HydrophobicContact CD2-CE 3.93Å; F134-M171 HydrophobicContact CD2-CG 4.11Å; F134-M171 HydrophobicContact CD2-SD 4.08Å; F134-M171 HydrophobicContact CE2-CE 3.9Å; F134-M171 HydrophobicContact CE2-SD 4.23Å; F134-P172 HydrophobicContact CB-CG 4.24Å; F134-P172 WeakPolarHBondContact O-CD 3.45Å; F134-P172 WeakPolarHBondContact O-CG 3.34Å; F134-I175 HydrophobicContact CD1-CG1 4.39Å; F134-I175 HydrophobicContact CE1-CG1 4.47Å
135	K	91.1	Very high	94.2	Very high	142 Å²	142	69.1 Å²	69.1	62%	0.617	35%	0.353	S	S	*	.			trans	-54.7	-33.5	-170.1	-172.8	175.6	-178.8	177.1	0	115.3	A130 T131	A130-K135 PolarHBondContact O-N 3.35Å; T131-K135 WeakPolarHBondContact O-CB 3.43Å
136	H	91.9	Very high	94.1	Very high	88 Å²	88	75 Å²	75	41%	0.407	38%	0.375	S	S	.	.			trans	-113.3	105.2	-172	-59.2	-65.2	0	0	0	111.4	F134 S138 R139 Y143	F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 2.94Å; F134-H136 VanDerWaalsContact O-N 3.09Å; H136-S138 PolarHBondContact O-N 3.21Å; H136-S138 VanDerWaalsContact O-N 3.08Å; H136-R139 HydrophobicContact CB-CG 4.37Å; H136-R139 PolarHBondContact O-N 3.46Å; H136-Y143 WeakPolarHBondContact O-CE2 3.12Å
137	A	88.2	Confident	94	Very high	66 Å²	66	73.3 Å²	73.3	55%	0.545	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.3	179.4	0	0	0	0	0	113.7	R139 I140 P172	A137-R139 PolarHBondContact O-N 3.45Å; A137-I140 WeakPolarHBondContact O-CB 3.47Å; A137-I140 WeakPolarHBondContact O-CG2 3.42Å; A137-I140 PolarHBondContact O-N 3.43Å; A137-P172 HydrophobicContact CB-CB 4.22Å; A137-P172 HydrophobicContact CB-CG 4.39Å
138	S	93.3	Very high	93.9	Very high	113 Å²	113	72 Å²	72	79%	0.79	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-64.3	-16.9	176.3	55.9	0	0	0	0	114.6	H136	H136-S138 PolarHBondContact O-N 3.21Å; H136-S138 VanDerWaalsContact O-N 3.08Å
139	R	94.4	Very high	93.8	Very high	130 Å²	130	76 Å²	76	49%	0.491	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-102.8	15.2	179.1	-62.4	-168.8	-177.6	-167.3	1	113.4	H136 A137 S141 E142 Y143	H136-R139 HydrophobicContact CB-CG 4.37Å; H136-R139 PolarHBondContact O-N 3.46Å; A137-R139 PolarHBondContact O-N 3.45Å; R139-S141 PolarHBondContact O-N 3Å; R139-S141 VanDerWaalsContact O-N 3.15Å; R139-E142 WeakPolarHBondContact O-CB 3.23Å; R139-E142 PolarHBondContact O-N 3.06Å; R139-E142 VanDerWaalsContact O-N 3.09Å; R139-Y143 HydrophobicContact CB-CD1 4.34Å; R139-Y143 HydrophobicContact CB-CD2 4.33Å; R139-Y143 HydrophobicContact CB-CE1 3.79Å; R139-Y143 HydrophobicContact CB-CE2 3.79Å; R139-Y143 VanDerWaalsContact CB-CZ 3.48Å; R139-Y143 PolarHBondContact O-N 3.15Å
140	I	91.7	Very high	93.9	Very high	39 Å²	39	77.6 Å²	77.6	20%	0.2	39%	0.389	C	S	.	.	H	α-helix	trans	-54.1	-37.9	-174.9	-173.4	162.2	0	0	0	113.8	A137 Y143 K144 P172 H173 I175	A137-I140 WeakPolarHBondContact O-CB 3.47Å; A137-I140 WeakPolarHBondContact O-CG2 3.42Å; A137-I140 PolarHBondContact O-N 3.43Å; I140-Y143 PolarHBondContact O-N 3.14Å; I140-K144 HydrophobicContact CG1-CD 4.44Å; I140-K144 HydrophobicContact CG1-CG 4.37Å; I140-K144 WeakPolarHBondContact O-CG 3.4Å; I140-K144 PolarHBondContact O-N 2.89Å; I140-P172 HydrophobicContact CD1-CB 4.03Å; I140-H173 WeakPolarHBondContact CD1-O 3.25Å; I140-I175 HydrophobicContact CD1-CB 4.38Å; I140-I175 HydrophobicContact CG1-CD1 4.47Å
141	S	93.7	Very high	94	Very high	94 Å²	94	77.5 Å²	77.5	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-63.5	-43.9	178.9	-54.5	0	0	0	0	112.3	R139 K144 E145	R139-S141 PolarHBondContact O-N 3Å; R139-S141 VanDerWaalsContact O-N 3.15Å; S141-K144 PolarHBondContact O-N 3.1Å; S141-E145 PolarHBondContact O-N 3.39Å
142	E	95.7	Very high	94.3	Very high	103 Å²	103	75 Å²	75	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.4	-176.6	-168	157.3	0	0	110.8	R139 K144 E145 R146	R139-E142 WeakPolarHBondContact O-CB 3.23Å; R139-E142 PolarHBondContact O-N 3.06Å; R139-E142 VanDerWaalsContact O-N 3.09Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.22Å; E142-E145 PolarHBondContact O-N 3.24Å; E142-R146 WeakPolarHBondContact O-CB 3.46Å; E142-R146 PolarHBondContact O-N 2.74Å
143	Y	95.3	Very high	94.4	Very high	25 Å²	25	73.3 Å²	73.3	10%	0.098	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-38.5	178.7	-60.3	-22.2	0	0	0	112.6	F134 H136 R139 I140 L147	F134-Y143 HydrophobicContact CB-CD2 4.2Å; F134-Y143 HydrophobicContact CB-CE2 4.42Å; F134-Y143 AromaticContact CD1-CD2 3.98Å; F134-Y143 HydrophobicContact CD1-CD2 3.98Å; F134-Y143 AromaticContact CD1-CG 3.95Å; F134-Y143 HydrophobicContact CD1-CG 3.95Å; H136-Y143 WeakPolarHBondContact O-CE2 3.12Å; R139-Y143 HydrophobicContact CB-CD1 4.34Å; R139-Y143 HydrophobicContact CB-CD2 4.33Å; R139-Y143 HydrophobicContact CB-CE1 3.79Å; R139-Y143 HydrophobicContact CB-CE2 3.79Å; R139-Y143 VanDerWaalsContact CB-CZ 3.48Å; R139-Y143 PolarHBondContact O-N 3.15Å; I140-Y143 PolarHBondContact O-N 3.14Å; Y143-L147 WeakPolarHBondContact O-CB 3.33Å; Y143-L147 PolarHBondContact O-N 2.89Å
144	K	94.2	Very high	94.5	Very high	61 Å²	61	69.8 Å²	69.8	27%	0.265	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-49.1	175.4	-79	-177	174.2	-161.4	0	111.5	I140 S141 E142 L147 Y148 G174 I175	I140-K144 HydrophobicContact CG1-CD 4.44Å; I140-K144 HydrophobicContact CG1-CG 4.37Å; I140-K144 WeakPolarHBondContact O-CG 3.4Å; I140-K144 PolarHBondContact O-N 2.89Å; S141-K144 PolarHBondContact O-N 3.1Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.22Å; K144-L147 PolarHBondContact O-N 2.96Å; K144-Y148 WeakPolarHBondContact O-CB 3.27Å; K144-Y148 PolarHBondContact O-N 2.72Å; K144-G174 WeakPolarHBondContact CE-O 3.4Å; K144-G174 PolarHBondContact NZ-O 3.2Å; K144-I175 HydrophobicContact CB-CD1 4.4Å; K144-I175 HydrophobicContact CG-CD1 3.65Å
145	E	95.3	Very high	94.6	Very high	126 Å²	126	69.5 Å²	69.5	59%	0.589	35%	0.35	S	S	*	.	H	α-helix	trans	-62.2	-48.3	-179.2	-176.3	173.7	-169.7	0	0	111.3	S141 E142 Y148 Q149	S141-E145 PolarHBondContact O-N 3.39Å; E142-E145 PolarHBondContact O-N 3.24Å; E145-Y148 PolarHBondContact O-N 3.26Å; E145-Q149 WeakPolarHBondContact O-CG 3.48Å; E145-Q149 PolarHBondContact O-N 3.01Å
146	R	95.8	Very high	94.8	Very high	158 Å²	158	66.7 Å²	66.7	60%	0.596	35%	0.348	S	S	*	.	H	α-helix	trans	-61.2	-47.6	177.3	-177.9	177.3	177.3	171.1	1.6	112.2	E142 Y148 Q149 D150	E142-R146 WeakPolarHBondContact O-CB 3.46Å; E142-R146 PolarHBondContact O-N 2.74Å; R146-Y148 VanDerWaalsContact C-N 3.32Å; R146-Y148 PolarHBondContact O-N 2.81Å; R146-Q149 PolarHBondContact O-N 3.44Å; R146-D150 IonicContact NE-OD2 3.9Å; R146-D150 WeakPolarHBondContact O-CB 2.83Å; R146-D150 VanDerWaalsContact O-CG 3.25Å; R146-D150 PolarHBondContact O-N 3.07Å
147	L	96.3	Very high	95	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-43.7	179.7	178.9	59.2	0	0	0	111	Y128 F134 Y143 K144 Q149 D150 L151 F165 I175 I178 L179	Y128-L147 HydrophobicContact CD1-CD1 4.28Å; Y128-L147 HydrophobicContact CD2-CD1 4.45Å; Y128-L147 HydrophobicContact CE1-CD1 3.83Å; Y128-L147 HydrophobicContact CE2-CD1 4.01Å; F134-L147 HydrophobicContact CZ-CD2 4.23Å; Y143-L147 WeakPolarHBondContact O-CB 3.33Å; Y143-L147 PolarHBondContact O-N 2.89Å; K144-L147 PolarHBondContact O-N 2.96Å; L147-Q149 PolarHBondContact O-N 3.12Å; L147-D150 PolarHBondContact O-N 3.24Å; L147-L151 HydrophobicContact CD1-CD1 4.03Å; L147-L151 HydrophobicContact CD1-CD2 4.44Å; L147-L151 HydrophobicContact CD1-CG 4.05Å; L147-L151 HydrophobicContact CG-CD1 3.95Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CB 3.08Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.36Å; L147-F165 HydrophobicContact CD1-CE1 3.93Å; L147-F165 HydrophobicContact CD1-CZ 4.1Å; L147-F165 HydrophobicContact CD2-CE1 3.98Å; L147-F165 HydrophobicContact CD2-CZ 4.49Å; L147-I175 HydrophobicContact CD2-CG1 4.43Å; L147-I178 HydrophobicContact CD2-CG2 3.94Å; L147-I178 HydrophobicContact CG-CG2 4.4Å; L147-L179 HydrophobicContact CD2-CD2 4.37Å
148	Y	94.7	Very high	95.4	Very high	46 Å²	46	63.6 Å²	63.6	18%	0.18	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-47.3	177.2	-171.9	-101.4	0	0	0	112	K144 E145 R146 L151 H152 I178 L182 E190	K144-Y148 WeakPolarHBondContact O-CB 3.27Å; K144-Y148 PolarHBondContact O-N 2.72Å; E145-Y148 PolarHBondContact O-N 3.26Å; R146-Y148 VanDerWaalsContact C-N 3.32Å; R146-Y148 PolarHBondContact O-N 2.81Å; Y148-L151 PolarHBondContact O-N 2.66Å; Y148-H152 AromaticContact CD1-CD2 3.98Å; Y148-H152 AromaticContact CE1-CD2 3.73Å; Y148-H152 AromaticContact CE1-NE2 3.66Å; Y148-H152 AromaticContact CE2-CD2 3.82Å; Y148-H152 AromaticContact CE2-NE2 3.39Å; Y148-H152 WeakPolarHBondContact CE2-NE2 3.23Å; Y148-H152 AromaticContact CZ-CD2 3.67Å; Y148-H152 AromaticContact CZ-CE1 3.86Å; Y148-H152 AromaticContact CZ-NE2 3.15Å; Y148-H152 PolarHBondContact O-CD2 2.93Å; Y148-H152 VanDerWaalsContact O-CD2 3.31Å; Y148-H152 PolarHBondContact O-N 3.12Å; Y148-H152 PolarHBondContact OH-NE2 3.3Å; Y148-I178 HydrophobicContact CD2-CD1 4Å; Y148-I178 HydrophobicContact CD2-CG1 3.82Å; Y148-I178 HydrophobicContact CG-CD1 4.43Å; Y148-I178 HydrophobicContact CG-CG1 4.27Å; Y148-L182 HydrophobicContact CE2-CD2 4.02Å; Y148-E190 PolarHBondContact OH-OE1 3.49Å
149	Q	95.8	Very high	95.5	Very high	103 Å²	103	60.7 Å²	60.7	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-43.9	177.9	-70.6	173.6	2.9	0	0	112.3	E145 R146 L147 L151 H152 T153	E145-Q149 WeakPolarHBondContact O-CG 3.48Å; E145-Q149 PolarHBondContact O-N 3.01Å; R146-Q149 PolarHBondContact O-N 3.44Å; L147-Q149 PolarHBondContact O-N 3.12Å; Q149-L151 VanDerWaalsContact C-N 3.35Å; Q149-L151 PolarHBondContact O-N 3.28Å; Q149-H152 PolarHBondContact O-N 3.36Å; Q149-T153 WeakPolarHBondContact O-CB 3.38Å; Q149-T153 PolarHBondContact O-N 2.76Å; Q149-T153 PolarHBondContact O-OG1 3.43Å
150	D	97.1	Very high	95.5	Very high	58 Å²	58	55.4 Å²	55.4	31%	0.31	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-44.8	178.4	-72.8	-11.3	0	0	0	110.8	Y128 R146 L147 T153 A154	Y128-D150 WeakPolarHBondContact OH-CB 3.26Å; R146-D150 IonicContact NE-OD2 3.9Å; R146-D150 WeakPolarHBondContact O-CB 2.83Å; R146-D150 VanDerWaalsContact O-CG 3.25Å; R146-D150 PolarHBondContact O-N 3.07Å; L147-D150 PolarHBondContact O-N 3.24Å; D150-T153 PolarHBondContact O-N 2.58Å; D150-A154 VanDerWaalsContact O-CB 3.27Å; D150-A154 WeakPolarHBondContact O-CB 3.46Å; D150-A154 PolarHBondContact O-N 3.06Å
151	L	96.7	Very high	95.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-47.1	178.8	-68.1	171.4	0	0	0	112.1	L147 Y148 Q149 T153 A154 V155 F163 L179 L182 F194 F199	L147-L151 HydrophobicContact CD1-CD1 4.03Å; L147-L151 HydrophobicContact CD1-CD2 4.44Å; L147-L151 HydrophobicContact CD1-CG 4.05Å; L147-L151 HydrophobicContact CG-CD1 3.95Å; L147-L151 HydrophobicContact CG-CG 4.41Å; L147-L151 WeakPolarHBondContact O-CB 3.08Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.36Å; Y148-L151 PolarHBondContact O-N 2.66Å; Q149-L151 VanDerWaalsContact C-N 3.35Å; Q149-L151 PolarHBondContact O-N 3.28Å; L151-T153 VanDerWaalsContact C-N 3.32Å; L151-T153 PolarHBondContact O-N 3.31Å; L151-A154 PolarHBondContact O-N 3.26Å; L151-V155 WeakPolarHBondContact O-CG2 3.43Å; L151-V155 PolarHBondContact O-N 2.76Å; L151-F163 HydrophobicContact CD2-CB 4.49Å; L151-F163 HydrophobicContact CD2-CD1 3.29Å; L151-F163 HydrophobicContact CD2-CD2 4.07Å; L151-F163 HydrophobicContact CD2-CE1 3.35Å; L151-F163 HydrophobicContact CD2-CE2 4.1Å; L151-F163 HydrophobicContact CD2-CG 3.68Å; L151-F163 HydrophobicContact CD2-CZ 3.77Å; L151-L179 HydrophobicContact CD1-CD2 3.21Å; L151-L182 HydrophobicContact CB-CD1 4.25Å; L151-L182 HydrophobicContact CD1-CD1 3.62Å; L151-F194 HydrophobicContact CB-CE1 4.28Å; L151-F199 HydrophobicContact CD2-CE1 4.09Å
152	H	95.7	Very high	96.1	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-42.5	177.1	-88.4	-103.3	0	0	0	111.7	Y148 Q149 S156 V189 E190 F194	Y148-H152 AromaticContact CD1-CD2 3.98Å; Y148-H152 AromaticContact CE1-CD2 3.73Å; Y148-H152 AromaticContact CE1-NE2 3.66Å; Y148-H152 AromaticContact CE2-CD2 3.82Å; Y148-H152 AromaticContact CE2-NE2 3.39Å; Y148-H152 WeakPolarHBondContact CE2-NE2 3.23Å; Y148-H152 AromaticContact CZ-CD2 3.67Å; Y148-H152 AromaticContact CZ-CE1 3.86Å; Y148-H152 AromaticContact CZ-NE2 3.15Å; Y148-H152 PolarHBondContact O-CD2 2.93Å; Y148-H152 VanDerWaalsContact O-CD2 3.31Å; Y148-H152 PolarHBondContact O-N 3.12Å; Y148-H152 PolarHBondContact OH-NE2 3.3Å; Q149-H152 PolarHBondContact O-N 3.36Å; H152-S156 VanDerWaalsContact O-CB 3.23Å; H152-S156 WeakPolarHBondContact O-CB 3.41Å; H152-S156 PolarHBondContact O-N 3.18Å; H152-S156 PolarHBondContact O-OG 3.48Å; H152-V189 PolarHBondContact CE1-O 2.88Å; H152-E190 IonicContact CE1-OE2 2.95Å; H152-E190 IonicContact ND1-OE2 3.34Å; H152-F194 AromaticContact CD2-CZ 3.83Å; H152-F194 AromaticContact CE1-CE2 3.98Å; H152-F194 AromaticContact NE2-CE2 3.92Å; H152-F194 AromaticContact NE2-CZ 3.85Å
153	T	96.8	Very high	96.2	Very high	80 Å²	80	44.2 Å²	44.2	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-63.8	-50.2	178	-57.1	0	0	0	0	110.7	Q149 D150 L151 V155 S156 E157	Q149-T153 WeakPolarHBondContact O-CB 3.38Å; Q149-T153 PolarHBondContact O-N 2.76Å; Q149-T153 PolarHBondContact O-OG1 3.43Å; D150-T153 PolarHBondContact O-N 2.58Å; L151-T153 VanDerWaalsContact C-N 3.32Å; L151-T153 PolarHBondContact O-N 3.31Å; T153-V155 PolarHBondContact O-N 2.88Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 3.05Å; T153-E157 WeakPolarHBondContact O-CG 3.42Å; T153-E157 PolarHBondContact O-N 2.89Å
154	A	97.6	Very high	96.3	Very high	4 Å²	4	43 Å²	43	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-48	-179.7	0	0	0	0	0	112.6	H126 D150 L151 S156 E157 C158 S161 F163	H126-A154 WeakPolarHBondContact NE2-CB 3.13Å; D150-A154 VanDerWaalsContact O-CB 3.27Å; D150-A154 WeakPolarHBondContact O-CB 3.46Å; D150-A154 PolarHBondContact O-N 3.06Å; L151-A154 PolarHBondContact O-N 3.26Å; A154-S156 VanDerWaalsContact C-N 3.34Å; A154-S156 PolarHBondContact O-N 2.99Å; A154-E157 PolarHBondContact O-N 3.05Å; A154-C158 PolarHBondContact O-N 3.4Å; A154-S161 PolarHBondContact O-OG 3.48Å; A154-F163 HydrophobicContact CB-CE1 3.71Å; A154-F163 HydrophobicContact CB-CZ 3.67Å
155	V	96.5	Very high	96.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-71.8	-31.1	-178.8	-179.9	0	0	0	0	111.9	L151 T153 E157 C158 F163 V192 D193 F194 S197	L151-V155 WeakPolarHBondContact O-CG2 3.43Å; L151-V155 PolarHBondContact O-N 2.76Å; T153-V155 PolarHBondContact O-N 2.88Å; V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 3.33Å; V155-C158 WeakPolarHBondContact CA-O 3.19Å; V155-C158 CarbonylContact O-C 3.14Å; V155-C158 PolarHBondContact O-N 3.33Å; V155-F163 HydrophobicContact CG2-CE2 3.71Å; V155-F163 HydrophobicContact CG2-CZ 3.69Å; V155-V192 HydrophobicContact CB-CG1 3.67Å; V155-V192 HydrophobicContact CG1-CG1 3.4Å; V155-D193 VanDerWaalsContact CG1-O 3.32Å; V155-D193 WeakPolarHBondContact CG1-O 3.39Å; V155-F194 HydrophobicContact CB-CD1 4.15Å; V155-F194 HydrophobicContact CB-CE1 3.9Å; V155-F194 HydrophobicContact CB-CZ 4.23Å; V155-F194 HydrophobicContact CG1-CD1 4.08Å; V155-F194 HydrophobicContact CG1-CD2 4.49Å; V155-F194 HydrophobicContact CG1-CE1 4.27Å; V155-F194 HydrophobicContact CG1-CG 4.17Å; V155-F194 HydrophobicContact CG2-CD1 3.6Å; V155-F194 HydrophobicContact CG2-CE1 3.45Å; V155-F194 VanDerWaalsContact CG2-CE1 3.45Å; V155-F194 HydrophobicContact CG2-CG 4.48Å; V155-F194 HydrophobicContact CG2-CZ 4.25Å; V155-S197 VanDerWaalsContact CG2-OG 3.29Å; V155-S197 WeakPolarHBondContact CG2-OG 3.35Å
156	S	95	Very high	96.5	Very high	82 Å²	82	34.4 Å²	34.4	57%	0.573	18%	0.176	S	C	*	.	H	α-helix	trans	-63.3	-36.2	170.7	-61.2	0	0	0	0	112.3	H152 T153 A154 V192	H152-S156 VanDerWaalsContact O-CB 3.23Å; H152-S156 WeakPolarHBondContact O-CB 3.41Å; H152-S156 PolarHBondContact O-N 3.18Å; H152-S156 PolarHBondContact O-OG 3.48Å; T153-S156 WeakPolarHBondContact O-CB 3.37Å; T153-S156 PolarHBondContact O-N 3.05Å; A154-S156 VanDerWaalsContact C-N 3.34Å; A154-S156 PolarHBondContact O-N 2.99Å; S156-V192 VanDerWaalsContact OG-CG2 3.28Å; S156-V192 WeakPolarHBondContact OG-CG2 3.44Å
157	E	95	Very high	96.3	Very high	90 Å²	90	28.9 Å²	28.9	42%	0.421	16%	0.157	S	C	.	.	H	α-helix	trans	-75.4	-40.6	175.5	-69.4	-173.8	162.6	0	0	112.5	R123 F124 T153 A154 V155	R123-E157 IonicContact CZ-OE2 3.49Å; R123-E157 IonicContact NE-OE2 3.79Å; R123-E157 PolarHBondContact NE-OE2 3.45Å; R123-E157 IonicContact NH2-OE1 3.98Å; R123-E157 PolarHBondContact NH2-OE1 3.02Å; R123-E157 IonicContact NH2-OE2 2.96Å; R123-E157 PolarHBondContact NH2-OE2 3.06Å; F124-E157 HydrophobicContact CE1-CB 4.27Å; T153-E157 WeakPolarHBondContact O-CG 3.42Å; T153-E157 PolarHBondContact O-N 2.89Å; A154-E157 PolarHBondContact O-N 3.05Å; V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 3.33Å
158	C	96.3	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.			trans	-149.9	116	175.1	-167.6	0	0	0	0	112.2	C46 F124 A154 V155 T160 S161	C46-C158 HydrophobicContact CB-CB 3.52Å; C46-C158 WeakPolarHBondContact CB-SG 3.48Å; C46-C158 WeakPolarHBondContact SG-CA 3.49Å; C46-C158 WeakPolarHBondContact SG-CB 3.38Å; C46-C158 CovalentContact SG-SG 2.05Å; C46-C158 PolarHBondContact SG-SG 2.83Å; F124-C158 HydrophobicContact CB-CB 4.32Å; F124-C158 HydrophobicContact CD1-CB 3.24Å; F124-C158 HydrophobicContact CD2-CB 4.19Å; F124-C158 HydrophobicContact CE1-CB 3.46Å; F124-C158 VanDerWaalsContact CE1-CB 3.46Å; F124-C158 HydrophobicContact CE2-CB 4.34Å; F124-C158 HydrophobicContact CG-CB 3.65Å; F124-C158 HydrophobicContact CZ-CB 4.01Å; A154-C158 PolarHBondContact O-N 3.4Å; V155-C158 WeakPolarHBondContact CA-O 3.19Å; V155-C158 CarbonylContact O-C 3.14Å; V155-C158 PolarHBondContact O-N 3.33Å; C158-T160 PolarHBondContact O-N 3.48Å; C158-S161 WeakPolarHBondContact O-CB 3.27Å; C158-S161 PolarHBondContact O-N 3.47Å; C158-S161 VanDerWaalsContact O-N 3.14Å; C158-S161 PolarHBondContact O-OG 2.96Å
