A0A3Q0KCP5_SCHMA Loading...

Putative notum AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KCP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 727 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	34.6	Very low	238 Å²	238	175.9 Å²	175.9	100%	1.172	84%	0.839	S	S	*	*				0	154.8	0	-104.1	175.9	139.8	0	0	109.1
2	N	35.3	Very low	34.9	Very low	148 Å²	148	170.3 Å²	170.3	79%	0.791	82%	0.816	S	S	*	*			trans	91.3	74.8	180	-58.7	-3.8	0	0	0	114.2
3	K	30	Very low	35.2	Very low	172 Å²	172	172.5 Å²	172.5	75%	0.748	81%	0.813	S	S	*	*				67.9	124	78.3	-87.7	-172	161.9	-141.8	0	114.8
4	E	33.5	Very low	35.6	Very low	144 Å²	144	170.6 Å²	170.6	67%	0.673	80%	0.804	S	S	*	*			trans	75.3	97.8	140	-69.9	165.9	-161.1	0	0	118.5
5	N	39.9	Very low	36.2	Very low	173 Å²	173	163.7 Å²	163.7	93%	0.925	78%	0.781	S	S	*	*				-161.4	76.8	123.3	-96.8	-29.7	0	0	0	109.9
6	K	32.1	Very low	36.5	Very low	195 Å²	195	164.3 Å²	164.3	85%	0.848	78%	0.775	S	S	*	*			trans	-87.2	125.2	161.9	-82.5	-179.3	173.7	179.6	0	107.5
7	N	34.6	Very low	37.2	Very low	154 Å²	154	158.7 Å²	158.7	82%	0.824	76%	0.758	S	S	*	*	S	Bend	trans	141.2	47.6	154.1	-71.2	-4.4	0	0	0	115.2
8	K	33.8	Very low	37.9	Very low	205 Å²	205	155.6 Å²	155.6	89%	0.891	75%	0.745	S	S	*	*	S	Bend	trans	-140.4	15.2	163.4	-103.2	-176.2	-175	178.5	0	115.8
9	K	34.4	Very low	38.6	Very low	172 Å²	172	150.8 Å²	150.8	75%	0.748	73%	0.73	S	S	*	*			trans	-102.9	-6.1	-175.8	-90.2	-172.9	175.2	-178.9	0	116.9	F11	K9-F11 VanDerWaalsContact C-N 3.34Å; K9-F11 PolarHBondContact O-N 3.46Å
10	D	37.3	Very low	39.3	Very low	144 Å²	144	147.5 Å²	147.5	77%	0.77	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-6.9	-176.4	-65	-20.8	0	0	0	114.7
11	F	36.6	Very low	39.9	Very low	190 Å²	190	147.3 Å²	147.3	83%	0.833	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-8	175.3	-110.3	-83	0	0	0	114.9	K9	K9-F11 VanDerWaalsContact C-N 3.34Å; K9-F11 PolarHBondContact O-N 3.46Å
12	L	38.4	Very low	41	Very low	109 Å²	109	140.4 Å²	140.4	57%	0.571	68%	0.684	S	S	*	*	S	Bend	trans	-94	-18.4	-178	-88.9	155.7	0	0	0	113.7	S15	L12-S15 PolarHBondContact O-OG 3.39Å
13	Y	38	Very low	42	Very low	199 Å²	199	137 Å²	137	78%	0.78	67%	0.668	S	S	*	*	H	α-helix	trans	-75.5	-28.6	-176.7	-105.5	-86.5	0	0	0	114.1
14	E	40.7	Very low	43.3	Very low	146 Å²	146	136.3 Å²	136.3	68%	0.682	67%	0.666	S	S	*	*	H	α-helix	trans	-74.3	-25.6	176.6	-77.6	-171.8	154.6	0	0	113.4
15	S	45.2	Very low	44.3	Very low	66 Å²	66	134.6 Å²	134.6	46%	0.462	66%	0.661	S	S	.	*	H	α-helix	trans	-74.1	-27	179.2	70.4	0	0	0	0	113.5	L12	L12-S15 PolarHBondContact O-OG 3.39Å
16	Y	41.1	Very low	45.1	Very low	174 Å²	174	130.8 Å²	130.8	68%	0.682	64%	0.639	S	S	*	*	H	α-helix	trans	-80	-31.4	-177.7	-106.2	-89.2	0	0	0	113.3	T20	Y16-T20 PolarHBondContact O-N 3.46Å; Y16-T20 PolarHBondContact O-OG1 3.43Å
17	S	47.8	Very low	46.3	Very low	69 Å²	69	129.2 Å²	129.2	48%	0.483	63%	0.632	S	S	.	*	H	α-helix	trans	-71.6	-35.4	-178.7	79	0	0	0	0	112.8	S19 T20 E21	S17-S19 VanDerWaalsContact C-N 3.34Å; S17-S19 PolarHBondContact O-N 3.07Å; S17-T20 PolarHBondContact O-N 3.24Å; S17-T20 PolarHBondContact O-OG1 3.16Å; S17-E21 PolarHBondContact O-N 2.95Å
18	I	50.6	Low	47.7	Very low	102 Å²	102	129.3 Å²	129.3	52%	0.523	62%	0.622	S	S	.	*	H	α-helix	trans	-69.5	-34.2	179.4	-61.8	169.5	0	0	0	111.2	I22	I18-I22 HydrophobicContact CG2-CD1 3.92Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.5Å
19	S	51.3	Low	49.2	Very low	65 Å²	65	124.3 Å²	124.3	46%	0.455	60%	0.604	S	S	.	*	H	α-helix	trans	-63.1	-40.4	175.8	174.7	0	0	0	0	112.4	S17 T23	S17-S19 VanDerWaalsContact C-N 3.34Å; S17-S19 PolarHBondContact O-N 3.07Å; S19-T23 PolarHBondContact O-N 3.36Å; S19-T23 PolarHBondContact O-OG1 3.49Å
20	T	51.1	Low	50.8	Low	84 Å²	84	120.5 Å²	120.5	52%	0.515	59%	0.591	S	S	.	*	H	α-helix	trans	-71.6	-36.3	-179.3	41.9	0	0	0	0	113.5	Y16 S17 T23 F24	Y16-T20 PolarHBondContact O-N 3.46Å; Y16-T20 PolarHBondContact O-OG1 3.43Å; S17-T20 PolarHBondContact O-N 3.24Å; S17-T20 PolarHBondContact O-OG1 3.16Å; T20-T23 WeakPolarHBondContact CA-OG1 3.4Å; T20-T23 PolarHBondContact O-OG1 3.24Å; T20-F24 PolarHBondContact O-N 3.3Å
21	E	52.6	Low	52.4	Low	144 Å²	144	116 Å²	116	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-69.9	-40.3	178	-74.7	-163.1	160.8	0	0	112.7	S17 F24 L25	S17-E21 PolarHBondContact O-N 2.95Å; E21-F24 PolarHBondContact O-N 3.27Å; E21-L25 PolarHBondContact O-N 3.24Å
22	I	57.1	Low	54.2	Low	94 Å²	94	111.3 Å²	111.3	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-67	-39.7	-179.9	-66.1	171.5	0	0	0	111	I18 F24 L25 I26	I18-I22 HydrophobicContact CG2-CD1 3.92Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.5Å; I22-F24 VanDerWaalsContact C-N 3.35Å; I22-L25 PolarHBondContact O-N 2.91Å; I22-I26 HydrophobicContact CG2-CD1 3.8Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.42Å; I22-I26 PolarHBondContact O-N 3.49Å
23	T	56.6	Low	56	Low	76 Å²	76	115 Å²	115	47%	0.466	56%	0.56	S	S	.	*	H	α-helix	trans	-67.4	-34.8	177	43.9	0	0	0	0	112.4	S19 T20 K27	S19-T23 PolarHBondContact O-N 3.36Å; S19-T23 PolarHBondContact O-OG1 3.49Å; T20-T23 WeakPolarHBondContact CA-OG1 3.4Å; T20-T23 PolarHBondContact O-OG1 3.24Å; T23-K27 PolarHBondContact O-N 3.33Å; T23-K27 VanDerWaalsContact O-N 3.08Å
24	F	56.2	Low	57.9	Low	158 Å²	158	111.6 Å²	111.6	69%	0.693	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-43.5	174	-160.6	-92.3	0	0	0	111.9	T20 E21 I22 K27 Y28	T20-F24 PolarHBondContact O-N 3.3Å; E21-F24 PolarHBondContact O-N 3.27Å; I22-F24 VanDerWaalsContact C-N 3.35Å; F24-K27 PolarHBondContact O-N 3.5Å; F24-Y28 WeakPolarHBondContact O-CB 3.43Å; F24-Y28 PolarHBondContact O-N 3.43Å
25	L	54.3	Low	59.6	Low	108 Å²	108	112.4 Å²	112.4	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-41	177.3	-113.7	139.2	0	0	0	112.8	E21 I22 Y28 I29	E21-L25 PolarHBondContact O-N 3.24Å; I22-L25 PolarHBondContact O-N 2.91Å; L25-Y28 PolarHBondContact O-N 3.46Å; L25-I29 HydrophobicContact CD2-CD1 4.3Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.24Å
26	I	58.1	Low	61.2	Low	92 Å²	92	113.5 Å²	113.5	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-67.3	-42.9	177.3	-67.6	168.2	0	0	0	111	I22 Y28 I29 I30	I22-I26 HydrophobicContact CG2-CD1 3.8Å; I22-I26 HydrophobicContact CG2-CG1 4.49Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.42Å; I22-I26 PolarHBondContact O-N 3.49Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.13Å; I26-I29 PolarHBondContact O-N 2.99Å; I26-I30 HydrophobicContact CG2-CD1 3.83Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 2.86Å
27	K	55.7	Low	63.2	Low	162 Å²	162	110.4 Å²	110.4	70%	0.704	54%	0.544	S	S	*	.	H	α-helix	trans	-61.5	-40.8	174.8	-82.4	-176.4	175.9	179.2	0	112	T23 F24 I30 S31	T23-K27 PolarHBondContact O-N 3.33Å; T23-K27 VanDerWaalsContact O-N 3.08Å; F24-K27 PolarHBondContact O-N 3.5Å; K27-I30 PolarHBondContact O-N 3.15Å; K27-S31 WeakPolarHBondContact O-CB 3.2Å; K27-S31 PolarHBondContact O-N 3.32Å
28	Y	65.6	Low	64.7	Low	157 Å²	157	111.9 Å²	111.9	62%	0.616	55%	0.546	S	S	*	.	H	α-helix	trans	-63.9	-42.5	177.7	-171	-99.8	0	0	0	112.4	F24 L25 I26 S31 L32	F24-Y28 WeakPolarHBondContact O-CB 3.43Å; F24-Y28 PolarHBondContact O-N 3.43Å; L25-Y28 PolarHBondContact O-N 3.46Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.13Å; Y28-S31 PolarHBondContact O-N 3.3Å; Y28-L32 PolarHBondContact O-N 2.97Å
29	I	63.6	Low	66.2	Low	100 Å²	100	114.3 Å²	114.3	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-66.7	-39.3	178.2	-67.7	166.5	0	0	0	111.8	L25 I26 R33	L25-I29 HydrophobicContact CD2-CD1 4.3Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.24Å; I26-I29 PolarHBondContact O-N 2.99Å; I29-R33 PolarHBondContact O-N 3.22Å; I29-R33 VanDerWaalsContact O-N 3.16Å
30	I	68.7	Low	67.7	Low	91 Å²	91	118.2 Å²	118.2	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-66.4	-43.2	177	-66.9	168.1	0	0	0	110.5	I26 K27 R33 Q34	I26-I30 HydrophobicContact CG2-CD1 3.83Å; I26-I30 WeakPolarHBondContact O-CG1 3.48Å; I26-I30 PolarHBondContact O-N 2.86Å; K27-I30 PolarHBondContact O-N 3.15Å; I30-R33 PolarHBondContact O-N 3.13Å; I30-Q34 WeakPolarHBondContact O-CG 3.33Å; I30-Q34 PolarHBondContact O-N 3.3Å
31	S	71.6	Confident	69.2	Low	49 Å²	49	118.9 Å²	118.9	34%	0.343	56%	0.555	S	S	.	*	H	α-helix	trans	-59.7	-47.2	175.9	-178.7	0	0	0	0	111.6	K27 Y28 R33 Q34 Y35	K27-S31 WeakPolarHBondContact O-CB 3.2Å; K27-S31 PolarHBondContact O-N 3.32Å; Y28-S31 PolarHBondContact O-N 3.3Å; S31-R33 VanDerWaalsContact C-N 3.3Å; S31-R33 PolarHBondContact O-N 3.04Å; S31-Q34 PolarHBondContact O-N 3.23Å; S31-Q34 VanDerWaalsContact O-N 3.17Å; S31-Y35 WeakPolarHBondContact O-CD2 3.21Å; S31-Y35 PolarHBondContact O-N 3.28Å
32	L	74.4	Confident	70.6	Confident	93 Å²	93	116.2 Å²	116.2	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-60.8	-39.1	179.2	-166.5	72	0	0	0	112.3	Y28 Y35 I36	Y28-L32 PolarHBondContact O-N 2.97Å; L32-Y35 PolarHBondContact O-N 3.49Å; L32-I36 HydrophobicContact CG-CD1 4.31Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.46Å; L32-I36 PolarHBondContact O-N 2.87Å
33	R	76	Confident	71.7	Confident	185 Å²	185	115.2 Å²	115.2	70%	0.698	54%	0.539	S	S	*	.	H	α-helix	trans	-69.4	-36.7	178.4	-160.1	177.7	-178.9	-172.9	-1.5	112.2	I29 I30 S31 L37	I29-R33 PolarHBondContact O-N 3.22Å; I29-R33 VanDerWaalsContact O-N 3.16Å; I30-R33 PolarHBondContact O-N 3.13Å; S31-R33 VanDerWaalsContact C-N 3.3Å; S31-R33 PolarHBondContact O-N 3.04Å; R33-L37 WeakPolarHBondContact O-CB 3.25Å; R33-L37 PolarHBondContact O-N 3.48Å
34	Q	76.7	Confident	72.8	Confident	128 Å²	128	116.1 Å²	116.1	60%	0.598	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-41.7	173	-74.5	176.8	-23	0	0	111.5	I30 S31 I36 L37 L38	I30-Q34 WeakPolarHBondContact O-CG 3.33Å; I30-Q34 PolarHBondContact O-N 3.3Å; S31-Q34 PolarHBondContact O-N 3.23Å; S31-Q34 VanDerWaalsContact O-N 3.17Å; Q34-I36 PolarHBondContact O-N 3.08Å; Q34-L37 PolarHBondContact O-N 3.39Å; Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.47Å
35	Y	76.8	Confident	73.9	Confident	163 Å²	163	112.5 Å²	112.5	64%	0.639	53%	0.528	S	S	*	.	H	α-helix	trans	-61.3	-42.4	174.4	-94.2	-81.1	0	0	0	112.6	S31 L32 L38 Y39	S31-Y35 WeakPolarHBondContact O-CD2 3.21Å; S31-Y35 PolarHBondContact O-N 3.28Å; L32-Y35 PolarHBondContact O-N 3.49Å; Y35-L38 PolarHBondContact O-N 3.48Å; Y35-Y39 VanDerWaalsContact O-CB 3.31Å; Y35-Y39 WeakPolarHBondContact O-CB 3.27Å; Y35-Y39 PolarHBondContact O-N 3.27Å
36	I	80.4	Confident	74.9	Confident	89 Å²	89	111.3 Å²	111.3	46%	0.456	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-45	176.6	-68	165.2	0	0	0	110.8	L32 Q34 Y39 Y40	L32-I36 HydrophobicContact CG-CD1 4.31Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.46Å; L32-I36 PolarHBondContact O-N 2.87Å; Q34-I36 PolarHBondContact O-N 3.08Å; I36-Y39 PolarHBondContact O-N 2.99Å; I36-Y40 HydrophobicContact CG2-CD2 3.83Å; I36-Y40 HydrophobicContact CG2-CE2 3.81Å; I36-Y40 VanDerWaalsContact O-CD2 3.27Å; I36-Y40 WeakPolarHBondContact O-CD2 3.4Å; I36-Y40 PolarHBondContact O-N 3.28Å
37	L	82.1	Confident	76	Confident	110 Å²	110	115.1 Å²	115.1	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-62.4	-43.8	177.6	-83.9	160.5	0	0	0	111.8	R33 Q34 Y39 Y40 L41	R33-L37 WeakPolarHBondContact O-CB 3.25Å; R33-L37 PolarHBondContact O-N 3.48Å; Q34-L37 PolarHBondContact O-N 3.39Å; L37-Y39 VanDerWaalsContact C-N 3.35Å; L37-Y40 PolarHBondContact O-N 3.44Å; L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 3.46Å
38	L	80.2	Confident	76.8	Confident	99 Å²	99	111.2 Å²	111.2	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-41.5	177	-167.6	73.6	0	0	0	111.3	Q34 Y35 Y40 L41 I42	Q34-L38 WeakPolarHBondContact O-CB 3.34Å; Q34-L38 PolarHBondContact O-N 3.47Å; Y35-L38 PolarHBondContact O-N 3.48Å; L38-Y40 PolarHBondContact O-N 3.5Å; L38-L41 PolarHBondContact O-N 2.89Å; L38-L41 VanDerWaalsContact O-N 3.15Å; L38-I42 HydrophobicContact CG-CD1 4.19Å; L38-I42 VanDerWaalsContact O-CG1 3.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.19Å; L38-I42 PolarHBondContact O-N 3.4Å
39	Y	81.6	Confident	77.2	Confident	154 Å²	154	108 Å²	108	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-44.9	175.4	-176.4	-102.9	0	0	0	112	Y35 I36 L37 L41 I42 I43	Y35-Y39 VanDerWaalsContact O-CB 3.31Å; Y35-Y39 WeakPolarHBondContact O-CB 3.27Å; Y35-Y39 PolarHBondContact O-N 3.27Å; I36-Y39 PolarHBondContact O-N 2.99Å; L37-Y39 VanDerWaalsContact C-N 3.35Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 2.95Å; Y39-I42 PolarHBondContact O-N 2.97Å; Y39-I43 HydrophobicContact CD1-CD1 3.78Å; Y39-I43 HydrophobicContact CE1-CD1 3.37Å; Y39-I43 HydrophobicContact CE1-CG1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.44Å; Y39-I43 PolarHBondContact O-N 2.76Å
40	Y	83.1	Confident	77.6	Confident	147 Å²	147	109.6 Å²	109.6	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-37.4	173.5	-86.5	-73.4	0	0	0	112.6	I36 L37 L38 I43 I44	I36-Y40 HydrophobicContact CG2-CD2 3.83Å; I36-Y40 HydrophobicContact CG2-CE2 3.81Å; I36-Y40 VanDerWaalsContact O-CD2 3.27Å; I36-Y40 WeakPolarHBondContact O-CD2 3.4Å; I36-Y40 PolarHBondContact O-N 3.28Å; L37-Y40 PolarHBondContact O-N 3.44Å; L38-Y40 PolarHBondContact O-N 3.5Å; Y40-I43 PolarHBondContact O-N 3.36Å; Y40-I44 VanDerWaalsContact O-CG1 3.29Å; Y40-I44 WeakPolarHBondContact O-CG1 3.3Å; Y40-I44 PolarHBondContact O-N 2.86Å
41	L	82.5	Confident	77.4	Confident	97 Å²	97	108.2 Å²	108.2	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-68.3	-39.4	179.5	-139.5	148.7	0	0	0	111.5	L37 L38 Y39 I44 I45	L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 3.46Å; L38-L41 PolarHBondContact O-N 2.89Å; L38-L41 VanDerWaalsContact O-N 3.15Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 2.95Å; L41-I44 PolarHBondContact O-N 3.49Å; L41-I45 HydrophobicContact CD2-CD1 3.61Å; L41-I45 HydrophobicContact CD2-CG1 4.19Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 2.94Å
42	I	80.3	Confident	77.1	Confident	89 Å²	89	112 Å²	112	46%	0.456	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-41.7	172.6	-67.2	166.1	0	0	0	110.8	L38 Y39 I44 I45 T46	L38-I42 HydrophobicContact CG-CD1 4.19Å; L38-I42 VanDerWaalsContact O-CG1 3.32Å; L38-I42 WeakPolarHBondContact O-CG1 3.19Å; L38-I42 PolarHBondContact O-N 3.4Å; Y39-I42 PolarHBondContact O-N 2.97Å; I42-I44 VanDerWaalsContact C-N 3.29Å; I42-I44 PolarHBondContact O-N 3.38Å; I42-I45 PolarHBondContact O-N 3.27Å; I42-T46 HydrophobicContact CG2-CG2 4.19Å; I42-T46 WeakPolarHBondContact O-CB 3.34Å; I42-T46 VanDerWaalsContact O-CG2 3.3Å; I42-T46 WeakPolarHBondContact O-CG2 3.31Å; I42-T46 PolarHBondContact O-N 3.4Å; I42-T46 PolarHBondContact O-OG1 2.98Å
43	I	80.6	Confident	76.6	Confident	72 Å²	72	111.7 Å²	111.7	37%	0.369	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-40.3	174.5	-70.3	170.4	0	0	0	110.8	Y39 Y40 T46 W47	Y39-I43 HydrophobicContact CD1-CD1 3.78Å; Y39-I43 HydrophobicContact CE1-CD1 3.37Å; Y39-I43 HydrophobicContact CE1-CG1 4.44Å; Y39-I43 WeakPolarHBondContact O-CG1 3.44Å; Y39-I43 PolarHBondContact O-N 2.76Å; Y40-I43 PolarHBondContact O-N 3.36Å; I43-T46 WeakPolarHBondContact CA-OG1 3.49Å; I43-T46 PolarHBondContact O-OG1 2.79Å; I43-W47 WeakPolarHBondContact O-CB 3.38Å; I43-W47 PolarHBondContact O-N 2.91Å