159	P	95.2	Very high	95.7	Very high	51 Å²	51	28.8 Å²	28.8	33%	0.331	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.9	179.2	-27.4	35.8	0	0	0	114.7	S161 K196 S197	P159-S161 VanDerWaalsContact C-N 3.33Å; P159-K196 HydrophobicContact CB-CB 4.26Å; P159-K196 HydrophobicContact CB-CD 4.44Å; P159-K196 CarbonylContact O-C 3.56Å; P159-K196 WeakPolarHBondContact O-CB 3.27Å; P159-S197 WeakPolarHBondContact O-CA 3.41Å; P159-S197 PolarHBondContact O-N 3.47Å; P159-S197 VanDerWaalsContact O-N 3.08Å; P159-S197 PolarHBondContact O-OG 2.85Å; P159-S197 VanDerWaalsContact O-OG 3.12Å
160	T	95.9	Very high	95.4	Very high	20 Å²	20	27.8 Å²	27.8	12%	0.123	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	38.3	178.2	-42.7	0	0	0	0	111.1	V50 V115 C158	V50-T160 HydrophobicContact CG1-CG2 4.1Å; V50-T160 HydrophobicContact CG2-CG2 4.02Å; V115-T160 HydrophobicContact CG1-CG2 4.25Å; C158-T160 PolarHBondContact O-N 3.48Å
161	S	97.8	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.			trans	-71	142.9	173.1	-67	0	0	0	0	110.8	F124 A154 C158 P159 S197 I198	F124-S161 WeakPolarHBondContact O-CA 3.3Å; A154-S161 PolarHBondContact O-OG 3.48Å; C158-S161 WeakPolarHBondContact O-CB 3.27Å; C158-S161 PolarHBondContact O-N 3.47Å; C158-S161 VanDerWaalsContact O-N 3.14Å; C158-S161 PolarHBondContact O-OG 2.96Å; P159-S161 VanDerWaalsContact C-N 3.33Å; S161-S197 WeakPolarHBondContact O-CA 3.38Å; S161-I198 PolarHBondContact O-N 3.26Å
162	I	98.7	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.3	179.8	-51.6	-179.1	0	0	0	109	V112 V115 L116 F124 H126 V164 I198 I200	V112-I162 HydrophobicContact CB-CD1 4.48Å; V112-I162 HydrophobicContact CG2-CD1 4.1Å; V112-I162 HydrophobicContact CG2-CG2 3.99Å; V115-I162 HydrophobicContact CB-CD1 3.92Å; V115-I162 HydrophobicContact CG1-CD1 3.9Å; L116-I162 HydrophobicContact CD1-CD1 3.95Å; L116-I162 HydrophobicContact CD1-CG1 4.19Å; L116-I162 HydrophobicContact CG-CD1 4Å; F124-I162 PolarHBondContact O-N 3.49Å; H126-I162 PolarHBondContact N-O 2.95Å; I162-V164 HydrophobicContact CG2-CG2 4.48Å; I162-I198 CarbonylContact C-O 3.6Å; I162-I198 WeakPolarHBondContact CA-O 3.47Å; I162-I198 HydrophobicContact CD1-CD1 4.38Å; I162-I198 HydrophobicContact CG1-CB 4.22Å; I162-I198 HydrophobicContact CG1-CD1 4.26Å; I162-I198 HydrophobicContact CG2-CB 4.27Å; I162-I198 HydrophobicContact CG2-CG2 4.28Å; I162-I200 HydrophobicContact CG2-CD1 4.1Å
163	F	98.5	Very high	94.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.4	179.6	-54	-80.1	0	0	0	109.9	H126 Y128 L151 A154 V155 F165 I198 F199 I200	H126-F163 HydrophobicContact CB-CD1 3.52Å; H126-F163 HydrophobicContact CB-CE1 3.89Å; H126-F163 AromaticContact CD2-CD1 3.8Å; H126-F163 AromaticContact CD2-CE1 3.37Å; H126-F163 WeakPolarHBondContact CD2-CE1 3.29Å; H126-F163 AromaticContact CG-CD1 3.81Å; H126-F163 AromaticContact CG-CE1 3.62Å; H126-F163 CarbonylContact O-C 3.23Å; H126-F163 WeakPolarHBondContact O-CA 3.5Å; Y128-F163 HydrophobicContact CE2-CD1 4.14Å; L151-F163 HydrophobicContact CD2-CB 4.49Å; L151-F163 HydrophobicContact CD2-CD1 3.29Å; L151-F163 HydrophobicContact CD2-CD2 4.07Å; L151-F163 HydrophobicContact CD2-CE1 3.35Å; L151-F163 HydrophobicContact CD2-CE2 4.1Å; L151-F163 HydrophobicContact CD2-CG 3.68Å; L151-F163 HydrophobicContact CD2-CZ 3.77Å; A154-F163 HydrophobicContact CB-CE1 3.71Å; A154-F163 HydrophobicContact CB-CZ 3.67Å; V155-F163 HydrophobicContact CG2-CE2 3.71Å; V155-F163 HydrophobicContact CG2-CZ 3.69Å; F163-F165 HydrophobicContact CB-CD2 4.44Å; F163-F165 HydrophobicContact CB-CE2 3.71Å; F163-F165 HydrophobicContact CB-CZ 4.41Å; F163-I198 PolarHBondContact N-O 2.86Å; F163-F199 HydrophobicContact CB-CD1 3.96Å; F163-F199 HydrophobicContact CB-CE1 4.15Å; F163-F199 HydrophobicContact CD2-CD1 4.12Å; F163-F199 HydrophobicContact CD2-CD2 4.46Å; F163-F199 AromaticContact CD2-CE1 3.7Å; F163-F199 HydrophobicContact CD2-CE1 3.7Å; F163-F199 HydrophobicContact CD2-CE2 4.1Å; F163-F199 HydrophobicContact CD2-CG 4.47Å; F163-F199 AromaticContact CD2-CZ 3.69Å; F163-F199 HydrophobicContact CD2-CZ 3.69Å; F163-F199 HydrophobicContact CE2-CE1 4.43Å; F163-F199 HydrophobicContact CE2-CZ 4.07Å; F163-F199 HydrophobicContact CG-CD1 4.35Å; F163-F199 HydrophobicContact CG-CE1 4.07Å; F163-F199 HydrophobicContact CG-CZ 4.49Å; F163-F199 CarbonylContact O-C 3.58Å; F163-F199 WeakPolarHBondContact O-CA 3.33Å; F163-I200 PolarHBondContact O-N 3.24Å
164	V	98.4	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.2	175.3	177.1	0	0	0	0	109.4	Y125 H126 F127 Y128 I162 I200 L202	Y125-V164 HydrophobicContact CE2-CB 4.26Å; Y125-V164 HydrophobicContact CE2-CG2 3.65Å; H126-V164 PolarHBondContact O-N 3.17Å; F127-V164 WeakPolarHBondContact CA-O 3.49Å; F127-V164 HydrophobicContact CD2-CB 3.81Å; F127-V164 HydrophobicContact CD2-CG1 3.64Å; F127-V164 HydrophobicContact CE2-CB 4.41Å; F127-V164 HydrophobicContact CE2-CG1 3.73Å; Y128-V164 PolarHBondContact N-O 3.37Å; I162-V164 HydrophobicContact CG2-CG2 4.48Å; V164-I200 CarbonylContact C-O 3.55Å; V164-I200 VanDerWaalsContact CA-O 3.31Å; V164-I200 WeakPolarHBondContact CA-O 3.22Å; V164-I200 HydrophobicContact CG2-CB 4.12Å; V164-I200 HydrophobicContact CG2-CD1 4.17Å; V164-L202 HydrophobicContact CG1-CD1 3.57Å; V164-L202 HydrophobicContact CG1-CG 4.06Å
165	F	96.8	Very high	93.4	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	101	176.6	-68.5	-89.7	0	0	0	108.8	Y128 L147 F163 M171 L176 L179 F199 I200 F201 L202	Y128-F165 HydrophobicContact CD2-CD1 4.12Å; Y128-F165 AromaticContact CD2-CE1 3.69Å; Y128-F165 HydrophobicContact CD2-CE1 3.69Å; Y128-F165 HydrophobicContact CD2-CE2 4.45Å; Y128-F165 AromaticContact CD2-CZ 3.88Å; Y128-F165 HydrophobicContact CD2-CZ 3.88Å; Y128-F165 HydrophobicContact CE2-CE1 4.33Å; Y128-F165 HydrophobicContact CE2-CZ 4.19Å; Y128-F165 HydrophobicContact CG-CD1 4.26Å; Y128-F165 HydrophobicContact CG-CE1 4.02Å; Y128-F165 CarbonylContact O-C 3.51Å; Y128-F165 WeakPolarHBondContact O-CA 3.49Å; L147-F165 HydrophobicContact CD1-CE1 3.93Å; L147-F165 HydrophobicContact CD1-CZ 4.1Å; L147-F165 HydrophobicContact CD2-CE1 3.98Å; L147-F165 HydrophobicContact CD2-CZ 4.49Å; F163-F165 HydrophobicContact CB-CD2 4.44Å; F163-F165 HydrophobicContact CB-CE2 3.71Å; F163-F165 HydrophobicContact CB-CZ 4.41Å; F165-M171 HydrophobicContact CB-CE 3.81Å; F165-M171 HydrophobicContact CD1-CE 3.97Å; F165-M171 HydrophobicContact CD1-SD 4.46Å; F165-M171 HydrophobicContact CG-CE 4.39Å; F165-L176 HydrophobicContact CD1-CD2 4.37Å; F165-L179 HydrophobicContact CE1-CD1 4.5Å; F165-L179 HydrophobicContact CE2-CD1 4.15Å; F165-L179 HydrophobicContact CZ-CD1 4.02Å; F165-L179 HydrophobicContact CZ-CD2 4.32Å; F165-F199 AromaticContact CE2-CD1 3.89Å; F165-F199 HydrophobicContact CE2-CD1 3.89Å; F165-F199 HydrophobicContact CE2-CE1 4.4Å; F165-I200 PolarHBondContact N-O 2.85Å; F165-F201 HydrophobicContact CB-CD1 3.73Å; F165-F201 HydrophobicContact CB-CE1 4.24Å; F165-F201 AromaticContact CD2-CD1 3.84Å; F165-F201 HydrophobicContact CD2-CD1 3.84Å; F165-F201 AromaticContact CD2-CE1 3.55Å; F165-F201 HydrophobicContact CD2-CE1 3.55Å; F165-F201 HydrophobicContact CD2-CZ 4.39Å; F165-F201 HydrophobicContact CE2-CE1 4.1Å; F165-F201 AromaticContact CG-CD1 3.98Å; F165-F201 HydrophobicContact CG-CD1 3.98Å; F165-F201 AromaticContact CG-CE1 3.97Å; F165-F201 HydrophobicContact CG-CE1 3.97Å; F165-L202 PolarHBondContact O-N 3.07Å
166	D	96.1	Very high	93.1	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	154	-176.9	-157.5	7.4	0	0	0	112.5	N105 F127 Y128 A130 M168 M171 L202	N105-D166 PolarHBondContact ND2-OD2 2.88Å; F127-D166 HydrophobicContact CE1-CB 4.35Å; F127-D166 HydrophobicContact CE2-CB 3.74Å; F127-D166 HydrophobicContact CZ-CB 3.45Å; F127-D166 VanDerWaalsContact CZ-CB 3.45Å; F127-D166 WeakPolarHBondContact CZ-OD2 3.42Å; Y128-D166 PolarHBondContact O-N 3.36Å; A130-D166 PolarHBondContact N-O 3.22Å; A130-D166 VanDerWaalsContact N-O 3.15Å; D166-M168 PolarHBondContact O-N 3.11Å; D166-M171 WeakPolarHBondContact O-CE 3.39Å; D166-L202 HydrophobicContact CB-CD1 4.14Å; D166-L202 WeakPolarHBondContact OD1-CB 3.44Å
167	E	92.5	Very high	92.9	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.192	13%	0.126	C	C	.	.	S	Bend	trans	53.4	39.1	179.4	-64.9	-66.8	140.5	0	0	112.1	A130 T131 H169 N170 L202	A130-E167 HydrophobicContact CB-CB 4.21Å; A130-E167 VanDerWaalsContact CB-O 3.23Å; A130-E167 WeakPolarHBondContact CB-O 3.37Å; T131-E167 HydrophobicContact CG2-CB 4.41Å; E167-H169 PolarHBondContact O-N 3.36Å; E167-H169 IonicContact OE2-CE1 2.57Å; E167-H169 PolarHBondContact OE2-CE1 3.08Å; E167-H169 IonicContact OE2-NE2 2.81Å; E167-H169 PolarHBondContact OE2-NE2 3.47Å; E167-N170 WeakPolarHBondContact O-CB 3.48Å; E167-N170 PolarHBondContact O-N 3.04Å; E167-N170 PolarHBondContact OE2-ND2 2.85Å; E167-L202 PolarHBondContact N-O 2.87Å
168	M	91	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.6	-171.5	178	179.8	44.4	0	0	114.7	D166 N170 M171 L176 F201 L202 L247	D166-M168 PolarHBondContact O-N 3.11Å; M168-N170 PolarHBondContact O-N 3.32Å; M168-M171 HydrophobicContact CG-SD 4.31Å; M168-M171 VanDerWaalsContact O-CB 3.31Å; M168-M171 WeakPolarHBondContact O-CB 3.38Å; M168-M171 PolarHBondContact O-N 2.87Å; M168-M171 VanDerWaalsContact O-N 3.07Å; M168-L176 HydrophobicContact CG-CD1 3.78Å; M168-L176 HydrophobicContact SD-CD1 3.65Å; M168-F201 HydrophobicContact CE-CB 3.6Å; M168-F201 HydrophobicContact SD-CB 3.64Å; M168-F201 HydrophobicContact SD-CD1 3.9Å; M168-F201 HydrophobicContact SD-CG 4.04Å; M168-L202 WeakPolarHBondContact CB-O 3.37Å; M168-L202 PolarHBondContact N-O 3.01Å; M168-L247 HydrophobicContact CE-CD1 3.06Å; M168-L247 HydrophobicContact CE-CD2 4.42Å; M168-L247 HydrophobicContact CE-CG 3.82Å; M168-L247 HydrophobicContact CG-CD1 4.23Å; M168-L247 HydrophobicContact CG-CG 4.05Å; M168-L247 HydrophobicContact SD-CD1 3.38Å; M168-L247 WeakPolarHBondContact SD-CD1 3.4Å; M168-L247 HydrophobicContact SD-CD2 3.71Å; M168-L247 HydrophobicContact SD-CG 3.37Å; M168-L247 WeakPolarHBondContact SD-CG 3.37Å
169	H	85.9	Confident	92.5	Very high	47 Å²	47	22 Å²	22	22%	0.218	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21.1	174.8	54.7	-72.7	0	0	0	113	E167 N204 A205 G245	E167-H169 PolarHBondContact O-N 3.36Å; E167-H169 IonicContact OE2-CE1 2.57Å; E167-H169 PolarHBondContact OE2-CE1 3.08Å; E167-H169 IonicContact OE2-NE2 2.81Å; E167-H169 PolarHBondContact OE2-NE2 3.47Å; H169-N204 PolarHBondContact CE1-ND2 3.24Å; H169-N204 PolarHBondContact ND1-N 3.46Å; H169-N204 PolarHBondContact NE2-ND2 3.07Å; H169-A205 HydrophobicContact CB-CB 4.43Å; H169-G245 WeakPolarHBondContact O-CA 3.05Å
170	N	89.6	Confident	92.3	Very high	82 Å²	82	19.7 Å²	19.7	44%	0.439	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-93.2	-0.5	175.3	-58.4	-43.4	0	0	0	112.7	A130 T131 E167 M168	A130-N170 HydrophobicContact CB-CB 4.16Å; T131-N170 HydrophobicContact CG2-CB 4.31Å; E167-N170 WeakPolarHBondContact O-CB 3.48Å; E167-N170 PolarHBondContact O-N 3.04Å; E167-N170 PolarHBondContact OE2-ND2 2.85Å; M168-N170 PolarHBondContact O-N 3.32Å
171	M	91.1	Very high	92	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.025	11%	0.106	C	C	.	.	S	Bend	trans	-70.8	140.9	177.5	-73.7	-172.1	-174.7	0	0	111.3	A130 F134 F165 D166 M168 I175 L176 G246	A130-M171 HydrophobicContact CB-CB 4.34Å; A130-M171 HydrophobicContact CB-CE 3.92Å; A130-M171 HydrophobicContact CB-CG 3.35Å; F134-M171 HydrophobicContact CD2-CE 3.93Å; F134-M171 HydrophobicContact CD2-CG 4.11Å; F134-M171 HydrophobicContact CD2-SD 4.08Å; F134-M171 HydrophobicContact CE2-CE 3.9Å; F134-M171 HydrophobicContact CE2-SD 4.23Å; F165-M171 HydrophobicContact CB-CE 3.81Å; F165-M171 HydrophobicContact CD1-CE 3.97Å; F165-M171 HydrophobicContact CD1-SD 4.46Å; F165-M171 HydrophobicContact CG-CE 4.39Å; D166-M171 WeakPolarHBondContact O-CE 3.39Å; M168-M171 HydrophobicContact CG-SD 4.31Å; M168-M171 VanDerWaalsContact O-CB 3.31Å; M168-M171 WeakPolarHBondContact O-CB 3.38Å; M168-M171 PolarHBondContact O-N 2.87Å; M168-M171 VanDerWaalsContact O-N 3.07Å; M171-I175 HydrophobicContact CB-CG2 3.81Å; M171-I175 HydrophobicContact CG-CG2 4.4Å; M171-I175 HydrophobicContact SD-CG2 4.22Å; M171-L176 HydrophobicContact SD-CD2 3.93Å; M171-L176 HydrophobicContact SD-CG 4.35Å; M171-G246 VanDerWaalsContact O-CA 3.29Å; M171-G246 WeakPolarHBondContact O-CA 3.07Å; M171-G246 PolarHBondContact O-N 2.94Å; M171-G246 VanDerWaalsContact O-N 3.08Å
172	P	88.8	Confident	91.7	Very high	16 Å²	16	20.6 Å²	20.6	10%	0.104	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-56.5	138.4	173	-25.9	35.6	0	0	0	112	F134 A137 I140 G174 I175	F134-P172 HydrophobicContact CB-CG 4.24Å; F134-P172 WeakPolarHBondContact O-CD 3.45Å; F134-P172 WeakPolarHBondContact O-CG 3.34Å; A137-P172 HydrophobicContact CB-CB 4.22Å; A137-P172 HydrophobicContact CB-CG 4.39Å; I140-P172 HydrophobicContact CD1-CB 4.03Å; P172-G174 PolarHBondContact O-N 3.07Å; P172-I175 WeakPolarHBondContact O-CG2 3.23Å; P172-I175 PolarHBondContact O-N 3.41Å
173	H	86.2	Confident	91.4	Very high	111 Å²	111	20.7 Å²	20.7	51%	0.514	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	131.5	-179.9	178.8	-117.3	0	0	0	111.9	I140 Q248	I140-H173 WeakPolarHBondContact CD1-O 3.25Å; H173-Q248 PolarHBondContact CD2-O 3.32Å; H173-Q248 PolarHBondContact NE2-O 2.72Å
174	G	86.3	Confident	90.8	Very high	3 Å²	3	24 Å²	24	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-5.3	176.8	0	0	0	0	0	115.9	K144 P172 L176 D177	K144-G174 WeakPolarHBondContact CE-O 3.4Å; K144-G174 PolarHBondContact NZ-O 3.2Å; P172-G174 PolarHBondContact O-N 3.07Å; G174-L176 PolarHBondContact O-N 3.2Å; G174-D177 WeakPolarHBondContact CA-OD2 3.41Å; G174-D177 WeakPolarHBondContact O-CB 3.49Å; G174-D177 PolarHBondContact O-N 3.26Å
175	I	90.4	Very high	89.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-58.7	-38.5	176.6	-173.7	58.5	0	0	0	111.5	F134 I140 K144 L147 M171 P172 D177 I178	F134-I175 HydrophobicContact CD1-CG1 4.39Å; F134-I175 HydrophobicContact CE1-CG1 4.47Å; I140-I175 HydrophobicContact CD1-CB 4.38Å; I140-I175 HydrophobicContact CG1-CD1 4.47Å; K144-I175 HydrophobicContact CB-CD1 4.4Å; K144-I175 HydrophobicContact CG-CD1 3.65Å; L147-I175 HydrophobicContact CD2-CG1 4.43Å; M171-I175 HydrophobicContact CB-CG2 3.81Å; M171-I175 HydrophobicContact CG-CG2 4.4Å; M171-I175 HydrophobicContact SD-CG2 4.22Å; P172-I175 WeakPolarHBondContact O-CG2 3.23Å; P172-I175 PolarHBondContact O-N 3.41Å; I175-D177 VanDerWaalsContact C-N 3.3Å; I175-D177 PolarHBondContact O-N 3.13Å; I175-I178 WeakPolarHBondContact O-CG2 3.45Å
176	L	90.4	Very high	88.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-75.3	-14.8	-177.7	-63.7	176.5	0	0	0	113.8	F165 M168 M171 G174 I178 L179 F201 L247 L252	F165-L176 HydrophobicContact CD1-CD2 4.37Å; M168-L176 HydrophobicContact CG-CD1 3.78Å; M168-L176 HydrophobicContact SD-CD1 3.65Å; M171-L176 HydrophobicContact SD-CD2 3.93Å; M171-L176 HydrophobicContact SD-CG 4.35Å; G174-L176 PolarHBondContact O-N 3.2Å; L176-I178 PolarHBondContact O-N 2.86Å; L176-I178 VanDerWaalsContact O-N 3.16Å; L176-L179 HydrophobicContact CD2-CD1 3.79Å; L176-L179 VanDerWaalsContact O-CB 3.26Å; L176-L179 WeakPolarHBondContact O-CB 3.38Å; L176-L179 WeakPolarHBondContact O-CG 3.31Å; L176-L179 PolarHBondContact O-N 3.49Å; L176-F201 HydrophobicContact CD2-CE1 4.16Å; L176-L247 HydrophobicContact CD1-CD2 4.01Å; L176-L247 HydrophobicContact CD1-CG 4.24Å; L176-L252 HydrophobicContact CB-CD1 3.85Å; L176-L252 HydrophobicContact CB-CG 4.32Å; L176-L252 HydrophobicContact CD1-CD1 4.36Å
177	D	89.3	Confident	87.4	Confident	38 Å²	38	41.1 Å²	41.1	20%	0.203	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.1	-22.1	179	-58.6	-26.1	0	0	0	111.8	G174 I175 L179 S180 S250 E251	G174-D177 WeakPolarHBondContact CA-OD2 3.41Å; G174-D177 WeakPolarHBondContact O-CB 3.49Å; G174-D177 PolarHBondContact O-N 3.26Å; I175-D177 VanDerWaalsContact C-N 3.3Å; I175-D177 PolarHBondContact O-N 3.13Å; D177-L179 PolarHBondContact O-N 3.21Å; D177-S180 VanDerWaalsContact O-CB 3.31Å; D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 2.76Å; D177-S180 VanDerWaalsContact O-N 3.16Å; D177-S180 PolarHBondContact O-OG 3.29Å; D177-S250 WeakPolarHBondContact OD1-CA 3.12Å; D177-E251 HydrophobicContact CB-CB 4.39Å; D177-E251 HydrophobicContact CB-CG 4.2Å; D177-E251 PolarHBondContact OD1-N 2.93Å
178	I	91.2	Very high	87	Confident	41 Å²	41	42.9 Å²	42.9	21%	0.21	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-65	-21.8	174	-158.1	58.7	0	0	0	112.4	L147 Y148 I175 L176 P181	L147-I178 HydrophobicContact CD2-CG2 3.94Å; L147-I178 HydrophobicContact CG-CG2 4.4Å; Y148-I178 HydrophobicContact CD2-CD1 4Å; Y148-I178 HydrophobicContact CD2-CG1 3.82Å; Y148-I178 HydrophobicContact CG-CD1 4.43Å; Y148-I178 HydrophobicContact CG-CG1 4.27Å; I175-I178 WeakPolarHBondContact O-CG2 3.45Å; L176-I178 PolarHBondContact O-N 2.86Å; L176-I178 VanDerWaalsContact O-N 3.16Å; I178-P181 WeakPolarHBondContact O-CD 3.23Å
179	L	92.5	Very high	86.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-81.4	-18.9	178.2	-52.5	-177.5	0	0	0	112	L147 L151 F165 L176 D177 L182 L183 F199 F201 L252	L147-L179 HydrophobicContact CD2-CD2 4.37Å; L151-L179 HydrophobicContact CD1-CD2 3.21Å; F165-L179 HydrophobicContact CE1-CD1 4.5Å; F165-L179 HydrophobicContact CE2-CD1 4.15Å; F165-L179 HydrophobicContact CZ-CD1 4.02Å; F165-L179 HydrophobicContact CZ-CD2 4.32Å; L176-L179 HydrophobicContact CD2-CD1 3.79Å; L176-L179 VanDerWaalsContact O-CB 3.26Å; L176-L179 WeakPolarHBondContact O-CB 3.38Å; L176-L179 WeakPolarHBondContact O-CG 3.31Å; L176-L179 PolarHBondContact O-N 3.49Å; D177-L179 PolarHBondContact O-N 3.21Å; L179-L182 HydrophobicContact CD2-CD1 4.29Å; L179-L182 WeakPolarHBondContact O-CA 3.31Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 2.84Å; L179-L183 HydrophobicContact CB-CD1 4.12Å; L179-L183 HydrophobicContact CB-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CG 3.43Å; L179-L183 PolarHBondContact O-N 3.04Å; L179-F199 HydrophobicContact CD2-CE1 4.39Å; L179-F201 HydrophobicContact CD1-CE1 3.69Å; L179-F201 HydrophobicContact CD1-CZ 3.86Å; L179-L252 HydrophobicContact CB-CD2 4.12Å; L179-L252 HydrophobicContact CD1-CD1 4.3Å
180	S	90.7	Very high	86.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-51.6	-52.8	-177.7	-61.5	0	0	0	0	114.4	D177 L182 L183 E184 E251	D177-S180 VanDerWaalsContact O-CB 3.31Å; D177-S180 WeakPolarHBondContact O-CB 3.46Å; D177-S180 PolarHBondContact O-N 2.76Å; D177-S180 VanDerWaalsContact O-N 3.16Å; D177-S180 PolarHBondContact O-OG 3.29Å; S180-L182 PolarHBondContact O-N 3.44Å; S180-L183 PolarHBondContact O-N 3.31Å; S180-E184 WeakPolarHBondContact O-CB 3.42Å; S180-E184 PolarHBondContact O-N 2.99Å; S180-E184 VanDerWaalsContact O-N 3.12Å; S180-E251 WeakPolarHBondContact CB-OE2 3.46Å; S180-E251 WeakPolarHBondContact OG-CB 3.32Å; S180-E251 PolarHBondContact OG-OE2 3.41Å
181	P	89.4	Confident	86.7	Confident	38 Å²	38	47.5 Å²	47.5	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-24.6	178.8	26.1	-35.7	0	0	0	113	I178 V189	I178-P181 WeakPolarHBondContact O-CD 3.23Å; P181-V189 WeakPolarHBondContact O-CG2 3.15Å
182	L	91.9	Very high	86.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-80.6	-34.1	-178.7	-47.7	-177.5	0	0	0	112	P91 Y148 L151 L179 S180 V189 F194	P91-L182 VanDerWaalsContact CG-O 3.27Å; P91-L182 WeakPolarHBondContact CG-O 3.38Å; Y148-L182 HydrophobicContact CE2-CD2 4.02Å; L151-L182 HydrophobicContact CB-CD1 4.25Å; L151-L182 HydrophobicContact CD1-CD1 3.62Å; L179-L182 HydrophobicContact CD2-CD1 4.29Å; L179-L182 WeakPolarHBondContact O-CA 3.31Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 2.84Å; S180-L182 PolarHBondContact O-N 3.44Å; L182-V189 HydrophobicContact CD2-CB 4.23Å; L182-V189 HydrophobicContact CD2-CG1 3.96Å; L182-V189 HydrophobicContact CD2-CG2 4.37Å; L182-F194 HydrophobicContact CB-CD1 4.23Å; L182-F194 HydrophobicContact CB-CE1 4.41Å; L182-F194 HydrophobicContact CB-CG 4.38Å; L182-F194 HydrophobicContact CD1-CE1 4.01Å; L182-F194 HydrophobicContact CD1-CZ 4.18Å; L182-F194 HydrophobicContact CD2-CD2 4.3Å; L182-F194 HydrophobicContact CD2-CE1 4.32Å; L182-F194 HydrophobicContact CD2-CE2 3.81Å; L182-F194 HydrophobicContact CD2-CZ 3.83Å; L182-F194 HydrophobicContact CG-CE1 4.48Å; L182-F194 HydrophobicContact CG-CZ 4.46Å
183	L	92.5	Very high	87	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-90.1	-13.8	-178.2	-64.8	179.4	0	0	0	113.7	P91 A93 L179 S180 F199 F201 L252 L257	P91-L183 HydrophobicContact CB-CD2 3.85Å; P91-L183 HydrophobicContact CG-CD2 3.99Å; A93-L183 HydrophobicContact CB-CD1 4.36Å; A93-L183 HydrophobicContact CB-CD2 4.27Å; L179-L183 HydrophobicContact CB-CD1 4.12Å; L179-L183 HydrophobicContact CB-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CG 3.43Å; L179-L183 PolarHBondContact O-N 3.04Å; S180-L183 PolarHBondContact O-N 3.31Å; L183-F199 HydrophobicContact CD2-CB 4.35Å; L183-F199 HydrophobicContact CD2-CD1 4.29Å; L183-F199 HydrophobicContact CD2-CD2 3.44Å; L183-F199 VanDerWaalsContact CD2-CD2 3.44Å; L183-F199 HydrophobicContact CD2-CE2 3.67Å; L183-F199 HydrophobicContact CD2-CG 3.78Å; L183-F199 HydrophobicContact CD2-CZ 4.22Å; L183-F201 HydrophobicContact CD1-CZ 4.26Å; L183-L252 HydrophobicContact CD1-CD1 4.33Å; L183-L252 HydrophobicContact CD1-CD2 3.72Å; L183-L257 HydrophobicContact CB-CB 4.07Å; L183-L257 HydrophobicContact CB-CD1 4.25Å
184	E	86.3	Confident	87.5	Confident	70 Å²	70	44.3 Å²	44.3	33%	0.327	24%	0.241	S	C	.	.	S	Bend	trans	-73.3	151.3	175.6	-162.5	168.3	-135.1	0	0	111.6	S180 R186 L257	S180-E184 WeakPolarHBondContact O-CB 3.42Å; S180-E184 PolarHBondContact O-N 2.99Å; S180-E184 VanDerWaalsContact O-N 3.12Å; E184-R186 PolarHBondContact O-N 2.81Å; E184-R186 IonicContact OE2-CZ 3.35Å; E184-R186 IonicContact OE2-NE 3.91Å; E184-R186 IonicContact OE2-NH2 2.71Å; E184-R186 PolarHBondContact OE2-NH2 2.72Å; E184-L257 HydrophobicContact CB-CD2 4.12Å; E184-L257 HydrophobicContact CG-CD2 4.39Å
185	V	68.6	Low	87.9	Confident	95 Å²	95	47.1 Å²	47.1	58%	0.576	25%	0.25	S	S	*	.	S	Bend	trans	-66.2	97	-176.9	-179	0	0	0	0	109.9	K90	K90-V185 HydrophobicContact CB-CG2 4.13Å; K90-V185 HydrophobicContact CD-CG2 4.3Å
186	R	71.3	Confident	88.1	Confident	122 Å²	122	51.8 Å²	51.8	46%	0.46	27%	0.271	S	S	.	.			trans	-143.6	145.8	176.5	-62.3	-176.5	-175.7	171.7	2.1	109.9	E184	E184-R186 PolarHBondContact O-N 2.81Å; E184-R186 IonicContact OE2-CZ 3.35Å; E184-R186 IonicContact OE2-NE 3.91Å; E184-R186 IonicContact OE2-NH2 2.71Å; E184-R186 PolarHBondContact OE2-NH2 2.72Å
187	E	78.3	Confident	88.4	Confident	149 Å²	149	51.8 Å²	51.8	70%	0.696	27%	0.27	S	S	*	.	S	Bend	trans	-66.7	-42.9	177.8	-66.4	-173.7	158.9	0	0	111.7
188	T	84.6	Confident	88.8	Confident	78 Å²	78	50 Å²	50	48%	0.479	26%	0.261	S	S	.	.			trans	-148.5	150	175.3	63.3	0	0	0	0	111.3	V192 D193	T188-V192 CarbonylContact C-O 3.58Å; T188-V192 VanDerWaalsContact CA-O 3.24Å; T188-V192 WeakPolarHBondContact CA-O 3.27Å; T188-D193 HydrophobicContact CG2-CB 4.33Å
189	V	85.3	Confident	89.1	Confident	17 Å²	17	48 Å²	48	10%	0.103	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-115.8	116.8	166.6	-176	0	0	0	0	107.2	H152 P181 L182 G191 V192 F194	H152-V189 PolarHBondContact CE1-O 2.88Å; P181-V189 WeakPolarHBondContact O-CG2 3.15Å; L182-V189 HydrophobicContact CD2-CB 4.23Å; L182-V189 HydrophobicContact CD2-CG1 3.96Å; L182-V189 HydrophobicContact CD2-CG2 4.37Å; V189-G191 PolarHBondContact O-N 3.3Å; V189-V192 PolarHBondContact N-O 3.26Å; V189-V192 WeakPolarHBondContact O-CB 3.45Å; V189-V192 PolarHBondContact O-N 2.78Å; V189-F194 HydrophobicContact CB-CD2 4.37Å; V189-F194 HydrophobicContact CB-CE2 4.28Å
190	E	86.4	Confident	89.4	Confident	146 Å²	146	48 Å²	48	68%	0.682	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.3	-175.3	-57.6	-179.8	-177.7	0	0	113.5	Y148 H152 V192	Y148-E190 PolarHBondContact OH-OE1 3.49Å; H152-E190 IonicContact CE1-OE2 2.95Å; H152-E190 IonicContact ND1-OE2 3.34Å; E190-V192 VanDerWaalsContact C-N 3.27Å; E190-V192 PolarHBondContact O-N 2.72Å
191	G	89.1	Confident	89.6	Confident	64 Å²	64	48 Å²	48	66%	0.66	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	0.7	-179.9	0	0	0	0	0	115.1	V189	V189-G191 PolarHBondContact O-N 3.3Å
192	V	92.8	Very high	89.9	Confident	15 Å²	15	46.2 Å²	46.2	9%	0.091	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-103.2	129.3	178.7	-175.6	0	0	0	0	110.4	V155 S156 T188 V189 E190 F194	V155-V192 HydrophobicContact CB-CG1 3.67Å; V155-V192 HydrophobicContact CG1-CG1 3.4Å; S156-V192 VanDerWaalsContact OG-CG2 3.28Å; S156-V192 WeakPolarHBondContact OG-CG2 3.44Å; T188-V192 CarbonylContact C-O 3.58Å; T188-V192 VanDerWaalsContact CA-O 3.24Å; T188-V192 WeakPolarHBondContact CA-O 3.27Å; V189-V192 PolarHBondContact N-O 3.26Å; V189-V192 WeakPolarHBondContact O-CB 3.45Å; V189-V192 PolarHBondContact O-N 2.78Å; E190-V192 VanDerWaalsContact C-N 3.27Å; E190-V192 PolarHBondContact O-N 2.72Å; V192-F194 HydrophobicContact CB-CD2 4.32Å; V192-F194 HydrophobicContact CB-CE2 3.79Å; V192-F194 HydrophobicContact CG1-CD2 4.02Å; V192-F194 HydrophobicContact CG1-CE2 3.59Å; V192-F194 HydrophobicContact CG1-CZ 4.04Å
193	D	93.8	Very high	90	Very high	44 Å²	44	46.1 Å²	46.1	24%	0.235	24%	0.239	C	C	.	.			trans	-95.3	103.9	178.5	-174.7	-8.5	0	0	0	110.7	V155 T188 R195	V155-D193 VanDerWaalsContact CG1-O 3.32Å; V155-D193 WeakPolarHBondContact CG1-O 3.39Å; T188-D193 HydrophobicContact CG2-CB 4.33Å; D193-R195 VanDerWaalsContact C-N 3.33Å; D193-R195 WeakPolarHBondContact OD1-CB 3.37Å; D193-R195 WeakPolarHBondContact OD1-CG 3.24Å; D193-R195 IonicContact OD1-CZ 3.87Å; D193-R195 PolarHBondContact OD1-N 2.9Å; D193-R195 IonicContact OD1-NE 2.89Å; D193-R195 PolarHBondContact OD1-NE 3.33Å; D193-R195 IonicContact OD1-NH2 2.66Å; D193-R195 IonicContact OD2-CZ 2.75Å; D193-R195 IonicContact OD2-NE 3.24Å; D193-R195 PolarHBondContact OD2-NE 3.11Å; D193-R195 VanDerWaalsContact OD2-NE 3.14Å; D193-R195 IonicContact OD2-NH2 3.49Å; D193-R195 PolarHBondContact OD2-NH2 3.23Å
194	F	95.2	Very high	90	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.026	25%	0.249	C	C	.	.			trans	-82.5	-6.1	179.4	-74.2	-97.9	0	0	0	113.5	P91 L151 H152 V155 L182 V189 V192 K196 S197 F199	P91-F194 WeakPolarHBondContact CB-O 3.07Å; P91-F194 HydrophobicContact CG-CB 3.88Å; P91-F194 VanDerWaalsContact CG-O 3.27Å; P91-F194 WeakPolarHBondContact CG-O 3.39Å; L151-F194 HydrophobicContact CB-CE1 4.28Å; H152-F194 AromaticContact CD2-CZ 3.83Å; H152-F194 AromaticContact CE1-CE2 3.98Å; H152-F194 AromaticContact NE2-CE2 3.92Å; H152-F194 AromaticContact NE2-CZ 3.85Å; V155-F194 HydrophobicContact CB-CD1 4.15Å; V155-F194 HydrophobicContact CB-CE1 3.9Å; V155-F194 HydrophobicContact CB-CZ 4.23Å; V155-F194 HydrophobicContact CG1-CD1 4.08Å; V155-F194 HydrophobicContact CG1-CD2 4.49Å; V155-F194 HydrophobicContact CG1-CE1 4.27Å; V155-F194 HydrophobicContact CG1-CG 4.17Å; V155-F194 HydrophobicContact CG2-CD1 3.6Å; V155-F194 HydrophobicContact CG2-CE1 3.45Å; V155-F194 VanDerWaalsContact CG2-CE1 3.45Å; V155-F194 HydrophobicContact CG2-CG 4.48Å; V155-F194 HydrophobicContact CG2-CZ 4.25Å; L182-F194 HydrophobicContact CB-CD1 4.23Å; L182-F194 HydrophobicContact CB-CE1 4.41Å; L182-F194 HydrophobicContact CB-CG 4.38Å; L182-F194 HydrophobicContact CD1-CE1 4.01Å; L182-F194 HydrophobicContact CD1-CZ 4.18Å; L182-F194 HydrophobicContact CD2-CD2 4.3Å; L182-F194 HydrophobicContact CD2-CE1 4.32Å; L182-F194 HydrophobicContact CD2-CE2 3.81Å; L182-F194 HydrophobicContact CD2-CZ 3.83Å; L182-F194 HydrophobicContact CG-CE1 4.48Å; L182-F194 HydrophobicContact CG-CZ 4.46Å; V189-F194 HydrophobicContact CB-CD2 4.37Å; V189-F194 HydrophobicContact CB-CE2 4.28Å; V192-F194 HydrophobicContact CB-CD2 4.32Å; V192-F194 HydrophobicContact CB-CE2 3.79Å; V192-F194 HydrophobicContact CG1-CD2 4.02Å; V192-F194 HydrophobicContact CG1-CE2 3.59Å; V192-F194 HydrophobicContact CG1-CZ 4.04Å; F194-K196 PolarHBondContact O-N 3.33Å; F194-S197 WeakPolarHBondContact O-CB 3.17Å; F194-S197 PolarHBondContact O-N 3.08Å; F194-S197 PolarHBondContact O-OG 3.06Å; F194-F199 HydrophobicContact CD1-CZ 4.27Å
195	R	94.8	Very high	90.1	Very high	62 Å²	62	45.4 Å²	45.4	23%	0.234	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24	-166.6	-66.8	177.1	-63.6	170.9	-2.5	114.2	H82 P88 K90 D193	H82-R195 PolarHBondContact CE1-O 3.29Å; P88-R195 WeakPolarHBondContact CB-O 3.4Å; P88-R195 HydrophobicContact CG-CB 4.44Å; P88-R195 WeakPolarHBondContact CG-O 3.34Å; P88-R195 WeakPolarHBondContact O-CB 3.14Å; P88-R195 WeakPolarHBondContact O-CD 3.31Å; K90-R195 CarbonylContact C-O 3.56Å; D193-R195 VanDerWaalsContact C-N 3.33Å; D193-R195 WeakPolarHBondContact OD1-CB 3.37Å; D193-R195 WeakPolarHBondContact OD1-CG 3.24Å; D193-R195 IonicContact OD1-CZ 3.87Å; D193-R195 PolarHBondContact OD1-N 2.9Å; D193-R195 IonicContact OD1-NE 2.89Å; D193-R195 PolarHBondContact OD1-NE 3.33Å; D193-R195 IonicContact OD1-NH2 2.66Å; D193-R195 IonicContact OD2-CZ 2.75Å; D193-R195 IonicContact OD2-NE 3.24Å; D193-R195 PolarHBondContact OD2-NE 3.11Å; D193-R195 VanDerWaalsContact OD2-NE 3.14Å; D193-R195 IonicContact OD2-NH2 3.49Å; D193-R195 PolarHBondContact OD2-NH2 3.23Å
196	K	95.1	Very high	91	Very high	98 Å²	98	41.1 Å²	41.1	43%	0.426	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.1	176.5	-67.1	-177.6	179.6	-179.7	0	114	P88 P159 F194	P88-K196 HydrophobicContact CG-CG 4.03Å; P159-K196 HydrophobicContact CB-CB 4.26Å; P159-K196 HydrophobicContact CB-CD 4.44Å; P159-K196 CarbonylContact O-C 3.56Å; P159-K196 WeakPolarHBondContact O-CB 3.27Å; F194-K196 PolarHBondContact O-N 3.33Å
197	S	96.7	Very high	92	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-75.5	149.6	-178.4	-59.7	0	0	0	0	110.7	P91 L92 V155 P159 S161 F194	P91-S197 WeakPolarHBondContact CA-O 3.42Å; P91-S197 WeakPolarHBondContact CB-O 3.31Å; L92-S197 PolarHBondContact N-O 3.27Å; V155-S197 VanDerWaalsContact CG2-OG 3.29Å; V155-S197 WeakPolarHBondContact CG2-OG 3.35Å; P159-S197 WeakPolarHBondContact O-CA 3.41Å; P159-S197 PolarHBondContact O-N 3.47Å; P159-S197 VanDerWaalsContact O-N 3.08Å; P159-S197 PolarHBondContact O-OG 2.85Å; P159-S197 VanDerWaalsContact O-OG 3.12Å; S161-S197 WeakPolarHBondContact O-CA 3.38Å; F194-S197 WeakPolarHBondContact O-CB 3.17Å; F194-S197 PolarHBondContact O-N 3.08Å; F194-S197 PolarHBondContact O-OG 3.06Å
198	I	98.1	Very high	92.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.6	-179.1	-58	169	0	0	0	108.6	L79 I83 L92 V115 S161 I162 F163 I200	L79-I198 HydrophobicContact CD1-CD1 3.81Å; I83-I198 HydrophobicContact CD1-CD1 4.16Å; L92-I198 HydrophobicContact CB-CG1 4.29Å; L92-I198 HydrophobicContact CB-CG2 4.42Å; L92-I198 HydrophobicContact CD2-CG1 4.45Å; L92-I198 HydrophobicContact CD2-CG2 4.13Å; L92-I198 HydrophobicContact CG-CG2 4.38Å; L92-I198 CarbonylContact O-C 3.56Å; V115-I198 HydrophobicContact CG1-CD1 4.37Å; S161-I198 PolarHBondContact O-N 3.26Å; I162-I198 CarbonylContact C-O 3.6Å; I162-I198 WeakPolarHBondContact CA-O 3.47Å; I162-I198 HydrophobicContact CD1-CD1 4.38Å; I162-I198 HydrophobicContact CG1-CB 4.22Å; I162-I198 HydrophobicContact CG1-CD1 4.26Å; I162-I198 HydrophobicContact CG2-CB 4.27Å; I162-I198 HydrophobicContact CG2-CG2 4.28Å; F163-I198 PolarHBondContact N-O 2.86Å; I198-I200 HydrophobicContact CG2-CD1 4.36Å; I198-I200 HydrophobicContact CG2-CG1 4.04Å
199	F	98	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	177.6	-67.1	-101.7	0	0	0	108.9	P91 L92 A93 L94 L151 F163 F165 L179 L183 F194 F201	P91-F199 HydrophobicContact CB-CD2 3.9Å; P91-F199 HydrophobicContact CB-CE2 3.85Å; P91-F199 HydrophobicContact CG-CE2 4.38Å; L92-F199 PolarHBondContact O-N 3.36Å; A93-F199 CarbonylContact C-O 3.58Å; A93-F199 WeakPolarHBondContact CA-O 3.46Å; A93-F199 HydrophobicContact CB-CB 4.5Å; L94-F199 PolarHBondContact N-O 3.49Å; L151-F199 HydrophobicContact CD2-CE1 4.09Å; F163-F199 HydrophobicContact CB-CD1 3.96Å; F163-F199 HydrophobicContact CB-CE1 4.15Å; F163-F199 HydrophobicContact CD2-CD1 4.12Å; F163-F199 HydrophobicContact CD2-CD2 4.46Å; F163-F199 AromaticContact CD2-CE1 3.7Å; F163-F199 HydrophobicContact CD2-CE1 3.7Å; F163-F199 HydrophobicContact CD2-CE2 4.1Å; F163-F199 HydrophobicContact CD2-CG 4.47Å; F163-F199 AromaticContact CD2-CZ 3.69Å; F163-F199 HydrophobicContact CD2-CZ 3.69Å; F163-F199 HydrophobicContact CE2-CE1 4.43Å; F163-F199 HydrophobicContact CE2-CZ 4.07Å; F163-F199 HydrophobicContact CG-CD1 4.35Å; F163-F199 HydrophobicContact CG-CE1 4.07Å; F163-F199 HydrophobicContact CG-CZ 4.49Å; F163-F199 CarbonylContact O-C 3.58Å; F163-F199 WeakPolarHBondContact O-CA 3.33Å; F165-F199 AromaticContact CE2-CD1 3.89Å; F165-F199 HydrophobicContact CE2-CD1 3.89Å; F165-F199 HydrophobicContact CE2-CE1 4.4Å; L179-F199 HydrophobicContact CD2-CE1 4.39Å; L183-F199 HydrophobicContact CD2-CB 4.35Å; L183-F199 HydrophobicContact CD2-CD1 4.29Å; L183-F199 HydrophobicContact CD2-CD2 3.44Å; L183-F199 VanDerWaalsContact CD2-CD2 3.44Å; L183-F199 HydrophobicContact CD2-CE2 3.67Å; L183-F199 HydrophobicContact CD2-CG 3.78Å; L183-F199 HydrophobicContact CD2-CZ 4.22Å; F194-F199 HydrophobicContact CD1-CZ 4.27Å; F199-F201 HydrophobicContact CB-CE2 3.86Å; F199-F201 HydrophobicContact CB-CZ 3.92Å; F199-F201 HydrophobicContact CD1-CZ 4.37Å
200	I	98.2	Very high	93.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.1	179.1	-53.3	172.2	0	0	0	107.9	L94 F96 I111 I162 F163 V164 F165 I198 L202	L94-I200 CarbonylContact O-C 3.22Å; L94-I200 WeakPolarHBondContact O-CA 3.36Å; F96-I200 HydrophobicContact CD2-CG2 4Å; F96-I200 HydrophobicContact CE1-CG2 4.36Å; F96-I200 HydrophobicContact CE2-CG2 3.7Å; F96-I200 HydrophobicContact CG-CG2 4.43Å; F96-I200 HydrophobicContact CZ-CG2 3.89Å; I111-I200 HydrophobicContact CB-CD1 4.27Å; I111-I200 HydrophobicContact CD1-CD1 3.8Å; I111-I200 HydrophobicContact CG2-CD1 4.02Å; I162-I200 HydrophobicContact CG2-CD1 4.1Å; F163-I200 PolarHBondContact O-N 3.24Å; V164-I200 CarbonylContact C-O 3.55Å; V164-I200 VanDerWaalsContact CA-O 3.31Å; V164-I200 WeakPolarHBondContact CA-O 3.22Å; V164-I200 HydrophobicContact CG2-CB 4.12Å; V164-I200 HydrophobicContact CG2-CD1 4.17Å; F165-I200 PolarHBondContact N-O 2.85Å; I198-I200 HydrophobicContact CG2-CD1 4.36Å; I198-I200 HydrophobicContact CG2-CG1 4.04Å; I200-L202 HydrophobicContact CG2-CD2 3.63Å; I200-L202 HydrophobicContact CG2-CG 4.48Å