44	I	80.7	Confident	75.7	Confident	96 Å²	96	109.6 Å²	109.6	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-68.6	-43	178.6	-69.5	165.7	0	0	0	111.4	Y40 L41 I42 W47 L48	Y40-I44 VanDerWaalsContact O-CG1 3.29Å; Y40-I44 WeakPolarHBondContact O-CG1 3.3Å; Y40-I44 PolarHBondContact O-N 2.86Å; L41-I44 PolarHBondContact O-N 3.49Å; I42-I44 VanDerWaalsContact C-N 3.29Å; I42-I44 PolarHBondContact O-N 3.38Å; I44-W47 PolarHBondContact O-N 3.07Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 PolarHBondContact O-N 3.4Å
45	I	79.4	Confident	74.2	Confident	82 Å²	82	109.1 Å²	109.1	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-49.6	177.9	-68.4	168.5	0	0	0	110.6	L41 I42 W47 L48 D49	L41-I45 HydrophobicContact CD2-CD1 3.61Å; L41-I45 HydrophobicContact CD2-CG1 4.19Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 2.94Å; I42-I45 PolarHBondContact O-N 3.27Å; I45-W47 PolarHBondContact O-N 2.9Å; I45-L48 WeakPolarHBondContact O-CB 3.39Å; I45-L48 PolarHBondContact O-N 3.35Å; I45-L48 VanDerWaalsContact O-N 3.07Å; I45-D49 PolarHBondContact O-N 2.87Å
46	T	75.6	Confident	72.9	Confident	82 Å²	82	106.6 Å²	106.6	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-60.5	-34.8	177.8	52.1	0	0	0	0	111.8	I42 I43 H50	I42-T46 HydrophobicContact CG2-CG2 4.19Å; I42-T46 WeakPolarHBondContact O-CB 3.34Å; I42-T46 VanDerWaalsContact O-CG2 3.3Å; I42-T46 WeakPolarHBondContact O-CG2 3.31Å; I42-T46 PolarHBondContact O-N 3.4Å; I42-T46 PolarHBondContact O-OG1 2.98Å; I43-T46 WeakPolarHBondContact CA-OG1 3.49Å; I43-T46 PolarHBondContact O-OG1 2.79Å; T46-H50 WeakPolarHBondContact O-CB 3.29Å; T46-H50 PolarHBondContact O-N 3.49Å; T46-H50 VanDerWaalsContact O-N 3.08Å
47	W	80.1	Confident	71.5	Confident	172 Å²	172	107.5 Å²	107.5	65%	0.652	54%	0.537	S	S	*	.	H	α-helix	trans	-69	-42.2	173.3	-171.3	81.9	0	0	0	112.8	I43 I44 I45 D49 H50 V51	I43-W47 WeakPolarHBondContact O-CB 3.38Å; I43-W47 PolarHBondContact O-N 2.91Å; I44-W47 PolarHBondContact O-N 3.07Å; I45-W47 PolarHBondContact O-N 2.9Å; W47-D49 PolarHBondContact O-N 3.03Å; W47-H50 PolarHBondContact O-N 2.9Å; W47-V51 HydrophobicContact CD2-CG2 4.09Å; W47-V51 HydrophobicContact CE3-CG2 4.13Å; W47-V51 HydrophobicContact CH2-CG2 4.03Å; W47-V51 HydrophobicContact CZ2-CG2 3.97Å; W47-V51 HydrophobicContact CZ3-CG2 4.11Å; W47-V51 WeakPolarHBondContact O-CG2 3.39Å; W47-V51 PolarHBondContact O-N 2.95Å
48	L	73.6	Confident	69.4	Low	81 Å²	81	109.4 Å²	109.4	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175.1	-92.3	153	0	0	0	112.3	I44 I45 H50 V51 K52	I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 PolarHBondContact O-N 3.4Å; I45-L48 WeakPolarHBondContact O-CB 3.39Å; I45-L48 PolarHBondContact O-N 3.35Å; I45-L48 VanDerWaalsContact O-N 3.07Å; L48-H50 VanDerWaalsContact C-N 3.33Å; L48-V51 PolarHBondContact O-N 2.99Å; L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.36Å
49	D	74.1	Confident	67.7	Low	88 Å²	88	108.9 Å²	108.9	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-38.8	175.9	-68.8	-27	0	0	0	111.1	I45 W47 V51 K52 A53	I45-D49 PolarHBondContact O-N 2.87Å; W47-D49 PolarHBondContact O-N 3.03Å; D49-V51 VanDerWaalsContact C-N 3.29Å; D49-V51 PolarHBondContact O-N 3.47Å; D49-K52 PolarHBondContact O-N 2.95Å; D49-A53 WeakPolarHBondContact O-CB 3.32Å; D49-A53 PolarHBondContact O-N 3.42Å
50	H	71	Confident	65.7	Low	134 Å²	134	108 Å²	108	62%	0.62	55%	0.547	S	S	*	.	H	α-helix	trans	-67.8	-27.2	176	-153.4	-49.7	0	0	0	113.3	T46 W47 L48	T46-H50 WeakPolarHBondContact O-CB 3.29Å; T46-H50 PolarHBondContact O-N 3.49Å; T46-H50 VanDerWaalsContact O-N 3.08Å; W47-H50 PolarHBondContact O-N 2.9Å; L48-H50 VanDerWaalsContact C-N 3.33Å
51	V	65.5	Low	63.7	Low	62 Å²	62	106.5 Å²	106.5	38%	0.376	55%	0.548	S	S	.	.	H	α-helix	trans	-77.1	-41	172.8	172.1	0	0	0	0	110.9	W47 L48 D49 A53 K54	W47-V51 HydrophobicContact CD2-CG2 4.09Å; W47-V51 HydrophobicContact CE3-CG2 4.13Å; W47-V51 HydrophobicContact CH2-CG2 4.03Å; W47-V51 HydrophobicContact CZ2-CG2 3.97Å; W47-V51 HydrophobicContact CZ3-CG2 4.11Å; W47-V51 WeakPolarHBondContact O-CG2 3.39Å; W47-V51 PolarHBondContact O-N 2.95Å; L48-V51 PolarHBondContact O-N 2.99Å; D49-V51 VanDerWaalsContact C-N 3.29Å; D49-V51 PolarHBondContact O-N 3.47Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.43Å; V51-K54 PolarHBondContact O-N 2.99Å
52	K	63.7	Low	61.3	Low	130 Å²	130	111.4 Å²	111.4	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-67.3	-31	176.6	-74.4	177.4	-178.3	174	0	113.3	L48 D49 K54	L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.36Å; D49-K52 PolarHBondContact O-N 2.95Å; K52-K54 PolarHBondContact O-N 3.4Å
53	A	65.1	Low	59.3	Low	86 Å²	86	111.4 Å²	111.4	71%	0.711	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-11.1	177.4	0	0	0	0	0	113.9	D49 V51 S55	D49-A53 WeakPolarHBondContact O-CB 3.32Å; D49-A53 PolarHBondContact O-N 3.42Å; V51-A53 VanDerWaalsContact C-N 3.34Å; V51-A53 PolarHBondContact O-N 3.43Å; A53-S55 PolarHBondContact O-N 2.94Å
54	K	56	Low	57.2	Low	141 Å²	141	111.8 Å²	111.8	61%	0.613	57%	0.571	S	S	*	*	S	Bend	trans	-79.5	122.2	175.6	-72.9	-174.9	176.1	-177.6	0	110.4	V51 K52 N56 Y57	V51-K54 PolarHBondContact O-N 2.99Å; K52-K54 PolarHBondContact O-N 3.4Å; K54-N56 PolarHBondContact O-N 3.41Å; K54-Y57 PolarHBondContact O-N 3.47Å
55	S	46.5	Very low	55.1	Low	117 Å²	117	113.2 Å²	113.2	82%	0.818	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-16.3	-171.5	66.5	0	0	0	0	115.7	A53	A53-S55 PolarHBondContact O-N 2.94Å
56	N	49.2	Very low	52.7	Low	110 Å²	110	117.3 Å²	117.3	59%	0.588	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	20	-175.5	-73.5	-15.2	0	0	0	115	K54 K58 T59 L60	K54-N56 PolarHBondContact O-N 3.41Å; N56-K58 VanDerWaalsContact C-N 3.26Å; N56-K58 PolarHBondContact O-N 2.83Å; N56-T59 PolarHBondContact O-N 3.3Å; N56-L60 PolarHBondContact O-N 3.04Å
57	Y	49.6	Very low	50.7	Low	108 Å²	108	118.9 Å²	118.9	42%	0.424	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	-30.9	-179.5	88	-93.9	0	0	0	113.2	K54 L60	K54-Y57 PolarHBondContact O-N 3.47Å; Y57-L60 WeakPolarHBondContact O-CB 3.42Å; Y57-L60 PolarHBondContact O-N 3.44Å
58	K	39.7	Very low	48.6	Very low	150 Å²	150	116.3 Å²	116.3	65%	0.652	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-31	178.1	-75.4	-174	175.5	-179.6	0	113.2	N56 L60	N56-K58 VanDerWaalsContact C-N 3.26Å; N56-K58 PolarHBondContact O-N 2.83Å; K58-L60 VanDerWaalsContact C-N 3.32Å
59	T	43.3	Very low	46.5	Very low	88 Å²	88	115.8 Å²	115.8	54%	0.54	60%	0.601	S	S	.	*	H	α-helix	trans	-75.7	-22.6	179	-31.4	0	0	0	0	112.5	N56 I61 T63	N56-T59 PolarHBondContact O-N 3.3Å; T59-I61 VanDerWaalsContact C-N 3.31Å; T59-I61 PolarHBondContact O-N 3.49Å; T59-T63 PolarHBondContact O-OG1 2.94Å; T59-T63 VanDerWaalsContact O-OG1 3.13Å
60	L	39.4	Very low	44.6	Very low	136 Å²	136	116.5 Å²	116.5	71%	0.712	60%	0.604	S	S	*	*	H	α-helix	trans	-71.5	-23.3	180	-156.6	79.8	0	0	0	113.1	N56 Y57 K58	N56-L60 PolarHBondContact O-N 3.04Å; Y57-L60 WeakPolarHBondContact O-CB 3.42Å; Y57-L60 PolarHBondContact O-N 3.44Å; K58-L60 VanDerWaalsContact C-N 3.32Å
61	I	41.3	Very low	42.7	Very low	115 Å²	115	116.9 Å²	116.9	59%	0.59	61%	0.605	S	S	*	*	H	α-helix	trans	-87.8	-35.8	-177.1	-57.9	177.4	0	0	0	111	T59 T63 T64	T59-I61 VanDerWaalsContact C-N 3.31Å; T59-I61 PolarHBondContact O-N 3.49Å; I61-T63 PolarHBondContact O-N 3.49Å; I61-T64 PolarHBondContact O-OG1 2.86Å
62	Y	32.6	Very low	41	Very low	201 Å²	201	121.7 Å²	121.7	79%	0.788	62%	0.624	S	S	*	*	H	α-helix	trans	-77.6	-18.4	-175.4	-111	-84.3	0	0	0	114.9	T64	Y62-T64 VanDerWaalsContact C-N 3.32Å
63	T	38.2	Very low	39.3	Very low	89 Å²	89	120.6 Å²	120.6	55%	0.546	63%	0.628	S	S	.	*	H	α-helix	trans	-80.6	-11.9	-179.1	30.7	0	0	0	0	113.7	T59 I61	T59-T63 PolarHBondContact O-OG1 2.94Å; T59-T63 VanDerWaalsContact O-OG1 3.13Å; I61-T63 PolarHBondContact O-N 3.49Å
64	T	37.5	Very low	37.5	Very low	79 Å²	79	121.9 Å²	121.9	49%	0.485	63%	0.627	S	S	.	*	H	α-helix	trans	-72.9	-35.7	-178.2	-12.3	0	0	0	0	113.4	I61 Y62 L67 L68	I61-T64 PolarHBondContact O-OG1 2.86Å; Y62-T64 VanDerWaalsContact C-N 3.32Å; T64-L67 PolarHBondContact O-N 3.13Å; T64-L68 PolarHBondContact O-N 2.9Å
65	D	35.3	Very low	36.1	Very low	126 Å²	126	120.3 Å²	120.3	67%	0.674	63%	0.63	S	S	*	*	H	α-helix	trans	-73.9	-31.5	-175.8	-75.6	-20.5	0	0	0	112.9	L67	D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.15Å
66	K	29.9	Very low	35.2	Very low	168 Å²	168	121.3 Å²	121.3	73%	0.73	63%	0.626	S	S	*	*	H	α-helix	trans	-71.8	-30.7	179.2	-151.7	172.7	-174.4	178.9	0	112	S69	K66-S69 PolarHBondContact O-OG 3.23Å
67	L	33.7	Very low	34	Very low	116 Å²	116	123.4 Å²	123.4	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-77.2	-27.8	-179.1	-134.1	91	0	0	0	113.2	T64 D65 S69 I70	T64-L67 PolarHBondContact O-N 3.13Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.15Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 2.88Å; L67-I70 PolarHBondContact O-N 3.34Å
68	L	35	Very low	32.9	Very low	117 Å²	117	125.5 Å²	125.5	61%	0.613	66%	0.656	S	S	*	*	H	α-helix	trans	-68.1	-31	178.3	-118.3	96.2	0	0	0	112.6	T64 I70	T64-L68 PolarHBondContact O-N 2.9Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3.49Å
69	S	30.7	Very low	32.2	Very low	71 Å²	71	125.3 Å²	125.3	50%	0.497	66%	0.662	S	S	.	*	H	α-helix	trans	-70.7	-27.7	178.8	69.2	0	0	0	0	113.6	K66 L67	K66-S69 PolarHBondContact O-OG 3.23Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 2.88Å
70	I	33.3	Very low	31.4	Very low	103 Å²	103	131.8 Å²	131.8	53%	0.528	68%	0.677	S	S	.	*	H	α-helix	trans	-82.1	-28.5	-175.9	-62	173.4	0	0	0	111.4	L67 L68 Q72 T73	L67-I70 PolarHBondContact O-N 3.34Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3.49Å; I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.05Å; I70-T73 PolarHBondContact O-N 3.44Å; I70-T73 PolarHBondContact O-OG1 2.99Å; I70-T73 VanDerWaalsContact O-OG1 3.04Å
71	Q	31.1	Very low	30.8	Very low	141 Å²	141	132.5 Å²	132.5	66%	0.659	68%	0.681	S	S	*	*	H	α-helix	trans	-74.8	-16.8	-179.4	-80.9	-173.3	-32.6	0	0	114.4
72	Q	30.9	Very low	30.1	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.762	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-16.9	176.7	-76.8	-177.6	-25.8	0	0	113.7	I70	I70-Q72 VanDerWaalsContact C-N 3.32Å; I70-Q72 PolarHBondContact O-N 3.05Å
73	T	27.4	Very low	29.9	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-15.1	-178.1	40.7	0	0	0	0	114.7	I70	I70-T73 PolarHBondContact O-N 3.44Å; I70-T73 PolarHBondContact O-OG1 2.99Å; I70-T73 VanDerWaalsContact O-OG1 3.04Å
74	T	26.6	Very low	29.2	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.693	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	18.5	-175.8	51.4	0	0	0	0	114.8
75	T	27.3	Very low	28.7	Very low	108 Å²	108	136.2 Å²	136.2	66%	0.663	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	7.5	172.3	44.8	0	0	0	0	114.6
76	N	26.3	Very low	28.3	Very low	139 Å²	139	136.8 Å²	136.8	74%	0.743	71%	0.709	S	S	*	*			trans	-114.5	68.3	174.9	-86	-6	0	0	0	111.8
77	N	25.2	Very low	28.1	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	71%	0.711	S	S	*	*			trans	-149.3	78.9	156.1	-97.5	-20.4	0	0	0	109.8	N79	N77-N79 PolarHBondContact O-N 3.46Å; N77-N79 VanDerWaalsContact O-N 3.12Å
78	N	26	Very low	27.7	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	72%	0.72	S	S	*	*			trans	-65.8	95.2	165.8	-74.1	-30.1	0	0	0	109.2
79	N	24.3	Very low	27.2	Very low	147 Å²	147	139.6 Å²	139.6	79%	0.786	73%	0.729	S	S	*	*			trans	-140.3	42.7	167.1	-100.1	-11	0	0	0	112.1	N77	N77-N79 PolarHBondContact O-N 3.46Å; N77-N79 VanDerWaalsContact O-N 3.12Å
80	W	26.6	Very low	27.3	Very low	223 Å²	223	144.7 Å²	144.7	85%	0.845	74%	0.738	S	S	*	*			trans	-97.3	15.1	167.6	-78.7	87.5	0	0	0	113.4	I83	W80-I83 HydrophobicContact CZ3-CD1 4.49Å
81	N	28.5	Very low	27	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	75%	0.747	S	S	*	*			trans	-105.2	74.6	172	-73.9	-12.7	0	0	0	110
82	L	26.1	Very low	26.8	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	74%	0.743	S	S	*	*			trans	-170.7	20.1	159	-105.7	148.2	0	0	0	115.6	N84	L82-N84 PolarHBondContact O-N 3.45Å
83	I	27.8	Very low	26.6	Very low	131 Å²	131	144.5 Å²	144.5	67%	0.672	75%	0.747	S	S	*	*			trans	-92.5	81.9	162.4	-52.3	178.4	0	0	0	107.1	W80 I85	W80-I83 HydrophobicContact CZ3-CD1 4.49Å; I83-I85 VanDerWaalsContact C-N 3.26Å; I83-I85 HydrophobicContact CG2-CG1 3.93Å; I83-I85 PolarHBondContact O-N 2.82Å
84	N	23.7	Very low	26.8	Very low	138 Å²	138	148.7 Å²	148.7	74%	0.738	76%	0.756	S	S	*	*			trans	-63.2	91.4	163.8	-101.8	-10.7	0	0	0	107.7	L82 N86	L82-N84 PolarHBondContact O-N 3.45Å; N84-N86 PolarHBondContact O-N 2.74Å
85	I	27.4	Very low	26.9	Very low	132 Å²	132	152 Å²	152	68%	0.677	76%	0.76	S	S	*	*			trans	-72	89.3	163.2	-56.1	177.8	0	0	0	105.3	I83 Q87	I83-I85 VanDerWaalsContact C-N 3.26Å; I83-I85 HydrophobicContact CG2-CG1 3.93Å; I83-I85 PolarHBondContact O-N 2.82Å; I85-Q87 HydrophobicContact CG2-CB 4.39Å; I85-Q87 PolarHBondContact O-N 3.47Å
86	N	26.2	Very low	26.9	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	77%	0.767	S	S	*	*			trans	-64.9	87.1	164.6	-77.4	-10.8	0	0	0	107.1	N84 E88	N84-N86 PolarHBondContact O-N 2.74Å; N86-E88 VanDerWaalsContact C-N 3.31Å; N86-E88 PolarHBondContact O-N 3.31Å
87	Q	26.3	Very low	27.1	Very low	165 Å²	165	154.7 Å²	154.7	77%	0.771	77%	0.774	S	S	*	*			trans	-78.2	86.3	175.7	-158.3	170.2	1.9	0	0	106.8	I85	I85-Q87 HydrophobicContact CG2-CB 4.39Å; I85-Q87 PolarHBondContact O-N 3.47Å
88	E	26.1	Very low	27.3	Very low	173 Å²	173	156.4 Å²	156.4	81%	0.808	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.1	132.9	173.9	-74.3	-174	166.4	0	0	109.8	N86 W90	N86-E88 VanDerWaalsContact C-N 3.31Å; N86-E88 PolarHBondContact O-N 3.31Å; E88-W90 PolarHBondContact O-N 2.8Å
89	P	23.9	Very low	27.7	Very low	123 Å²	123	154.4 Å²	154.4	80%	0.799	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-60.8	128.4	173.2	-18.6	30.4	0	0	0	110.2
90	W	33.4	Very low	28	Very low	178 Å²	178	157.4 Å²	157.4	67%	0.674	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.1	133.6	-178.8	175.6	87.9	0	0	0	112	E88 P92	E88-W90 PolarHBondContact O-N 2.8Å; W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 3.85Å; W90-P92 HydrophobicContact CZ2-CB 4.39Å; W90-P92 HydrophobicContact CZ3-CB 4.19Å; W90-P92 HydrophobicContact CZ3-CG 3.73Å
91	E	26	Very low	28.4	Very low	153 Å²	153	153.7 Å²	153.7	72%	0.715	77%	0.772	S	S	*	*			trans	-109.4	143.9	168.5	-71.2	-164.9	166.4	0	0	112.1
92	P	27.7	Very low	28.6	Very low	88 Å²	88	154.8 Å²	154.8	57%	0.571	77%	0.772	S	S	*	*			trans	-64.4	137.3	177.5	-16.4	27.6	0	0	0	113.8	W90 K94	W90-P92 HydrophobicContact CH2-CB 3.78Å; W90-P92 HydrophobicContact CH2-CG 3.85Å; W90-P92 HydrophobicContact CZ2-CB 4.39Å; W90-P92 HydrophobicContact CZ3-CB 4.19Å; W90-P92 HydrophobicContact CZ3-CG 3.73Å; P92-K94 PolarHBondContact O-N 3.38Å