201	F	95.6	Very high	93.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.3	179.8	-55.9	-80.1	0	0	0	109.6	A93 L94 S95 F96 F165 M168 L176 L179 L183 F199 L252 I258	A93-F201 HydrophobicContact CB-CE2 4.24Å; L94-F201 WeakPolarHBondContact O-CD2 3.22Å; L94-F201 PolarHBondContact O-N 3.02Å; S95-F201 CarbonylContact C-O 3.52Å; S95-F201 WeakPolarHBondContact CA-O 3.33Å; F96-F201 PolarHBondContact N-O 3.27Å; F165-F201 HydrophobicContact CB-CD1 3.73Å; F165-F201 HydrophobicContact CB-CE1 4.24Å; F165-F201 AromaticContact CD2-CD1 3.84Å; F165-F201 HydrophobicContact CD2-CD1 3.84Å; F165-F201 AromaticContact CD2-CE1 3.55Å; F165-F201 HydrophobicContact CD2-CE1 3.55Å; F165-F201 HydrophobicContact CD2-CZ 4.39Å; F165-F201 HydrophobicContact CE2-CE1 4.1Å; F165-F201 AromaticContact CG-CD1 3.98Å; F165-F201 HydrophobicContact CG-CD1 3.98Å; F165-F201 AromaticContact CG-CE1 3.97Å; F165-F201 HydrophobicContact CG-CE1 3.97Å; M168-F201 HydrophobicContact CE-CB 3.6Å; M168-F201 HydrophobicContact SD-CB 3.64Å; M168-F201 HydrophobicContact SD-CD1 3.9Å; M168-F201 HydrophobicContact SD-CG 4.04Å; L176-F201 HydrophobicContact CD2-CE1 4.16Å; L179-F201 HydrophobicContact CD1-CE1 3.69Å; L179-F201 HydrophobicContact CD1-CZ 3.86Å; L183-F201 HydrophobicContact CD1-CZ 4.26Å; F199-F201 HydrophobicContact CB-CE2 3.86Å; F199-F201 HydrophobicContact CB-CZ 3.92Å; F199-F201 HydrophobicContact CD1-CZ 4.37Å; F201-L252 HydrophobicContact CE1-CD1 4.27Å; F201-L252 HydrophobicContact CZ-CD1 4.03Å; F201-I258 HydrophobicContact CD2-CD1 3.79Å; F201-I258 HydrophobicContact CE2-CD1 3.69Å
202	L	96.2	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.7	-176.1	-44.6	176.8	0	0	0	109.5	F96 K104 N105 V164 F165 D166 E167 M168 I200	F96-L202 HydrophobicContact CB-CD2 3.85Å; F96-L202 HydrophobicContact CD2-CD2 3.31Å; F96-L202 HydrophobicContact CE2-CD2 4.1Å; F96-L202 HydrophobicContact CG-CD2 3.86Å; K104-L202 HydrophobicContact CB-CD2 4.32Å; N105-L202 WeakPolarHBondContact OD1-CD1 3.31Å; V164-L202 HydrophobicContact CG1-CD1 3.57Å; V164-L202 HydrophobicContact CG1-CG 4.06Å; F165-L202 PolarHBondContact O-N 3.07Å; D166-L202 HydrophobicContact CB-CD1 4.14Å; D166-L202 WeakPolarHBondContact OD1-CB 3.44Å; E167-L202 PolarHBondContact N-O 2.87Å; M168-L202 WeakPolarHBondContact CB-O 3.37Å; M168-L202 PolarHBondContact N-O 3.01Å; I200-L202 HydrophobicContact CG2-CD2 3.63Å; I200-L202 HydrophobicContact CG2-CG 4.48Å
203	S	93.3	Very high	93.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.1	-177.1	-170.3	0	0	0	0	114	F96 H97 G98 K104 A205	F96-S203 PolarHBondContact O-N 2.71Å; H97-S203 WeakPolarHBondContact CA-O 3.35Å; G98-S203 PolarHBondContact N-O 3.31Å; K104-S203 WeakPolarHBondContact CD-O 3.42Å; K104-S203 VanDerWaalsContact CE-O 3.23Å; K104-S203 WeakPolarHBondContact CE-O 3.21Å; K104-S203 PolarHBondContact NZ-O 2.8Å; S203-A205 VanDerWaalsContact OG-CB 3.31Å; S203-A205 WeakPolarHBondContact OG-CB 3.38Å; S203-A205 PolarHBondContact OG-N 3.36Å
204	N	92.2	Very high	94	Very high	42 Å²	42	27.7 Å²	27.7	23%	0.225	13%	0.126	C	C	.	.			trans	-88.7	-10.3	169	-60	-35.4	0	0	0	112.2	G98 K104 H169 G207	G98-N204 WeakPolarHBondContact O-CA 3.43Å; G98-N204 PolarHBondContact O-OD1 3.38Å; K104-N204 PolarHBondContact NZ-OD1 3.45Å; H169-N204 PolarHBondContact CE1-ND2 3.24Å; H169-N204 PolarHBondContact ND1-N 3.46Å; H169-N204 PolarHBondContact NE2-ND2 3.07Å; N204-G207 PolarHBondContact O-N 2.8Å; N204-G207 VanDerWaalsContact O-N 3.12Å
205	A	88.2	Confident	94.1	Very high	14 Å²	14	31.7 Å²	31.7	12%	0.116	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	138.6	177.1	0	0	0	0	0	111.4	H97 H169 S203 G207 A240	H97-A205 PolarHBondContact ND1-O 3.42Å; H169-A205 HydrophobicContact CB-CB 4.43Å; S203-A205 VanDerWaalsContact OG-CB 3.31Å; S203-A205 WeakPolarHBondContact OG-CB 3.38Å; S203-A205 PolarHBondContact OG-N 3.36Å; A205-G207 VanDerWaalsContact C-N 3.25Å; A205-G207 PolarHBondContact O-N 3.25Å; A205-A240 HydrophobicContact CB-CB 4.36Å; A205-A240 WeakPolarHBondContact CB-O 2.97Å
206	G	88.5	Confident	94.1	Very high	4 Å²	4	32.6 Å²	32.6	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7.1	-174.4	0	0	0	0	0	114.8	N208 Y209 I210	G206-N208 VanDerWaalsContact C-N 3.34Å; G206-N208 PolarHBondContact O-N 3.03Å; G206-Y209 WeakPolarHBondContact O-CB 3.23Å; G206-Y209 PolarHBondContact O-N 3.01Å; G206-Y209 VanDerWaalsContact O-N 3.07Å; G206-I210 WeakPolarHBondContact O-CG1 3.33Å; G206-I210 PolarHBondContact O-N 2.75Å
207	G	91.4	Very high	94.1	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-41.4	-178.4	0	0	0	0	0	114.4	Y99 N204 A205 Y209 I210 N211	Y99-G207 VanDerWaalsContact CE1-C 3.43Å; N204-G207 PolarHBondContact O-N 2.8Å; N204-G207 VanDerWaalsContact O-N 3.12Å; A205-G207 VanDerWaalsContact C-N 3.25Å; A205-G207 PolarHBondContact O-N 3.25Å; G207-Y209 VanDerWaalsContact C-N 3.31Å; G207-Y209 PolarHBondContact O-N 2.73Å; G207-I210 PolarHBondContact O-N 3.12Å; G207-N211 WeakPolarHBondContact O-CB 3.36Å; G207-N211 PolarHBondContact O-N 3.33Å; G207-N211 PolarHBondContact O-OD1 2.82Å
208	N	90.7	Very high	94.1	Very high	115 Å²	115	29.6 Å²	29.6	62%	0.615	14%	0.136	S	C	*	.	H	α-helix	trans	-59.7	-42.1	176.6	-68.5	-11.1	0	0	0	112	Y99 G206 R212	Y99-N208 VanDerWaalsContact CE1-OD1 3.27Å; Y99-N208 WeakPolarHBondContact CE1-OD1 3.33Å; Y99-N208 PolarHBondContact OH-OD1 2.83Å; G206-N208 VanDerWaalsContact C-N 3.34Å; G206-N208 PolarHBondContact O-N 3.03Å; N208-R212 WeakPolarHBondContact O-CB 3.47Å; N208-R212 PolarHBondContact O-N 3.05Å
209	Y	91.7	Very high	94	Very high	27 Å²	27	33.5 Å²	33.5	11%	0.106	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-45.6	178.8	173.2	-88.3	0	0	0	111.1	G206 G207 N211 R212 R213 V232 F235 L236 S239	G206-Y209 WeakPolarHBondContact O-CB 3.23Å; G206-Y209 PolarHBondContact O-N 3.01Å; G206-Y209 VanDerWaalsContact O-N 3.07Å; G207-Y209 VanDerWaalsContact C-N 3.31Å; G207-Y209 PolarHBondContact O-N 2.73Å; Y209-N211 VanDerWaalsContact C-N 3.35Å; Y209-N211 PolarHBondContact O-N 2.96Å; Y209-R212 PolarHBondContact O-N 3.11Å; Y209-R213 WeakPolarHBondContact O-CB 3.48Å; Y209-R213 PolarHBondContact O-N 3.48Å; Y209-V232 HydrophobicContact CE1-CG1 4.3Å; Y209-V232 WeakPolarHBondContact CE1-O 3.26Å; Y209-F235 HydrophobicContact CE1-CB 4.43Å; Y209-F235 HydrophobicContact CE2-CB 3.76Å; Y209-L236 HydrophobicContact CD1-CD1 4.43Å; Y209-S239 WeakPolarHBondContact CB-OG 3.42Å
210	I	94.6	Very high	93.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.1	-48.1	176.8	-63.1	167	0	0	0	110.1	H97 G206 G207 R213 T214 V232 L236 P263 L265	H97-I210 HydrophobicContact CB-CD1 4.12Å; H97-I210 VanDerWaalsContact O-CD1 3.23Å; H97-I210 WeakPolarHBondContact O-CD1 3.04Å; G206-I210 WeakPolarHBondContact O-CG1 3.33Å; G206-I210 PolarHBondContact O-N 2.75Å; G207-I210 PolarHBondContact O-N 3.12Å; I210-R213 PolarHBondContact O-N 2.83Å; I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 3.44Å; I210-T214 PolarHBondContact O-OG1 3.24Å; I210-V232 HydrophobicContact CG1-CG1 3.92Å; I210-L236 HydrophobicContact CD1-CD1 3.71Å; I210-L236 HydrophobicContact CD1-CD2 4.25Å; I210-L236 HydrophobicContact CG1-CD1 3.68Å; I210-L236 HydrophobicContact CG1-CD2 4.47Å; I210-P263 HydrophobicContact CD1-CB 3.82Å; I210-P263 HydrophobicContact CG1-CB 4.16Å; I210-P263 HydrophobicContact CG2-CB 4.47Å; I210-L265 HydrophobicContact CG2-CD2 3.7Å
211	N	94.3	Very high	93.8	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-46.9	180	-80.8	27.9	0	0	0	112.1	Y99 G207 Y209 R213 T214 Y215 P266	Y99-N211 WeakPolarHBondContact CD2-ND2 3.32Å; Y99-N211 WeakPolarHBondContact CE2-ND2 3.31Å; G207-N211 WeakPolarHBondContact O-CB 3.36Å; G207-N211 PolarHBondContact O-N 3.33Å; G207-N211 PolarHBondContact O-OD1 2.82Å; Y209-N211 VanDerWaalsContact C-N 3.35Å; Y209-N211 PolarHBondContact O-N 2.96Å; N211-R213 PolarHBondContact O-N 3.27Å; N211-T214 PolarHBondContact O-N 3.07Å; N211-Y215 WeakPolarHBondContact O-CB 3.33Å; N211-Y215 PolarHBondContact O-N 2.89Å; N211-P266 HydrophobicContact CB-CG 4.3Å; N211-P266 WeakPolarHBondContact OD1-CB 3.47Å; N211-P266 WeakPolarHBondContact OD1-CD 3.46Å; N211-P266 WeakPolarHBondContact OD1-CG 3.16Å
212	R	92.8	Very high	93.9	Very high	141 Å²	141	46 Å²	46	53%	0.532	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-48.2	177.4	-175.6	-177.5	68.2	-169.6	-0.5	111.2	N208 Y209 T214 Y215 E216	N208-R212 WeakPolarHBondContact O-CB 3.47Å; N208-R212 PolarHBondContact O-N 3.05Å; Y209-R212 PolarHBondContact O-N 3.11Å; R212-T214 VanDerWaalsContact C-N 3.29Å; R212-T214 PolarHBondContact O-N 3.27Å; R212-Y215 WeakPolarHBondContact O-CB 3.4Å; R212-Y215 PolarHBondContact O-N 3.03Å; R212-E216 WeakPolarHBondContact CD-OE1 3.17Å; R212-E216 HydrophobicContact CG-CG 4.4Å; R212-E216 WeakPolarHBondContact CG-OE1 3.35Å; R212-E216 IonicContact NE-OE1 2.69Å; R212-E216 WeakPolarHBondContact O-CG 3.16Å; R212-E216 PolarHBondContact O-N 2.83Å
213	R	93.2	Very high	93.9	Very high	52 Å²	52	52.9 Å²	52.9	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-37.7	-179.4	-172.9	65	-177.6	91.7	0.8	112.1	Y209 I210 N211 H217 D231	Y209-R213 WeakPolarHBondContact O-CB 3.48Å; Y209-R213 PolarHBondContact O-N 3.48Å; I210-R213 PolarHBondContact O-N 2.83Å; N211-R213 PolarHBondContact O-N 3.27Å; R213-H217 WeakPolarHBondContact O-CB 3.27Å; R213-H217 PolarHBondContact O-N 3.48Å; R213-H217 VanDerWaalsContact O-N 3.11Å; R213-D231 PolarHBondContact NE-O 2.92Å; R213-D231 VanDerWaalsContact NE-O 3.09Å; R213-D231 IonicContact NH2-OD1 3.51Å
214	T	95.8	Very high	94.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-42.6	175.3	-49.6	0	0	0	0	110.9	I210 N211 R212 H217 L218 L227 P266 F309	I210-T214 WeakPolarHBondContact O-CB 3.44Å; I210-T214 PolarHBondContact O-N 3.44Å; I210-T214 PolarHBondContact O-OG1 3.24Å; N211-T214 PolarHBondContact O-N 3.07Å; R212-T214 VanDerWaalsContact C-N 3.29Å; R212-T214 PolarHBondContact O-N 3.27Å; T214-H217 PolarHBondContact O-N 2.88Å; T214-L218 HydrophobicContact CG2-CD1 4.12Å; T214-L218 VanDerWaalsContact O-CG 3.31Å; T214-L218 WeakPolarHBondContact O-CG 3.43Å; T214-L218 PolarHBondContact O-N 3.01Å; T214-L218 VanDerWaalsContact O-N 3.09Å; T214-L227 HydrophobicContact CG2-CD2 4.46Å; T214-P266 HydrophobicContact CG2-CG 4.05Å; T214-F309 HydrophobicContact CG2-CE1 4.27Å; T214-F309 HydrophobicContact CG2-CZ 3.75Å
215	Y	95.8	Very high	94.3	Very high	90 Å²	90	56.6 Å²	56.6	35%	0.353	28%	0.284	S	S	.	.	H	α-helix	trans	-59.6	-54	176.3	-179.7	-99.7	0	0	0	111.4	N211 R212 H217 L218 V219 P303 F308 F309	N211-Y215 WeakPolarHBondContact O-CB 3.33Å; N211-Y215 PolarHBondContact O-N 2.89Å; R212-Y215 WeakPolarHBondContact O-CB 3.4Å; R212-Y215 PolarHBondContact O-N 3.03Å; Y215-H217 VanDerWaalsContact C-N 3.29Å; Y215-H217 PolarHBondContact O-N 3.12Å; Y215-L218 PolarHBondContact O-N 2.95Å; Y215-L218 VanDerWaalsContact O-N 3.12Å; Y215-V219 HydrophobicContact CD1-CG2 4.17Å; Y215-V219 HydrophobicContact CD2-CG2 4.16Å; Y215-V219 HydrophobicContact CE1-CG2 3.78Å; Y215-V219 HydrophobicContact CE2-CG2 3.77Å; Y215-V219 HydrophobicContact CG-CG2 4.35Å; Y215-V219 WeakPolarHBondContact O-CG2 3.21Å; Y215-V219 PolarHBondContact O-N 3.05Å; Y215-P303 HydrophobicContact CD2-CG 4.41Å; Y215-P303 HydrophobicContact CE2-CG 3.8Å; Y215-F308 HydrophobicContact CD2-CD1 4.06Å; Y215-F308 HydrophobicContact CD2-CE1 4.01Å; Y215-F308 HydrophobicContact CD2-CG 4.44Å; Y215-F308 HydrophobicContact CD2-CZ 4.34Å; Y215-F308 HydrophobicContact CE2-CD1 4.43Å; Y215-F308 HydrophobicContact CE2-CD2 4.36Å; Y215-F308 HydrophobicContact CE2-CE1 4.47Å; Y215-F308 HydrophobicContact CE2-CE2 4.4Å; Y215-F308 HydrophobicContact CE2-CG 4.38Å; Y215-F308 HydrophobicContact CE2-CZ 4.45Å; Y215-F309 HydrophobicContact CD2-CE2 4.33Å
216	E	94.8	Very high	94.7	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-55.3	-45	178.6	-70.9	165.7	176.6	0	0	111.3	R212 L218 V219 D220	R212-E216 WeakPolarHBondContact CD-OE1 3.17Å; R212-E216 HydrophobicContact CG-CG 4.4Å; R212-E216 WeakPolarHBondContact CG-OE1 3.35Å; R212-E216 IonicContact NE-OE1 2.69Å; R212-E216 WeakPolarHBondContact O-CG 3.16Å; R212-E216 PolarHBondContact O-N 2.83Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 2.99Å; E216-V219 PolarHBondContact O-N 3.22Å; E216-D220 WeakPolarHBondContact O-CB 3.32Å; E216-D220 VanDerWaalsContact O-CG 3.29Å; E216-D220 PolarHBondContact O-N 3.05Å
217	H	96.2	Very high	95	Very high	9 Å²	9	60.1 Å²	60.1	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-41.6	178.4	-174.8	93.1	0	0	0	113	R213 T214 Y215 K222 K223 L227	R213-H217 WeakPolarHBondContact O-CB 3.27Å; R213-H217 PolarHBondContact O-N 3.48Å; R213-H217 VanDerWaalsContact O-N 3.11Å; T214-H217 PolarHBondContact O-N 2.88Å; Y215-H217 VanDerWaalsContact C-N 3.29Å; Y215-H217 PolarHBondContact O-N 3.12Å; H217-K222 WeakPolarHBondContact NE2-CB 3.48Å; H217-K222 WeakPolarHBondContact O-CB 3.29Å; H217-K222 PolarHBondContact O-N 2.96Å; H217-K223 PolarHBondContact CD2-O 3.18Å; H217-K223 PolarHBondContact NE2-O 3.43Å; H217-L227 HydrophobicContact CB-CD1 4.03Å
218	L	96.7	Very high	95.1	Very high	25 Å²	25	68.5 Å²	68.5	13%	0.131	33%	0.331	C	S	.	.	H	α-helix	trans	-76.8	-36.9	-178.7	-68	175.4	0	0	0	112.6	T214 Y215 E216 D220 G221 R224 Q268 F308 F309	T214-L218 HydrophobicContact CG2-CD1 4.12Å; T214-L218 VanDerWaalsContact O-CG 3.31Å; T214-L218 WeakPolarHBondContact O-CG 3.43Å; T214-L218 PolarHBondContact O-N 3.01Å; T214-L218 VanDerWaalsContact O-N 3.09Å; Y215-L218 PolarHBondContact O-N 2.95Å; Y215-L218 VanDerWaalsContact O-N 3.12Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 2.99Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.08Å; L218-G221 PolarHBondContact O-N 3.05Å; L218-R224 HydrophobicContact CD2-CB 3.91Å; L218-Q268 HydrophobicContact CD1-CG 4.45Å; L218-F308 HydrophobicContact CB-CE1 4.02Å; L218-F308 HydrophobicContact CB-CZ 3.84Å; L218-F308 HydrophobicContact CD1-CE1 3.79Å; L218-F308 HydrophobicContact CD1-CZ 4.36Å; L218-F309 HydrophobicContact CD1-CE1 3.72Å; L218-F309 HydrophobicContact CD1-CZ 3.75Å
219	V	95.9	Very high	95.2	Very high	83 Å²	83	65 Å²	65	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-28.1	176.6	173.3	0	0	0	0	111.7	Y215 E216 G221 F308	Y215-V219 HydrophobicContact CD1-CG2 4.17Å; Y215-V219 HydrophobicContact CD2-CG2 4.16Å; Y215-V219 HydrophobicContact CE1-CG2 3.78Å; Y215-V219 HydrophobicContact CE2-CG2 3.77Å; Y215-V219 HydrophobicContact CG-CG2 4.35Å; Y215-V219 WeakPolarHBondContact O-CG2 3.21Å; Y215-V219 PolarHBondContact O-N 3.05Å; E216-V219 PolarHBondContact O-N 3.22Å; V219-G221 PolarHBondContact O-N 3.11Å; V219-G221 VanDerWaalsContact O-N 3.08Å; V219-F308 HydrophobicContact CG2-CE2 4.36Å; V219-F308 HydrophobicContact CG2-CZ 4.19Å
220	D	95.9	Very high	95.1	Very high	103 Å²	103	68.1 Å²	68.1	55%	0.551	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-0	168.1	-77.8	-4.6	0	0	0	113.7	E216 L218 K222	E216-D220 WeakPolarHBondContact O-CB 3.32Å; E216-D220 VanDerWaalsContact O-CG 3.29Å; E216-D220 PolarHBondContact O-N 3.05Å; L218-D220 VanDerWaalsContact C-N 3.26Å; L218-D220 PolarHBondContact O-N 3.08Å; D220-K222 VanDerWaalsContact C-N 3.29Å; D220-K222 HydrophobicContact CB-CD 4.1Å; D220-K222 HydrophobicContact CB-CG 4.26Å; D220-K222 PolarHBondContact O-N 3.15Å; D220-K222 IonicContact OD2-NZ 2.77Å; D220-K222 PolarHBondContact OD2-NZ 3.13Å
221	G	96	Very high	94.7	Very high	68 Å²	68	70.5 Å²	70.5	70%	0.701	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	11.6	179.6	0	0	0	0	0	114.5	L218 V219	L218-G221 PolarHBondContact O-N 3.05Å; V219-G221 PolarHBondContact O-N 3.11Å; V219-G221 VanDerWaalsContact O-N 3.08Å
222	K	97	Very high	94.2	Very high	93 Å²	93	69.8 Å²	69.8	40%	0.404	34%	0.34	S	S	.	.			trans	-81.2	151.4	177.4	-58.8	162.7	-177.2	149.8	0	109.9	H217 D220	H217-K222 WeakPolarHBondContact NE2-CB 3.48Å; H217-K222 WeakPolarHBondContact O-CB 3.29Å; H217-K222 PolarHBondContact O-N 2.96Å; D220-K222 VanDerWaalsContact C-N 3.29Å; D220-K222 HydrophobicContact CB-CD 4.1Å; D220-K222 HydrophobicContact CB-CG 4.26Å; D220-K222 PolarHBondContact O-N 3.15Å; D220-K222 IonicContact OD2-NZ 2.77Å; D220-K222 PolarHBondContact OD2-NZ 3.13Å
223	K	97.1	Very high	93.5	Very high	144 Å²	144	65.2 Å²	65.2	63%	0.626	33%	0.326	S	S	*	.			trans	-70.9	147.8	174.7	-59	178	179.5	176.1	0	109.5	H217 E225 D226	H217-K223 PolarHBondContact CD2-O 3.18Å; H217-K223 PolarHBondContact NE2-O 3.43Å; K223-E225 PolarHBondContact O-N 2.9Å; K223-D226 WeakPolarHBondContact CB-OD2 3.4Å; K223-D226 PolarHBondContact N-OD2 2.71Å; K223-D226 WeakPolarHBondContact O-CB 3.19Å; K223-D226 PolarHBondContact O-N 2.94Å; K223-D226 VanDerWaalsContact O-N 3.17Å
224	R	97.1	Very high	92.4	Very high	7 Å²	7	72.1 Å²	72.1	3%	0.026	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57	-43.1	177.3	-176.2	-170.3	-177.5	85.9	-7.5	111.2	G67 H69 L218 D226 L227 P266 H271	G67-R224 VanDerWaalsContact O-CZ 3.3Å; G67-R224 PolarHBondContact O-NE 3.46Å; G67-R224 PolarHBondContact O-NH2 3.36Å; H69-R224 PolarHBondContact CE1-O 2.84Å; H69-R224 PolarHBondContact NE2-O 3.12Å; L218-R224 HydrophobicContact CD2-CB 3.91Å; R224-D226 PolarHBondContact O-N 3.06Å; R224-L227 WeakPolarHBondContact O-CB 3.49Å; R224-L227 PolarHBondContact O-N 3.1Å; R224-P266 VanDerWaalsContact CZ-O 3.29Å; R224-P266 PolarHBondContact NH1-O 3.05Å; R224-P266 PolarHBondContact NH2-O 3.43Å; R224-H271 VanDerWaalsContact CZ-CE1 3.5Å; R224-H271 PolarHBondContact NE-CE1 3.14Å
225	E	96.6	Very high	91.3	Very high	114 Å²	114	77.2 Å²	77.2	53%	0.533	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.6	-175.7	-63.8	68.8	-149.2	0	0	112.2	H69 K223 L227	H69-E225 PolarHBondContact NE2-O 3.28Å; K223-E225 PolarHBondContact O-N 2.9Å; E225-L227 VanDerWaalsContact C-N 3.27Å; E225-L227 PolarHBondContact O-N 3.2Å
226	D	96.5	Very high	90.5	Very high	91 Å²	91	72.9 Å²	72.9	49%	0.487	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-76.9	-14.2	175	-60.4	-29.8	0	0	0	112.6	K223 R224 R228	K223-D226 WeakPolarHBondContact CB-OD2 3.4Å; K223-D226 PolarHBondContact N-OD2 2.71Å; K223-D226 WeakPolarHBondContact O-CB 3.19Å; K223-D226 PolarHBondContact O-N 2.94Å; K223-D226 VanDerWaalsContact O-N 3.17Å; R224-D226 PolarHBondContact O-N 3.06Å; D226-R228 WeakPolarHBondContact O-CG 3.46Å; D226-R228 PolarHBondContact O-N 2.95Å
227	L	94.8	Very high	89.5	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	35%	0.354	C	S	.	.			trans	-70.5	118.5	176.6	-171.8	69.9	0	0	0	109.2	H69 I70 T214 H217 R224 E225 D231 V232 L265	H69-L227 PolarHBondContact NE2-O 3.14Å; I70-L227 HydrophobicContact CD1-CD2 4.42Å; I70-L227 HydrophobicContact CD1-CG 4.28Å; I70-L227 WeakPolarHBondContact CD1-O 3.5Å; T214-L227 HydrophobicContact CG2-CD2 4.46Å; H217-L227 HydrophobicContact CB-CD1 4.03Å; R224-L227 WeakPolarHBondContact O-CB 3.49Å; R224-L227 PolarHBondContact O-N 3.1Å; E225-L227 VanDerWaalsContact C-N 3.27Å; E225-L227 PolarHBondContact O-N 3.2Å; L227-D231 HydrophobicContact CD1-CB 3.71Å; L227-V232 HydrophobicContact CD1-CG2 4.38Å; L227-V232 HydrophobicContact CD2-CG2 3.98Å; L227-V232 HydrophobicContact CG-CG2 4.13Å; L227-L265 HydrophobicContact CD2-CD1 4.05Å; L227-L265 HydrophobicContact CD2-CD2 3.88Å
228	R	93.3	Very high	88.6	Confident	177 Å²	177	76.7 Å²	76.7	67%	0.668	38%	0.379	S	S	*	.			trans	-99.4	164	-177	-50.6	-174.1	-158.1	-175.7	4.6	111.5	D226 T230 D231	D226-R228 WeakPolarHBondContact O-CG 3.46Å; D226-R228 PolarHBondContact O-N 2.95Å; R228-T230 VanDerWaalsContact C-N 3.25Å; R228-T230 PolarHBondContact O-N 2.9Å; R228-D231 WeakPolarHBondContact CB-OD2 3.46Å; R228-D231 PolarHBondContact N-OD2 2.79Å; R228-D231 WeakPolarHBondContact O-CB 3.49Å; R228-D231 PolarHBondContact O-N 2.89Å
229	Y	92.1	Very high	87.6	Confident	42 Å²	42	77.1 Å²	77.1	17%	0.165	39%	0.385	C	S	.	.	H	α-helix	trans	-51.1	-45.4	173.5	177.3	-117.7	0	0	0	112.5	I70 R74 D231 V232 D233 V261 P263	I70-Y229 HydrophobicContact CG2-CD2 4.06Å; R74-Y229 HydrophobicContact CG-CD2 4.41Å; Y229-D231 PolarHBondContact O-N 3Å; Y229-V232 PolarHBondContact O-N 3.31Å; Y229-V232 VanDerWaalsContact O-N 3.11Å; Y229-D233 HydrophobicContact CD1-CB 4.24Å; Y229-D233 HydrophobicContact CD2-CB 4.11Å; Y229-D233 HydrophobicContact CE1-CB 3.86Å; Y229-D233 HydrophobicContact CE2-CB 3.64Å; Y229-D233 HydrophobicContact CG-CB 4.37Å; Y229-D233 VanDerWaalsContact CZ-OD1 3.24Å; Y229-D233 VanDerWaalsContact O-CB 3.27Å; Y229-D233 WeakPolarHBondContact O-CB 3.37Å; Y229-D233 PolarHBondContact O-N 2.85Å; Y229-D233 PolarHBondContact OH-OD1 3.12Å; Y229-D233 PolarHBondContact OH-OD2 3.08Å; Y229-V261 WeakPolarHBondContact CE2-O 3.47Å; Y229-V261 PolarHBondContact OH-O 2.85Å; Y229-V261 VanDerWaalsContact OH-O 3.07Å; Y229-P263 HydrophobicContact CD2-CG 4.34Å
230	T	89.5	Confident	86.6	Confident	92 Å²	92	73.2 Å²	73.2	56%	0.564	36%	0.361	S	S	*	.	H	α-helix	trans	-63.1	-24.3	-179	50.4	0	0	0	0	114.2	R228 V232	R228-T230 VanDerWaalsContact C-N 3.25Å; R228-T230 PolarHBondContact O-N 2.9Å; T230-V232 VanDerWaalsContact C-N 3.29Å
231	D	86.3	Confident	85.6	Confident	50 Å²	50	69 Å²	69	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-74.9	-24	179	-64.9	-51.6	0	0	0	112.5	R213 L227 R228 Y229	R213-D231 PolarHBondContact NE-O 2.92Å; R213-D231 VanDerWaalsContact NE-O 3.09Å; R213-D231 IonicContact NH2-OD1 3.51Å; L227-D231 HydrophobicContact CD1-CB 3.71Å; R228-D231 WeakPolarHBondContact CB-OD2 3.46Å; R228-D231 PolarHBondContact N-OD2 2.79Å; R228-D231 WeakPolarHBondContact O-CB 3.49Å; R228-D231 PolarHBondContact O-N 2.89Å; Y229-D231 PolarHBondContact O-N 3Å
232	V	85.8	Confident	84.6	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-103.1	-44	-179.4	-170.8	0	0	0	0	110.5	I70 Y209 I210 L227 Y229 T230 R234 L236 P263	I70-V232 HydrophobicContact CD1-CG2 4.27Å; Y209-V232 HydrophobicContact CE1-CG1 4.3Å; Y209-V232 WeakPolarHBondContact CE1-O 3.26Å; I210-V232 HydrophobicContact CG1-CG1 3.92Å; L227-V232 HydrophobicContact CD1-CG2 4.38Å; L227-V232 HydrophobicContact CD2-CG2 3.98Å; L227-V232 HydrophobicContact CG-CG2 4.13Å; Y229-V232 PolarHBondContact O-N 3.31Å; Y229-V232 VanDerWaalsContact O-N 3.11Å; T230-V232 VanDerWaalsContact C-N 3.29Å; V232-R234 PolarHBondContact O-N 3.23Å; V232-L236 HydrophobicContact CG1-CD2 4.31Å; V232-L236 WeakPolarHBondContact O-CB 3.44Å; V232-L236 PolarHBondContact O-N 2.83Å; V232-P263 HydrophobicContact CB-CB 4.46Å; V232-P263 HydrophobicContact CB-CG 4.19Å; V232-P263 HydrophobicContact CG1-CB 3.76Å; V232-P263 HydrophobicContact CG1-CG 4.02Å
233	D	76.4	Confident	83.1	Confident	45 Å²	45	69.8 Å²	69.8	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-37.9	-168	-173.6	57.3	0	0	0	114.8	Y229 F235 L236	Y229-D233 HydrophobicContact CD1-CB 4.24Å; Y229-D233 HydrophobicContact CD2-CB 4.11Å; Y229-D233 HydrophobicContact CE1-CB 3.86Å; Y229-D233 HydrophobicContact CE2-CB 3.64Å; Y229-D233 HydrophobicContact CG-CB 4.37Å; Y229-D233 VanDerWaalsContact CZ-OD1 3.24Å; Y229-D233 VanDerWaalsContact O-CB 3.27Å; Y229-D233 WeakPolarHBondContact O-CB 3.37Å; Y229-D233 PolarHBondContact O-N 2.85Å; Y229-D233 PolarHBondContact OH-OD1 3.12Å; Y229-D233 PolarHBondContact OH-OD2 3.08Å; D233-F235 PolarHBondContact O-N 3.33Å; D233-L236 PolarHBondContact O-N 2.95Å
234	R	70.5	Confident	81.4	Confident	198 Å²	198	71.1 Å²	71.1	75%	0.747	34%	0.339	S	S	*	.	H	α-helix	trans	-50.4	-31.6	-169.1	-171.6	-179.6	-69	172.7	-0.4	114	V232	V232-R234 PolarHBondContact O-N 3.23Å
235	F	73.2	Confident	79.7	Confident	107 Å²	107	71.6 Å²	71.6	47%	0.469	35%	0.347	S	S	.	.	H	α-helix	trans	-123	-1.1	175.9	-56.9	-77.9	0	0	0	113.4	Y209 D233 K238 S239	Y209-F235 HydrophobicContact CE1-CB 4.43Å; Y209-F235 HydrophobicContact CE2-CB 3.76Å; D233-F235 PolarHBondContact O-N 3.33Å; F235-K238 PolarHBondContact O-N 2.98Å; F235-S239 WeakPolarHBondContact O-CB 3.48Å; F235-S239 PolarHBondContact O-N 3.15Å
236	L	79.7	Confident	77.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-48.2	-179.5	177.7	58.7	0	0	0	110.9	H97 Y209 I210 V232 D233 K238 S239 A240 V261 P263	H97-L236 HydrophobicContact CB-CD1 4.38Å; Y209-L236 HydrophobicContact CD1-CD1 4.43Å; I210-L236 HydrophobicContact CD1-CD1 3.71Å; I210-L236 HydrophobicContact CD1-CD2 4.25Å; I210-L236 HydrophobicContact CG1-CD1 3.68Å; I210-L236 HydrophobicContact CG1-CD2 4.47Å; V232-L236 HydrophobicContact CG1-CD2 4.31Å; V232-L236 WeakPolarHBondContact O-CB 3.44Å; V232-L236 PolarHBondContact O-N 2.83Å; D233-L236 PolarHBondContact O-N 2.95Å; L236-K238 VanDerWaalsContact C-N 3.3Å; L236-K238 PolarHBondContact O-N 3.33Å; L236-S239 CarbonylContact O-C 3.57Å; L236-S239 PolarHBondContact O-N 2.73Å; L236-S239 VanDerWaalsContact O-N 3.12Å; L236-A240 VanDerWaalsContact O-CB 3.23Å; L236-A240 WeakPolarHBondContact O-CB 3.38Å; L236-A240 PolarHBondContact O-N 3.21Å; L236-V261 HydrophobicContact CD2-CG1 3.67Å; L236-V261 HydrophobicContact CG-CG1 3.94Å; L236-P263 HydrophobicContact CD2-CB 3.79Å; L236-P263 HydrophobicContact CD2-CG 4.29Å
237	A	74	Confident	76.6	Confident	36 Å²	36	62.2 Å²	62.2	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-53	-51.6	175.6	0	0	0	0	0	110.4	S239 A240 F241	A237-S239 PolarHBondContact O-N 2.69Å; A237-A240 PolarHBondContact O-N 2.84Å; A237-F241 VanDerWaalsContact C-CD2 3.41Å; A237-F241 VanDerWaalsContact CA-CE2 3.45Å; A237-F241 HydrophobicContact CB-CD2 3.87Å; A237-F241 HydrophobicContact CB-CE2 3.53Å; A237-F241 VanDerWaalsContact O-CB 3.29Å; A237-F241 WeakPolarHBondContact O-CB 3.34Å; A237-F241 WeakPolarHBondContact O-CD2 3.31Å; A237-F241 WeakPolarHBondContact O-CG 3.1Å; A237-F241 PolarHBondContact O-N 2.97Å
238	K	75.7	Confident	75.3	Confident	134 Å²	134	63.9 Å²	63.9	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-59.4	-43.7	177.3	-170.4	173.8	-178.9	178.5	0	112.6	F235 L236 N242	F235-K238 PolarHBondContact O-N 2.98Å; L236-K238 VanDerWaalsContact C-N 3.3Å; L236-K238 PolarHBondContact O-N 3.33Å; K238-N242 WeakPolarHBondContact CG-ND2 3.45Å; K238-N242 WeakPolarHBondContact O-CB 3.18Å; K238-N242 PolarHBondContact O-N 2.61Å; K238-N242 PolarHBondContact O-ND2 2.82Å; K238-N242 PolarHBondContact O-OD1 3.16Å
239	S	76.3	Confident	73.9	Confident	34 Å²	34	63.2 Å²	63.2	24%	0.238	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-31.3	-179.4	-174.4	0	0	0	0	113.4	Y209 F235 L236 A237	Y209-S239 WeakPolarHBondContact CB-OG 3.42Å; F235-S239 WeakPolarHBondContact O-CB 3.48Å; F235-S239 PolarHBondContact O-N 3.15Å; L236-S239 CarbonylContact O-C 3.57Å; L236-S239 PolarHBondContact O-N 2.73Å; L236-S239 VanDerWaalsContact O-N 3.12Å; A237-S239 PolarHBondContact O-N 2.69Å
240	A	74	Confident	73	Confident	2 Å²	2	61.2 Å²	61.2	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-79.6	-33.1	179.6	0	0	0	0	0	111.7	A205 L236 A237	A205-A240 HydrophobicContact CB-CB 4.36Å; A205-A240 WeakPolarHBondContact CB-O 2.97Å; L236-A240 VanDerWaalsContact O-CB 3.23Å; L236-A240 WeakPolarHBondContact O-CB 3.38Å; L236-A240 PolarHBondContact O-N 3.21Å; A237-A240 PolarHBondContact O-N 2.84Å
241	F	76.2	Confident	72.5	Confident	15 Å²	15	60 Å²	60	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-101.3	-8.8	-172.4	-49	-39.4	0	0	0	114.2	H97 A237 L247 Q248 I253 V261	H97-F241 AromaticContact CE1-CE1 3.91Å; H97-F241 AromaticContact NE2-CE1 3.95Å; A237-F241 VanDerWaalsContact C-CD2 3.41Å; A237-F241 VanDerWaalsContact CA-CE2 3.45Å; A237-F241 HydrophobicContact CB-CD2 3.87Å; A237-F241 HydrophobicContact CB-CE2 3.53Å; A237-F241 VanDerWaalsContact O-CB 3.29Å; A237-F241 WeakPolarHBondContact O-CB 3.34Å; A237-F241 WeakPolarHBondContact O-CD2 3.31Å; A237-F241 WeakPolarHBondContact O-CG 3.1Å; A237-F241 PolarHBondContact O-N 2.97Å; F241-L247 HydrophobicContact CD1-CB 3.96Å; F241-L247 HydrophobicContact CD1-CD1 3.72Å; F241-L247 HydrophobicContact CD1-CG 4.33Å; F241-L247 HydrophobicContact CE1-CD1 3.55Å; F241-L247 HydrophobicContact CE1-CD2 4.43Å; F241-L247 HydrophobicContact CE1-CG 4.42Å; F241-Q248 WeakPolarHBondContact O-CA 3.19Å; F241-I253 HydrophobicContact CB-CG1 4.32Å; F241-I253 HydrophobicContact CB-CG2 4.1Å; F241-I253 HydrophobicContact CD1-CD1 3.79Å; F241-I253 HydrophobicContact CD1-CG1 3.75Å; F241-I253 HydrophobicContact CD2-CB 4.21Å; F241-I253 HydrophobicContact CD2-CD1 3.77Å; F241-I253 HydrophobicContact CD2-CG1 3.8Å; F241-I253 HydrophobicContact CD2-CG2 3.34Å; F241-I253 HydrophobicContact CE1-CD1 3.46Å; F241-I253 VanDerWaalsContact CE1-CD1 3.46Å; F241-I253 HydrophobicContact CE1-CG1 3.98Å; F241-I253 HydrophobicContact CE2-CD1 3.44Å; F241-I253 VanDerWaalsContact CE2-CD1 3.44Å; F241-I253 HydrophobicContact CE2-CG1 4.03Å; F241-I253 HydrophobicContact CE2-CG2 3.93Å; F241-I253 HydrophobicContact CG-CB 4.36Å; F241-I253 HydrophobicContact CG-CD1 3.96Å; F241-I253 HydrophobicContact CG-CG1 3.68Å; F241-I253 HydrophobicContact CG-CG2 3.81Å; F241-I253 HydrophobicContact CZ-CD1 3.28Å; F241-I253 HydrophobicContact CZ-CG1 4.12Å; F241-V261 HydrophobicContact CE2-CG2 4.2Å; F241-V261 HydrophobicContact CZ-CG2 3.85Å
242	N	73.6	Confident	72.2	Confident	88 Å²	88	57.7 Å²	57.7	47%	0.471	27%	0.274	S	S	.	.	S	Bend	trans	-84.2	-20.6	174.1	-76.4	2.4	0	0	0	113.7	K238 Q248	K238-N242 WeakPolarHBondContact CG-ND2 3.45Å; K238-N242 WeakPolarHBondContact O-CB 3.18Å; K238-N242 PolarHBondContact O-N 2.61Å; K238-N242 PolarHBondContact O-ND2 2.82Å; K238-N242 PolarHBondContact O-OD1 3.16Å; N242-Q248 PolarHBondContact O-NE2 3.14Å
243	N	66.3	Low	71.7	Confident	88 Å²	88	59.2 Å²	59.2	47%	0.471	28%	0.282	S	S	.	.	S	Bend	trans	-76.3	147.3	179	-67.8	-13	0	0	0	110.6	G245 Q248	N243-G245 PolarHBondContact O-N 3.26Å; N243-Q248 VanDerWaalsContact O-CB 3.31Å; N243-Q248 WeakPolarHBondContact O-CB 3.29Å; N243-Q248 VanDerWaalsContact O-CG 3.32Å; N243-Q248 WeakPolarHBondContact O-CG 2.95Å
244	E	61	Low	71.7	Confident	172 Å²	172	61.2 Å²	61.2	80%	0.804	30%	0.296	S	S	*	.	S	Bend	trans	-57.1	135	174.1	-65.5	-171.3	163.9	0	0	111.5
245	G	62.6	Low	72.3	Confident	18 Å²	18	56.1 Å²	56.1	19%	0.186	28%	0.279	C	S	.	.	S	Bend	trans	152.2	-178.8	-178.4	0	0	0	0	0	112.9	H169 N243 L247 Q248	H169-G245 WeakPolarHBondContact O-CA 3.05Å; N243-G245 PolarHBondContact O-N 3.26Å; G245-L247 PolarHBondContact O-N 3.4Å; G245-Q248 WeakPolarHBondContact O-CB 3.35Å; G245-Q248 PolarHBondContact O-N 3.16Å
246	G	59	Low	72.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.2	-173	0	0	0	0	0	116.1	M171	M171-G246 VanDerWaalsContact O-CA 3.29Å; M171-G246 WeakPolarHBondContact O-CA 3.07Å; M171-G246 PolarHBondContact O-N 2.94Å; M171-G246 VanDerWaalsContact O-N 3.08Å
247	L	67.6	Low	73.3	Confident	7 Å²	7	59 Å²	59	4%	0.037	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-16.1	175.4	-80.3	170	0	0	0	114.4	M168 L176 F241 G245 Y249 S250 I253	M168-L247 HydrophobicContact CE-CD1 3.06Å; M168-L247 HydrophobicContact CE-CD2 4.42Å; M168-L247 HydrophobicContact CE-CG 3.82Å; M168-L247 HydrophobicContact CG-CD1 4.23Å; M168-L247 HydrophobicContact CG-CG 4.05Å; M168-L247 HydrophobicContact SD-CD1 3.38Å; M168-L247 WeakPolarHBondContact SD-CD1 3.4Å; M168-L247 HydrophobicContact SD-CD2 3.71Å; M168-L247 HydrophobicContact SD-CG 3.37Å; M168-L247 WeakPolarHBondContact SD-CG 3.37Å; L176-L247 HydrophobicContact CD1-CD2 4.01Å; L176-L247 HydrophobicContact CD1-CG 4.24Å; F241-L247 HydrophobicContact CD1-CB 3.96Å; F241-L247 HydrophobicContact CD1-CD1 3.72Å; F241-L247 HydrophobicContact CD1-CG 4.33Å; F241-L247 HydrophobicContact CE1-CD1 3.55Å; F241-L247 HydrophobicContact CE1-CD2 4.43Å; F241-L247 HydrophobicContact CE1-CG 4.42Å; G245-L247 PolarHBondContact O-N 3.4Å; L247-Y249 PolarHBondContact O-N 3.22Å; L247-S250 PolarHBondContact O-N 3.2Å; L247-S250 PolarHBondContact O-OG 3.26Å; L247-S250 VanDerWaalsContact O-OG 3.12Å; L247-I253 HydrophobicContact CD2-CD1 3.97Å; L247-I253 HydrophobicContact CD2-CG1 3.96Å
248	Q	67.2	Low	74.1	Confident	36 Å²	36	58.4 Å²	58.4	17%	0.168	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	118	-178.6	-157.4	-166.9	19	0	0	107.8	H173 F241 N242 N243 G245 S250	H173-Q248 PolarHBondContact CD2-O 3.32Å; H173-Q248 PolarHBondContact NE2-O 2.72Å; F241-Q248 WeakPolarHBondContact O-CA 3.19Å; N242-Q248 PolarHBondContact O-NE2 3.14Å; N243-Q248 VanDerWaalsContact O-CB 3.31Å; N243-Q248 WeakPolarHBondContact O-CB 3.29Å; N243-Q248 VanDerWaalsContact O-CG 3.32Å; N243-Q248 WeakPolarHBondContact O-CG 2.95Å; G245-Q248 WeakPolarHBondContact O-CB 3.35Å; G245-Q248 PolarHBondContact O-N 3.16Å; Q248-S250 PolarHBondContact O-N 3.34Å
249	Y	65.3	Low	74.9	Confident	164 Å²	164	54 Å²	54	64%	0.643	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	11.2	-176.2	-47.9	-68.7	0	0	0	116.3	L247	L247-Y249 PolarHBondContact O-N 3.22Å
250	S	72.5	Confident	75.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.			trans	-59.7	146.1	178.5	68.5	0	0	0	0	110.6	D177 L247 Q248 L252 I253 T254	D177-S250 WeakPolarHBondContact OD1-CA 3.12Å; L247-S250 PolarHBondContact O-N 3.2Å; L247-S250 PolarHBondContact O-OG 3.26Å; L247-S250 VanDerWaalsContact O-OG 3.12Å; Q248-S250 PolarHBondContact O-N 3.34Å; S250-L252 PolarHBondContact O-N 2.9Å; S250-L252 VanDerWaalsContact O-N 3.11Å; S250-I253 PolarHBondContact O-N 2.64Å; S250-T254 PolarHBondContact O-N 2.87Å; S250-T254 PolarHBondContact O-OG1 3.48Å
251	E	79.6	Confident	76.5	Confident	67 Å²	67	53.2 Å²	53.2	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-26.2	178.2	-74.1	-161.6	157.9	0	0	112.5	D177 S180 I253 T254 K255	D177-E251 HydrophobicContact CB-CB 4.39Å; D177-E251 HydrophobicContact CB-CG 4.2Å; D177-E251 PolarHBondContact OD1-N 2.93Å; S180-E251 WeakPolarHBondContact CB-OE2 3.46Å; S180-E251 WeakPolarHBondContact OG-CB 3.32Å; S180-E251 PolarHBondContact OG-OE2 3.41Å; E251-I253 PolarHBondContact O-N 2.71Å; E251-T254 WeakPolarHBondContact CA-OG1 3.49Å; E251-T254 PolarHBondContact O-N 3.17Å; E251-T254 PolarHBondContact O-OG1 3.28Å; E251-K255 HydrophobicContact CB-CD 4.3Å; E251-K255 WeakPolarHBondContact O-CB 3.47Å; E251-K255 WeakPolarHBondContact O-CG 3.31Å; E251-K255 PolarHBondContact O-N 2.05Å; E251-K255 IonicContact OE1-NZ 3.14Å; E251-K255 PolarHBondContact OE1-NZ 3.34Å; E251-K255 IonicContact OE2-NZ 3.98Å; E251-K255 PolarHBondContact OE2-NZ 3.45Å
252	L	79.7	Confident	77.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-35.3	176.6	-60	-167.1	0	0	0	113.1	L176 L179 L183 F201 S250 L257 I258	L176-L252 HydrophobicContact CB-CD1 3.85Å; L176-L252 HydrophobicContact CB-CG 4.32Å; L176-L252 HydrophobicContact CD1-CD1 4.36Å; L179-L252 HydrophobicContact CB-CD2 4.12Å; L179-L252 HydrophobicContact CD1-CD1 4.3Å; L183-L252 HydrophobicContact CD1-CD1 4.33Å; L183-L252 HydrophobicContact CD1-CD2 3.72Å; F201-L252 HydrophobicContact CE1-CD1 4.27Å; F201-L252 HydrophobicContact CZ-CD1 4.03Å; S250-L252 PolarHBondContact O-N 2.9Å; S250-L252 VanDerWaalsContact O-N 3.11Å; L252-L257 HydrophobicContact CD2-CB 4.33Å; L252-L257 HydrophobicContact CD2-CD1 3.86Å; L252-L257 PolarHBondContact O-N 3.41Å; L252-I258 HydrophobicContact CB-CD1 4.41Å; L252-I258 HydrophobicContact CD1-CD1 4.5Å