93	L	25.9	Very low	28.9	Very low	162 Å²	162	156.5 Å²	156.5	85%	0.848	77%	0.773	S	S	*	*			trans	-61.8	117	173.4	-68.3	170	0	0	0	110.6	K95	L93-K95 PolarHBondContact O-N 2.95Å
94	K	32.1	Very low	29.2	Very low	194 Å²	194	158 Å²	158	84%	0.843	78%	0.781	S	S	*	*	S	Bend	trans	-77	-13.9	-175.5	-76	180	-179.5	168.5	0	114.9	P92	P92-K94 PolarHBondContact O-N 3.38Å
95	K	28.3	Very low	29.6	Very low	183 Å²	183	157.8 Å²	157.8	80%	0.796	78%	0.775	S	S	*	*	S	Bend	trans	-152	149.9	176.6	-65.6	-170.9	-178.8	-179.7	0	113	L93	L93-K95 PolarHBondContact O-N 2.95Å
96	P	28.1	Very low	30.1	Very low	123 Å²	123	158.7 Å²	158.7	80%	0.799	78%	0.781	S	S	*	*			trans	-63.3	142.3	173.4	-15.3	29.2	0	0	0	111.5	E98	P96-E98 PolarHBondContact O-N 2.82Å
97	M	29.3	Very low	30.7	Very low	181 Å²	181	160.7 Å²	160.7	89%	0.892	79%	0.786	S	S	*	*			trans	-75.2	106.1	178.4	-166	175.8	173.9	0	0	109.8	T99	M97-T99 PolarHBondContact O-N 2.91Å
98	E	29.6	Very low	31.5	Very low	189 Å²	189	157.9 Å²	157.9	88%	0.883	77%	0.773	S	S	*	*			trans	-70.1	108.9	171.7	-75	176.4	175.7	0	0	109.9	P96 K100	P96-E98 PolarHBondContact O-N 2.82Å; E98-K100 PolarHBondContact O-N 3.37Å
99	T	34.4	Very low	32.6	Very low	109 Å²	109	156.4 Å²	156.4	67%	0.669	77%	0.77	S	S	*	*			trans	-75.5	118	173.2	41.5	0	0	0	0	110.8	M97 I101	M97-T99 PolarHBondContact O-N 2.91Å; T99-I101 PolarHBondContact O-N 2.86Å
100	K	30.9	Very low	33.9	Very low	211 Å²	211	155.2 Å²	155.2	92%	0.917	77%	0.765	S	S	*	*			trans	-60.1	38.3	-177.9	-121.9	177.4	-172.5	178	0	117	E98	E98-K100 PolarHBondContact O-N 3.37Å
101	I	34.1	Very low	34.7	Very low	145 Å²	145	152.3 Å²	152.3	74%	0.744	76%	0.757	S	S	*	*			trans	-92.3	-4.4	-173.6	-64.4	179.3	0	0	0	113.9	T99 K103	T99-I101 PolarHBondContact O-N 2.86Å; I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.04Å; I101-K103 VanDerWaalsContact O-N 3.08Å
102	E	33.1	Very low	35.9	Very low	173 Å²	173	148.8 Å²	148.8	81%	0.808	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	3.2	-177.2	-84.5	-176	165.5	0	0	117
103	K	33.2	Very low	37.5	Very low	198 Å²	198	149.3 Å²	149.3	86%	0.861	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	19.7	-172.7	-79	-165.7	176.6	-173.4	0	118.6	I101	I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.04Å; I101-K103 VanDerWaalsContact O-N 3.08Å
104	L	32.6	Very low	39.3	Very low	161 Å²	161	147.5 Å²	147.5	84%	0.843	73%	0.726	S	S	*	*			trans	-131.7	80.1	164.8	-86.1	104.2	0	0	0	111.6
105	H	32.1	Very low	40.4	Very low	134 Å²	134	147 Å²	147	62%	0.62	72%	0.718	S	S	*	*			trans	-103.2	141.8	166.5	-81	84.4	0	0	0	109.5
106	N	38.1	Very low	42.1	Very low	151 Å²	151	142 Å²	142	81%	0.807	70%	0.701	S	S	*	*	S	Bend	trans	110.3	53.7	167.2	-53.5	-18.8	0	0	0	117.8
107	H	39.5	Very low	43.6	Very low	181 Å²	181	142.7 Å²	142.7	84%	0.838	69%	0.693	S	S	*	*	S	Bend	trans	-174.2	25.9	137.7	-115.7	54	0	0	0	117.5
108	H	42.7	Very low	45.2	Very low	106 Å²	106	137.4 Å²	137.4	49%	0.491	67%	0.668	S	S	.	*			trans	-137.1	48.2	-173.1	-84.5	-30.5	0	0	0	116	S110 K111 H112	H108-S110 VanDerWaalsContact C-N 3.34Å; H108-S110 PolarHBondContact O-N 2.92Å; H108-K111 HydrophobicContact CB-CB 4.29Å; H108-K111 PolarHBondContact O-N 3.12Å; H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-CD2 3.04Å; H108-H112 PolarHBondContact O-N 2.8Å
109	N	49.5	Very low	47	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	65%	0.65	S	S	*	*	H	α-helix	trans	-62.1	-33.2	-179.4	-74.3	-9.3	0	0	0	114.6	N113	N109-N113 PolarHBondContact O-N 3.46Å; N109-N113 PolarHBondContact O-ND2 3Å
110	S	52.2	Low	48.6	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	64%	0.642	S	S	*	*	H	α-helix	trans	-73.6	-47.2	177.2	171.2	0	0	0	0	112.3	H108 H112 N113 E114	H108-S110 VanDerWaalsContact C-N 3.34Å; H108-S110 PolarHBondContact O-N 2.92Å; S110-H112 VanDerWaalsContact C-N 3.32Å; S110-H112 PolarHBondContact O-N 3.31Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-E114 PolarHBondContact O-N 3.31Å
111	K	49.9	Very low	50.7	Low	117 Å²	117	127.9 Å²	127.9	51%	0.509	62%	0.62	S	S	.	*	H	α-helix	trans	-64.9	-34	176.1	-76.7	-174.8	-179.4	177	0	112.5	H108 E114 W115	H108-K111 HydrophobicContact CB-CB 4.29Å; H108-K111 PolarHBondContact O-N 3.12Å; K111-E114 PolarHBondContact O-N 3.2Å; K111-W115 VanDerWaalsContact O-CB 3.31Å; K111-W115 WeakPolarHBondContact O-CB 3.38Å; K111-W115 PolarHBondContact O-N 3.09Å
112	H	50	Low	52.9	Low	78 Å²	78	124.3 Å²	124.3	36%	0.361	60%	0.598	S	S	.	*	H	α-helix	trans	-63.4	-40.9	176	-91.5	-69.5	0	0	0	112.4	H108 S110 W115 N116	H108-H112 WeakPolarHBondContact O-CB 3.29Å; H108-H112 PolarHBondContact O-CD2 3.04Å; H108-H112 PolarHBondContact O-N 2.8Å; S110-H112 VanDerWaalsContact C-N 3.32Å; S110-H112 PolarHBondContact O-N 3.31Å; H112-W115 PolarHBondContact O-N 2.87Å; H112-N116 VanDerWaalsContact O-CB 3.24Å; H112-N116 WeakPolarHBondContact O-CB 3.19Å; H112-N116 PolarHBondContact O-N 3.33Å; H112-N116 PolarHBondContact O-ND2 2.91Å
113	N	61.2	Low	55.4	Low	100 Å²	100	120.1 Å²	120.1	54%	0.535	58%	0.578	S	S	.	*	H	α-helix	trans	-66.5	-43.1	177.5	-71.6	-15.6	0	0	0	111.6	N109 S110 N116 H117	N109-N113 PolarHBondContact O-N 3.46Å; N109-N113 PolarHBondContact O-ND2 3Å; S110-N113 PolarHBondContact O-N 3.27Å; N113-N116 PolarHBondContact O-N 3.49Å; N113-H117 WeakPolarHBondContact O-CB 3.12Å; N113-H117 PolarHBondContact O-CD2 3.33Å; N113-H117 PolarHBondContact O-N 2.95Å
114	E	64.4	Low	58.3	Low	124 Å²	124	111.4 Å²	111.4	58%	0.579	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-44.1	175.7	-163.8	179.8	-175.8	0	0	111.6	S110 K111 H117 L118	S110-E114 PolarHBondContact O-N 3.31Å; K111-E114 PolarHBondContact O-N 3.2Å; E114-H117 PolarHBondContact O-N 3.44Å; E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.2Å; E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 3.32Å
115	W	55.2	Low	61.4	Low	182 Å²	182	103.8 Å²	103.8	69%	0.689	50%	0.502	S	S	*	.	H	α-helix	trans	-62.1	-42.8	174.1	-100.1	84.2	0	0	0	112.9	K111 H112 L118 K119	K111-W115 VanDerWaalsContact O-CB 3.31Å; K111-W115 WeakPolarHBondContact O-CB 3.38Å; K111-W115 PolarHBondContact O-N 3.09Å; H112-W115 PolarHBondContact O-N 2.87Å; W115-L118 PolarHBondContact O-N 3.46Å; W115-K119 WeakPolarHBondContact O-CB 3.46Å; W115-K119 PolarHBondContact O-N 3.34Å
116	N	63.1	Low	64.5	Low	79 Å²	79	103.2 Å²	103.2	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-40.9	177.3	-74.5	-22.1	0	0	0	110.9	H112 N113 K119 L120	H112-N116 VanDerWaalsContact O-CB 3.24Å; H112-N116 WeakPolarHBondContact O-CB 3.19Å; H112-N116 PolarHBondContact O-N 3.33Å; H112-N116 PolarHBondContact O-ND2 2.91Å; N113-N116 PolarHBondContact O-N 3.49Å; N116-K119 PolarHBondContact O-N 2.9Å; N116-L120 WeakPolarHBondContact O-CB 3.19Å; N116-L120 VanDerWaalsContact O-CG 3.26Å; N116-L120 WeakPolarHBondContact O-CG 3.27Å; N116-L120 PolarHBondContact O-N 2.84Å
117	H	61.3	Low	67.3	Low	138 Å²	138	97.5 Å²	97.5	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-47.3	174.2	-87.7	-66.2	0	0	0	112.2	N113 E114 K119 L120 Q121	N113-H117 WeakPolarHBondContact O-CB 3.12Å; N113-H117 PolarHBondContact O-CD2 3.33Å; N113-H117 PolarHBondContact O-N 2.95Å; E114-H117 PolarHBondContact O-N 3.44Å; H117-K119 VanDerWaalsContact C-N 3.35Å; H117-K119 PolarHBondContact O-N 2.76Å; H117-L120 PolarHBondContact O-N 3.18Å; H117-Q121 VanDerWaalsContact O-CB 3.27Å; H117-Q121 WeakPolarHBondContact O-CB 3.26Å; H117-Q121 PolarHBondContact O-N 2.9Å
118	L	63.1	Low	70.1	Confident	70 Å²	70	92.6 Å²	92.6	37%	0.366	44%	0.442	S	S	.	.	H	α-helix	trans	-60.7	-44.3	175.1	-75.3	163.4	0	0	0	111	E114 W115 Q121 Y122	E114-L118 HydrophobicContact CG-CD1 4.24Å; E114-L118 WeakPolarHBondContact O-CB 3.2Å; E114-L118 WeakPolarHBondContact O-CG 3.31Å; E114-L118 PolarHBondContact O-N 3.32Å; W115-L118 PolarHBondContact O-N 3.46Å; L118-Q121 WeakPolarHBondContact O-CB 3.35Å; L118-Q121 PolarHBondContact O-N 3.02Å; L118-Y122 HydrophobicContact CD2-CE2 4.04Å; L118-Y122 WeakPolarHBondContact O-CD2 3.46Å; L118-Y122 PolarHBondContact O-N 2.69Å
119	K	67.3	Low	72.7	Confident	114 Å²	114	91.3 Å²	91.3	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-48	178.3	-172.7	175.9	179	-176.8	0	111.4	W115 N116 H117 Q121 Y122 Q123	W115-K119 WeakPolarHBondContact O-CB 3.46Å; W115-K119 PolarHBondContact O-N 3.34Å; N116-K119 PolarHBondContact O-N 2.9Å; H117-K119 VanDerWaalsContact C-N 3.35Å; H117-K119 PolarHBondContact O-N 2.76Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 3.09Å; K119-Y122 PolarHBondContact O-N 2.86Å; K119-Q123 HydrophobicContact CG-CG 4.38Å; K119-Q123 VanDerWaalsContact O-CB 3.29Å; K119-Q123 WeakPolarHBondContact O-CB 3.39Å; K119-Q123 WeakPolarHBondContact O-CG 3.34Å; K119-Q123 PolarHBondContact O-N 2.99Å
120	L	67.3	Low	74.9	Confident	99 Å²	99	84.8 Å²	84.8	52%	0.518	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-37.9	176.8	-74	169.3	0	0	0	112.3	N116 H117 Y122 Q123 S124	N116-L120 WeakPolarHBondContact O-CB 3.19Å; N116-L120 VanDerWaalsContact O-CG 3.26Å; N116-L120 WeakPolarHBondContact O-CG 3.27Å; N116-L120 PolarHBondContact O-N 2.84Å; H117-L120 PolarHBondContact O-N 3.18Å; L120-Y122 VanDerWaalsContact C-N 3.3Å; L120-Y122 PolarHBondContact O-N 3.12Å; L120-Q123 PolarHBondContact O-N 2.91Å; L120-S124 PolarHBondContact O-N 3.3Å; L120-S124 PolarHBondContact O-OG 3.17Å
121	Q	74.4	Confident	76.5	Confident	95 Å²	95	87.2 Å²	87.2	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-36.8	179	178.8	179.7	-8.1	0	0	112.7	H117 L118 K119 P149	H117-Q121 VanDerWaalsContact O-CB 3.27Å; H117-Q121 WeakPolarHBondContact O-CB 3.26Å; H117-Q121 PolarHBondContact O-N 2.9Å; L118-Q121 WeakPolarHBondContact O-CB 3.35Å; L118-Q121 PolarHBondContact O-N 3.02Å; K119-Q121 VanDerWaalsContact C-N 3.32Å; K119-Q121 PolarHBondContact O-N 3.09Å; Q121-P149 HydrophobicContact CG-CG 4.3Å
122	Y	80.2	Confident	77.7	Confident	71 Å²	71	86 Å²	86	28%	0.278	41%	0.408	S	S	.	.	H	α-helix	trans	-97.8	-6.6	-179.2	-58.4	-62.8	0	0	0	114.1	L118 K119 L120 R148 P149 K151 S202	L118-Y122 HydrophobicContact CD2-CE2 4.04Å; L118-Y122 WeakPolarHBondContact O-CD2 3.46Å; L118-Y122 PolarHBondContact O-N 2.69Å; K119-Y122 PolarHBondContact O-N 2.86Å; L120-Y122 VanDerWaalsContact C-N 3.3Å; L120-Y122 PolarHBondContact O-N 3.12Å; Y122-R148 WeakPolarHBondContact O-CD 3.23Å; Y122-P149 HydrophobicContact CD1-CG 4.4Å; Y122-P149 HydrophobicContact CE1-CG 4.32Å; Y122-K151 HydrophobicContact CD1-CB 4.36Å; Y122-S202 WeakPolarHBondContact O-CB 3.42Å
123	Q	85.8	Confident	78.8	Confident	85 Å²	85	88.7 Å²	88.7	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-99.5	-36.6	177	-73.8	-175.8	-22.3	0	0	113.4	K119 L120 S202	K119-Q123 HydrophobicContact CG-CG 4.38Å; K119-Q123 VanDerWaalsContact O-CB 3.29Å; K119-Q123 WeakPolarHBondContact O-CB 3.39Å; K119-Q123 WeakPolarHBondContact O-CG 3.34Å; K119-Q123 PolarHBondContact O-N 2.99Å; L120-Q123 PolarHBondContact O-N 2.91Å; Q123-S202 PolarHBondContact O-OG 2.63Å
124	S	93.8	Very high	80	Confident	15 Å²	15	84.2 Å²	84.2	11%	0.105	40%	0.402	C	S	.	.	S	Bend	trans	-110.3	151.5	-174.5	69.6	0	0	0	0	112.2	L120	L120-S124 PolarHBondContact O-N 3.3Å; L120-S124 PolarHBondContact O-OG 3.17Å
125	H	97.5	Very high	81.5	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.8	172	-56.2	67.5	0	0	0	109.6	Y146 Y147 R148 T193 R194 L200 S215	H125-Y146 HydrophobicContact CB-CD1 4.39Å; H125-Y146 HydrophobicContact CB-CG 4.49Å; H125-Y146 WeakPolarHBondContact O-CD1 3.31Å; H125-Y147 WeakPolarHBondContact CA-O 3.31Å; H125-R148 HydrophobicContact CB-CB 4.27Å; H125-T193 CarbonylContact O-C 3.59Å; H125-T193 VanDerWaalsContact O-CA 3.22Å; H125-T193 WeakPolarHBondContact O-CA 3.27Å; H125-R194 PolarHBondContact N-O 3.05Å; H125-R194 PolarHBondContact O-N 3.01Å; H125-L200 PolarHBondContact CE1-O 3.18Å; H125-S215 PolarHBondContact CD2-O 3.26Å; H125-S215 VanDerWaalsContact CD2-O 3.32Å; H125-S215 WeakPolarHBondContact NE2-CB 3.43Å; H125-S215 PolarHBondContact NE2-OG 3.42Å
126	K	97.3	Very high	83.5	Confident	122 Å²	122	71.8 Å²	71.8	53%	0.53	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.1	177.9	-179.8	177.4	177.9	179.5	0	110.7	Y128 Y146 Y147	K126-Y128 HydrophobicContact CB-CE2 3.94Å; K126-Y128 HydrophobicContact CD-CE2 4.33Å; K126-Y128 HydrophobicContact CG-CE2 4.08Å; K126-Y128 WeakPolarHBondContact O-CD2 3.39Å; K126-Y128 WeakPolarHBondContact O-CE2 3.3Å; K126-Y146 CarbonylContact O-C 3.39Å; K126-Y146 VanDerWaalsContact O-CA 3.26Å; K126-Y146 WeakPolarHBondContact O-CA 3.29Å; K126-Y147 PolarHBondContact N-O 3.04Å; K126-Y147 PolarHBondContact O-N 3.3Å
127	L	98	Very high	85.1	Confident	30 Å²	30	68 Å²	68	16%	0.157	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.9	176.4	-179.9	61.3	0	0	0	111.5	L129 Y146 W190 K192	L127-L129 HydrophobicContact CD1-CD2 4.23Å; L127-L129 HydrophobicContact CD2-CD2 4.21Å; L127-L129 HydrophobicContact CD2-CG 4.36Å; L127-L129 HydrophobicContact CG-CD2 4.33Å; L127-L129 HydrophobicContact CG-CG 4.39Å; L127-Y146 HydrophobicContact CB-CD1 4.01Å; L127-Y146 HydrophobicContact CB-CE1 3.63Å; L127-Y146 HydrophobicContact CD1-CD2 4.19Å; L127-Y146 HydrophobicContact CD1-CE1 4.21Å; L127-Y146 HydrophobicContact CD1-CE2 3.85Å; L127-Y146 HydrophobicContact CG-CE1 4.41Å; L127-W190 HydrophobicContact CD1-CE3 4.01Å; L127-W190 HydrophobicContact CD2-CB 4.11Å; L127-K192 WeakPolarHBondContact CB-O 3.44Å; L127-K192 PolarHBondContact N-O 3.4Å
128	Y	97.5	Very high	86.9	Confident	79 Å²	79	61.5 Å²	61.5	31%	0.31	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.6	170.1	-65.4	-96.9	0	0	0	108.3	K126 G144 Y145 Y147	K126-Y128 HydrophobicContact CB-CE2 3.94Å; K126-Y128 HydrophobicContact CD-CE2 4.33Å; K126-Y128 HydrophobicContact CG-CE2 4.08Å; K126-Y128 WeakPolarHBondContact O-CD2 3.39Å; K126-Y128 WeakPolarHBondContact O-CE2 3.3Å; Y128-G144 CarbonylContact O-C 3.52Å; Y128-G144 WeakPolarHBondContact O-CA 3.43Å; Y128-Y145 HydrophobicContact CD2-CE2 4.1Å; Y128-Y145 HydrophobicContact CG-CE2 4.2Å; Y128-Y145 PolarHBondContact N-O 2.87Å; Y128-Y145 PolarHBondContact O-N 3.19Å; Y128-Y147 AromaticContact CE2-CD1 3.95Å; Y128-Y147 HydrophobicContact CE2-CD1 3.95Å; Y128-Y147 HydrophobicContact CE2-CG 4.39Å
129	L	97.7	Very high	88.5	Confident	78 Å²	78	59.8 Å²	59.8	41%	0.408	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	144.6	173	-64.9	176	0	0	0	110.1	L127	L127-L129 HydrophobicContact CD1-CD2 4.23Å; L127-L129 HydrophobicContact CD2-CD2 4.21Å; L127-L129 HydrophobicContact CD2-CG 4.36Å; L127-L129 HydrophobicContact CG-CD2 4.33Å; L127-L129 HydrophobicContact CG-CG 4.39Å
130	I	95.7	Very high	89.8	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	28%	0.28	C	S	.	.			trans	-96.3	106.2	-179.7	-58.5	170.3	0	0	0	108.1	N132 A135 A143 Y145 A247 V248	I130-N132 HydrophobicContact CG2-CB 3.8Å; I130-N132 PolarHBondContact O-N 3.16Å; I130-A135 HydrophobicContact CB-CB 4.46Å; I130-A135 HydrophobicContact CD1-CB 4.36Å; I130-A135 HydrophobicContact CG2-CB 4.08Å; I130-A143 WeakPolarHBondContact CB-O 3.46Å; I130-A143 PolarHBondContact N-O 3.4Å; I130-Y145 HydrophobicContact CG1-CD1 4.49Å; I130-A247 HydrophobicContact CD1-CB 3.95Å; I130-A247 HydrophobicContact CG2-CB 3.9Å; I130-V248 HydrophobicContact CD1-CG2 3.59Å