253	I	76.2	Confident	78.5	Confident	32 Å²	32	48.3 Å²	48.3	16%	0.164	24%	0.238	C	C	.	.	H	α-helix	trans	-86.8	-47.4	-179.7	-58.3	-46.8	0	0	0	110.6	F241 L247 S250 E251 K255 H256 I258	F241-I253 HydrophobicContact CB-CG1 4.32Å; F241-I253 HydrophobicContact CB-CG2 4.1Å; F241-I253 HydrophobicContact CD1-CD1 3.79Å; F241-I253 HydrophobicContact CD1-CG1 3.75Å; F241-I253 HydrophobicContact CD2-CB 4.21Å; F241-I253 HydrophobicContact CD2-CD1 3.77Å; F241-I253 HydrophobicContact CD2-CG1 3.8Å; F241-I253 HydrophobicContact CD2-CG2 3.34Å; F241-I253 HydrophobicContact CE1-CD1 3.46Å; F241-I253 VanDerWaalsContact CE1-CD1 3.46Å; F241-I253 HydrophobicContact CE1-CG1 3.98Å; F241-I253 HydrophobicContact CE2-CD1 3.44Å; F241-I253 VanDerWaalsContact CE2-CD1 3.44Å; F241-I253 HydrophobicContact CE2-CG1 4.03Å; F241-I253 HydrophobicContact CE2-CG2 3.93Å; F241-I253 HydrophobicContact CG-CB 4.36Å; F241-I253 HydrophobicContact CG-CD1 3.96Å; F241-I253 HydrophobicContact CG-CG1 3.68Å; F241-I253 HydrophobicContact CG-CG2 3.81Å; F241-I253 HydrophobicContact CZ-CD1 3.28Å; F241-I253 HydrophobicContact CZ-CG1 4.12Å; L247-I253 HydrophobicContact CD2-CD1 3.97Å; L247-I253 HydrophobicContact CD2-CG1 3.96Å; S250-I253 PolarHBondContact O-N 2.64Å; E251-I253 PolarHBondContact O-N 2.71Å; I253-K255 VanDerWaalsContact C-N 3.25Å; I253-K255 PolarHBondContact O-N 3.44Å; I253-H256 PolarHBondContact O-N 3.24Å; I253-H256 VanDerWaalsContact O-N 3.08Å; I253-I258 HydrophobicContact CD1-CG1 3.8Å
254	T	75.3	Confident	80	Confident	88 Å²	88	44.1 Å²	44.1	54%	0.54	22%	0.216	S	C	.	.	H	α-helix	trans	-66.4	-29.2	-176.4	58.4	0	0	0	0	112.3	S250 E251	S250-T254 PolarHBondContact O-N 2.87Å; S250-T254 PolarHBondContact O-OG1 3.48Å; E251-T254 WeakPolarHBondContact CA-OG1 3.49Å; E251-T254 PolarHBondContact O-N 3.17Å; E251-T254 PolarHBondContact O-OG1 3.28Å
255	K	83.1	Confident	81.7	Confident	90 Å²	90	36 Å²	36	39%	0.391	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	7.1	174.5	-60	177.1	179.8	170	0	113.9	E251 I253 L257	E251-K255 HydrophobicContact CB-CD 4.3Å; E251-K255 WeakPolarHBondContact O-CB 3.47Å; E251-K255 WeakPolarHBondContact O-CG 3.31Å; E251-K255 PolarHBondContact O-N 2.05Å; E251-K255 IonicContact OE1-NZ 3.14Å; E251-K255 PolarHBondContact OE1-NZ 3.34Å; E251-K255 IonicContact OE2-NZ 3.98Å; E251-K255 PolarHBondContact OE2-NZ 3.45Å; I253-K255 VanDerWaalsContact C-N 3.25Å; I253-K255 PolarHBondContact O-N 3.44Å; K255-L257 VanDerWaalsContact C-N 3.28Å; K255-L257 HydrophobicContact CB-CD1 4.12Å; K255-L257 HydrophobicContact CB-CD2 4.29Å; K255-L257 HydrophobicContact CB-CG 3.84Å; K255-L257 HydrophobicContact CD-CD1 4.46Å; K255-L257 PolarHBondContact O-N 2.96Å
256	H	83.8	Confident	83.4	Confident	158 Å²	158	35.1 Å²	35.1	73%	0.731	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.4	179.5	-56.9	-65.4	0	0	0	114.3	I253	I253-H256 PolarHBondContact O-N 3.24Å; I253-H256 VanDerWaalsContact O-N 3.08Å
257	L	89.7	Confident	85.3	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.058	17%	0.17	C	C	.	.			trans	-80	-23.8	-176.1	-62	178	0	0	0	112.7	L183 E184 L252 K255 T259	L183-L257 HydrophobicContact CB-CB 4.07Å; L183-L257 HydrophobicContact CB-CD1 4.25Å; E184-L257 HydrophobicContact CB-CD2 4.12Å; E184-L257 HydrophobicContact CG-CD2 4.39Å; L252-L257 HydrophobicContact CD2-CB 4.33Å; L252-L257 HydrophobicContact CD2-CD1 3.86Å; L252-L257 PolarHBondContact O-N 3.41Å; K255-L257 VanDerWaalsContact C-N 3.28Å; K255-L257 HydrophobicContact CB-CD1 4.12Å; K255-L257 HydrophobicContact CB-CD2 4.29Å; K255-L257 HydrophobicContact CB-CG 3.84Å; K255-L257 HydrophobicContact CD-CD1 4.46Å; K255-L257 PolarHBondContact O-N 2.96Å; L257-T259 PolarHBondContact O-N 2.85Å
258	I	90.8	Very high	86.7	Confident	23 Å²	23	37 Å²	37	12%	0.118	18%	0.178	C	C	.	.			trans	-64.6	123.5	172.2	-57.5	-57.5	0	0	0	109.6	A93 F201 L252 I253 A260 V261	A93-I258 HydrophobicContact CB-CD1 4.37Å; F201-I258 HydrophobicContact CD2-CD1 3.79Å; F201-I258 HydrophobicContact CE2-CD1 3.69Å; L252-I258 HydrophobicContact CB-CD1 4.41Å; L252-I258 HydrophobicContact CD1-CD1 4.5Å; I253-I258 HydrophobicContact CD1-CG1 3.8Å; I258-A260 WeakPolarHBondContact CG2-O 3.38Å; I258-V261 HydrophobicContact CG2-CG2 4.17Å
259	T	92.8	Very high	88.2	Confident	42 Å²	42	37.1 Å²	37.1	26%	0.258	18%	0.182	S	C	.	.	S	Bend	trans	-69.8	-42	177.8	-58.5	0	0	0	0	111.2	L92 A93 L257	L92-T259 HydrophobicContact CD1-CG2 3.86Å; A93-T259 PolarHBondContact N-OG1 3.49Å; A93-T259 WeakPolarHBondContact O-CA 3.43Å; A93-T259 VanDerWaalsContact O-CB 3.25Å; A93-T259 WeakPolarHBondContact O-CB 3.24Å; A93-T259 PolarHBondContact O-N 3.3Å; L257-T259 PolarHBondContact O-N 2.85Å
260	A	92.3	Very high	89.7	Confident	5 Å²	5	33.4 Å²	33.4	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	139.3	172.6	0	0	0	0	0	113.2	H78 A93 L94 S95 I258 I262	H78-A260 WeakPolarHBondContact NE2-CB 3.47Å; A93-A260 PolarHBondContact O-N 3.42Å; L94-A260 HydrophobicContact CD2-CB 4.13Å; S95-A260 PolarHBondContact N-O 3.28Å; I258-A260 WeakPolarHBondContact CG2-O 3.38Å; A260-I262 HydrophobicContact CB-CD1 4.43Å; A260-I262 HydrophobicContact CB-CG1 4.21Å
261	V	92.3	Very high	91	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.085	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.4	165.7	-176	0	0	0	0	106.9	S95 H97 Y229 L236 F241 I258	S95-V261 CarbonylContact O-C 3.59Å; S95-V261 WeakPolarHBondContact O-CA 3.38Å; H97-V261 VanDerWaalsContact CD2-CG1 3.48Å; H97-V261 WeakPolarHBondContact CD2-CG1 3.27Å; Y229-V261 WeakPolarHBondContact CE2-O 3.47Å; Y229-V261 PolarHBondContact OH-O 2.85Å; Y229-V261 VanDerWaalsContact OH-O 3.07Å; L236-V261 HydrophobicContact CD2-CG1 3.67Å; L236-V261 HydrophobicContact CG-CG1 3.94Å; F241-V261 HydrophobicContact CE2-CG2 4.2Å; F241-V261 HydrophobicContact CZ-CG2 3.85Å; I258-V261 HydrophobicContact CG2-CG2 4.17Å
262	I	95.4	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.8	-172.7	-64.8	171.3	0	0	0	109.1	A71 R74 V75 L94 S95 F96 H97 A260 F264	A71-I262 HydrophobicContact CB-CG2 3.72Å; R74-I262 HydrophobicContact CB-CD1 4Å; R74-I262 HydrophobicContact CB-CG1 3.97Å; R74-I262 HydrophobicContact CB-CG2 4.45Å; V75-I262 HydrophobicContact CG2-CD1 3.84Å; L94-I262 HydrophobicContact CB-CD1 4.45Å; L94-I262 HydrophobicContact CD1-CD1 4.34Å; L94-I262 HydrophobicContact CD2-CD1 3.9Å; L94-I262 HydrophobicContact CG-CD1 4.47Å; S95-I262 PolarHBondContact O-N 2.98Å; F96-I262 WeakPolarHBondContact CA-O 3.37Å; F96-I262 HydrophobicContact CD1-CB 3.95Å; F96-I262 HydrophobicContact CD1-CD1 4.24Å; F96-I262 HydrophobicContact CD1-CG2 4.41Å; F96-I262 HydrophobicContact CE1-CB 4.33Å; F96-I262 HydrophobicContact CE1-CD1 3.8Å; H97-I262 PolarHBondContact N-O 3.44Å; A260-I262 HydrophobicContact CB-CD1 4.43Å; A260-I262 HydrophobicContact CB-CG1 4.21Å; I262-F264 HydrophobicContact CG2-CD2 4.48Å; I262-F264 HydrophobicContact CG2-CE2 4.02Å
263	P	96.1	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141	177.7	28.4	-31.6	0	0	0	111.9	I70 H97 I210 Y229 V232 L236	I70-P263 HydrophobicContact CG2-CG 3.89Å; H97-P263 CarbonylContact O-C 3.1Å; H97-P263 WeakPolarHBondContact O-CA 3.4Å; I210-P263 HydrophobicContact CD1-CB 3.82Å; I210-P263 HydrophobicContact CG1-CB 4.16Å; I210-P263 HydrophobicContact CG2-CB 4.47Å; Y229-P263 HydrophobicContact CD2-CG 4.34Å; V232-P263 HydrophobicContact CB-CB 4.46Å; V232-P263 HydrophobicContact CB-CG 4.19Å; V232-P263 HydrophobicContact CG1-CB 3.76Å; V232-P263 HydrophobicContact CG1-CG 4.02Å; L236-P263 HydrophobicContact CD2-CB 3.79Å; L236-P263 HydrophobicContact CD2-CG 4.29Å
264	F	97.7	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.3	167.5	-75.1	-110.9	0	0	0	109	Q68 A71 F96 H97 V102 K104 V107 I262	Q68-F264 HydrophobicContact CG-CD1 4.1Å; A71-F264 HydrophobicContact CB-CD1 4.34Å; A71-F264 HydrophobicContact CB-CD2 4.27Å; A71-F264 HydrophobicContact CB-CE1 4.03Å; A71-F264 HydrophobicContact CB-CE2 3.94Å; A71-F264 HydrophobicContact CB-CG 4.45Å; A71-F264 HydrophobicContact CB-CZ 3.82Å; F96-F264 HydrophobicContact CB-CD2 4.12Å; F96-F264 HydrophobicContact CB-CE2 3.63Å; F96-F264 HydrophobicContact CB-CZ 4.48Å; F96-F264 HydrophobicContact CD1-CE2 4.02Å; F96-F264 AromaticContact CD2-CE2 3.78Å; F96-F264 HydrophobicContact CD2-CE2 3.78Å; F96-F264 AromaticContact CD2-CZ 3.85Å; F96-F264 HydrophobicContact CD2-CZ 3.85Å; F96-F264 HydrophobicContact CE2-CE2 4.47Å; F96-F264 HydrophobicContact CE2-CZ 4.25Å; F96-F264 HydrophobicContact CG-CD2 4.49Å; F96-F264 AromaticContact CG-CE2 3.54Å; F96-F264 HydrophobicContact CG-CE2 3.54Å; F96-F264 HydrophobicContact CG-CZ 4.11Å; H97-F264 PolarHBondContact O-N 3Å; V102-F264 HydrophobicContact CB-CB 4.25Å; V102-F264 HydrophobicContact CG2-CB 3.39Å; V102-F264 HydrophobicContact CG2-CD1 4.16Å; V102-F264 HydrophobicContact CG2-CG 4.12Å; K104-F264 HydrophobicContact CG-CB 4.33Å; K104-F264 HydrophobicContact CG-CD1 4.12Å; K104-F264 HydrophobicContact CG-CD2 3.88Å; K104-F264 HydrophobicContact CG-CE1 4.41Å; K104-F264 HydrophobicContact CG-CE2 4.21Å; K104-F264 HydrophobicContact CG-CG 3.84Å; K104-F264 HydrophobicContact CG-CZ 4.46Å; V107-F264 HydrophobicContact CB-CE1 4.15Å; V107-F264 HydrophobicContact CB-CZ 3.9Å; V107-F264 HydrophobicContact CG1-CZ 4.25Å; V107-F264 HydrophobicContact CG2-CE1 3.63Å; V107-F264 HydrophobicContact CG2-CZ 3.82Å; I262-F264 HydrophobicContact CG2-CD2 4.48Å; I262-F264 HydrophobicContact CG2-CE2 4.02Å
265	L	97.9	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-78.5	151.8	-173.2	-56.3	-176.7	0	0	0	111.3	Q68 I70 I210 L227	Q68-L265 PolarHBondContact NE2-O 3.5Å; I70-L265 HydrophobicContact CD1-CD1 4.25Å; I70-L265 HydrophobicContact CD1-CD2 4.36Å; I210-L265 HydrophobicContact CG2-CD2 3.7Å; L227-L265 HydrophobicContact CD2-CD1 4.05Å; L227-L265 HydrophobicContact CD2-CD2 3.88Å
266	P	97.9	Very high	95.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-65.8	151.5	173.7	29.4	-36.4	0	0	0	111.9	N211 T214 R224 F309	N211-P266 HydrophobicContact CB-CG 4.3Å; N211-P266 WeakPolarHBondContact OD1-CB 3.47Å; N211-P266 WeakPolarHBondContact OD1-CD 3.46Å; N211-P266 WeakPolarHBondContact OD1-CG 3.16Å; T214-P266 HydrophobicContact CG2-CG 4.05Å; R224-P266 VanDerWaalsContact CZ-O 3.29Å; R224-P266 PolarHBondContact NH1-O 3.05Å; R224-P266 PolarHBondContact NH2-O 3.43Å; P266-F309 HydrophobicContact CB-CB 3.91Å; P266-F309 HydrophobicContact CB-CD1 3.92Å; P266-F309 HydrophobicContact CB-CD2 3.87Å; P266-F309 HydrophobicContact CB-CE1 4.39Å; P266-F309 HydrophobicContact CB-CE2 4.32Å; P266-F309 HydrophobicContact CB-CG 3.64Å; P266-F309 HydrophobicContact CG-CD1 3.89Å; P266-F309 HydrophobicContact CG-CD2 3.66Å; P266-F309 HydrophobicContact CG-CE1 3.86Å; P266-F309 HydrophobicContact CG-CE2 3.59Å; P266-F309 HydrophobicContact CG-CG 3.8Å; P266-F309 HydrophobicContact CG-CZ 3.71Å
267	L	98.4	Very high	96.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-96.6	130	-173.2	-61.4	-175.5	0	0	0	112.2	H66 H271 I272 F309 S310 C314	H66-L267 WeakPolarHBondContact O-CD2 3.15Å; L267-H271 HydrophobicContact CB-CB 4.14Å; L267-H271 HydrophobicContact CD2-CB 4.04Å; L267-I272 HydrophobicContact CB-CD1 4.08Å; L267-I272 HydrophobicContact CD1-CD1 4.36Å; L267-F309 CarbonylContact O-C 3.54Å; L267-F309 VanDerWaalsContact O-CA 3.32Å; L267-F309 WeakPolarHBondContact O-CA 3.21Å; L267-S310 PolarHBondContact O-N 3.37Å; L267-C314 HydrophobicContact CD1-CB 4.38Å; L267-C314 WeakPolarHBondContact CD1-SG 3.45Å
268	Q	97.8	Very high	96.6	Very high	42 Å²	42	28.9 Å²	28.9	20%	0.196	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-85.6	166.1	174.9	-69.5	169.9	-99.5	0	0	111.5	L218 T270 H271 I272 F308 F309	L218-Q268 HydrophobicContact CD1-CG 4.45Å; Q268-T270 PolarHBondContact O-N 3.19Å; Q268-T270 VanDerWaalsContact O-N 3.12Å; Q268-H271 PolarHBondContact N-ND1 3.37Å; Q268-H271 VanDerWaalsContact N-ND1 3.19Å; Q268-H271 WeakPolarHBondContact O-CB 3.2Å; Q268-H271 PolarHBondContact O-N 3.07Å; Q268-I272 PolarHBondContact O-N 3.22Å; Q268-I272 VanDerWaalsContact O-N 3.14Å; Q268-F308 WeakPolarHBondContact CA-O 3.36Å; Q268-F309 HydrophobicContact CG-CD1 3.76Å; Q268-F309 HydrophobicContact CG-CE1 3.65Å
269	P	97.9	Very high	96.9	Very high	38 Å²	38	28 Å²	28	25%	0.247	14%	0.143	C	C	.	.	H	α-helix	trans	-51.8	-36	177.7	-29.1	34.9	0	0	0	114.4	H271 I272 R273 L296 W301 K307 F308	P269-H271 VanDerWaalsContact C-N 3.3Å; P269-H271 PolarHBondContact O-N 2.85Å; P269-I272 PolarHBondContact O-N 3.42Å; P269-R273 PolarHBondContact O-N 3.31Å; P269-L296 HydrophobicContact CB-CD1 4.43Å; P269-L296 HydrophobicContact CB-CD2 4.02Å; P269-W301 HydrophobicContact CB-CH2 4.17Å; P269-W301 HydrophobicContact CG-CH2 3.8Å; P269-W301 HydrophobicContact CG-CZ3 3.72Å; P269-K307 WeakPolarHBondContact CD-O 3.44Å; P269-K307 HydrophobicContact CG-CB 4.4Å; P269-K307 WeakPolarHBondContact CG-O 3.48Å; P269-F308 WeakPolarHBondContact CD-O 3.27Å
270	T	97.3	Very high	97.2	Very high	86 Å²	86	26 Å²	26	53%	0.528	13%	0.131	S	C	.	.	H	α-helix	trans	-61	-36.1	176.3	50.1	0	0	0	0	112.7	Q268	Q268-T270 PolarHBondContact O-N 3.19Å; Q268-T270 VanDerWaalsContact O-N 3.12Å
271	H	98.2	Very high	97.4	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.046	16%	0.164	C	C	.	.	H	α-helix	trans	-76.6	-38	175.2	-50.1	135.4	0	0	0	111.5	H66 G67 R224 L267 Q268 P269 R273 K274 C275	H66-H271 HydrophobicContact CB-CB 4.24Å; G67-H271 WeakPolarHBondContact CA-NE2 3.38Å; R224-H271 VanDerWaalsContact CZ-CE1 3.5Å; R224-H271 PolarHBondContact NE-CE1 3.14Å; L267-H271 HydrophobicContact CB-CB 4.14Å; L267-H271 HydrophobicContact CD2-CB 4.04Å; Q268-H271 PolarHBondContact N-ND1 3.37Å; Q268-H271 VanDerWaalsContact N-ND1 3.19Å; Q268-H271 WeakPolarHBondContact O-CB 3.2Å; Q268-H271 PolarHBondContact O-N 3.07Å; P269-H271 VanDerWaalsContact C-N 3.3Å; P269-H271 PolarHBondContact O-N 2.85Å; H271-R273 VanDerWaalsContact C-N 3.3Å; H271-R273 PolarHBondContact O-N 3.33Å; H271-K274 WeakPolarHBondContact O-CB 3.41Å; H271-K274 PolarHBondContact O-N 3.42Å; H271-K274 VanDerWaalsContact O-N 3.12Å; H271-C275 PolarHBondContact O-N 2.83Å
272	I	98.3	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-41.2	176	-59.1	-52.3	0	0	0	110.6	L267 Q268 P269 K274 C275 V276 V295 L296 L299 W301 V317	L267-I272 HydrophobicContact CB-CD1 4.08Å; L267-I272 HydrophobicContact CD1-CD1 4.36Å; Q268-I272 PolarHBondContact O-N 3.22Å; Q268-I272 VanDerWaalsContact O-N 3.14Å; P269-I272 PolarHBondContact O-N 3.42Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 2.81Å; I272-C275 CarbonylContact O-C 3.51Å; I272-C275 WeakPolarHBondContact O-CA 3.47Å; I272-C275 WeakPolarHBondContact O-CB 2.83Å; I272-C275 PolarHBondContact O-N 3.48Å; I272-C275 VanDerWaalsContact O-N 3.08Å; I272-V276 HydrophobicContact CG2-CG2 4.5Å; I272-V276 WeakPolarHBondContact O-CG2 3.34Å; I272-V276 PolarHBondContact O-N 3.37Å; I272-V295 HydrophobicContact CG2-CG1 4.18Å; I272-L296 HydrophobicContact CB-CD2 3.88Å; I272-L296 HydrophobicContact CG2-CD2 3.74Å; I272-L299 HydrophobicContact CG1-CD1 4.45Å; I272-L299 HydrophobicContact CG2-CD1 3.68Å; I272-W301 HydrophobicContact CG1-CH2 3.93Å; I272-V317 HydrophobicContact CG2-CG2 4.05Å
273	R	98.4	Very high	97.6	Very high	99 Å²	99	45 Å²	45	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-52.8	-45.6	172.1	177.6	-175.7	-72.1	-130.4	-3	112	P269 H271 V276 Q277 F287 E289 V292	P269-R273 PolarHBondContact O-N 3.31Å; H271-R273 VanDerWaalsContact C-N 3.3Å; H271-R273 PolarHBondContact O-N 3.33Å; R273-V276 WeakPolarHBondContact O-CB 3.25Å; R273-V276 PolarHBondContact O-N 2.86Å; R273-Q277 WeakPolarHBondContact O-CG 3.41Å; R273-Q277 PolarHBondContact O-N 3.2Å; R273-F287 HydrophobicContact CG-CZ 4.33Å; R273-E289 IonicContact CZ-OE1 2.72Å; R273-E289 IonicContact CZ-OE2 2.99Å; R273-E289 IonicContact NH1-OE1 3.42Å; R273-E289 PolarHBondContact NH1-OE1 3.38Å; R273-E289 IonicContact NH1-OE2 2.88Å; R273-E289 PolarHBondContact NH1-OE2 3.09Å; R273-E289 IonicContact NH2-OE1 3.2Å; R273-E289 IonicContact NH2-OE2 2.66Å; R273-E289 PolarHBondContact NH2-OE2 3.16Å; R273-V292 HydrophobicContact CB-CG1 4.05Å; R273-V292 HydrophobicContact CG-CG1 4.13Å; R273-V292 HydrophobicContact CG-CG2 4.07Å
274	K	98.1	Very high	97.6	Very high	95 Å²	95	52.4 Å²	52.4	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-40.7	176.7	-63.1	-173.9	-179.4	-173.8	0	112	H66 H271 I272 V276 Q277 D278	H66-K274 HydrophobicContact CB-CB 4.44Å; H66-K274 HydrophobicContact CB-CD 4.27Å; H66-K274 WeakPolarHBondContact ND1-CD 3.43Å; H271-K274 WeakPolarHBondContact O-CB 3.41Å; H271-K274 PolarHBondContact O-N 3.42Å; H271-K274 VanDerWaalsContact O-N 3.12Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 2.81Å; K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.41Å; K274-Q277 WeakPolarHBondContact O-CB 3.19Å; K274-Q277 PolarHBondContact O-N 2.81Å; K274-Q277 VanDerWaalsContact O-N 3.12Å; K274-D278 PolarHBondContact O-N 3.33Å
275	C	98	Very high	97.6	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-33.5	172.7	-67.8	0	0	0	0	113.1	H271 I272 D278 A279 C314 V317	H271-C275 PolarHBondContact O-N 2.83Å; I272-C275 CarbonylContact O-C 3.51Å; I272-C275 WeakPolarHBondContact O-CA 3.47Å; I272-C275 WeakPolarHBondContact O-CB 2.83Å; I272-C275 PolarHBondContact O-N 3.48Å; I272-C275 VanDerWaalsContact O-N 3.08Å; C275-D278 PolarHBondContact O-N 3.48Å; C275-A279 WeakPolarHBondContact O-CB 3.08Å; C275-A279 PolarHBondContact O-N 3.41Å; C275-C314 HydrophobicContact CB-CB 3.68Å; C275-C314 WeakPolarHBondContact CB-SG 2.9Å; C275-C314 WeakPolarHBondContact SG-CB 3.47Å; C275-C314 CovalentContact SG-SG 2.02Å; C275-C314 PolarHBondContact SG-SG 3.48Å; C275-V317 HydrophobicContact CB-CB 4.45Å; C275-V317 HydrophobicContact CB-CG1 4.09Å; C275-V317 HydrophobicContact CB-CG2 4.35Å
276	V	98.5	Very high	97.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-43.7	172.5	173.1	0	0	0	0	110.4	I272 R273 K274 D278 A279 A280 F287 M291 V292 V295 V317 V321	I272-V276 HydrophobicContact CG2-CG2 4.5Å; I272-V276 WeakPolarHBondContact O-CG2 3.34Å; I272-V276 PolarHBondContact O-N 3.37Å; R273-V276 WeakPolarHBondContact O-CB 3.25Å; R273-V276 PolarHBondContact O-N 2.86Å; K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.41Å; V276-D278 VanDerWaalsContact C-N 3.33Å; V276-D278 PolarHBondContact O-N 2.03Å; V276-A279 PolarHBondContact O-N 3.12Å; V276-A280 WeakPolarHBondContact O-CB 3.35Å; V276-A280 PolarHBondContact O-N 2.84Å; V276-F287 HydrophobicContact CG1-CD2 4.28Å; V276-F287 HydrophobicContact CG1-CE2 4.17Å; V276-M291 HydrophobicContact CG1-CG 3.85Å; V276-M291 HydrophobicContact CG1-SD 3.75Å; V276-V292 HydrophobicContact CB-CG2 4.25Å; V276-V292 HydrophobicContact CG1-CG2 3.9Å; V276-V295 HydrophobicContact CG2-CB 3.87Å; V276-V295 HydrophobicContact CG2-CG1 3.75Å; V276-V295 HydrophobicContact CG2-CG2 4Å; V276-V317 HydrophobicContact CB-CG1 4.41Å; V276-V317 HydrophobicContact CG2-CG1 3.68Å; V276-V321 HydrophobicContact CG1-CG2 4.02Å; V276-V321 HydrophobicContact CG2-CG2 4.43Å
277	Q	97.9	Very high	97.5	Very high	79 Å²	79	63.9 Å²	63.9	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-46.1	174	-69.2	171.4	-15.8	0	0	111.5	R273 K274 A279 A280 K281 F287	R273-Q277 WeakPolarHBondContact O-CG 3.41Å; R273-Q277 PolarHBondContact O-N 3.2Å; K274-Q277 WeakPolarHBondContact O-CB 3.19Å; K274-Q277 PolarHBondContact O-N 2.81Å; K274-Q277 VanDerWaalsContact O-N 3.12Å; Q277-A279 PolarHBondContact O-N 3.43Å; Q277-A280 PolarHBondContact O-N 2.85Å; Q277-K281 WeakPolarHBondContact O-CB 3.43Å; Q277-K281 PolarHBondContact O-N 3.49Å; Q277-F287 HydrophobicContact CB-CD2 4.21Å; Q277-F287 HydrophobicContact CB-CE2 4.37Å; Q277-F287 HydrophobicContact CG-CD1 4.26Å; Q277-F287 HydrophobicContact CG-CD2 3.39Å; Q277-F287 HydrophobicContact CG-CE1 4.15Å; Q277-F287 HydrophobicContact CG-CE2 3.23Å; Q277-F287 HydrophobicContact CG-CG 3.91Å; Q277-F287 HydrophobicContact CG-CZ 3.65Å
278	D	96.9	Very high	97.4	Very high	48 Å²	48	65.3 Å²	65.3	26%	0.257	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-40.8	177.6	-67.1	-27.5	0	0	0	112.2	H66 K274 C275 V276 K281 R282	H66-D278 IonicContact CD2-OD2 2.71Å; H66-D278 PolarHBondContact CD2-OD2 2.73Å; H66-D278 IonicContact CE1-OD2 3.52Å; H66-D278 IonicContact NE2-OD2 3.75Å; H66-D278 PolarHBondContact NE2-OD2 3.44Å; K274-D278 PolarHBondContact O-N 3.33Å; C275-D278 PolarHBondContact O-N 3.48Å; V276-D278 VanDerWaalsContact C-N 3.33Å; V276-D278 PolarHBondContact O-N 2.03Å; D278-K281 PolarHBondContact O-N 2.96Å; D278-R282 WeakPolarHBondContact O-CB 3.03Å; D278-R282 VanDerWaalsContact O-CG 3.3Å; D278-R282 WeakPolarHBondContact O-CG 3.27Å; D278-R282 PolarHBondContact O-N 2.94Å
279	A	97.4	Very high	97.4	Very high	4 Å²	4	67 Å²	67	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-42.2	176.7	0	0	0	0	0	112.1	C275 V276 Q277 R282 R283 V317 Y318 V321	C275-A279 WeakPolarHBondContact O-CB 3.08Å; C275-A279 PolarHBondContact O-N 3.41Å; V276-A279 PolarHBondContact O-N 3.12Å; Q277-A279 PolarHBondContact O-N 3.43Å; A279-R282 PolarHBondContact O-N 3.46Å; A279-R283 WeakPolarHBondContact O-CB 3.34Å; A279-R283 WeakPolarHBondContact O-CG 3.34Å; A279-R283 PolarHBondContact O-N 2.9Å; A279-V317 HydrophobicContact CB-CG1 4.37Å; A279-Y318 HydrophobicContact CB-CD2 4.01Å; A279-V321 HydrophobicContact CB-CB 4.34Å; A279-V321 HydrophobicContact CB-CG2 3.99Å
280	A	97.7	Very high	97.3	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.1	0	0	0	0	0	111.1	V276 Q277 R282 R283 N284 V285 F287 M291	V276-A280 WeakPolarHBondContact O-CB 3.35Å; V276-A280 PolarHBondContact O-N 2.84Å; Q277-A280 PolarHBondContact O-N 2.85Å; A280-R282 PolarHBondContact O-N 3.42Å; A280-R283 CarbonylContact O-C 3.57Å; A280-R283 PolarHBondContact O-N 3.02Å; A280-R283 VanDerWaalsContact O-N 3.17Å; A280-N284 PolarHBondContact O-N 3.19Å; A280-V285 HydrophobicContact CB-CG2 3.94Å; A280-V285 PolarHBondContact O-N 2.71Å; A280-V285 VanDerWaalsContact O-N 3.08Å; A280-F287 HydrophobicContact CB-CB 4.26Å; A280-M291 HydrophobicContact CB-SD 4.12Å
281	K	97	Very high	97.4	Very high	171 Å²	171	66 Å²	66	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-58.7	-46.2	175.1	-175.5	179.3	178.3	-177.5	0	111.9	Q277 D278 R283 N284	Q277-K281 WeakPolarHBondContact O-CB 3.43Å; Q277-K281 PolarHBondContact O-N 3.49Å; D278-K281 PolarHBondContact O-N 2.96Å; K281-R283 VanDerWaalsContact C-N 3.27Å; K281-R283 PolarHBondContact O-N 2.65Å; K281-N284 PolarHBondContact O-N 2.79Å; K281-N284 VanDerWaalsContact O-N 3.1Å
282	R	96	Very high	97.3	Very high	162 Å²	162	65.5 Å²	65.5	61%	0.611	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-30.8	177.5	-73.9	175.6	-171.9	172.8	5.7	113.1	D278 A279 A280 N284 Y318	D278-R282 WeakPolarHBondContact O-CB 3.03Å; D278-R282 VanDerWaalsContact O-CG 3.3Å; D278-R282 WeakPolarHBondContact O-CG 3.27Å; D278-R282 PolarHBondContact O-N 2.94Å; A279-R282 PolarHBondContact O-N 3.46Å; A280-R282 PolarHBondContact O-N 3.42Å; R282-N284 VanDerWaalsContact C-N 3.33Å; R282-Y318 HydrophobicContact CB-CE2 4.2Å
283	R	95.6	Very high	97.3	Very high	86 Å²	86	71 Å²	71	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-85.7	-3.3	175.5	-73.9	179.5	171.9	-86.3	1.1	113.8	A279 A280 K281 V285 Y318 G322	A279-R283 WeakPolarHBondContact O-CB 3.34Å; A279-R283 WeakPolarHBondContact O-CG 3.34Å; A279-R283 PolarHBondContact O-N 2.9Å; A280-R283 CarbonylContact O-C 3.57Å; A280-R283 PolarHBondContact O-N 3.02Å; A280-R283 VanDerWaalsContact O-N 3.17Å; K281-R283 VanDerWaalsContact C-N 3.27Å; K281-R283 PolarHBondContact O-N 2.65Å; R283-V285 VanDerWaalsContact C-N 3.3Å; R283-V285 HydrophobicContact CB-CG1 4.34Å; R283-V285 HydrophobicContact CB-CG2 4.11Å; R283-V285 PolarHBondContact O-N 3.33Å; R283-Y318 HydrophobicContact CG-CE2 3.72Å; R283-Y318 PolarHBondContact NE-O 3.42Å; R283-Y318 PolarHBondContact NH2-O 3.42Å; R283-Y318 VanDerWaalsContact NH2-O 3.13Å; R283-G322 VanDerWaalsContact CZ-CA 3.44Å
284	N	96.8	Very high	97.3	Very high	155 Å²	155	68 Å²	68	83%	0.829	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	43.1	-175.2	-161.4	40.9	0	0	0	113.1	A280 K281 R282	A280-N284 PolarHBondContact O-N 3.19Å; K281-N284 PolarHBondContact O-N 2.79Å; K281-N284 VanDerWaalsContact O-N 3.1Å; R282-N284 VanDerWaalsContact C-N 3.33Å
285	V	96.9	Very high	97.3	Very high	50 Å²	50	63.5 Å²	63.5	30%	0.303	31%	0.311	S	S	.	.			trans	-119.1	157.9	176.3	-61.2	0	0	0	0	111	A280 R283 F287 M291 L325	A280-V285 HydrophobicContact CB-CG2 3.94Å; A280-V285 PolarHBondContact O-N 2.71Å; A280-V285 VanDerWaalsContact O-N 3.08Å; R283-V285 VanDerWaalsContact C-N 3.3Å; R283-V285 HydrophobicContact CB-CG1 4.34Å; R283-V285 HydrophobicContact CB-CG2 4.11Å; R283-V285 PolarHBondContact O-N 3.33Å; V285-F287 PolarHBondContact O-N 3.31Å; V285-M291 HydrophobicContact CG2-CE 4.18Å; V285-L325 HydrophobicContact CB-CD2 4.46Å; V285-L325 HydrophobicContact CG1-CD1 3.98Å; V285-L325 HydrophobicContact CG1-CD2 4.32Å; V285-L325 HydrophobicContact CG2-CD1 4.11Å; V285-L325 HydrophobicContact CG2-CD2 4.38Å
286	T	96.4	Very high	97.2	Very high	127 Å²	127	63.8 Å²	63.8	78%	0.779	31%	0.311	S	S	*	.			trans	-68.3	129.6	175.1	-50.7	0	0	0	0	110.4
287	F	97.3	Very high	97.1	Very high	65 Å²	65	68.8 Å²	68.8	29%	0.285	34%	0.338	S	S	.	.			trans	-71	134.6	170.7	167.4	-99.3	0	0	0	110.4	R273 V276 Q277 A280 V285 V292	R273-F287 HydrophobicContact CG-CZ 4.33Å; V276-F287 HydrophobicContact CG1-CD2 4.28Å; V276-F287 HydrophobicContact CG1-CE2 4.17Å; Q277-F287 HydrophobicContact CB-CD2 4.21Å; Q277-F287 HydrophobicContact CB-CE2 4.37Å; Q277-F287 HydrophobicContact CG-CD1 4.26Å; Q277-F287 HydrophobicContact CG-CD2 3.39Å; Q277-F287 HydrophobicContact CG-CE1 4.15Å; Q277-F287 HydrophobicContact CG-CE2 3.23Å; Q277-F287 HydrophobicContact CG-CG 3.91Å; Q277-F287 HydrophobicContact CG-CZ 3.65Å; A280-F287 HydrophobicContact CB-CB 4.26Å; V285-F287 PolarHBondContact O-N 3.31Å; F287-V292 HydrophobicContact CD2-CG2 4.4Å; F287-V292 HydrophobicContact CE2-CG2 3.29Å; F287-V292 HydrophobicContact CZ-CG2 3.58Å
288	S	97	Very high	97	Very high	35 Å²	35	68.8 Å²	68.8	25%	0.245	34%	0.337	C	S	.	.			trans	-134.4	155.2	175	65.5	0	0	0	0	111.3	D290 M291 V292	S288-D290 VanDerWaalsContact C-N 3.34Å; S288-M291 WeakPolarHBondContact O-CB 3.28Å; S288-M291 PolarHBondContact O-N 3.44Å; S288-M291 WeakPolarHBondContact OG-CB 3.23Å; S288-M291 PolarHBondContact OG-N 3.47Å; S288-V292 PolarHBondContact O-N 3.02Å
289	E	97.3	Very high	97	Very high	77 Å²	77	67 Å²	67	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-67.8	-35.3	174.3	-68.6	-66.5	134	0	0	111.5	R273 M291 V292 E293	R273-E289 IonicContact CZ-OE1 2.72Å; R273-E289 IonicContact CZ-OE2 2.99Å; R273-E289 IonicContact NH1-OE1 3.42Å; R273-E289 PolarHBondContact NH1-OE1 3.38Å; R273-E289 IonicContact NH1-OE2 2.88Å; R273-E289 PolarHBondContact NH1-OE2 3.09Å; R273-E289 IonicContact NH2-OE1 3.2Å; R273-E289 IonicContact NH2-OE2 2.66Å; R273-E289 PolarHBondContact NH2-OE2 3.16Å; E289-M291 VanDerWaalsContact C-N 3.26Å; E289-M291 PolarHBondContact O-N 3.38Å; E289-V292 CarbonylContact O-C 3.6Å; E289-V292 WeakPolarHBondContact O-CA 3.35Å; E289-V292 VanDerWaalsContact O-CB 3.32Å; E289-V292 WeakPolarHBondContact O-CB 3.39Å; E289-V292 PolarHBondContact O-N 3Å; E289-E293 PolarHBondContact O-N 3.36Å
290	D	97.3	Very high	97	Very high	102 Å²	102	72.9 Å²	72.9	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-39	173.9	-57.9	-11.1	0	0	0	112.2	S288 V292 E293 F294 Y324	S288-D290 VanDerWaalsContact C-N 3.34Å; D290-V292 VanDerWaalsContact C-N 3.31Å; D290-V292 PolarHBondContact O-N 3.49Å; D290-E293 PolarHBondContact O-N 2.97Å; D290-F294 WeakPolarHBondContact O-CB 3.48Å; D290-F294 PolarHBondContact O-N 2.9Å; D290-Y324 WeakPolarHBondContact CB-OH 3.33Å
291	M	97.5	Very high	96.9	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-37.7	174.7	-176.5	-170.5	-61.7	0	0	111.2	V276 A280 V285 S288 E289 V295 V321 Y324 L325	V276-M291 HydrophobicContact CG1-CG 3.85Å; V276-M291 HydrophobicContact CG1-SD 3.75Å; A280-M291 HydrophobicContact CB-SD 4.12Å; V285-M291 HydrophobicContact CG2-CE 4.18Å; S288-M291 WeakPolarHBondContact O-CB 3.28Å; S288-M291 PolarHBondContact O-N 3.44Å; S288-M291 WeakPolarHBondContact OG-CB 3.23Å; S288-M291 PolarHBondContact OG-N 3.47Å; E289-M291 VanDerWaalsContact C-N 3.26Å; E289-M291 PolarHBondContact O-N 3.38Å; M291-V295 WeakPolarHBondContact O-CG2 3.37Å; M291-V295 PolarHBondContact O-N 2.81Å; M291-V295 VanDerWaalsContact O-N 3.11Å; M291-V321 HydrophobicContact CE-CG1 4.33Å; M291-V321 HydrophobicContact CG-CG1 4.45Å; M291-V321 HydrophobicContact CG-CG2 4.2Å; M291-V321 HydrophobicContact SD-CB 4.4Å; M291-V321 HydrophobicContact SD-CG1 3.64Å; M291-V321 HydrophobicContact SD-CG2 3.99Å; M291-Y324 HydrophobicContact CB-CD1 3.92Å; M291-Y324 HydrophobicContact CB-CE1 3.71Å; M291-Y324 HydrophobicContact CE-CD1 4.03Å; M291-Y324 HydrophobicContact CE-CE1 4.02Å; M291-Y324 HydrophobicContact CG-CD1 3.78Å; M291-Y324 HydrophobicContact CG-CE1 4.07Å; M291-Y324 HydrophobicContact CG-CG 4.33Å; M291-L325 HydrophobicContact CE-CD2 4.17Å
292	V	98	Very high	96.8	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-49.2	176.2	177.9	0	0	0	0	110.2	R273 V276 F287 S288 E289 D290 F294 V295 L296	R273-V292 HydrophobicContact CB-CG1 4.05Å; R273-V292 HydrophobicContact CG-CG1 4.13Å; R273-V292 HydrophobicContact CG-CG2 4.07Å; V276-V292 HydrophobicContact CB-CG2 4.25Å; V276-V292 HydrophobicContact CG1-CG2 3.9Å; F287-V292 HydrophobicContact CD2-CG2 4.4Å; F287-V292 HydrophobicContact CE2-CG2 3.29Å; F287-V292 HydrophobicContact CZ-CG2 3.58Å; S288-V292 PolarHBondContact O-N 3.02Å; E289-V292 CarbonylContact O-C 3.6Å; E289-V292 WeakPolarHBondContact O-CA 3.35Å; E289-V292 VanDerWaalsContact O-CB 3.32Å; E289-V292 WeakPolarHBondContact O-CB 3.39Å; E289-V292 PolarHBondContact O-N 3Å; D290-V292 VanDerWaalsContact C-N 3.31Å; D290-V292 PolarHBondContact O-N 3.49Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.29Å; V292-V295 PolarHBondContact O-N 3.06Å; V292-L296 HydrophobicContact CG1-CD1 3.74Å; V292-L296 HydrophobicContact CG1-CG 4.07Å; V292-L296 WeakPolarHBondContact O-CB 3.22Å; V292-L296 VanDerWaalsContact O-CG 3.25Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.42Å
293	E	97.5	Very high	96.7	Very high	116 Å²	116	62.9 Å²	62.9	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-57.6	-48.2	179.4	-70.4	-175.1	172.8	0	0	111.1	E289 D290 V295 L296 D297	E289-E293 PolarHBondContact O-N 3.36Å; D290-E293 PolarHBondContact O-N 2.97Å; E293-V295 PolarHBondContact O-N 3.45Å; E293-L296 PolarHBondContact O-N 2.9Å; E293-L296 VanDerWaalsContact O-N 3.16Å; E293-D297 PolarHBondContact O-N 3Å
294	F	97.6	Very high	96.5	Very high	36 Å²	36	68 Å²	68	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-54.7	-49.4	174.8	179.8	-91.9	0	0	0	112.5	D290 V292 L296 D297 E298 F323 Y324	D290-F294 WeakPolarHBondContact O-CB 3.48Å; D290-F294 PolarHBondContact O-N 2.9Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.29Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.04Å; F294-D297 PolarHBondContact O-N 3.37Å; F294-E298 HydrophobicContact CD1-CG 4.24Å; F294-E298 HydrophobicContact CE1-CG 3.89Å; F294-E298 HydrophobicContact CE2-CG 4.27Å; F294-E298 HydrophobicContact CZ-CG 3.91Å; F294-E298 WeakPolarHBondContact O-CB 3.44Å; F294-E298 WeakPolarHBondContact O-CG 3.39Å; F294-E298 PolarHBondContact O-N 3.19Å; F294-F323 AromaticContact CE1-CD1 3.93Å; F294-F323 HydrophobicContact CE1-CD1 3.93Å; F294-F323 AromaticContact CZ-CD1 3.48Å; F294-F323 HydrophobicContact CZ-CD1 3.48Å; F294-F323 VanDerWaalsContact CZ-CD1 3.48Å; F294-F323 AromaticContact CZ-CE1 3.83Å; F294-F323 HydrophobicContact CZ-CE1 3.83Å; F294-Y324 HydrophobicContact CB-CD2 3.83Å; F294-Y324 HydrophobicContact CB-CE2 4.36Å; F294-Y324 HydrophobicContact CD1-CD2 4.06Å; F294-Y324 HydrophobicContact CD1-CG 4.25Å; F294-Y324 HydrophobicContact CD2-CD2 4.09Å; F294-Y324 AromaticContact CG-CD2 3.72Å; F294-Y324 HydrophobicContact CG-CD2 3.72Å; F294-Y324 HydrophobicContact CG-CG 4.36Å
295	V	97.8	Very high	96.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-39.1	180	172.5	0	0	0	0	111.1	I272 V276 M291 V292 E293 D297 E298 L299 V317 K320 V321	I272-V295 HydrophobicContact CG2-CG1 4.18Å; V276-V295 HydrophobicContact CG2-CB 3.87Å; V276-V295 HydrophobicContact CG2-CG1 3.75Å; V276-V295 HydrophobicContact CG2-CG2 4Å; M291-V295 WeakPolarHBondContact O-CG2 3.37Å; M291-V295 PolarHBondContact O-N 2.81Å; M291-V295 VanDerWaalsContact O-N 3.11Å; V292-V295 PolarHBondContact O-N 3.06Å; E293-V295 PolarHBondContact O-N 3.45Å; V295-D297 VanDerWaalsContact C-N 3.31Å; V295-D297 PolarHBondContact O-N 3.45Å; V295-E298 PolarHBondContact O-N 3.39Å; V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 2.91Å; V295-V317 HydrophobicContact CG1-CG1 4.27Å; V295-V317 HydrophobicContact CG1-CG2 4.15Å; V295-K320 HydrophobicContact CG1-CB 4.35Å; V295-K320 HydrophobicContact CG2-CB 3.94Å; V295-V321 HydrophobicContact CG2-CG2 3.9Å
296	L	97.4	Very high	95.8	Very high	24 Å²	24	64.2 Å²	64.2	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-33.8	178.1	-68.8	176.6	0	0	0	112.1	P269 I272 V292 E293 F294 W301	P269-L296 HydrophobicContact CB-CD1 4.43Å; P269-L296 HydrophobicContact CB-CD2 4.02Å; I272-L296 HydrophobicContact CB-CD2 3.88Å; I272-L296 HydrophobicContact CG2-CD2 3.74Å; V292-L296 HydrophobicContact CG1-CD1 3.74Å; V292-L296 HydrophobicContact CG1-CG 4.07Å; V292-L296 WeakPolarHBondContact O-CB 3.22Å; V292-L296 VanDerWaalsContact O-CG 3.25Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.42Å; E293-L296 PolarHBondContact O-N 2.9Å; E293-L296 VanDerWaalsContact O-N 3.16Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.04Å; L296-W301 HydrophobicContact CB-CZ2 4.21Å; L296-W301 HydrophobicContact CD2-CH2 3.55Å; L296-W301 HydrophobicContact CD2-CZ2 3.46Å; L296-W301 VanDerWaalsContact CD2-CZ2 3.46Å; L296-W301 HydrophobicContact CG-CZ2 4.43Å; L296-W301 PolarHBondContact O-NE1 3.15Å
297	D	96.1	Very high	95.6	Very high	106 Å²	106	63.1 Å²	63.1	57%	0.567	34%	0.34	S	S	*	.	H	α-helix	trans	-73.8	-35.1	176.3	-73.4	-16.4	0	0	0	112.7	E293 F294 V295 L299 K307	E293-D297 PolarHBondContact O-N 3Å; F294-D297 PolarHBondContact O-N 3.37Å; V295-D297 VanDerWaalsContact C-N 3.31Å; V295-D297 PolarHBondContact O-N 3.45Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.32Å; D297-K307 IonicContact OD1-NZ 3.69Å; D297-K307 PolarHBondContact OD1-NZ 3.08Å
298	E	96.2	Very high	95.5	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-81.2	-7.3	-178	-78.9	-71.4	115.7	0	0	114.7	F294 V295 K320	F294-E298 HydrophobicContact CD1-CG 4.24Å; F294-E298 HydrophobicContact CE1-CG 3.89Å; F294-E298 HydrophobicContact CE2-CG 4.27Å; F294-E298 HydrophobicContact CZ-CG 3.91Å; F294-E298 WeakPolarHBondContact O-CB 3.44Å; F294-E298 WeakPolarHBondContact O-CG 3.39Å; F294-E298 PolarHBondContact O-N 3.19Å; V295-E298 PolarHBondContact O-N 3.39Å; E298-K320 HydrophobicContact CB-CD 3.84Å; E298-K320 HydrophobicContact CB-CG 4.42Å; E298-K320 HydrophobicContact CG-CD 4.42Å; E298-K320 IonicContact OE2-NZ 3.96Å; E298-K320 PolarHBondContact OE2-NZ 3.31Å