131	N	86.1	Confident	91.2	Very high	149 Å²	149	51.7 Å²	51.7	80%	0.797	26%	0.262	S	S	*	.			trans	-75.3	22.7	-179.2	-59.8	-11.7	0	0	0	113.7
132	N	74.1	Confident	92.3	Very high	93 Å²	93	49.3 Å²	49.3	50%	0.497	26%	0.256	S	S	.	.			trans	-98.5	129.1	-178.3	-176.2	-19.2	0	0	0	109.8	I130 G134 A135	I130-N132 HydrophobicContact CG2-CB 3.8Å; I130-N132 PolarHBondContact O-N 3.16Å; N132-G134 PolarHBondContact O-N 2.84Å; N132-G134 PolarHBondContact OD1-N 2.85Å; N132-A135 PolarHBondContact O-N 2.99Å
133	D	73.1	Confident	93.2	Very high	133 Å²	133	46 Å²	46	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-18.7	175.9	-70.7	-39.3	0	0	0	114.1	K136	D133-K136 WeakPolarHBondContact O-CE 3.28Å
134	G	86.3	Confident	93.8	Very high	7 Å²	7	42 Å²	42	7%	0.072	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.9	178.4	0	0	0	0	0	117.4	N132 H240 R243	N132-G134 PolarHBondContact O-N 2.84Å; N132-G134 PolarHBondContact OD1-N 2.85Å; G134-H240 PolarHBondContact O-ND1 2.67Å; G134-R243 VanDerWaalsContact CA-NH2 3.33Å; G134-R243 VanDerWaalsContact O-CB 3.23Å; G134-R243 WeakPolarHBondContact O-CB 3.41Å; G134-R243 WeakPolarHBondContact O-CD 3.35Å; G134-R243 PolarHBondContact O-NE 2.88Å
135	A	96.3	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.			trans	-128	95.9	-173	0	0	0	0	0	111.3	I130 N132 A143 I244 A247	I130-A135 HydrophobicContact CB-CB 4.46Å; I130-A135 HydrophobicContact CD1-CB 4.36Å; I130-A135 HydrophobicContact CG2-CB 4.08Å; N132-A135 PolarHBondContact O-N 2.99Å; A135-A143 HydrophobicContact CB-CB 4.47Å; A135-A143 PolarHBondContact O-N 3.34Å; A135-I244 HydrophobicContact CB-CG1 4.27Å; A135-A247 HydrophobicContact CB-CB 3.76Å
136	K	97.2	Very high	94	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.196	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-126.5	148.4	-171.8	-61.8	-175	179.1	-177.9	0	110.3	D133 S141 Y238 H240	D133-K136 WeakPolarHBondContact O-CE 3.28Å; K136-S141 CarbonylContact C-O 3.49Å; K136-S141 VanDerWaalsContact CA-O 3.28Å; K136-S141 WeakPolarHBondContact CA-O 3.22Å; K136-Y238 HydrophobicContact CB-CG 4.35Å; K136-Y238 HydrophobicContact CD-CD1 4.38Å; K136-Y238 HydrophobicContact CD-CD2 4.45Å; K136-Y238 HydrophobicContact CD-CE1 4.18Å; K136-Y238 HydrophobicContact CD-CE2 4.26Å; K136-Y238 HydrophobicContact CD-CG 4.49Å; K136-H240 PolarHBondContact N-ND1 2.86Å; K136-H240 VanDerWaalsContact N-ND1 3.2Å; K136-H240 WeakPolarHBondContact O-CB 3.36Å
137	C	97.9	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.			trans	-73.8	172.3	165.2	-63	0	0	0	0	110.7	D139 G140 S141 F185 C221	C137-D139 PolarHBondContact O-N 3.23Å; C137-G140 PolarHBondContact O-N 3.25Å; C137-S141 WeakPolarHBondContact CB-OG 3.4Å; C137-S141 PolarHBondContact N-O 2.85Å; C137-F185 WeakPolarHBondContact CB-O 3.33Å; C137-C221 CarbonylContact C-O 3.49Å; C137-C221 VanDerWaalsContact CA-O 3.3Å; C137-C221 WeakPolarHBondContact CA-O 3.29Å; C137-C221 WeakPolarHBondContact CA-SG 2.96Å; C137-C221 HydrophobicContact CB-CB 3.52Å; C137-C221 WeakPolarHBondContact CB-SG 3.34Å; C137-C221 WeakPolarHBondContact SG-CB 3.33Å; C137-C221 CovalentContact SG-SG 2.04Å; C137-C221 PolarHBondContact SG-SG 2.77Å
138	N	97.9	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.1	-176.7	-68.7	114	0	0	0	112.7	G140 F185 C221 S222 S223 F237 Y238	N138-G140 VanDerWaalsContact C-N 3.25Å; N138-G140 PolarHBondContact O-N 3.38Å; N138-F185 HydrophobicContact CB-CD1 3.85Å; N138-F185 HydrophobicContact CB-CD2 3.69Å; N138-F185 HydrophobicContact CB-CE1 3.66Å; N138-F185 HydrophobicContact CB-CE2 3.5Å; N138-F185 HydrophobicContact CB-CG 3.87Å; N138-F185 HydrophobicContact CB-CZ 3.5Å; N138-F185 PolarHBondContact N-O 3.26Å; N138-F185 VanDerWaalsContact N-O 3.16Å; N138-C221 PolarHBondContact N-O 3.27Å; N138-C221 PolarHBondContact OD1-O 3.32Å; N138-S222 PolarHBondContact ND2-O 3.35Å; N138-S222 WeakPolarHBondContact OD1-CA 3.3Å; N138-S222 PolarHBondContact OD1-O 3.34Å; N138-S223 VanDerWaalsContact OD1-CB 3.29Å; N138-S223 WeakPolarHBondContact OD1-CB 3.44Å; N138-S223 PolarHBondContact OD1-N 3.47Å; N138-S223 PolarHBondContact OD1-OG 3.13Å; N138-F237 WeakPolarHBondContact O-CA 3.48Å; N138-Y238 WeakPolarHBondContact CA-O 3.26Å; N138-Y238 PolarHBondContact ND2-O 3.18Å; N138-Y238 PolarHBondContact O-N 2.95Å
139	D	96.7	Very high	93.9	Very high	35 Å²	35	31.9 Å²	31.9	19%	0.187	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.9	178.6	80.5	-30.6	0	0	0	114.8	C137 S141 F185 S186 K188	C137-D139 PolarHBondContact O-N 3.23Å; D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 2.87Å; D139-S141 WeakPolarHBondContact OD1-CB 3.38Å; D139-S141 PolarHBondContact OD1-N 3.44Å; D139-S141 PolarHBondContact OD1-OG 3.04Å; D139-F185 HydrophobicContact CB-CD1 4.16Å; D139-F185 HydrophobicContact CB-CE1 4.1Å; D139-S186 VanDerWaalsContact CG-CB 3.43Å; D139-S186 VanDerWaalsContact CG-OG 3.23Å; D139-S186 PolarHBondContact OD1-OG 3.45Å; D139-S186 WeakPolarHBondContact OD2-CB 3.37Å; D139-S186 PolarHBondContact OD2-OG 3.2Å; D139-K188 WeakPolarHBondContact OD2-CD 3.38Å; D139-K188 WeakPolarHBondContact OD2-CE 3.47Å; D139-K188 IonicContact OD2-NZ 3.47Å; D139-K188 PolarHBondContact OD2-NZ 3.41Å
140	G	96	Very high	93.8	Very high	24 Å²	24	28.5 Å²	28.5	25%	0.247	16%	0.164	C	C	.	.	S	Bend	trans	84.8	-3.2	-178.9	0	0	0	0	0	115.6	C137 N138	C137-G140 PolarHBondContact O-N 3.25Å; N138-G140 VanDerWaalsContact C-N 3.25Å; N138-G140 PolarHBondContact O-N 3.38Å
141	S	96.8	Very high	93.5	Very high	18 Å²	18	34 Å²	34	13%	0.126	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.5	156.1	170.2	62.2	0	0	0	0	111.5	K136 C137 D139 A143 S186 S187	K136-S141 CarbonylContact C-O 3.49Å; K136-S141 VanDerWaalsContact CA-O 3.28Å; K136-S141 WeakPolarHBondContact CA-O 3.22Å; C137-S141 WeakPolarHBondContact CB-OG 3.4Å; C137-S141 PolarHBondContact N-O 2.85Å; D139-S141 VanDerWaalsContact C-N 3.35Å; D139-S141 PolarHBondContact O-N 2.87Å; D139-S141 WeakPolarHBondContact OD1-CB 3.38Å; D139-S141 PolarHBondContact OD1-N 3.44Å; D139-S141 PolarHBondContact OD1-OG 3.04Å; S141-A143 PolarHBondContact O-N 2.88Å; S141-S186 PolarHBondContact OG-OG 3.35Å; S141-S187 WeakPolarHBondContact CB-OG 3.48Å; S141-S187 PolarHBondContact OG-N 2.83Å; S141-S187 PolarHBondContact OG-OG 3.14Å; S141-S187 VanDerWaalsContact OG-OG 3.12Å
142	S	97.1	Very high	93.7	Very high	46 Å²	46	32.5 Å²	32.5	32%	0.322	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-68.6	127.6	-179	-66.1	0	0	0	0	110.5	S187	S142-S187 VanDerWaalsContact O-CB 3.28Å; S142-S187 WeakPolarHBondContact O-CB 3.39Å; S142-S187 PolarHBondContact O-OG 2.92Å
143	A	98.2	Very high	94.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-69.3	167.7	170.9	0	0	0	0	0	110.6	I130 A135 S141 I244	I130-A143 WeakPolarHBondContact CB-O 3.46Å; I130-A143 PolarHBondContact N-O 3.4Å; A135-A143 HydrophobicContact CB-CB 4.47Å; A135-A143 PolarHBondContact O-N 3.34Å; S141-A143 PolarHBondContact O-N 2.88Å; A143-I244 HydrophobicContact CB-CB 4.39Å; A143-I244 HydrophobicContact CB-CD1 3.7Å; A143-I244 HydrophobicContact CB-CG1 3.61Å; A143-I244 HydrophobicContact CB-CG2 3.94Å
144	G	97.8	Very high	95	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	-175.3	-175.8	0	0	0	0	0	113.5	Y128 P219	Y128-G144 CarbonylContact O-C 3.52Å; Y128-G144 WeakPolarHBondContact O-CA 3.43Å; G144-P219 WeakPolarHBondContact O-CD 3.5Å
145	Y	98.6	Very high	95.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	154.9	172.5	64.3	-79	0	0	0	109.9	Y128 I130 V216 F217 V248 N251 I252	Y128-Y145 HydrophobicContact CD2-CE2 4.1Å; Y128-Y145 HydrophobicContact CG-CE2 4.2Å; Y128-Y145 PolarHBondContact N-O 2.87Å; Y128-Y145 PolarHBondContact O-N 3.19Å; I130-Y145 HydrophobicContact CG1-CD1 4.49Å; Y145-V216 HydrophobicContact CD2-CG1 3.89Å; Y145-V216 HydrophobicContact CG-CG1 4.36Å; Y145-F217 CarbonylContact C-O 3.58Å; Y145-F217 WeakPolarHBondContact CA-O 3.39Å; Y145-V248 HydrophobicContact CD1-CB 4.47Å; Y145-V248 HydrophobicContact CD1-CG1 4.06Å; Y145-V248 HydrophobicContact CD1-CG2 3.99Å; Y145-V248 HydrophobicContact CG-CG1 4.03Å; Y145-V248 HydrophobicContact CG-CG2 4.39Å; Y145-N251 HydrophobicContact CE1-CB 4.06Å; Y145-N251 VanDerWaalsContact CE1-OD1 3.23Å; Y145-N251 WeakPolarHBondContact CE1-OD1 3.15Å; Y145-N251 PolarHBondContact OH-O 3.19Å; Y145-N251 PolarHBondContact OH-OD1 3.24Å; Y145-I252 HydrophobicContact CE2-CG1 4.09Å
146	Y	98.6	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.5	171.1	-74.8	-89.9	0	0	0	108.9	H125 K126 L127 P191 R194 V216 F217 P219	H125-Y146 HydrophobicContact CB-CD1 4.39Å; H125-Y146 HydrophobicContact CB-CG 4.49Å; H125-Y146 WeakPolarHBondContact O-CD1 3.31Å; K126-Y146 CarbonylContact O-C 3.39Å; K126-Y146 VanDerWaalsContact O-CA 3.26Å; K126-Y146 WeakPolarHBondContact O-CA 3.29Å; L127-Y146 HydrophobicContact CB-CD1 4.01Å; L127-Y146 HydrophobicContact CB-CE1 3.63Å; L127-Y146 HydrophobicContact CD1-CD2 4.19Å; L127-Y146 HydrophobicContact CD1-CE1 4.21Å; L127-Y146 HydrophobicContact CD1-CE2 3.85Å; L127-Y146 HydrophobicContact CG-CE1 4.41Å; Y146-P191 WeakPolarHBondContact CE1-O 3.44Å; Y146-P191 VanDerWaalsContact CZ-O 3.3Å; Y146-P191 VanDerWaalsContact OH-CD 3.31Å; Y146-P191 WeakPolarHBondContact OH-CD 3.28Å; Y146-P191 PolarHBondContact OH-O 2.96Å; Y146-R194 HydrophobicContact CD1-CB 4.06Å; Y146-R194 HydrophobicContact CD1-CG 4.12Å; Y146-R194 HydrophobicContact CE1-CB 4.02Å; Y146-R194 HydrophobicContact CE1-CG 3.6Å; Y146-R194 HydrophobicContact CE2-CG 4.36Å; Y146-V216 CarbonylContact O-C 3.55Å; Y146-V216 VanDerWaalsContact O-CA 3.28Å; Y146-V216 WeakPolarHBondContact O-CA 3.2Å; Y146-F217 AromaticContact CD2-CD1 3.89Å; Y146-F217 HydrophobicContact CD2-CD1 3.89Å; Y146-F217 HydrophobicContact CD2-CE1 4.45Å; Y146-F217 HydrophobicContact CG-CD1 4.48Å; Y146-F217 PolarHBondContact N-O 2.91Å; Y146-F217 PolarHBondContact O-N 3.12Å; Y146-P219 HydrophobicContact CD2-CG 3.55Å; Y146-P219 HydrophobicContact CE2-CG 3.51Å
147	Y	98.3	Very high	95.4	Very high	5 Å²	5	39 Å²	39	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.3	-178.9	167.9	-118.9	0	0	0	111.6	H125 K126 Y128 P149 W158 H214 S215 V216 P253 N256	H125-Y147 WeakPolarHBondContact CA-O 3.31Å; K126-Y147 PolarHBondContact N-O 3.04Å; K126-Y147 PolarHBondContact O-N 3.3Å; Y128-Y147 AromaticContact CE2-CD1 3.95Å; Y128-Y147 HydrophobicContact CE2-CD1 3.95Å; Y128-Y147 HydrophobicContact CE2-CG 4.39Å; Y147-P149 HydrophobicContact CE1-CB 4.14Å; Y147-P149 WeakPolarHBondContact OH-CA 3.34Å; Y147-P149 WeakPolarHBondContact OH-CB 3.42Å; Y147-W158 HydrophobicContact CD2-CZ3 4.27Å; Y147-W158 HydrophobicContact CE2-CE3 4.43Å; Y147-W158 HydrophobicContact CE2-CH2 4.1Å; Y147-W158 AromaticContact CE2-CZ3 3.55Å; Y147-W158 HydrophobicContact CE2-CZ3 3.55Å; Y147-H214 HydrophobicContact CE2-CB 4.17Å; Y147-H214 PolarHBondContact OH-ND1 2.87Å; Y147-H214 VanDerWaalsContact OH-ND1 3.12Å; Y147-S215 WeakPolarHBondContact CA-O 3.47Å; Y147-V216 HydrophobicContact CD2-CG2 3.78Å; Y147-P253 HydrophobicContact CD1-CG 4.11Å; Y147-P253 HydrophobicContact CE1-CG 3.68Å; Y147-N256 WeakPolarHBondContact CE1-ND2 3.23Å; Y147-N256 PolarHBondContact OH-ND2 2.92Å
148	R	96.7	Very high	95.5	Very high	5 Å²	5	39 Å²	39	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.6	170.3	-179.8	177.1	65.8	77.1	-6.1	108.2	Y122 H125 L200 H211 S215	Y122-R148 WeakPolarHBondContact O-CD 3.23Å; H125-R148 HydrophobicContact CB-CB 4.27Å; R148-L200 PolarHBondContact NH2-O 3.31Å; R148-H211 PolarHBondContact NH1-O 3.11Å; R148-H211 VanDerWaalsContact NH1-O 3.14Å; R148-H211 PolarHBondContact NH2-O 3.49Å; R148-S215 PolarHBondContact N-O 3.31Å; R148-S215 PolarHBondContact O-N 3.45Å
149	P	95.6	Very high	95.5	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	20%	0.201	C	C	.	.			trans	-65.9	150.6	175.9	28.8	-34.2	0	0	0	110.8	Q121 Y122 Y147	Q121-P149 HydrophobicContact CG-CG 4.3Å; Y122-P149 HydrophobicContact CD1-CG 4.4Å; Y122-P149 HydrophobicContact CE1-CG 4.32Å; Y147-P149 HydrophobicContact CE1-CB 4.14Å; Y147-P149 WeakPolarHBondContact OH-CA 3.34Å; Y147-P149 WeakPolarHBondContact OH-CB 3.42Å
150	A	94.7	Very high	95.6	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	19%	0.192	C	C	.	.			trans	-57.8	148.8	165	0	0	0	0	0	110.7	Y152 V155 E212 H214	A150-Y152 VanDerWaalsContact C-N 3.27Å; A150-Y152 PolarHBondContact O-N 3.41Å; A150-V155 HydrophobicContact CB-CB 3.56Å; A150-V155 HydrophobicContact CB-CG1 3.76Å; A150-V155 HydrophobicContact CB-CG2 3.99Å; A150-E212 WeakPolarHBondContact CB-O 3.42Å; A150-H214 PolarHBondContact N-CE1 2.88Å; A150-H214 PolarHBondContact N-ND1 3.34Å
151	K	89.8	Confident	95.7	Very high	121 Å²	121	36.4 Å²	36.4	53%	0.526	18%	0.181	S	C	.	.	S	Bend	trans	-62.3	-34.7	179.2	-173	-179.6	177.9	-168.3	0	112.6	Y122	Y122-K151 HydrophobicContact CD1-CB 4.36Å
152	Y	89.2	Confident	95.8	Very high	116 Å²	116	35.6 Å²	35.6	46%	0.455	18%	0.175	S	C	.	.	S	Bend	trans	-118.1	135.7	-178.6	-54.3	-74.2	0	0	0	110.5	A150 S154 V155	A150-Y152 VanDerWaalsContact C-N 3.27Å; A150-Y152 PolarHBondContact O-N 3.41Å; Y152-S154 PolarHBondContact O-N 3Å; Y152-V155 WeakPolarHBondContact O-CB 3.32Å; Y152-V155 WeakPolarHBondContact O-CG2 3.32Å; Y152-V155 PolarHBondContact O-N 3.43Å
153	K	85.7	Confident	95.9	Very high	178 Å²	178	35.2 Å²	35.2	77%	0.774	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	177.4	-68.1	-174.1	177.5	-178.8	0	113.9	V155	K153-V155 PolarHBondContact O-N 3.06Å
154	S	90	Very high	95.9	Very high	99 Å²	99	35.4 Å²	35.4	69%	0.692	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.7	174.2	53.2	0	0	0	0	113	Y152 N156	Y152-S154 PolarHBondContact O-N 3Å; S154-N156 PolarHBondContact O-N 3.37Å
155	V	94.9	Very high	95.9	Very high	20 Å²	20	36 Å²	36	12%	0.121	18%	0.177	C	C	.	.			trans	-70	118.7	176.7	177.8	0	0	0	0	109.5	A150 Y152 K153 H214	A150-V155 HydrophobicContact CB-CB 3.56Å; A150-V155 HydrophobicContact CB-CG1 3.76Å; A150-V155 HydrophobicContact CB-CG2 3.99Å; Y152-V155 WeakPolarHBondContact O-CB 3.32Å; Y152-V155 WeakPolarHBondContact O-CG2 3.32Å; Y152-V155 PolarHBondContact O-N 3.43Å; K153-V155 PolarHBondContact O-N 3.06Å; V155-H214 PolarHBondContact O-NE2 3.45Å; V155-H214 VanDerWaalsContact O-NE2 3.11Å
156	N	96.2	Very high	95.8	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	19%	0.186	C	C	.	.			trans	-109	17.2	-175.2	58.7	9.6	0	0	0	112.9	S154 Y259 T260 E261 K262	S154-N156 PolarHBondContact O-N 3.37Å; N156-Y259 VanDerWaalsContact CA-O 3.26Å; N156-Y259 WeakPolarHBondContact CA-O 3.42Å; N156-Y259 WeakPolarHBondContact CB-O 3.42Å; N156-T260 CarbonylContact O-C 3.51Å; N156-E261 HydrophobicContact CB-CB 4.31Å; N156-E261 HydrophobicContact CB-CG 4.37Å; N156-E261 WeakPolarHBondContact ND2-CG 3.29Å; N156-E261 PolarHBondContact ND2-OE2 3.35Å; N156-E261 PolarHBondContact O-N 3.29Å; N156-K262 PolarHBondContact O-N 3.19Å
157	R	97.6	Very high	95.7	Very high	88 Å²	88	39.4 Å²	39.4	33%	0.332	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.8	-174.1	-52.8	-170.6	173.8	112.1	-6.6	111.7	F213 H214 K262 E455	R157-F213 HydrophobicContact CB-CD1 3.66Å; R157-F213 HydrophobicContact CB-CD2 4.09Å; R157-F213 HydrophobicContact CB-CE1 3.52Å; R157-F213 HydrophobicContact CB-CE2 3.96Å; R157-F213 HydrophobicContact CB-CG 3.95Å; R157-F213 HydrophobicContact CB-CZ 3.68Å; R157-F213 HydrophobicContact CG-CE1 4.39Å; R157-F213 HydrophobicContact CG-CE2 4.45Å; R157-F213 HydrophobicContact CG-CZ 4.16Å; R157-H214 PolarHBondContact O-N 3.06Å; R157-K262 WeakPolarHBondContact CA-O 3.42Å; R157-K262 HydrophobicContact CG-CB 4.25Å; R157-E455 IonicContact NE-OE1 3.6Å; R157-E455 IonicContact NH2-OE1 2.98Å
158	W	98.5	Very high	95.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.3	-177.4	-59.7	72.1	0	0	0	111.4	Y147 H214 V216 I252 W254 A257 T260 K262 V263 I264	Y147-W158 HydrophobicContact CD2-CZ3 4.27Å; Y147-W158 HydrophobicContact CE2-CE3 4.43Å; Y147-W158 HydrophobicContact CE2-CH2 4.1Å; Y147-W158 AromaticContact CE2-CZ3 3.55Å; Y147-W158 HydrophobicContact CE2-CZ3 3.55Å; W158-H214 CarbonylContact C-O 3.54Å; W158-H214 WeakPolarHBondContact CA-O 3.43Å; W158-H214 HydrophobicContact CB-CB 4.45Å; W158-H214 HydrophobicContact CD2-CB 3.43Å; W158-H214 VanDerWaalsContact CD2-CB 3.43Å; W158-H214 AromaticContact CD2-CG 3.93Å; W158-H214 AromaticContact CE2-CD2 3.75Å; W158-H214 AromaticContact CE2-CG 3.86Å; W158-H214 HydrophobicContact CE3-CB 3.3Å; W158-H214 HydrophobicContact CG-CB 3.97Å; W158-H214 HydrophobicContact CH2-CB 4.09Å; W158-H214 AromaticContact CH2-CG 3.96Å; W158-H214 HydrophobicContact CZ2-CB 4.22Å; W158-H214 AromaticContact CZ2-CD2 3.93Å; W158-H214 AromaticContact CZ2-CG 3.88Å; W158-H214 HydrophobicContact CZ3-CB 3.65Å; W158-H214 AromaticContact NE1-CD2 3.99Å; W158-V216 HydrophobicContact CE3-CG2 4.33Å; W158-V216 HydrophobicContact CZ3-CG2 4.45Å; W158-I252 HydrophobicContact CE3-CG2 4.02Å; W158-I252 HydrophobicContact CH2-CG2 3.85Å; W158-I252 HydrophobicContact CZ3-CG2 3.44Å; W158-I252 VanDerWaalsContact CZ3-CG2 3.44Å; W158-W254 HydrophobicContact CB-CZ3 4.31Å; W158-W254 AromaticContact CD1-CZ3 3.9Å; W158-W254 AromaticContact CD2-CE3 3.85Å; W158-W254 HydrophobicContact CD2-CE3 3.85Å; W158-W254 AromaticContact CD2-CZ3 3.54Å; W158-W254 HydrophobicContact CD2-CZ3 3.54Å; W158-W254 AromaticContact CE2-CE3 3.6Å; W158-W254 AromaticContact CE2-CZ3 3.79Å; W158-W254 HydrophobicContact CE3-CE3 4.29Å; W158-W254 AromaticContact CE3-CZ3 3.97Å; W158-W254 HydrophobicContact CE3-CZ3 3.97Å; W158-W254 HydrophobicContact CG-CE3 4.31Å; W158-W254 AromaticContact CG-CZ3 3.68Å; W158-W254 HydrophobicContact CG-CZ3 3.68Å; W158-W254 HydrophobicContact CH2-CE3 4.35Å; W158-W254 AromaticContact CZ2-CE3 3.88Å; W158-W254 HydrophobicContact CZ2-CE3 3.88Å; W158-W254 HydrophobicContact CZ2-CZ3 4.43Å; W158-W254 AromaticContact NE1-CE3 3.82Å; W158-W254 AromaticContact NE1-CZ3 3.93Å; W158-A257 HydrophobicContact CZ2-CB 4.06Å; W158-T260 PolarHBondContact NE1-OG1 2.8Å; W158-K262 PolarHBondContact N-O 3.14Å; W158-V263 HydrophobicContact CB-CG1 4.45Å; W158-V263 HydrophobicContact CB-CG2 4.08Å; W158-V263 HydrophobicContact CG-CG2 4.34Å; W158-I264 PolarHBondContact O-N 2.9Å
159	L	98.7	Very high	95.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.4	168.8	175.7	63.6	0	0	0	108.2	I199 L200 Y210 F213 H214 V216 I264 A266	L159-I199 HydrophobicContact CD2-CD1 4.49Å; L159-I199 HydrophobicContact CD2-CG1 4.06Å; L159-I199 VanDerWaalsContact CD2-O 3.25Å; L159-I199 WeakPolarHBondContact CD2-O 3.39Å; L159-L200 HydrophobicContact CD2-CD2 4.01Å; L159-L200 HydrophobicContact CG-CD2 4.4Å; L159-Y210 HydrophobicContact CD2-CG 4.39Å; L159-F213 HydrophobicContact CB-CB 4.41Å; L159-F213 HydrophobicContact CB-CD1 4.21Å; L159-H214 PolarHBondContact N-O 3.46Å; L159-V216 PolarHBondContact O-N 3.41Å; L159-I264 HydrophobicContact CD1-CB 4Å; L159-I264 HydrophobicContact CD1-CG2 3.92Å; L159-A266 HydrophobicContact CD1-CB 3.78Å
160	I	98.9	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.9	175.4	-57.9	177.6	0	0	0	107.8	V216 I218 I249 I252 W254 V263 I264 F265 A266	I160-V216 CarbonylContact C-O 3.08Å; I160-V216 WeakPolarHBondContact CA-O 3.48Å; I160-V216 HydrophobicContact CB-CB 4.41Å; I160-V216 HydrophobicContact CG1-CB 4.05Å; I160-V216 HydrophobicContact CG1-CG2 4.42Å; I160-V216 HydrophobicContact CG2-CB 4.38Å; I160-V216 HydrophobicContact CG2-CG1 4.16Å; I160-I218 HydrophobicContact CG2-CD1 3.71Å; I160-I218 HydrophobicContact CG2-CG1 4.16Å; I160-I249 HydrophobicContact CD1-CD1 3.85Å; I160-I252 HydrophobicContact CD1-CD1 3.73Å; I160-I252 HydrophobicContact CG1-CD1 4.37Å; I160-W254 HydrophobicContact CD1-CH2 3.9Å; I160-W254 HydrophobicContact CD1-CZ2 4.46Å; I160-V263 HydrophobicContact CD1-CG1 3.8Å; I160-V263 HydrophobicContact CG1-CG1 4.26Å; I160-I264 PolarHBondContact N-O 3.04Å; I160-F265 HydrophobicContact CB-CD1 4.03Å; I160-F265 HydrophobicContact CB-CE1 4.18Å; I160-F265 HydrophobicContact CD1-CD1 4.36Å; I160-F265 HydrophobicContact CD1-CE1 3.68Å; I160-F265 HydrophobicContact CD1-CZ 4.06Å; I160-F265 HydrophobicContact CG1-CE1 4.49Å; I160-F265 HydrophobicContact CG2-CD1 4.11Å; I160-F265 HydrophobicContact CG2-CE1 4.17Å; I160-F265 CarbonylContact O-C 3.49Å; I160-F265 WeakPolarHBondContact O-CA 3.31Å; I160-A266 PolarHBondContact O-N 3.36Å
161	F	98.9	Very high	95.7	Very high	3 Å²	3	44 Å²	44	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.3	-175.9	-166.9	-77.8	0	0	0	111.7	I199 L200 V216 F217 I218 A266 S268 T429	F161-I199 HydrophobicContact CD2-CG2 3.82Å; F161-I199 HydrophobicContact CE2-CG2 3.77Å; F161-L200 HydrophobicContact CB-CD1 3.91Å; F161-L200 HydrophobicContact CB-CD2 3.74Å; F161-L200 HydrophobicContact CB-CG 4.23Å; F161-L200 HydrophobicContact CD1-CD1 4.07Å; F161-L200 HydrophobicContact CD2-CD1 4.29Å; F161-L200 HydrophobicContact CD2-CG 4.4Å; F161-L200 HydrophobicContact CG-CD1 3.83Å; F161-L200 HydrophobicContact CG-CD2 4.34Å; F161-L200 HydrophobicContact CG-CG 4.31Å; F161-V216 PolarHBondContact N-O 3.12Å; F161-F217 HydrophobicContact CB-CD2 4.49Å; F161-F217 AromaticContact CD1-CD2 3.92Å; F161-F217 HydrophobicContact CD1-CD2 3.92Å; F161-F217 HydrophobicContact CD1-CE2 4.1Å; F161-I218 PolarHBondContact O-N 3.44Å; F161-A266 CarbonylContact C-O 3.59Å; F161-A266 VanDerWaalsContact CA-O 3.26Å; F161-A266 WeakPolarHBondContact CA-O 3.38Å; F161-A266 HydrophobicContact CD2-CB 3.6Å; F161-A266 HydrophobicContact CE2-CB 4.16Å; F161-A266 HydrophobicContact CG-CB 4.42Å; F161-S268 WeakPolarHBondContact CZ-OG 3.18Å; F161-T429 HydrophobicContact CE1-CG2 3.84Å; F161-T429 HydrophobicContact CE2-CG2 4.14Å; F161-T429 HydrophobicContact CZ-CG2 3.38Å
162	L	98.9	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123	176.9	-53	-170.2	0	0	0	110	I218 W226 L245 A266 G267 S268 G271 V275	L162-I218 HydrophobicContact CD2-CB 4.07Å; L162-I218 HydrophobicContact CD2-CD1 3.64Å; L162-I218 HydrophobicContact CD2-CG1 4.11Å; L162-W226 HydrophobicContact CB-CZ2 4.19Å; L162-L245 HydrophobicContact CD1-CD1 4.04Å; L162-L245 HydrophobicContact CD1-CD2 4.09Å; L162-L245 HydrophobicContact CD2-CD2 3.39Å; L162-L245 HydrophobicContact CG-CD2 4.4Å; L162-A266 PolarHBondContact N-O 3.34Å; L162-G267 VanDerWaalsContact O-CA 3.29Å; L162-G267 WeakPolarHBondContact O-CA 3.25Å; L162-S268 PolarHBondContact O-N 3.25Å; L162-G271 WeakPolarHBondContact CD1-O 3.39Å; L162-G271 WeakPolarHBondContact O-CA 3.23Å; L162-V275 HydrophobicContact CD1-CG2 3.84Å; L162-V275 HydrophobicContact CG-CG2 4.19Å
163	E	98.8	Very high	96.3	Very high	39 Å²	39	39.8 Å²	39.8	18%	0.182	20%	0.196	C	C	.	.			trans	-65.6	144.7	176.9	-167.9	175.8	-139.7	0	0	111.8	L184 R194 F217 I218 P219 Y220 W226 G271	E163-L184 HydrophobicContact CG-CD2 4.41Å; E163-R194 IonicContact OE1-NH1 3.53Å; E163-F217 HydrophobicContact CB-CE2 3.9Å; E163-F217 HydrophobicContact CB-CZ 3.67Å; E163-F217 VanDerWaalsContact CD-CZ 3.48Å; E163-F217 HydrophobicContact CG-CE2 4.17Å; E163-F217 HydrophobicContact CG-CZ 3.71Å; E163-F217 WeakPolarHBondContact OE1-CZ 3.27Å; E163-I218 PolarHBondContact N-O 2.95Å; E163-P219 WeakPolarHBondContact OE2-CA 3.36Å; E163-P219 WeakPolarHBondContact OE2-CB 3.46Å; E163-Y220 PolarHBondContact OE2-N 3.31Å; E163-W226 PolarHBondContact O-NE1 3.03Å; E163-W226 VanDerWaalsContact O-NE1 3.16Å; E163-G271 VanDerWaalsContact O-CA 3.29Å; E163-G271 WeakPolarHBondContact O-CA 3.41Å; E163-G271 PolarHBondContact O-N 3.33Å
164	G	98.3	Very high	96.8	Very high	4 Å²	4	31.3 Å²	31.3	4%	0.041	16%	0.159	C	C	.	.			trans	-82.2	-163.8	171.8	0	0	0	0	0	112.9	Y220 S268	G164-Y220 WeakPolarHBondContact O-CD1 3.36Å; G164-S268 WeakPolarHBondContact CA-O 3.4Å; G164-S268 PolarHBondContact N-O 3.38Å
165	G	96.7	Very high	97.1	Very high	14 Å²	14	30.9 Å²	30.9	14%	0.144	15%	0.148	C	C	.	.			trans	116.6	48.5	173.1	0	0	0	0	0	115.7	R177	G165-R177 VanDerWaalsContact O-CZ 3.23Å; G165-R177 PolarHBondContact O-NH1 2.87Å; G165-R177 PolarHBondContact O-NH2 3.19Å
166	W	95.9	Very high	97.1	Very high	52 Å²	52	33.7 Å²	33.7	20%	0.197	16%	0.162	C	C	.	.			trans	57.1	-149.8	168.5	-62.1	87.3	0	0	0	114.7	Y220 A319 F320 A379 Q382	W166-Y220 WeakPolarHBondContact O-CE1 3.3Å; W166-Y220 PolarHBondContact O-OH 3.34Å; W166-A319 HydrophobicContact CE3-CB 4.42Å; W166-A319 VanDerWaalsContact CZ3-O 3.29Å; W166-A319 WeakPolarHBondContact CZ3-O 3.36Å; W166-F320 HydrophobicContact CB-CE1 3.96Å; W166-F320 AromaticContact CD1-CD1 3.88Å; W166-F320 AromaticContact CD1-CE1 3.39Å; W166-F320 AromaticContact CD2-CD1 3.36Å; W166-F320 HydrophobicContact CD2-CD1 3.36Å; W166-F320 AromaticContact CD2-CE1 3.58Å; W166-F320 HydrophobicContact CD2-CE1 3.58Å; W166-F320 HydrophobicContact CD2-CG 4.43Å; W166-F320 AromaticContact CE2-CD1 3.35Å; W166-F320 AromaticContact CE2-CE1 3.74Å; W166-F320 AromaticContact CE3-CD1 3.79Å; W166-F320 HydrophobicContact CE3-CD1 3.79Å; W166-F320 HydrophobicContact CE3-CE1 4.33Å; W166-F320 HydrophobicContact CE3-CG 4.49Å; W166-F320 AromaticContact CG-CD1 3.72Å; W166-F320 HydrophobicContact CG-CD1 3.72Å; W166-F320 AromaticContact CG-CE1 3.37Å; W166-F320 HydrophobicContact CG-CE1 3.37Å; W166-F320 HydrophobicContact CG-CZ 4.38Å; W166-F320 HydrophobicContact CH2-CB 4.34Å; W166-F320 HydrophobicContact CH2-CD1 4.15Å; W166-F320 AromaticContact CZ2-CD1 3.76Å; W166-F320 HydrophobicContact CZ2-CD1 3.76Å; W166-F320 HydrophobicContact CZ3-CB 4.4Å; W166-F320 HydrophobicContact CZ3-CD1 4.17Å; W166-F320 AromaticContact NE1-CD1 3.65Å; W166-F320 AromaticContact NE1-CE1 3.59Å; W166-A379 HydrophobicContact CH2-CB 4.05Å; W166-A379 HydrophobicContact CZ2-CB 3.78Å; W166-Q382 HydrophobicContact CH2-CG 4.4Å
167	Y	97.6	Very high	97.1	Very high	21 Å²	21	33 Å²	33	8%	0.082	16%	0.158	C	C	.	.			trans	-163.3	175	-177.9	53.8	-89.2	0	0	0	110.4	F169 S223 L225 A319 W335	Y167-F169 HydrophobicContact CD2-CB 4.5Å; Y167-F169 HydrophobicContact CD2-CD1 4.25Å; Y167-F169 AromaticContact CE2-CD1 3.92Å; Y167-F169 HydrophobicContact CE2-CD1 3.92Å; Y167-S223 WeakPolarHBondContact CA-O 3.44Å; Y167-S223 VanDerWaalsContact CB-O 3.25Å; Y167-S223 WeakPolarHBondContact CB-O 3.49Å; Y167-L225 HydrophobicContact CD1-CD1 3.92Å; Y167-L225 HydrophobicContact CD1-CD2 3.63Å; Y167-L225 HydrophobicContact CD1-CG 3.87Å; Y167-L225 HydrophobicContact CE1-CD1 4.15Å; Y167-L225 HydrophobicContact CE1-CD2 4.37Å; Y167-L225 HydrophobicContact CG-CD1 4.41Å; Y167-L225 HydrophobicContact CG-CD2 4.33Å; Y167-L225 HydrophobicContact CG-CG 4.21Å; Y167-A319 HydrophobicContact CD2-CB 4.1Å; Y167-A319 HydrophobicContact CE2-CB 4.11Å; Y167-A319 HydrophobicContact CG-CB 4.45Å; Y167-A319 WeakPolarHBondContact O-CB 3.48Å; Y167-W335 AromaticContact CD2-CH2 3.64Å; Y167-W335 HydrophobicContact CD2-CH2 3.64Å; Y167-W335 AromaticContact CD2-CZ2 3.51Å; Y167-W335 HydrophobicContact CD2-CZ2 3.51Å; Y167-W335 HydrophobicContact CE2-CH2 4.11Å; Y167-W335 HydrophobicContact CE2-CZ2 4.29Å; Y167-W335 AromaticContact CG-CH2 3.94Å; Y167-W335 HydrophobicContact CG-CH2 3.94Å; Y167-W335 AromaticContact CG-CZ2 3.94Å; Y167-W335 HydrophobicContact CG-CZ2 3.94Å
168	C	97.5	Very high	97	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.158	C	C	.	.			trans	-127.8	150	164.4	61.4	0	0	0	0	108.4	C174 R177 S223 W335	C168-C174 HydrophobicContact CB-CB 3.87Å; C168-C174 WeakPolarHBondContact CB-SG 3.4Å; C168-C174 WeakPolarHBondContact SG-CA 3.49Å; C168-C174 WeakPolarHBondContact SG-CB 3.34Å; C168-C174 CovalentContact SG-SG 2.04Å; C168-C174 PolarHBondContact SG-SG 3.46Å; C168-R177 HydrophobicContact CB-CB 4.36Å; C168-S223 PolarHBondContact N-O 3.38Å; C168-S223 VanDerWaalsContact SG-CB 3.57Å; C168-W335 WeakPolarHBondContact O-CZ2 3.07Å; C168-W335 PolarHBondContact O-NE1 3.15Å
169	F	95.9	Very high	96.8	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	19%	0.186	C	C	.	.			trans	-124.1	-2.2	-167.3	51.6	-110.6	0	0	0	114.9	Y167 T173 A319 C322 G327 R330 W335	Y167-F169 HydrophobicContact CD2-CB 4.5Å; Y167-F169 HydrophobicContact CD2-CD1 4.25Å; Y167-F169 AromaticContact CE2-CD1 3.92Å; Y167-F169 HydrophobicContact CE2-CD1 3.92Å; F169-T173 HydrophobicContact CD2-CG2 4.2Å; F169-T173 HydrophobicContact CE1-CG2 4.07Å; F169-T173 HydrophobicContact CE2-CG2 3.52Å; F169-T173 HydrophobicContact CZ-CG2 3.49Å; F169-T173 VanDerWaalsContact CZ-CG2 3.49Å; F169-T173 PolarHBondContact N-OG1 3.09Å; F169-A319 HydrophobicContact CD1-CB 4.41Å; F169-A319 HydrophobicContact CE1-CB 4.28Å; F169-C322 HydrophobicContact CE1-CB 4.28Å; F169-C322 WeakPolarHBondContact CE1-SG 3.43Å; F169-C322 WeakPolarHBondContact CZ-SG 3.39Å; F169-G327 VanDerWaalsContact CB-O 3.3Å; F169-G327 WeakPolarHBondContact CB-O 3.41Å; F169-R330 HydrophobicContact CB-CB 4.16Å; F169-R330 HydrophobicContact CD2-CB 4.22Å; F169-R330 VanDerWaalsContact CE2-NH2 3.27Å; F169-R330 HydrophobicContact CG-CB 4.4Å; F169-W335 HydrophobicContact CB-CZ2 4.41Å
170	D	95.4	Very high	96.5	Very high	34 Å²	34	42.7 Å²	42.7	18%	0.182	22%	0.22	C	C	.	.	S	Bend	trans	-159.9	-179.5	174.3	54	27	0	0	0	110.4	T173 C174 R330	D170-T173 PolarHBondContact N-OG1 3.13Å; D170-T173 VanDerWaalsContact N-OG1 3.15Å; D170-T173 PolarHBondContact O-OG1 3.4Å; D170-T173 VanDerWaalsContact OD1-CB 3.31Å; D170-T173 WeakPolarHBondContact OD1-CB 3.49Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.36Å; D170-T173 PolarHBondContact OD1-N 3.35Å; D170-T173 PolarHBondContact OD1-OG1 3.34Å; D170-C174 WeakPolarHBondContact O-CB 3.41Å; D170-C174 PolarHBondContact O-N 3.32Å; D170-C174 PolarHBondContact O-SG 2.78Å; D170-R330 IonicContact OD2-CZ 2.77Å; D170-R330 IonicContact OD2-NE 2.95Å; D170-R330 IonicContact OD2-NH2 3.81Å; D170-R330 PolarHBondContact OD2-NH2 2.88Å