299	L	96.7	Very high	95.6	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.052	33%	0.328	C	S	.	.	S	Bend	trans	-93.7	150.1	178.1	-74.4	173.4	0	0	0	111.7	I272 V295 D297 W301 R316 V317	I272-L299 HydrophobicContact CG1-CD1 4.45Å; I272-L299 HydrophobicContact CG2-CD1 3.68Å; V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.44Å; V295-L299 PolarHBondContact O-N 2.91Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 3.32Å; L299-W301 HydrophobicContact CB-CZ2 4.3Å; L299-W301 HydrophobicContact CD1-CZ2 4.5Å; L299-W301 PolarHBondContact O-NE1 3.24Å; L299-W301 VanDerWaalsContact O-NE1 3.16Å; L299-R316 HydrophobicContact CD2-CB 4.07Å; L299-V317 HydrophobicContact CD1-CG2 4.25Å
300	E	96.4	Very high	95.6	Very high	129 Å²	129	57.9 Å²	57.9	60%	0.603	31%	0.312	S	S	*	.			trans	-85.8	141.9	170.9	-168	-174.3	168.3	0	0	110.5	V311	E300-V311 HydrophobicContact CB-CB 4.22Å; E300-V311 HydrophobicContact CB-CG2 4.21Å; E300-V311 HydrophobicContact CG-CB 4.32Å; E300-V311 HydrophobicContact CG-CG2 3.87Å; E300-V311 PolarHBondContact O-N 2.88Å
301	W	96.8	Very high	95.6	Very high	25 Å²	25	55.1 Å²	55.1	10%	0.095	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.5	-173.3	-60.9	90.9	0	0	0	112.4	P269 I272 L296 L299 S306 K307 F309	P269-W301 HydrophobicContact CB-CH2 4.17Å; P269-W301 HydrophobicContact CG-CH2 3.8Å; P269-W301 HydrophobicContact CG-CZ3 3.72Å; I272-W301 HydrophobicContact CG1-CH2 3.93Å; L296-W301 HydrophobicContact CB-CZ2 4.21Å; L296-W301 HydrophobicContact CD2-CH2 3.55Å; L296-W301 HydrophobicContact CD2-CZ2 3.46Å; L296-W301 VanDerWaalsContact CD2-CZ2 3.46Å; L296-W301 HydrophobicContact CG-CZ2 4.43Å; L296-W301 PolarHBondContact O-NE1 3.15Å; L299-W301 HydrophobicContact CB-CZ2 4.3Å; L299-W301 HydrophobicContact CD1-CZ2 4.5Å; L299-W301 PolarHBondContact O-NE1 3.24Å; L299-W301 VanDerWaalsContact O-NE1 3.16Å; W301-S306 WeakPolarHBondContact CB-O 3.28Å; W301-K307 HydrophobicContact CD2-CB 4.03Å; W301-K307 HydrophobicContact CD2-CG 4.16Å; W301-K307 HydrophobicContact CE3-CB 4.25Å; W301-K307 HydrophobicContact CG-CB 4.34Å; W301-K307 HydrophobicContact CG-CG 4.14Å; W301-F309 CarbonylContact C-O 3.58Å; W301-F309 VanDerWaalsContact CA-O 3.26Å; W301-F309 WeakPolarHBondContact CA-O 3.29Å
302	S	95	Very high	95.5	Very high	49 Å²	49	55.9 Å²	55.9	34%	0.343	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.2	175.6	-173.2	0	0	0	0	110.3	F309	S302-F309 PolarHBondContact N-O 2.85Å; S302-F309 PolarHBondContact O-N 2.98Å
303	P	94	Very high	95.5	Very high	49 Å²	49	55.8 Å²	55.8	32%	0.318	30%	0.304	S	S	.	.	S	Bend	cis	-59.5	153.4	-7.1	-21.5	32.5	0	0	0	113.4	Y215 S306	Y215-P303 HydrophobicContact CD2-CG 4.41Å; Y215-P303 HydrophobicContact CE2-CG 3.8Å; P303-S306 WeakPolarHBondContact CD-OG 3.29Å; P303-S306 WeakPolarHBondContact O-CB 3.43Å; P303-S306 PolarHBondContact O-N 3.09Å; P303-S306 VanDerWaalsContact O-N 3.09Å; P303-S306 PolarHBondContact O-OG 2.96Å
304	E	90.2	Very high	95.5	Very high	192 Å²	192	51.6 Å²	51.6	90%	0.897	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	140.5	179.6	-168.9	177.1	-175.4	0	0	110.9	S306	E304-S306 PolarHBondContact O-N 3.19Å
305	G	88.1	Confident	95.5	Very high	88 Å²	88	56.5 Å²	56.5	91%	0.907	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-0.3	-176.1	0	0	0	0	0	115.2
306	S	90.6	Very high	95.4	Very high	38 Å²	38	61.4 Å²	61.4	27%	0.266	33%	0.327	S	S	.	.	S	Bend	trans	-112.7	158.9	170.5	79.8	0	0	0	0	110.7	W301 P303 E304 F308	W301-S306 WeakPolarHBondContact CB-O 3.28Å; P303-S306 WeakPolarHBondContact CD-OG 3.29Å; P303-S306 WeakPolarHBondContact O-CB 3.43Å; P303-S306 PolarHBondContact O-N 3.09Å; P303-S306 VanDerWaalsContact O-N 3.09Å; P303-S306 PolarHBondContact O-OG 2.96Å; E304-S306 PolarHBondContact O-N 3.19Å; S306-F308 WeakPolarHBondContact OG-CB 3.47Å; S306-F308 PolarHBondContact OG-N 2.88Å
307	K	93.1	Very high	95.5	Very high	104 Å²	104	60.4 Å²	60.4	45%	0.452	32%	0.321	S	S	.	.			trans	-101.8	49.8	165.7	-68.9	-174.6	177.4	175.6	0	111	P269 D297 W301	P269-K307 WeakPolarHBondContact CD-O 3.44Å; P269-K307 HydrophobicContact CG-CB 4.4Å; P269-K307 WeakPolarHBondContact CG-O 3.48Å; D297-K307 IonicContact OD1-NZ 3.69Å; D297-K307 PolarHBondContact OD1-NZ 3.08Å; W301-K307 HydrophobicContact CD2-CB 4.03Å; W301-K307 HydrophobicContact CD2-CG 4.16Å; W301-K307 HydrophobicContact CE3-CB 4.25Å; W301-K307 HydrophobicContact CG-CB 4.34Å; W301-K307 HydrophobicContact CG-CG 4.14Å
308	F	96.1	Very high	95.5	Very high	58 Å²	58	60.4 Å²	60.4	25%	0.254	31%	0.314	S	S	.	.	S	Bend	trans	-84.2	-61.5	-173.3	-149.1	-78.1	0	0	0	112.2	Y215 L218 V219 Q268 P269 S306	Y215-F308 HydrophobicContact CD2-CD1 4.06Å; Y215-F308 HydrophobicContact CD2-CE1 4.01Å; Y215-F308 HydrophobicContact CD2-CG 4.44Å; Y215-F308 HydrophobicContact CD2-CZ 4.34Å; Y215-F308 HydrophobicContact CE2-CD1 4.43Å; Y215-F308 HydrophobicContact CE2-CD2 4.36Å; Y215-F308 HydrophobicContact CE2-CE1 4.47Å; Y215-F308 HydrophobicContact CE2-CE2 4.4Å; Y215-F308 HydrophobicContact CE2-CG 4.38Å; Y215-F308 HydrophobicContact CE2-CZ 4.45Å; L218-F308 HydrophobicContact CB-CE1 4.02Å; L218-F308 HydrophobicContact CB-CZ 3.84Å; L218-F308 HydrophobicContact CD1-CE1 3.79Å; L218-F308 HydrophobicContact CD1-CZ 4.36Å; V219-F308 HydrophobicContact CG2-CE2 4.36Å; V219-F308 HydrophobicContact CG2-CZ 4.19Å; Q268-F308 WeakPolarHBondContact CA-O 3.36Å; P269-F308 WeakPolarHBondContact CD-O 3.27Å; S306-F308 WeakPolarHBondContact OG-CB 3.47Å; S306-F308 PolarHBondContact OG-N 2.88Å
309	F	98	Very high	95.5	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	176	-61.9	-41.8	0	0	0	112.3	T214 Y215 L218 P266 L267 Q268 W301 S302 V311	T214-F309 HydrophobicContact CG2-CE1 4.27Å; T214-F309 HydrophobicContact CG2-CZ 3.75Å; Y215-F309 HydrophobicContact CD2-CE2 4.33Å; L218-F309 HydrophobicContact CD1-CE1 3.72Å; L218-F309 HydrophobicContact CD1-CZ 3.75Å; P266-F309 HydrophobicContact CB-CB 3.91Å; P266-F309 HydrophobicContact CB-CD1 3.92Å; P266-F309 HydrophobicContact CB-CD2 3.87Å; P266-F309 HydrophobicContact CB-CE1 4.39Å; P266-F309 HydrophobicContact CB-CE2 4.32Å; P266-F309 HydrophobicContact CB-CG 3.64Å; P266-F309 HydrophobicContact CG-CD1 3.89Å; P266-F309 HydrophobicContact CG-CD2 3.66Å; P266-F309 HydrophobicContact CG-CE1 3.86Å; P266-F309 HydrophobicContact CG-CE2 3.59Å; P266-F309 HydrophobicContact CG-CG 3.8Å; P266-F309 HydrophobicContact CG-CZ 3.71Å; L267-F309 CarbonylContact O-C 3.54Å; L267-F309 VanDerWaalsContact O-CA 3.32Å; L267-F309 WeakPolarHBondContact O-CA 3.21Å; Q268-F309 HydrophobicContact CG-CD1 3.76Å; Q268-F309 HydrophobicContact CG-CE1 3.65Å; W301-F309 CarbonylContact C-O 3.58Å; W301-F309 VanDerWaalsContact CA-O 3.26Å; W301-F309 WeakPolarHBondContact CA-O 3.29Å; S302-F309 PolarHBondContact N-O 2.85Å; S302-F309 PolarHBondContact O-N 2.98Å; F309-V311 PolarHBondContact O-N 3.42Å
310	S	97.7	Very high	95.5	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.3	173.1	-179.2	0	0	0	0	110.5	L267 S312 G313	L267-S310 PolarHBondContact O-N 3.37Å; S310-S312 VanDerWaalsContact C-N 3.3Å; S310-S312 PolarHBondContact O-N 2.95Å; S310-G313 PolarHBondContact O-N 2.72Å; S310-G313 PolarHBondContact OG-N 2.9Å; S310-G313 PolarHBondContact OG-O 3.37Å
311	V	96.2	Very high	95.6	Very high	45 Å²	45	57.5 Å²	57.5	27%	0.273	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-39.5	177.5	174	0	0	0	0	111.2	E300 F309	E300-V311 HydrophobicContact CB-CB 4.22Å; E300-V311 HydrophobicContact CB-CG2 4.21Å; E300-V311 HydrophobicContact CG-CB 4.32Å; E300-V311 HydrophobicContact CG-CG2 3.87Å; E300-V311 PolarHBondContact O-N 2.88Å; F309-V311 PolarHBondContact O-N 3.42Å
312	S	96.6	Very high	95.6	Very high	16 Å²	16	56.8 Å²	56.8	11%	0.112	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.5	-178.1	71.4	0	0	0	0	114.5	T100 G101 S310 C314 K315	T100-S312 CarbonylContact O-C 3.5Å; G101-S312 WeakPolarHBondContact CA-O 3.44Å; S310-S312 VanDerWaalsContact C-N 3.3Å; S310-S312 PolarHBondContact O-N 2.95Å; S312-C314 PolarHBondContact O-N 2.91Å; S312-K315 VanDerWaalsContact O-CB 3.23Å; S312-K315 WeakPolarHBondContact O-CB 3.31Å; S312-K315 PolarHBondContact O-N 2.92Å; S312-K315 VanDerWaalsContact O-N 3.1Å
313	G	97.6	Very high	95.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-133.4	-169.2	0	0	0	0	0	111.6	S310	S310-G313 PolarHBondContact O-N 2.72Å; S310-G313 PolarHBondContact OG-N 2.9Å; S310-G313 PolarHBondContact OG-O 3.37Å
314	C	98.2	Very high	95.8	Very high	28 Å²	28	58.4 Å²	58.4	19%	0.189	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.8	178.3	-63.6	0	0	0	0	114.5	G101 L267 C275 S312 R316 V317	G101-C314 PolarHBondContact O-N 2.89Å; L267-C314 HydrophobicContact CD1-CB 4.38Å; L267-C314 WeakPolarHBondContact CD1-SG 3.45Å; C275-C314 HydrophobicContact CB-CB 3.68Å; C275-C314 WeakPolarHBondContact CB-SG 2.9Å; C275-C314 WeakPolarHBondContact SG-CB 3.47Å; C275-C314 CovalentContact SG-SG 2.02Å; C275-C314 PolarHBondContact SG-SG 3.48Å; S312-C314 PolarHBondContact O-N 2.91Å; C314-R316 VanDerWaalsContact C-N 3.28Å; C314-R316 PolarHBondContact O-N 3.27Å; C314-V317 HydrophobicContact CB-CG2 4.22Å; C314-V317 PolarHBondContact O-N 3.4Å
315	K	96.7	Very high	96.1	Very high	138 Å²	138	51.1 Å²	51.1	60%	0.6	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-38	-172	-170.8	170.5	-177.8	174.3	0	113.1	S312	S312-K315 VanDerWaalsContact O-CB 3.23Å; S312-K315 WeakPolarHBondContact O-CB 3.31Å; S312-K315 PolarHBondContact O-N 2.92Å; S312-K315 VanDerWaalsContact O-N 3.1Å
316	R	96.8	Very high	96.4	Very high	104 Å²	104	54.5 Å²	54.5	39%	0.392	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.8	-176.8	-58.1	-175.4	71.4	-170	1.8	113.9	L299 C314 Y318 E319 K320	L299-R316 HydrophobicContact CD2-CB 4.07Å; C314-R316 VanDerWaalsContact C-N 3.28Å; C314-R316 PolarHBondContact O-N 3.27Å; R316-Y318 PolarHBondContact O-N 3.5Å; R316-E319 PolarHBondContact O-N 3.49Å; R316-K320 WeakPolarHBondContact O-CG 2.87Å; R316-K320 PolarHBondContact O-N 3.32Å
317	V	97.7	Very high	96.3	Very high	3 Å²	3	58 Å²	58	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-44	-170.8	170.7	0	0	0	0	111.8	I272 C275 V276 A279 V295 L299 C314 E319 K320 V321	I272-V317 HydrophobicContact CG2-CG2 4.05Å; C275-V317 HydrophobicContact CB-CB 4.45Å; C275-V317 HydrophobicContact CB-CG1 4.09Å; C275-V317 HydrophobicContact CB-CG2 4.35Å; V276-V317 HydrophobicContact CB-CG1 4.41Å; V276-V317 HydrophobicContact CG2-CG1 3.68Å; A279-V317 HydrophobicContact CB-CG1 4.37Å; V295-V317 HydrophobicContact CG1-CG1 4.27Å; V295-V317 HydrophobicContact CG1-CG2 4.15Å; L299-V317 HydrophobicContact CD1-CG2 4.25Å; C314-V317 HydrophobicContact CB-CG2 4.22Å; C314-V317 PolarHBondContact O-N 3.4Å; V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 2.9Å; V317-K320 PolarHBondContact O-N 3.33Å; V317-V321 HydrophobicContact CG1-CG2 4.34Å; V317-V321 WeakPolarHBondContact O-CG2 3.47Å; V317-V321 PolarHBondContact O-N 2.8Å
318	Y	96.7	Very high	95.6	Very high	106 Å²	106	61 Å²	61	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-35.4	-178.4	-175	-95.6	0	0	0	113.6	A279 R282 R283 R316 G322	A279-Y318 HydrophobicContact CB-CD2 4.01Å; R282-Y318 HydrophobicContact CB-CE2 4.2Å; R283-Y318 HydrophobicContact CG-CE2 3.72Å; R283-Y318 PolarHBondContact NE-O 3.42Å; R283-Y318 PolarHBondContact NH2-O 3.42Å; R283-Y318 VanDerWaalsContact NH2-O 3.13Å; R316-Y318 PolarHBondContact O-N 3.5Å; Y318-G322 PolarHBondContact O-N 3.31Å
319	E	96.7	Very high	95.5	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-72.8	-43.7	176.2	-64.8	169.5	173.7	0	0	110.7	R316 V317 G322 F323	R316-E319 PolarHBondContact O-N 3.49Å; V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 2.9Å; E319-G322 CarbonylContact O-C 3.51Å; E319-G322 WeakPolarHBondContact O-CA 3.47Å; E319-G322 PolarHBondContact O-N 3Å; E319-F323 PolarHBondContact O-N 2.81Å
320	K	97.4	Very high	95.4	Very high	26 Å²	26	64.1 Å²	64.1	11%	0.113	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-39.9	178	-66.1	-61.1	-168.5	171.9	0	112.6	V295 E298 R316 V317 G322 F323 Y324	V295-K320 HydrophobicContact CG1-CB 4.35Å; V295-K320 HydrophobicContact CG2-CB 3.94Å; E298-K320 HydrophobicContact CB-CD 3.84Å; E298-K320 HydrophobicContact CB-CG 4.42Å; E298-K320 HydrophobicContact CG-CD 4.42Å; E298-K320 IonicContact OE2-NZ 3.96Å; E298-K320 PolarHBondContact OE2-NZ 3.31Å; R316-K320 WeakPolarHBondContact O-CG 2.87Å; R316-K320 PolarHBondContact O-N 3.32Å; V317-K320 PolarHBondContact O-N 3.33Å; K320-G322 VanDerWaalsContact C-N 3.3Å; K320-G322 PolarHBondContact O-N 3.46Å; K320-F323 PolarHBondContact O-N 2.86Å; K320-Y324 PolarHBondContact O-N 2.84Å
321	V	97.5	Very high	95.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-42.3	170.1	170.6	0	0	0	0	110.7	V276 A279 M291 V295 V317 F323 Y324 L325	V276-V321 HydrophobicContact CG1-CG2 4.02Å; V276-V321 HydrophobicContact CG2-CG2 4.43Å; A279-V321 HydrophobicContact CB-CB 4.34Å; A279-V321 HydrophobicContact CB-CG2 3.99Å; M291-V321 HydrophobicContact CE-CG1 4.33Å; M291-V321 HydrophobicContact CG-CG1 4.45Å; M291-V321 HydrophobicContact CG-CG2 4.2Å; M291-V321 HydrophobicContact SD-CB 4.4Å; M291-V321 HydrophobicContact SD-CG1 3.64Å; M291-V321 HydrophobicContact SD-CG2 3.99Å; V295-V321 HydrophobicContact CG2-CG2 3.9Å; V317-V321 HydrophobicContact CG1-CG2 4.34Å; V317-V321 WeakPolarHBondContact O-CG2 3.47Å; V317-V321 PolarHBondContact O-N 2.8Å; V321-F323 VanDerWaalsContact C-N 3.31Å; V321-F323 PolarHBondContact O-N 3.11Å; V321-Y324 PolarHBondContact O-N 2.97Å; V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.29Å; V321-L325 PolarHBondContact O-N 3.43Å
322	G	96.7	Very high	95.2	Very high	10 Å²	10	68.8 Å²	68.8	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-41.7	174.6	0	0	0	0	0	112.9	R283 Y318 E319 K320 L325 Q326	R283-G322 VanDerWaalsContact CZ-CA 3.44Å; Y318-G322 PolarHBondContact O-N 3.31Å; E319-G322 CarbonylContact O-C 3.51Å; E319-G322 WeakPolarHBondContact O-CA 3.47Å; E319-G322 PolarHBondContact O-N 3Å; K320-G322 VanDerWaalsContact C-N 3.3Å; K320-G322 PolarHBondContact O-N 3.46Å; G322-L325 PolarHBondContact O-N 3.42Å; G322-Q326 PolarHBondContact O-N 3.39Å
323	F	96.8	Very high	95.2	Very high	104 Å²	104	72.1 Å²	72.1	46%	0.456	33%	0.334	S	S	.	.	H	α-helix	trans	-67.7	-43.4	179.2	-176.4	-123.3	0	0	0	112.4	F294 E319 K320 V321 L325 Q326	F294-F323 AromaticContact CE1-CD1 3.93Å; F294-F323 HydrophobicContact CE1-CD1 3.93Å; F294-F323 AromaticContact CZ-CD1 3.48Å; F294-F323 HydrophobicContact CZ-CD1 3.48Å; F294-F323 VanDerWaalsContact CZ-CD1 3.48Å; F294-F323 AromaticContact CZ-CE1 3.83Å; F294-F323 HydrophobicContact CZ-CE1 3.83Å; E319-F323 PolarHBondContact O-N 2.81Å; K320-F323 PolarHBondContact O-N 2.86Å; V321-F323 VanDerWaalsContact C-N 3.31Å; V321-F323 PolarHBondContact O-N 3.11Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 3.47Å; F323-Q326 PolarHBondContact O-N 3.36Å
324	Y	97	Very high	95	Very high	28 Å²	28	76.9 Å²	76.9	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-52.9	-46.9	173	172.2	-103.5	0	0	0	111.9	D290 M291 F294 K320 V321 Q326 Q327 L328	D290-Y324 WeakPolarHBondContact CB-OH 3.33Å; M291-Y324 HydrophobicContact CB-CD1 3.92Å; M291-Y324 HydrophobicContact CB-CE1 3.71Å; M291-Y324 HydrophobicContact CE-CD1 4.03Å; M291-Y324 HydrophobicContact CE-CE1 4.02Å; M291-Y324 HydrophobicContact CG-CD1 3.78Å; M291-Y324 HydrophobicContact CG-CE1 4.07Å; M291-Y324 HydrophobicContact CG-CG 4.33Å; F294-Y324 HydrophobicContact CB-CD2 3.83Å; F294-Y324 HydrophobicContact CB-CE2 4.36Å; F294-Y324 HydrophobicContact CD1-CD2 4.06Å; F294-Y324 HydrophobicContact CD1-CG 4.25Å; F294-Y324 HydrophobicContact CD2-CD2 4.09Å; F294-Y324 AromaticContact CG-CD2 3.72Å; F294-Y324 HydrophobicContact CG-CD2 3.72Å; F294-Y324 HydrophobicContact CG-CG 4.36Å; K320-Y324 PolarHBondContact O-N 2.84Å; V321-Y324 PolarHBondContact O-N 2.97Å; Y324-Q326 PolarHBondContact O-N 2.79Å; Y324-Q326 VanDerWaalsContact O-N 3.15Å; Y324-Q327 PolarHBondContact O-N 3.28Å; Y324-L328 HydrophobicContact CD1-CD1 4.38Å; Y324-L328 HydrophobicContact CE1-CD1 3.79Å; Y324-L328 HydrophobicContact CE1-CG 4.34Å
325	L	96.2	Very high	94.8	Very high	39 Å²	39	80.4 Å²	80.4	20%	0.204	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	-179.2	-65.2	168.7	0	0	0	114	V285 M291 V321 G322 F323 L328	V285-L325 HydrophobicContact CB-CD2 4.46Å; V285-L325 HydrophobicContact CG1-CD1 3.98Å; V285-L325 HydrophobicContact CG1-CD2 4.32Å; V285-L325 HydrophobicContact CG2-CD1 4.11Å; V285-L325 HydrophobicContact CG2-CD2 4.38Å; M291-L325 HydrophobicContact CE-CD2 4.17Å; V321-L325 HydrophobicContact CG1-CD1 4.25Å; V321-L325 VanDerWaalsContact O-CG 3.29Å; V321-L325 WeakPolarHBondContact O-CG 3.29Å; V321-L325 PolarHBondContact O-N 3.43Å; G322-L325 PolarHBondContact O-N 3.42Å; F323-L325 VanDerWaalsContact C-N 3.29Å; F323-L325 PolarHBondContact O-N 3.47Å; L325-L328 HydrophobicContact CD2-CD1 4.25Å
326	Q	93.8	Very high	94.6	Very high	159 Å²	159	75.9 Å²	75.9	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.6	174.7	-63.4	-58.3	-73.9	0	0	113	G322 F323 Y324	G322-Q326 PolarHBondContact O-N 3.39Å; F323-Q326 PolarHBondContact O-N 3.36Å; Y324-Q326 PolarHBondContact O-N 2.79Å; Y324-Q326 VanDerWaalsContact O-N 3.15Å
327	Q	88.2	Confident	94.4	Very high	112 Å²	112	73.6 Å²	73.6	52%	0.523	35%	0.347	S	S	.	.			trans	-97.2	-9.8	178.3	-61.4	-175.5	6.6	0	0	113.2	Y324	Y324-Q327 PolarHBondContact O-N 3.28Å
328	L	78.8	Confident	94.1	Very high	166 Å²	166	80 Å²	80	87%	0.869	38%	0.377	S	S	*	.			trans	-81	0	175.1	-64.5	177.3	0	0	0	111.3	Y324 L325	Y324-L328 HydrophobicContact CD1-CD1 4.38Å; Y324-L328 HydrophobicContact CE1-CD1 3.79Å; Y324-L328 HydrophobicContact CE1-CG 4.34Å; L325-L328 HydrophobicContact CD2-CD1 4.25Å

Retrieved 328 of 328 residues in 226.5 ms (Link to these results)

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