171	E	95.9	Very high	96.3	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-59.2	-50.1	-177.1	-175.5	166.5	-151.7	0	0	112.7	T173 C174 I175 F237	E171-T173 PolarHBondContact O-N 3.06Å; E171-C174 PolarHBondContact O-N 3.05Å; E171-C174 VanDerWaalsContact O-N 3.16Å; E171-I175 HydrophobicContact CG-CD1 3.92Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å; E171-I175 PolarHBondContact O-N 2.82Å; E171-F237 HydrophobicContact CG-CE2 4.36Å
172	E	95.1	Very high	96.2	Very high	138 Å²	138	47 Å²	47	65%	0.645	24%	0.243	S	C	*	.	H	α-helix	trans	-58.4	-49.1	-179.9	-175.2	-179.6	-179	0	0	111.7	C174 I175 L176	E172-C174 VanDerWaalsContact C-N 3.29Å; E172-C174 PolarHBondContact O-N 3.49Å; E172-I175 PolarHBondContact O-N 3.46Å; E172-L176 HydrophobicContact CG-CD1 4.49Å; E172-L176 WeakPolarHBondContact O-CG 2.88Å; E172-L176 PolarHBondContact O-N 2.9Å
173	T	96.1	Very high	96.1	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-27.2	179.4	56.6	0	0	0	0	113.3	F169 D170 E171 R177 I317	F169-T173 HydrophobicContact CD2-CG2 4.2Å; F169-T173 HydrophobicContact CE1-CG2 4.07Å; F169-T173 HydrophobicContact CE2-CG2 3.52Å; F169-T173 HydrophobicContact CZ-CG2 3.49Å; F169-T173 VanDerWaalsContact CZ-CG2 3.49Å; F169-T173 PolarHBondContact N-OG1 3.09Å; D170-T173 PolarHBondContact N-OG1 3.13Å; D170-T173 VanDerWaalsContact N-OG1 3.15Å; D170-T173 PolarHBondContact O-OG1 3.4Å; D170-T173 VanDerWaalsContact OD1-CB 3.31Å; D170-T173 WeakPolarHBondContact OD1-CB 3.49Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.36Å; D170-T173 PolarHBondContact OD1-N 3.35Å; D170-T173 PolarHBondContact OD1-OG1 3.34Å; E171-T173 PolarHBondContact O-N 3.06Å; T173-R177 WeakPolarHBondContact O-CB 3.26Å; T173-R177 PolarHBondContact O-N 3.24Å; T173-R177 VanDerWaalsContact O-N 3.09Å; T173-I317 WeakPolarHBondContact CG2-O 3.07Å
174	C	97.2	Very high	96	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-76.9	-37.1	175.3	-66.7	0	0	0	0	112.2	C168 D170 E171 E172 R177 E178 F185 F237	C168-C174 HydrophobicContact CB-CB 3.87Å; C168-C174 WeakPolarHBondContact CB-SG 3.4Å; C168-C174 WeakPolarHBondContact SG-CA 3.49Å; C168-C174 WeakPolarHBondContact SG-CB 3.34Å; C168-C174 CovalentContact SG-SG 2.04Å; C168-C174 PolarHBondContact SG-SG 3.46Å; D170-C174 WeakPolarHBondContact O-CB 3.41Å; D170-C174 PolarHBondContact O-N 3.32Å; D170-C174 PolarHBondContact O-SG 2.78Å; E171-C174 PolarHBondContact O-N 3.05Å; E171-C174 VanDerWaalsContact O-N 3.16Å; E172-C174 VanDerWaalsContact C-N 3.29Å; E172-C174 PolarHBondContact O-N 3.49Å; C174-R177 WeakPolarHBondContact O-CB 3.3Å; C174-R177 PolarHBondContact O-N 2.89Å; C174-R177 VanDerWaalsContact O-N 3.17Å; C174-E178 PolarHBondContact O-N 3.02Å; C174-F185 HydrophobicContact CB-CE2 4.44Å; C174-F185 WeakPolarHBondContact O-CE2 3.33Å; C174-F237 HydrophobicContact CB-CD2 3.71Å; C174-F237 HydrophobicContact CB-CE2 3.53Å; C174-F237 HydrophobicContact CB-CG 4.33Å; C174-F237 HydrophobicContact CB-CZ 4.02Å
175	I	96	Very high	96	Very high	90 Å²	90	49.2 Å²	49.2	46%	0.462	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-47.4	171.5	-68.9	168.2	0	0	0	110.1	E171 E172 R177 E178 S179 F237	E171-I175 HydrophobicContact CG-CD1 3.92Å; E171-I175 WeakPolarHBondContact O-CG1 3.39Å; E171-I175 PolarHBondContact O-N 2.82Å; E172-I175 PolarHBondContact O-N 3.46Å; I175-R177 PolarHBondContact O-N 3.18Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 3.19Å; I175-S179 PolarHBondContact O-N 3.22Å; I175-F237 HydrophobicContact CG1-CZ 3.9Å
176	L	94.9	Very high	96.1	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-33.7	175.7	-70.8	172.8	0	0	0	112.6	E172 S179 N180	E172-L176 HydrophobicContact CG-CD1 4.49Å; E172-L176 WeakPolarHBondContact O-CG 2.88Å; E172-L176 PolarHBondContact O-N 2.9Å; L176-S179 PolarHBondContact O-OG 2.92Å; L176-N180 VanDerWaalsContact O-CB 3.31Å; L176-N180 WeakPolarHBondContact O-CB 3.46Å; L176-N180 VanDerWaalsContact O-CG 3.24Å; L176-N180 PolarHBondContact O-N 3.44Å; L176-N180 VanDerWaalsContact O-N 3.11Å; L176-N180 PolarHBondContact O-ND2 3.06Å
177	R	95.6	Very high	96.1	Very high	18 Å²	18	46.6 Å²	46.6	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-72.6	-37.5	177.7	-175.1	176.6	174.4	88.1	0.9	112.1	G165 C168 T173 C174 I175 S179 N180 A181 F185 S223	G165-R177 VanDerWaalsContact O-CZ 3.23Å; G165-R177 PolarHBondContact O-NH1 2.87Å; G165-R177 PolarHBondContact O-NH2 3.19Å; C168-R177 HydrophobicContact CB-CB 4.36Å; T173-R177 WeakPolarHBondContact O-CB 3.26Å; T173-R177 PolarHBondContact O-N 3.24Å; T173-R177 VanDerWaalsContact O-N 3.09Å; C174-R177 WeakPolarHBondContact O-CB 3.3Å; C174-R177 PolarHBondContact O-N 2.89Å; C174-R177 VanDerWaalsContact O-N 3.17Å; I175-R177 PolarHBondContact O-N 3.18Å; R177-S179 VanDerWaalsContact C-N 3.28Å; R177-S179 PolarHBondContact O-N 2.97Å; R177-N180 PolarHBondContact O-N 3.08Å; R177-A181 HydrophobicContact CG-CB 4.18Å; R177-A181 CarbonylContact O-C 3.54Å; R177-A181 WeakPolarHBondContact O-CA 3.28Å; R177-A181 PolarHBondContact O-N 3.39Å; R177-F185 HydrophobicContact CG-CD2 4.24Å; R177-S223 WeakPolarHBondContact CD-OG 3.42Å; R177-S223 PolarHBondContact NE-OG 3.38Å
178	E	95.9	Very high	96.1	Very high	73 Å²	73	52.1 Å²	52.1	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-43.7	175.3	-176.5	169.7	-162.9	0	0	111.2	C174 I175 F185	C174-E178 PolarHBondContact O-N 3.02Å; I175-E178 WeakPolarHBondContact O-CB 3.46Å; I175-E178 PolarHBondContact O-N 3.19Å; E178-F185 HydrophobicContact CB-CD1 3.9Å; E178-F185 HydrophobicContact CB-CD2 4.27Å; E178-F185 HydrophobicContact CB-CE1 3.71Å; E178-F185 HydrophobicContact CB-CE2 4.08Å; E178-F185 HydrophobicContact CB-CG 4.16Å; E178-F185 HydrophobicContact CB-CZ 3.78Å; E178-F185 HydrophobicContact CG-CD1 3.73Å; E178-F185 HydrophobicContact CG-CE1 3.63Å; E178-F185 HydrophobicContact CG-CG 4.4Å; E178-F185 HydrophobicContact CG-CZ 4.21Å
179	S	93.8	Very high	96	Very high	83 Å²	83	59.9 Å²	59.9	58%	0.58	31%	0.306	S	S	*	.	H	α-helix	trans	-72.4	-41.7	178.4	66	0	0	0	0	113.2	I175 L176 R177	I175-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-OG 2.92Å; R177-S179 VanDerWaalsContact C-N 3.28Å; R177-S179 PolarHBondContact O-N 2.97Å
180	N	94	Very high	96.1	Very high	135 Å²	135	60.6 Å²	60.6	72%	0.722	31%	0.309	S	S	*	.	H	α-helix	trans	-92.6	-22.7	-168.6	-64.3	-11.8	0	0	0	114	L176 R177	L176-N180 VanDerWaalsContact O-CB 3.31Å; L176-N180 WeakPolarHBondContact O-CB 3.46Å; L176-N180 VanDerWaalsContact O-CG 3.24Å; L176-N180 PolarHBondContact O-N 3.44Å; L176-N180 VanDerWaalsContact O-N 3.11Å; L176-N180 PolarHBondContact O-ND2 3.06Å; R177-N180 PolarHBondContact O-N 3.08Å
181	A	94.5	Very high	96.2	Very high	25 Å²	25	61.8 Å²	61.8	21%	0.207	32%	0.318	C	S	.	.			trans	-138	45.9	-172.9	0	0	0	0	0	111.5	R177 S183 L184	R177-A181 HydrophobicContact CG-CB 4.18Å; R177-A181 CarbonylContact O-C 3.54Å; R177-A181 WeakPolarHBondContact O-CA 3.28Å; R177-A181 PolarHBondContact O-N 3.39Å; A181-S183 VanDerWaalsContact C-N 3.28Å; A181-S183 PolarHBondContact O-N 3.03Å; A181-S183 VanDerWaalsContact O-N 3.1Å; A181-L184 HydrophobicContact CB-CB 4.4Å; A181-L184 HydrophobicContact CB-CD1 4.4Å; A181-L184 CarbonylContact O-C 2.98Å; A181-L184 WeakPolarHBondContact O-CA 3.42Å; A181-L184 WeakPolarHBondContact O-CB 3.38Å; A181-L184 PolarHBondContact O-N 3.4Å
182	F	95.7	Very high	96.3	Very high	69 Å²	69	65.7 Å²	65.7	30%	0.303	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-48.6	-43.7	-172.7	-172.9	-80.6	0	0	0	114.2	L184 F185 S186 F189	F182-L184 PolarHBondContact O-N 2.97Å; F182-F185 WeakPolarHBondContact O-CB 3.22Å; F182-F185 PolarHBondContact O-N 3.33Å; F182-S186 VanDerWaalsContact CE1-CB 3.46Å; F182-S186 VanDerWaalsContact CZ-CB 3.41Å; F182-S186 PolarHBondContact O-N 2.88Å; F182-F189 HydrophobicContact CD1-CD2 4.03Å; F182-F189 HydrophobicContact CE1-CB 4.45Å; F182-F189 AromaticContact CE1-CD2 3.26Å; F182-F189 HydrophobicContact CE1-CD2 3.26Å; F182-F189 AromaticContact CE1-CE2 3.83Å; F182-F189 HydrophobicContact CE1-CE2 3.83Å; F182-F189 HydrophobicContact CE1-CG 4.27Å; F182-F189 AromaticContact CZ-CD2 3.66Å; F182-F189 HydrophobicContact CZ-CD2 3.66Å; F182-F189 AromaticContact CZ-CE2 3.74Å; F182-F189 HydrophobicContact CZ-CE2 3.74Å
183	S	96.4	Very high	96.4	Very high	61 Å²	61	62.8 Å²	62.8	43%	0.427	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.1	179.6	68.6	0	0	0	0	114.2	A181 W190	A181-S183 VanDerWaalsContact C-N 3.28Å; A181-S183 PolarHBondContact O-N 3.03Å; A181-S183 VanDerWaalsContact O-N 3.1Å; S183-W190 PolarHBondContact O-NE1 3.06Å
184	L	97.7	Very high	96.3	Very high	28 Å²	28	65 Å²	65	15%	0.147	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-97.7	15.4	174	-58.9	175	0	0	0	113	E163 A181 F182 Y220 C221	E163-L184 HydrophobicContact CG-CD2 4.41Å; A181-L184 HydrophobicContact CB-CB 4.4Å; A181-L184 HydrophobicContact CB-CD1 4.4Å; A181-L184 CarbonylContact O-C 2.98Å; A181-L184 WeakPolarHBondContact O-CA 3.42Å; A181-L184 WeakPolarHBondContact O-CB 3.38Å; A181-L184 PolarHBondContact O-N 3.4Å; F182-L184 PolarHBondContact O-N 2.97Å; L184-Y220 CarbonylContact C-O 3.59Å; L184-Y220 WeakPolarHBondContact CA-O 3.36Å; L184-Y220 WeakPolarHBondContact CB-O 3.36Å; L184-Y220 WeakPolarHBondContact CD2-O 3.18Å; L184-C221 WeakPolarHBondContact O-CA 3.44Å
185	F	98.2	Very high	96.2	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-31.9	-176.4	-162.6	-90.2	0	0	0	112.3	C137 N138 D139 C174 R177 E178 F182 F237	C137-F185 WeakPolarHBondContact CB-O 3.33Å; N138-F185 HydrophobicContact CB-CD1 3.85Å; N138-F185 HydrophobicContact CB-CD2 3.69Å; N138-F185 HydrophobicContact CB-CE1 3.66Å; N138-F185 HydrophobicContact CB-CE2 3.5Å; N138-F185 HydrophobicContact CB-CG 3.87Å; N138-F185 HydrophobicContact CB-CZ 3.5Å; N138-F185 PolarHBondContact N-O 3.26Å; N138-F185 VanDerWaalsContact N-O 3.16Å; D139-F185 HydrophobicContact CB-CD1 4.16Å; D139-F185 HydrophobicContact CB-CE1 4.1Å; C174-F185 HydrophobicContact CB-CE2 4.44Å; C174-F185 WeakPolarHBondContact O-CE2 3.33Å; R177-F185 HydrophobicContact CG-CD2 4.24Å; E178-F185 HydrophobicContact CB-CD1 3.9Å; E178-F185 HydrophobicContact CB-CD2 4.27Å; E178-F185 HydrophobicContact CB-CE1 3.71Å; E178-F185 HydrophobicContact CB-CE2 4.08Å; E178-F185 HydrophobicContact CB-CG 4.16Å; E178-F185 HydrophobicContact CB-CZ 3.78Å; E178-F185 HydrophobicContact CG-CD1 3.73Å; E178-F185 HydrophobicContact CG-CE1 3.63Å; E178-F185 HydrophobicContact CG-CG 4.4Å; E178-F185 HydrophobicContact CG-CZ 4.21Å; F182-F185 WeakPolarHBondContact O-CB 3.22Å; F182-F185 PolarHBondContact O-N 3.33Å; F185-F237 HydrophobicContact CE1-CD1 4.21Å; F185-F237 HydrophobicContact CE1-CE1 4.29Å; F185-F237 HydrophobicContact CE2-CD1 4.38Å; F185-F237 AromaticContact CZ-CD1 3.46Å; F185-F237 HydrophobicContact CZ-CD1 3.46Å; F185-F237 VanDerWaalsContact CZ-CD1 3.46Å; F185-F237 AromaticContact CZ-CE1 3.56Å; F185-F237 HydrophobicContact CZ-CE1 3.56Å; F185-F237 HydrophobicContact CZ-CG 4.35Å
186	S	97.9	Very high	96.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.			trans	-140.2	146.3	-177.9	178.5	0	0	0	0	111.8	D139 S141 F182 K188 W190	D139-S186 VanDerWaalsContact CG-CB 3.43Å; D139-S186 VanDerWaalsContact CG-OG 3.23Å; D139-S186 PolarHBondContact OD1-OG 3.45Å; D139-S186 WeakPolarHBondContact OD2-CB 3.37Å; D139-S186 PolarHBondContact OD2-OG 3.2Å; S141-S186 PolarHBondContact OG-OG 3.35Å; F182-S186 VanDerWaalsContact CE1-CB 3.46Å; F182-S186 VanDerWaalsContact CZ-CB 3.41Å; F182-S186 PolarHBondContact O-N 2.88Å; S186-K188 WeakPolarHBondContact OG-CG 3.39Å; S186-K188 PolarHBondContact OG-N 3.47Å; S186-W190 PolarHBondContact O-NE1 3.33Å
187	S	97.6	Very high	96.2	Very high	11 Å²	11	65.2 Å²	65.2	8%	0.077	35%	0.346	C	S	.	.	S	Bend	trans	-89.7	-5	175	68.4	0	0	0	0	114.2	S141 S142 F189 W190	S141-S187 WeakPolarHBondContact CB-OG 3.48Å; S141-S187 PolarHBondContact OG-N 2.83Å; S141-S187 PolarHBondContact OG-OG 3.14Å; S141-S187 VanDerWaalsContact OG-OG 3.12Å; S142-S187 VanDerWaalsContact O-CB 3.28Å; S142-S187 WeakPolarHBondContact O-CB 3.39Å; S142-S187 PolarHBondContact O-OG 2.92Å; S187-F189 PolarHBondContact O-N 3.44Å; S187-F189 VanDerWaalsContact O-N 3.08Å; S187-W190 VanDerWaalsContact CB-CE3 3.44Å; S187-W190 WeakPolarHBondContact O-CB 3.46Å; S187-W190 PolarHBondContact O-N 2.82Å
188	K	97	Very high	96.3	Very high	138 Å²	138	64.4 Å²	64.4	60%	0.6	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.2	-171.9	-73.8	170.9	179.3	148.1	0	114.3	D139 S186	D139-K188 WeakPolarHBondContact OD2-CD 3.38Å; D139-K188 WeakPolarHBondContact OD2-CE 3.47Å; D139-K188 IonicContact OD2-NZ 3.47Å; D139-K188 PolarHBondContact OD2-NZ 3.41Å; S186-K188 WeakPolarHBondContact OG-CG 3.39Å; S186-K188 PolarHBondContact OG-N 3.47Å
189	F	95.5	Very high	96.4	Very high	164 Å²	164	60.9 Å²	60.9	72%	0.719	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	16.2	-177.5	-63.9	-92.4	0	0	0	113.1	F182 S187	F182-F189 HydrophobicContact CD1-CD2 4.03Å; F182-F189 HydrophobicContact CE1-CB 4.45Å; F182-F189 AromaticContact CE1-CD2 3.26Å; F182-F189 HydrophobicContact CE1-CD2 3.26Å; F182-F189 AromaticContact CE1-CE2 3.83Å; F182-F189 HydrophobicContact CE1-CE2 3.83Å; F182-F189 HydrophobicContact CE1-CG 4.27Å; F182-F189 AromaticContact CZ-CD2 3.66Å; F182-F189 HydrophobicContact CZ-CD2 3.66Å; F182-F189 AromaticContact CZ-CE2 3.74Å; F182-F189 HydrophobicContact CZ-CE2 3.74Å; S187-F189 PolarHBondContact O-N 3.44Å; S187-F189 VanDerWaalsContact O-N 3.08Å
190	W	98.1	Very high	96.6	Very high	17 Å²	17	57.1 Å²	57.1	6%	0.064	30%	0.3	C	S	.	.			trans	-67.5	129.5	174.1	-74.3	-2.3	0	0	0	110.9	L127 S183 S186 S187 P219 C221	L127-W190 HydrophobicContact CD1-CE3 4.01Å; L127-W190 HydrophobicContact CD2-CB 4.11Å; S183-W190 PolarHBondContact O-NE1 3.06Å; S186-W190 PolarHBondContact O-NE1 3.33Å; S187-W190 VanDerWaalsContact CB-CE3 3.44Å; S187-W190 WeakPolarHBondContact O-CB 3.46Å; S187-W190 PolarHBondContact O-N 2.82Å; W190-P219 HydrophobicContact CD2-CB 4.41Å; W190-P219 HydrophobicContact CD2-CG 4.35Å; W190-P219 HydrophobicContact CE3-CB 4.47Å; W190-P219 HydrophobicContact CE3-CG 4.09Å; W190-P219 HydrophobicContact CH2-CB 3.58Å; W190-P219 HydrophobicContact CH2-CG 3.85Å; W190-P219 HydrophobicContact CZ2-CB 3.48Å; W190-P219 VanDerWaalsContact CZ2-CB 3.48Å; W190-P219 HydrophobicContact CZ2-CG 4.11Å; W190-P219 HydrophobicContact CZ3-CB 4.1Å; W190-P219 HydrophobicContact CZ3-CG 3.83Å; W190-C221 HydrophobicContact CH2-CB 4.08Å; W190-C221 HydrophobicContact CZ2-CB 3.73Å
191	P	97.4	Very high	96.7	Very high	60 Å²	60	51.4 Å²	51.4	39%	0.39	27%	0.27	S	S	.	.			trans	-66.7	149	179.8	28	-35.5	0	0	0	110.9	Y146 T193 R194	Y146-P191 WeakPolarHBondContact CE1-O 3.44Å; Y146-P191 VanDerWaalsContact CZ-O 3.3Å; Y146-P191 VanDerWaalsContact OH-CD 3.31Å; Y146-P191 WeakPolarHBondContact OH-CD 3.28Å; Y146-P191 PolarHBondContact OH-O 2.96Å; P191-T193 PolarHBondContact O-N 2.88Å; P191-T193 VanDerWaalsContact O-N 3.17Å; P191-R194 HydrophobicContact CG-CG 3.82Å
192	K	97.1	Very high	96.7	Very high	181 Å²	181	51.9 Å²	51.9	79%	0.787	27%	0.272	S	S	*	.	S	Bend	trans	-62.1	-25.1	-179.9	-67.9	-177.9	179.1	176.3	0	113.6	L127	L127-K192 WeakPolarHBondContact CB-O 3.44Å; L127-K192 PolarHBondContact N-O 3.4Å
193	T	97.2	Very high	96.6	Very high	77 Å²	77	52 Å²	52	47%	0.472	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.8	176.9	59.6	0	0	0	0	110.5	H125 P191	H125-T193 CarbonylContact O-C 3.59Å; H125-T193 VanDerWaalsContact O-CA 3.22Å; H125-T193 WeakPolarHBondContact O-CA 3.27Å; P191-T193 PolarHBondContact O-N 2.88Å; P191-T193 VanDerWaalsContact O-N 3.17Å
194	R	95.4	Very high	96.5	Very high	57 Å²	57	51.7 Å²	51.7	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138	173.8	-77.5	-172.8	163	-173.8	-5.3	110.2	H125 Y146 E163 P191 L196	H125-R194 PolarHBondContact N-O 3.05Å; H125-R194 PolarHBondContact O-N 3.01Å; Y146-R194 HydrophobicContact CD1-CB 4.06Å; Y146-R194 HydrophobicContact CD1-CG 4.12Å; Y146-R194 HydrophobicContact CE1-CB 4.02Å; Y146-R194 HydrophobicContact CE1-CG 3.6Å; Y146-R194 HydrophobicContact CE2-CG 4.36Å; E163-R194 IonicContact OE1-NH1 3.53Å; P191-R194 HydrophobicContact CG-CG 3.82Å; R194-L196 HydrophobicContact CB-CD2 4.17Å; R194-L196 HydrophobicContact CB-CG 4.29Å
195	T	95	Very high	96.4	Very high	116 Å²	116	56.6 Å²	56.6	71%	0.712	30%	0.3	S	S	*	.			trans	-98.9	117.5	164.5	-58.6	0	0	0	0	107.4
196	L	95.8	Very high	96.2	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.157	31%	0.307	C	S	.	.			trans	-106.3	141.2	-174.9	-60.6	172.7	0	0	0	110.4	R194 L200 S201 F217	R194-L196 HydrophobicContact CB-CD2 4.17Å; R194-L196 HydrophobicContact CB-CG 4.29Å; L196-L200 HydrophobicContact CB-CB 3.73Å; L196-L200 HydrophobicContact CB-CD1 4.26Å; L196-L200 HydrophobicContact CD1-CB 4.43Å; L196-L200 HydrophobicContact CD1-CD1 3.88Å; L196-S201 VanDerWaalsContact O-CA 3.31Å; L196-S201 WeakPolarHBondContact O-CA 3.17Å; L196-S201 PolarHBondContact O-N 3.49Å; L196-F217 HydrophobicContact CD1-CB 3.4Å; L196-F217 VanDerWaalsContact CD1-CB 3.4Å; L196-F217 HydrophobicContact CD1-CD1 4.02Å; L196-F217 HydrophobicContact CD1-CD2 3.93Å; L196-F217 HydrophobicContact CD1-CG 3.52Å
197	G	95.5	Very high	96.1	Very high	27 Å²	27	57.4 Å²	57.4	28%	0.278	31%	0.307	S	S	.	.			trans	-91.3	-166.5	179.5	0	0	0	0	0	113.6	I199 L200 S201	G197-I199 PolarHBondContact O-N 3.18Å; G197-L200 PolarHBondContact O-N 3.16Å; G197-L200 VanDerWaalsContact O-N 3.09Å; G197-S201 PolarHBondContact O-N 2.95Å
198	G	96.6	Very high	96	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	54.8	-136	174.6	0	0	0	0	0	113.5	L200 S201 L428 W433	G198-L200 PolarHBondContact O-N 2.94Å; G198-S201 VanDerWaalsContact O-CB 3.3Å; G198-S201 WeakPolarHBondContact O-CB 2.97Å; G198-S201 PolarHBondContact O-N 3.33Å; G198-L428 CarbonylContact C-O 3.54Å; G198-L428 WeakPolarHBondContact CA-O 3.16Å; G198-W433 VanDerWaalsContact C-NE1 3.3Å
199	I	97.8	Very high	95.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62	-12.5	178.9	-158	176.3	0	0	0	114	L159 F161 G197 N207 Y210 I299 L428 W433	L159-I199 HydrophobicContact CD2-CD1 4.49Å; L159-I199 HydrophobicContact CD2-CG1 4.06Å; L159-I199 VanDerWaalsContact CD2-O 3.25Å; L159-I199 WeakPolarHBondContact CD2-O 3.39Å; F161-I199 HydrophobicContact CD2-CG2 3.82Å; F161-I199 HydrophobicContact CE2-CG2 3.77Å; G197-I199 PolarHBondContact O-N 3.18Å; I199-N207 PolarHBondContact O-ND2 2.89Å; I199-Y210 HydrophobicContact CD1-CD2 3.84Å; I199-Y210 HydrophobicContact CD1-CE2 3.7Å; I199-Y210 HydrophobicContact CG1-CD2 3.42Å; I199-Y210 VanDerWaalsContact CG1-CD2 3.42Å; I199-Y210 HydrophobicContact CG1-CE2 3.8Å; I199-Y210 HydrophobicContact CG1-CG 4.29Å; I199-I299 HydrophobicContact CD1-CD1 4.42Å; I199-L428 HydrophobicContact CB-CB 4.37Å; I199-L428 HydrophobicContact CD1-CD1 4.13Å; I199-L428 HydrophobicContact CD1-CD2 4.45Å; I199-L428 HydrophobicContact CG2-CB 4.13Å; I199-L428 PolarHBondContact N-O 3.48Å; I199-W433 HydrophobicContact CB-CZ2 4.38Å; I199-W433 HydrophobicContact CG1-CH2 4.36Å; I199-W433 HydrophobicContact CG1-CZ2 4.42Å
200	L	98	Very high	96	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-98.8	-8.4	178.5	-66.7	168.2	0	0	0	113.4	H125 R148 L159 F161 L196 G197 G198 S215 F217	H125-L200 PolarHBondContact CE1-O 3.18Å; R148-L200 PolarHBondContact NH2-O 3.31Å; L159-L200 HydrophobicContact CD2-CD2 4.01Å; L159-L200 HydrophobicContact CG-CD2 4.4Å; F161-L200 HydrophobicContact CB-CD1 3.91Å; F161-L200 HydrophobicContact CB-CD2 3.74Å; F161-L200 HydrophobicContact CB-CG 4.23Å; F161-L200 HydrophobicContact CD1-CD1 4.07Å; F161-L200 HydrophobicContact CD2-CD1 4.29Å; F161-L200 HydrophobicContact CD2-CG 4.4Å; F161-L200 HydrophobicContact CG-CD1 3.83Å; F161-L200 HydrophobicContact CG-CD2 4.34Å; F161-L200 HydrophobicContact CG-CG 4.31Å; L196-L200 HydrophobicContact CB-CB 3.73Å; L196-L200 HydrophobicContact CB-CD1 4.26Å; L196-L200 HydrophobicContact CD1-CB 4.43Å; L196-L200 HydrophobicContact CD1-CD1 3.88Å; G197-L200 PolarHBondContact O-N 3.16Å; G197-L200 VanDerWaalsContact O-N 3.09Å; G198-L200 PolarHBondContact O-N 2.94Å; L200-S215 VanDerWaalsContact CD2-OG 3.3Å; L200-S215 WeakPolarHBondContact CD2-OG 3.42Å; L200-F217 HydrophobicContact CD1-CB 4.3Å; L200-F217 HydrophobicContact CD1-CD2 3.62Å; L200-F217 HydrophobicContact CD1-CE2 4.4Å; L200-F217 HydrophobicContact CD1-CG 4.36Å
201	S	96.4	Very high	95.9	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	27%	0.273	C	S	.	.			trans	-60.6	144	180	-175.1	0	0	0	0	111.9	L196 G197 G198 D203 N207 H211	L196-S201 VanDerWaalsContact O-CA 3.31Å; L196-S201 WeakPolarHBondContact O-CA 3.17Å; L196-S201 PolarHBondContact O-N 3.49Å; G197-S201 PolarHBondContact O-N 2.95Å; G198-S201 VanDerWaalsContact O-CB 3.3Å; G198-S201 WeakPolarHBondContact O-CB 2.97Å; G198-S201 PolarHBondContact O-N 3.33Å; S201-D203 VanDerWaalsContact C-N 3.34Å; S201-D203 WeakPolarHBondContact OG-CB 3.33Å; S201-D203 PolarHBondContact OG-N 2.74Å; S201-D203 VanDerWaalsContact OG-N 3.13Å; S201-N207 WeakPolarHBondContact O-CB 3.33Å; S201-N207 PolarHBondContact O-ND2 3.25Å; S201-H211 WeakPolarHBondContact O-CA 3.28Å
202	S	94.8	Very high	95.8	Very high	35 Å²	35	49.9 Å²	49.9	25%	0.245	28%	0.276	C	S	.	.	S	Bend	trans	-85.5	-8	171	53.6	0	0	0	0	112.9	Y122 Q123	Y122-S202 WeakPolarHBondContact O-CB 3.42Å; Q123-S202 PolarHBondContact O-OG 2.63Å
203	D	93.4	Very high	95.8	Very high	72 Å²	72	42 Å²	42	39%	0.385	24%	0.242	S	C	.	.			trans	-81.7	124.8	174.9	177.3	8.2	0	0	0	110.5	S201 N205 A206 N207	S201-D203 VanDerWaalsContact C-N 3.34Å; S201-D203 WeakPolarHBondContact OG-CB 3.33Å; S201-D203 PolarHBondContact OG-N 2.74Å; S201-D203 VanDerWaalsContact OG-N 3.13Å; D203-N205 VanDerWaalsContact C-N 3.25Å; D203-N205 PolarHBondContact O-N 2.59Å; D203-N205 WeakPolarHBondContact OD1-CB 3.31Å; D203-N205 PolarHBondContact OD1-N 3.06Å; D203-A206 HydrophobicContact CB-CB 4.2Å; D203-A206 PolarHBondContact O-N 3.41Å; D203-N207 PolarHBondContact O-N 2.82Å
204	S	94.6	Very high	95.8	Very high	54 Å²	54	38.5 Å²	38.5	38%	0.378	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.6	178.4	55.6	0	0	0	0	113.4	N207 P208	S204-N207 CarbonylContact O-C 3.54Å; S204-P208 WeakPolarHBondContact O-CA 3.39Å; S204-P208 VanDerWaalsContact O-N 3.16Å
205	N	94.2	Very high	96	Very high	130 Å²	130	35.8 Å²	35.8	70%	0.695	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-39.7	176.8	-65	-39.2	0	0	0	111.3	D203	D203-N205 VanDerWaalsContact C-N 3.25Å; D203-N205 PolarHBondContact O-N 2.59Å; D203-N205 WeakPolarHBondContact OD1-CB 3.31Å; D203-N205 PolarHBondContact OD1-N 3.06Å
206	A	94.3	Very high	96.1	Very high	17 Å²	17	30.3 Å²	30.3	14%	0.14	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-22.8	176.2	0	0	0	0	0	112.9	D203 W433 V434	D203-A206 HydrophobicContact CB-CB 4.2Å; D203-A206 PolarHBondContact O-N 3.41Å; A206-W433 PolarHBondContact O-NE1 3.46Å; A206-V434 WeakPolarHBondContact O-CG1 3.42Å
207	N	96.2	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.			trans	-144.7	71.3	-176.3	-175.5	12.7	0	0	0	112.6	I199 S201 D203 S204 N209 Y210 H211	I199-N207 PolarHBondContact O-ND2 2.89Å; S201-N207 WeakPolarHBondContact O-CB 3.33Å; S201-N207 PolarHBondContact O-ND2 3.25Å; D203-N207 PolarHBondContact O-N 2.82Å; S204-N207 CarbonylContact O-C 3.54Å; N207-N209 VanDerWaalsContact C-N 3.26Å; N207-N209 PolarHBondContact O-N 3.16Å; N207-Y210 VanDerWaalsContact ND2-C 3.34Å; N207-Y210 WeakPolarHBondContact OD1-CB 3.35Å; N207-Y210 WeakPolarHBondContact OD1-CD2 3.27Å; N207-Y210 PolarHBondContact OD1-N 3.39Å; N207-H211 HydrophobicContact CB-CB 4.19Å; N207-H211 PolarHBondContact ND2-N 3.06Å; N207-H211 VanDerWaalsContact O-CB 3.23Å; N207-H211 WeakPolarHBondContact O-CB 3.46Å; N207-H211 PolarHBondContact O-CD2 2.83Å; N207-H211 PolarHBondContact O-N 2.95Å
208	P	95.9	Very high	96.4	Very high	57 Å²	57	28.2 Å²	28.2	37%	0.37	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.4	-170.9	25.1	-36	0	0	0	114.5	S204 V434 V444	S204-P208 WeakPolarHBondContact O-CA 3.39Å; S204-P208 VanDerWaalsContact O-N 3.16Å; P208-V434 HydrophobicContact CG-CG1 4.43Å; P208-V444 HydrophobicContact CB-CG1 4.43Å; P208-V444 HydrophobicContact CG-CB 4.4Å; P208-V444 HydrophobicContact CG-CG1 3.48Å; P208-V444 VanDerWaalsContact CG-CG1 3.48Å; P208-V444 HydrophobicContact CG-CG2 4Å
209	N	95.8	Very high	96.5	Very high	31 Å²	31	28.2 Å²	28.2	17%	0.166	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-27.9	-175.3	-69.5	-16.8	0	0	0	113.6	N207 V444	N207-N209 VanDerWaalsContact C-N 3.26Å; N207-N209 PolarHBondContact O-N 3.16Å; N209-V444 PolarHBondContact ND2-O 3.2Å
210	Y	96.9	Very high	96.6	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	0.6	-166.7	-48.1	-73.6	0	0	0	114.8	L159 I199 N207 E212 F213 I264 W433 I447	L159-Y210 HydrophobicContact CD2-CG 4.39Å; I199-Y210 HydrophobicContact CD1-CD2 3.84Å; I199-Y210 HydrophobicContact CD1-CE2 3.7Å; I199-Y210 HydrophobicContact CG1-CD2 3.42Å; I199-Y210 VanDerWaalsContact CG1-CD2 3.42Å; I199-Y210 HydrophobicContact CG1-CE2 3.8Å; I199-Y210 HydrophobicContact CG1-CG 4.29Å; N207-Y210 VanDerWaalsContact ND2-C 3.34Å; N207-Y210 WeakPolarHBondContact OD1-CB 3.35Å; N207-Y210 WeakPolarHBondContact OD1-CD2 3.27Å; N207-Y210 PolarHBondContact OD1-N 3.39Å; Y210-E212 PolarHBondContact O-N 3.18Å; Y210-E212 VanDerWaalsContact O-N 3.09Å; Y210-F213 HydrophobicContact CD1-CD1 4.11Å; Y210-F213 AromaticContact CD1-CE1 3.74Å; Y210-F213 HydrophobicContact CD1-CE1 3.74Å; Y210-F213 HydrophobicContact CD1-CE2 4.2Å; Y210-F213 AromaticContact CD1-CZ 3.78Å; Y210-F213 HydrophobicContact CD1-CZ 3.78Å; Y210-F213 HydrophobicContact CE1-CE1 4.31Å; Y210-F213 HydrophobicContact CE1-CZ 4.3Å; Y210-F213 WeakPolarHBondContact O-CB 3.3Å; Y210-F213 PolarHBondContact O-N 3.35Å; Y210-I264 HydrophobicContact CD1-CD1 4.18Å; Y210-I264 HydrophobicContact CE1-CD1 3.59Å; Y210-W433 HydrophobicContact CE2-CH2 4.49Å; Y210-I447 WeakPolarHBondContact OH-CG2 3.4Å
211	H	95.6	Very high	96.6	Very high	46 Å²	46	28 Å²	28	21%	0.213	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.3	-174.2	68.4	98.5	0	0	0	113.6	R148 S201 N207	R148-H211 PolarHBondContact NH1-O 3.11Å; R148-H211 VanDerWaalsContact NH1-O 3.14Å; R148-H211 PolarHBondContact NH2-O 3.49Å; S201-H211 WeakPolarHBondContact O-CA 3.28Å; N207-H211 HydrophobicContact CB-CB 4.19Å; N207-H211 PolarHBondContact ND2-N 3.06Å; N207-H211 VanDerWaalsContact O-CB 3.23Å; N207-H211 WeakPolarHBondContact O-CB 3.46Å; N207-H211 PolarHBondContact O-CD2 2.83Å; N207-H211 PolarHBondContact O-N 2.95Å
212	E	95.1	Very high	96.7	Very high	96 Å²	96	27.3 Å²	27.3	45%	0.449	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.3	179.7	-53.8	-165.3	128.1	0	0	114.6	A150 Y210	A150-E212 WeakPolarHBondContact CB-O 3.42Å; Y210-E212 PolarHBondContact O-N 3.18Å; Y210-E212 VanDerWaalsContact O-N 3.09Å
213	F	97.5	Very high	96.8	Very high	15 Å²	15	25.7 Å²	25.7	7%	0.066	14%	0.141	C	C	.	.	S	Bend	trans	-67.6	154.7	-174.7	-77.3	-145.7	0	0	0	110.6	R157 L159 Y210 S215 I264	R157-F213 HydrophobicContact CB-CD1 3.66Å; R157-F213 HydrophobicContact CB-CD2 4.09Å; R157-F213 HydrophobicContact CB-CE1 3.52Å; R157-F213 HydrophobicContact CB-CE2 3.96Å; R157-F213 HydrophobicContact CB-CG 3.95Å; R157-F213 HydrophobicContact CB-CZ 3.68Å; R157-F213 HydrophobicContact CG-CE1 4.39Å; R157-F213 HydrophobicContact CG-CE2 4.45Å; R157-F213 HydrophobicContact CG-CZ 4.16Å; L159-F213 HydrophobicContact CB-CB 4.41Å; L159-F213 HydrophobicContact CB-CD1 4.21Å; Y210-F213 HydrophobicContact CD1-CD1 4.11Å; Y210-F213 AromaticContact CD1-CE1 3.74Å; Y210-F213 HydrophobicContact CD1-CE1 3.74Å; Y210-F213 HydrophobicContact CD1-CE2 4.2Å; Y210-F213 AromaticContact CD1-CZ 3.78Å; Y210-F213 HydrophobicContact CD1-CZ 3.78Å; Y210-F213 HydrophobicContact CE1-CE1 4.31Å; Y210-F213 HydrophobicContact CE1-CZ 4.3Å; Y210-F213 WeakPolarHBondContact O-CB 3.3Å; Y210-F213 PolarHBondContact O-N 3.35Å; F213-S215 PolarHBondContact O-N 3.07Å; F213-I264 HydrophobicContact CE1-CD1 3.9Å
214	H	97.7	Very high	97.1	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.014	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	120.4	157.6	-67.9	-77.2	0	0	0	107.6	Y147 A150 V155 R157 W158 L159	Y147-H214 HydrophobicContact CE2-CB 4.17Å; Y147-H214 PolarHBondContact OH-ND1 2.87Å; Y147-H214 VanDerWaalsContact OH-ND1 3.12Å; A150-H214 PolarHBondContact N-CE1 2.88Å; A150-H214 PolarHBondContact N-ND1 3.34Å; V155-H214 PolarHBondContact O-NE2 3.45Å; V155-H214 VanDerWaalsContact O-NE2 3.11Å; R157-H214 PolarHBondContact O-N 3.06Å; W158-H214 CarbonylContact C-O 3.54Å; W158-H214 WeakPolarHBondContact CA-O 3.43Å; W158-H214 HydrophobicContact CB-CB 4.45Å; W158-H214 HydrophobicContact CD2-CB 3.43Å; W158-H214 VanDerWaalsContact CD2-CB 3.43Å; W158-H214 AromaticContact CD2-CG 3.93Å; W158-H214 AromaticContact CE2-CD2 3.75Å; W158-H214 AromaticContact CE2-CG 3.86Å; W158-H214 HydrophobicContact CE3-CB 3.3Å; W158-H214 HydrophobicContact CG-CB 3.97Å; W158-H214 HydrophobicContact CH2-CB 4.09Å; W158-H214 AromaticContact CH2-CG 3.96Å; W158-H214 HydrophobicContact CZ2-CB 4.22Å; W158-H214 AromaticContact CZ2-CD2 3.93Å; W158-H214 AromaticContact CZ2-CG 3.88Å; W158-H214 HydrophobicContact CZ3-CB 3.65Å; W158-H214 AromaticContact NE1-CD2 3.99Å; L159-H214 PolarHBondContact N-O 3.46Å
215	S	98.2	Very high	97.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	-170.3	-174.9	0	0	0	0	109.8	H125 Y147 R148 L200 F213	H125-S215 PolarHBondContact CD2-O 3.26Å; H125-S215 VanDerWaalsContact CD2-O 3.32Å; H125-S215 WeakPolarHBondContact NE2-CB 3.43Å; H125-S215 PolarHBondContact NE2-OG 3.42Å; Y147-S215 WeakPolarHBondContact CA-O 3.47Å; R148-S215 PolarHBondContact N-O 3.31Å; R148-S215 PolarHBondContact O-N 3.45Å; L200-S215 VanDerWaalsContact CD2-OG 3.3Å; L200-S215 WeakPolarHBondContact CD2-OG 3.42Å; F213-S215 PolarHBondContact O-N 3.07Å
216	V	98.7	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.3	178.8	175.9	0	0	0	0	108.4	Y145 Y146 Y147 W158 L159 I160 F161 I218 I252	Y145-V216 HydrophobicContact CD2-CG1 3.89Å; Y145-V216 HydrophobicContact CG-CG1 4.36Å; Y146-V216 CarbonylContact O-C 3.55Å; Y146-V216 VanDerWaalsContact O-CA 3.28Å; Y146-V216 WeakPolarHBondContact O-CA 3.2Å; Y147-V216 HydrophobicContact CD2-CG2 3.78Å; W158-V216 HydrophobicContact CE3-CG2 4.33Å; W158-V216 HydrophobicContact CZ3-CG2 4.45Å; L159-V216 PolarHBondContact O-N 3.41Å; I160-V216 CarbonylContact C-O 3.08Å; I160-V216 WeakPolarHBondContact CA-O 3.48Å; I160-V216 HydrophobicContact CB-CB 4.41Å; I160-V216 HydrophobicContact CG1-CB 4.05Å; I160-V216 HydrophobicContact CG1-CG2 4.42Å; I160-V216 HydrophobicContact CG2-CB 4.38Å; I160-V216 HydrophobicContact CG2-CG1 4.16Å; F161-V216 PolarHBondContact N-O 3.12Å; V216-I218 HydrophobicContact CG1-CG1 4.07Å; V216-I252 HydrophobicContact CG1-CD1 4.24Å; V216-I252 HydrophobicContact CG2-CD1 4.1Å; V216-I252 HydrophobicContact CG2-CG1 4.34Å
217	F	98.8	Very high	97.7	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.044	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.2	172.6	171.7	-94.4	0	0	0	108.7	Y145 Y146 F161 E163 L196 L200 P219	Y145-F217 CarbonylContact C-O 3.58Å; Y145-F217 WeakPolarHBondContact CA-O 3.39Å; Y146-F217 AromaticContact CD2-CD1 3.89Å; Y146-F217 HydrophobicContact CD2-CD1 3.89Å; Y146-F217 HydrophobicContact CD2-CE1 4.45Å; Y146-F217 HydrophobicContact CG-CD1 4.48Å; Y146-F217 PolarHBondContact N-O 2.91Å; Y146-F217 PolarHBondContact O-N 3.12Å; F161-F217 HydrophobicContact CB-CD2 4.49Å; F161-F217 AromaticContact CD1-CD2 3.92Å; F161-F217 HydrophobicContact CD1-CD2 3.92Å; F161-F217 HydrophobicContact CD1-CE2 4.1Å; E163-F217 HydrophobicContact CB-CE2 3.9Å; E163-F217 HydrophobicContact CB-CZ 3.67Å; E163-F217 VanDerWaalsContact CD-CZ 3.48Å; E163-F217 HydrophobicContact CG-CE2 4.17Å; E163-F217 HydrophobicContact CG-CZ 3.71Å; E163-F217 WeakPolarHBondContact OE1-CZ 3.27Å; L196-F217 HydrophobicContact CD1-CB 3.4Å; L196-F217 VanDerWaalsContact CD1-CB 3.4Å; L196-F217 HydrophobicContact CD1-CD1 4.02Å; L196-F217 HydrophobicContact CD1-CD2 3.93Å; L196-F217 HydrophobicContact CD1-CG 3.52Å; L200-F217 HydrophobicContact CD1-CB 4.3Å; L200-F217 HydrophobicContact CD1-CD2 3.62Å; L200-F217 HydrophobicContact CD1-CE2 4.4Å; L200-F217 HydrophobicContact CD1-CG 4.36Å; F217-P219 HydrophobicContact CD1-CG 4.02Å; F217-P219 HydrophobicContact CE1-CB 3.96Å; F217-P219 HydrophobicContact CE1-CG 3.79Å; F217-P219 WeakPolarHBondContact O-CD 3.31Å
218	I	98.8	Very high	97.8	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.015	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.4	-179.5	-47.1	-178.7	0	0	0	107.5	I160 F161 L162 E163 V216 W226 I244 L245 V248	I160-I218 HydrophobicContact CG2-CD1 3.71Å; I160-I218 HydrophobicContact CG2-CG1 4.16Å; F161-I218 PolarHBondContact O-N 3.44Å; L162-I218 HydrophobicContact CD2-CB 4.07Å; L162-I218 HydrophobicContact CD2-CD1 3.64Å; L162-I218 HydrophobicContact CD2-CG1 4.11Å; E163-I218 PolarHBondContact N-O 2.95Å; V216-I218 HydrophobicContact CG1-CG1 4.07Å; I218-W226 HydrophobicContact CB-CH2 4.05Å; I218-W226 HydrophobicContact CG2-CH2 3.61Å; I218-W226 HydrophobicContact CG2-CZ3 3.83Å; I218-W226 WeakPolarHBondContact O-CH2 3.41Å; I218-I244 HydrophobicContact CG2-CG2 4.1Å; I218-L245 HydrophobicContact CD1-CD2 3.78Å; I218-V248 HydrophobicContact CD1-CB 3.99Å; I218-V248 HydrophobicContact CD1-CG1 3.6Å; I218-V248 HydrophobicContact CD1-CG2 4.01Å; I218-V248 HydrophobicContact CG1-CG1 4.16Å; I218-V248 HydrophobicContact CG1-CG2 4.44Å; I218-V248 HydrophobicContact CG2-CG2 4.1Å
219	P	98.6	Very high	97.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.			trans	-68.1	143.4	178.9	-10.3	23.6	0	0	0	111.3	G144 Y146 E163 W190 F217 W226	G144-P219 WeakPolarHBondContact O-CD 3.5Å; Y146-P219 HydrophobicContact CD2-CG 3.55Å; Y146-P219 HydrophobicContact CE2-CG 3.51Å; E163-P219 WeakPolarHBondContact OE2-CA 3.36Å; E163-P219 WeakPolarHBondContact OE2-CB 3.46Å; W190-P219 HydrophobicContact CD2-CB 4.41Å; W190-P219 HydrophobicContact CD2-CG 4.35Å; W190-P219 HydrophobicContact CE3-CB 4.47Å; W190-P219 HydrophobicContact CE3-CG 4.09Å; W190-P219 HydrophobicContact CH2-CB 3.58Å; W190-P219 HydrophobicContact CH2-CG 3.85Å; W190-P219 HydrophobicContact CZ2-CB 3.48Å; W190-P219 VanDerWaalsContact CZ2-CB 3.48Å; W190-P219 HydrophobicContact CZ2-CG 4.11Å; W190-P219 HydrophobicContact CZ3-CB 4.1Å; W190-P219 HydrophobicContact CZ3-CG 3.83Å; F217-P219 HydrophobicContact CD1-CG 4.02Å; F217-P219 HydrophobicContact CE1-CB 3.96Å; F217-P219 HydrophobicContact CE1-CG 3.79Å; F217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-W226 WeakPolarHBondContact O-CH2 3.17Å
220	Y	98.6	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.			trans	-91.6	107.6	-174.2	178.1	-130.7	0	0	0	110.9	E163 G164 W166 L184 S222 S223 D224 L225 W226 A270	E163-Y220 PolarHBondContact OE2-N 3.31Å; G164-Y220 WeakPolarHBondContact O-CD1 3.36Å; W166-Y220 WeakPolarHBondContact O-CE1 3.3Å; W166-Y220 PolarHBondContact O-OH 3.34Å; L184-Y220 CarbonylContact C-O 3.59Å; L184-Y220 WeakPolarHBondContact CA-O 3.36Å; L184-Y220 WeakPolarHBondContact CB-O 3.36Å; L184-Y220 WeakPolarHBondContact CD2-O 3.18Å; Y220-S222 WeakPolarHBondContact CE2-OG 3.24Å; Y220-S223 WeakPolarHBondContact OH-CA 3.19Å; Y220-D224 PolarHBondContact OH-N 3.47Å; Y220-L225 PolarHBondContact OH-N 3.48Å; Y220-W226 AromaticContact CD2-CD2 3.89Å; Y220-W226 HydrophobicContact CD2-CD2 3.89Å; Y220-W226 AromaticContact CD2-CE2 3.42Å; Y220-W226 VanDerWaalsContact CD2-CE2 3.42Å; Y220-W226 HydrophobicContact CD2-CE3 4.46Å; Y220-W226 HydrophobicContact CD2-CG 4.34Å; Y220-W226 HydrophobicContact CD2-CH2 4.28Å; Y220-W226 AromaticContact CD2-CZ2 3.69Å; Y220-W226 HydrophobicContact CD2-CZ2 3.69Å; Y220-W226 AromaticContact CD2-NE1 3.5Å; Y220-W226 HydrophobicContact CE2-CD2 4.33Å; Y220-W226 HydrophobicContact CE2-CG 4.36Å; Y220-W226 AromaticContact CE2-NE1 3.96Å; Y220-W226 AromaticContact CG-CZ2 3.97Å; Y220-W226 HydrophobicContact CG-CZ2 3.97Å; Y220-W226 AromaticContact CG-NE1 3.96Å; Y220-A270 HydrophobicContact CE1-CB 4.19Å
221	C	98.4	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.007	9%	0.087	C	C	.	.			trans	-128	19.1	178.6	66.1	0	0	0	0	114.7	C137 N138 L184 W190	C137-C221 CarbonylContact C-O 3.49Å; C137-C221 VanDerWaalsContact CA-O 3.3Å; C137-C221 WeakPolarHBondContact CA-O 3.29Å; C137-C221 WeakPolarHBondContact CA-SG 2.96Å; C137-C221 HydrophobicContact CB-CB 3.52Å; C137-C221 WeakPolarHBondContact CB-SG 3.34Å; C137-C221 WeakPolarHBondContact SG-CB 3.33Å; C137-C221 CovalentContact SG-SG 2.04Å; C137-C221 PolarHBondContact SG-SG 2.77Å; N138-C221 PolarHBondContact N-O 3.27Å; N138-C221 PolarHBondContact OD1-O 3.32Å; L184-C221 WeakPolarHBondContact O-CA 3.44Å; W190-C221 HydrophobicContact CH2-CB 4.08Å; W190-C221 HydrophobicContact CZ2-CB 3.73Å
222	S	98.2	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-110.1	-13.6	-174.1	50.6	0	0	0	0	113.9	N138 Y220 D224 F239 G241	N138-S222 PolarHBondContact ND2-O 3.35Å; N138-S222 WeakPolarHBondContact OD1-CA 3.3Å; N138-S222 PolarHBondContact OD1-O 3.34Å; Y220-S222 WeakPolarHBondContact CE2-OG 3.24Å; S222-D224 PolarHBondContact O-N 3.06Å; S222-D224 PolarHBondContact OG-OD1 3.2Å; S222-F239 VanDerWaalsContact O-CD1 3.25Å; S222-F239 WeakPolarHBondContact O-CD1 3.37Å; S222-G241 VanDerWaalsContact OG-CA 3.31Å; S222-G241 WeakPolarHBondContact OG-CA 3.24Å
223	S	98.2	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	56.4	16.4	173.9	-52.1	0	0	0	0	116.2	N138 Y167 C168 R177 Y220	N138-S223 VanDerWaalsContact OD1-CB 3.29Å; N138-S223 WeakPolarHBondContact OD1-CB 3.44Å; N138-S223 PolarHBondContact OD1-N 3.47Å; N138-S223 PolarHBondContact OD1-OG 3.13Å; Y167-S223 WeakPolarHBondContact CA-O 3.44Å; Y167-S223 VanDerWaalsContact CB-O 3.25Å; Y167-S223 WeakPolarHBondContact CB-O 3.49Å; C168-S223 PolarHBondContact N-O 3.38Å; C168-S223 VanDerWaalsContact SG-CB 3.57Å; R177-S223 WeakPolarHBondContact CD-OG 3.42Å; R177-S223 PolarHBondContact NE-OG 3.38Å; Y220-S223 WeakPolarHBondContact OH-CA 3.19Å
224	D	98.4	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-119.1	22.9	-172.8	59.6	27.5	0	0	0	114.4	Y220 S222 W226 T227 G228 F239 H240 G241 W335	Y220-D224 PolarHBondContact OH-N 3.47Å; S222-D224 PolarHBondContact O-N 3.06Å; S222-D224 PolarHBondContact OG-OD1 3.2Å; D224-W226 PolarHBondContact O-N 3.32Å; D224-W226 VanDerWaalsContact O-N 3.15Å; D224-W226 WeakPolarHBondContact OD1-CA 3.43Å; D224-W226 PolarHBondContact OD1-N 2.63Å; D224-T227 WeakPolarHBondContact O-CB 3.23Å; D224-T227 PolarHBondContact O-N 3.47Å; D224-T227 PolarHBondContact O-OG1 3.06Å; D224-T227 PolarHBondContact OD1-N 3.42Å; D224-G228 VanDerWaalsContact CG-N 3.26Å; D224-G228 WeakPolarHBondContact OD2-CA 3.48Å; D224-G228 PolarHBondContact OD2-N 3.36Å; D224-F239 HydrophobicContact CB-CB 4.1Å; D224-F239 HydrophobicContact CB-CD1 3.91Å; D224-F239 HydrophobicContact CB-CG 4.44Å; D224-F239 WeakPolarHBondContact OD2-CA 3.48Å; D224-H240 PolarHBondContact OD2-N 2.88Å; D224-G241 WeakPolarHBondContact OD1-CA 3.39Å; D224-G241 PolarHBondContact OD2-N 3.04Å; D224-W335 HydrophobicContact CB-CB 3.77Å; D224-W335 HydrophobicContact CB-CD2 3.86Å; D224-W335 HydrophobicContact CB-CE3 4.39Å; D224-W335 HydrophobicContact CB-CG 3.55Å
225	L	98.4	Very high	96.7	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	32.8	-174.4	-62.3	173.8	0	0	0	112.5	Y167 Y220 T227 A270 I273 I328 W335 Y356	Y167-L225 HydrophobicContact CD1-CD1 3.92Å; Y167-L225 HydrophobicContact CD1-CD2 3.63Å; Y167-L225 HydrophobicContact CD1-CG 3.87Å; Y167-L225 HydrophobicContact CE1-CD1 4.15Å; Y167-L225 HydrophobicContact CE1-CD2 4.37Å; Y167-L225 HydrophobicContact CG-CD1 4.41Å; Y167-L225 HydrophobicContact CG-CD2 4.33Å; Y167-L225 HydrophobicContact CG-CG 4.21Å; Y220-L225 PolarHBondContact OH-N 3.48Å; L225-T227 VanDerWaalsContact C-N 3.3Å; L225-T227 WeakPolarHBondContact O-CG2 3.2Å; L225-T227 PolarHBondContact O-N 3.15Å; L225-A270 HydrophobicContact CD2-CB 3.58Å; L225-I273 HydrophobicContact CB-CG2 4.24Å; L225-I273 HydrophobicContact CD2-CD1 4.14Å; L225-I328 HydrophobicContact CD1-CD1 4.47Å; L225-I328 HydrophobicContact CD1-CG1 4.28Å; L225-W335 HydrophobicContact CD1-CH2 3.99Å; L225-W335 HydrophobicContact CD1-CZ3 4.02Å; L225-W335 HydrophobicContact CG-CH2 4.27Å; L225-W335 HydrophobicContact CG-CZ3 4.36Å; L225-Y356 HydrophobicContact CB-CD1 4.08Å; L225-Y356 HydrophobicContact CB-CE1 3.89Å; L225-Y356 HydrophobicContact CD1-CD1 3.52Å; L225-Y356 HydrophobicContact CD1-CE1 3.88Å; L225-Y356 HydrophobicContact CD1-CG 4.47Å; L225-Y356 HydrophobicContact CG-CD1 4.46Å
226	W	98.8	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	27.3	-177.5	-57.3	93	0	0	0	114.7	L162 E163 I218 P219 Y220 D224 G241 S242 I244 L245 A270 N278	L162-W226 HydrophobicContact CB-CZ2 4.19Å; E163-W226 PolarHBondContact O-NE1 3.03Å; E163-W226 VanDerWaalsContact O-NE1 3.16Å; I218-W226 HydrophobicContact CB-CH2 4.05Å; I218-W226 HydrophobicContact CG2-CH2 3.61Å; I218-W226 HydrophobicContact CG2-CZ3 3.83Å; I218-W226 WeakPolarHBondContact O-CH2 3.41Å; P219-W226 WeakPolarHBondContact O-CH2 3.17Å; Y220-W226 AromaticContact CD2-CD2 3.89Å; Y220-W226 HydrophobicContact CD2-CD2 3.89Å; Y220-W226 AromaticContact CD2-CE2 3.42Å; Y220-W226 VanDerWaalsContact CD2-CE2 3.42Å; Y220-W226 HydrophobicContact CD2-CE3 4.46Å; Y220-W226 HydrophobicContact CD2-CG 4.34Å; Y220-W226 HydrophobicContact CD2-CH2 4.28Å; Y220-W226 AromaticContact CD2-CZ2 3.69Å; Y220-W226 HydrophobicContact CD2-CZ2 3.69Å; Y220-W226 AromaticContact CD2-NE1 3.5Å; Y220-W226 HydrophobicContact CE2-CD2 4.33Å; Y220-W226 HydrophobicContact CE2-CG 4.36Å; Y220-W226 AromaticContact CE2-NE1 3.96Å; Y220-W226 AromaticContact CG-CZ2 3.97Å; Y220-W226 HydrophobicContact CG-CZ2 3.97Å; Y220-W226 AromaticContact CG-NE1 3.96Å; D224-W226 PolarHBondContact O-N 3.32Å; D224-W226 VanDerWaalsContact O-N 3.15Å; D224-W226 WeakPolarHBondContact OD1-CA 3.43Å; D224-W226 PolarHBondContact OD1-N 2.63Å; W226-G241 CarbonylContact O-C 3.59Å; W226-S242 PolarHBondContact O-N 3.43Å; W226-I244 HydrophobicContact CZ3-CG2 4.07Å; W226-L245 HydrophobicContact CB-CD1 4.04Å; W226-L245 HydrophobicContact CD2-CD2 4.36Å; W226-L245 HydrophobicContact CE3-CD1 4.16Å; W226-L245 HydrophobicContact CE3-CD2 3.6Å; W226-L245 HydrophobicContact CE3-CG 3.76Å; W226-L245 HydrophobicContact CH2-CD2 4.48Å; W226-L245 HydrophobicContact CZ3-CD2 3.68Å; W226-L245 HydrophobicContact CZ3-CG 4.24Å; W226-A270 VanDerWaalsContact CD1-O 3.28Å; W226-N278 PolarHBondContact O-ND2 3.28Å
227	T	98.7	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.			trans	-114.8	-19	-171.9	65.5	0	0	0	0	115.1	D224 L225 M277 P337 R338 Y356	D224-T227 WeakPolarHBondContact O-CB 3.23Å; D224-T227 PolarHBondContact O-N 3.47Å; D224-T227 PolarHBondContact O-OG1 3.06Å; D224-T227 PolarHBondContact OD1-N 3.42Å; L225-T227 VanDerWaalsContact C-N 3.3Å; L225-T227 WeakPolarHBondContact O-CG2 3.2Å; L225-T227 PolarHBondContact O-N 3.15Å; T227-M277 HydrophobicContact CG2-CB 3.92Å; T227-M277 HydrophobicContact CG2-CE 3.65Å; T227-M277 HydrophobicContact CG2-CG 3.85Å; T227-P337 CarbonylContact O-C 3.57Å; T227-P337 WeakPolarHBondContact O-CA 3.38Å; T227-P337 WeakPolarHBondContact OG1-CB 3.29Å; T227-R338 PolarHBondContact O-N 2.8Å; T227-Y356 WeakPolarHBondContact CB-OH 3.44Å; T227-Y356 HydrophobicContact CG2-CD1 4.46Å; T227-Y356 HydrophobicContact CG2-CE1 3.47Å; T227-Y356 VanDerWaalsContact CG2-CE1 3.47Å; T227-Y356 PolarHBondContact OG1-OH 2.79Å
228	G	98.2	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-61	139.9	-176	0	0	0	0	0	111.9	D224 F239 H240 G241 S242 W335	D224-G228 VanDerWaalsContact CG-N 3.26Å; D224-G228 WeakPolarHBondContact OD2-CA 3.48Å; D224-G228 PolarHBondContact OD2-N 3.36Å; G228-F239 CarbonylContact C-O 3.58Å; G228-F239 WeakPolarHBondContact CA-O 3.24Å; G228-H240 CarbonylContact O-C 3.52Å; G228-G241 PolarHBondContact O-N 3.24Å; G228-S242 WeakPolarHBondContact O-CB 3.45Å; G228-S242 PolarHBondContact O-N 2.74Å; G228-S242 PolarHBondContact O-OG 2.87Å; G228-W335 WeakPolarHBondContact CA-O 2.99Å
229	K	95.3	Very high	96.4	Very high	80 Å²	80	31.2 Å²	31.2	35%	0.348	17%	0.169	S	C	.	.			trans	-131.6	-16.8	-170.5	89.6	-162.4	170.2	-139	0	113.8	F239 R243 N336 P337 R338	K229-F239 PolarHBondContact N-O 3.24Å; K229-R243 WeakPolarHBondContact O-CD 3.5Å; K229-N336 WeakPolarHBondContact CD-O 3.32Å; K229-N336 WeakPolarHBondContact CE-O 3.49Å; K229-N336 WeakPolarHBondContact CE-OD1 3.21Å; K229-N336 VanDerWaalsContact CG-O 3.26Å; K229-N336 WeakPolarHBondContact CG-O 3.3Å; K229-N336 PolarHBondContact NZ-O 3.42Å; K229-N336 PolarHBondContact NZ-OD1 3.06Å; K229-P337 PolarHBondContact NZ-O 2.94Å; K229-R338 HydrophobicContact CB-CB 3.86Å; K229-R338 HydrophobicContact CD-CB 3.84Å; K229-R338 HydrophobicContact CD-CG 4.44Å; K229-R338 HydrophobicContact CG-CB 4.45Å
230	M	91.4	Very high	96.4	Very high	50 Å²	50	31.2 Å²	31.2	25%	0.246	17%	0.169	C	C	.	.			trans	-65.7	143.6	-178.7	-163.3	157.2	75.3	0	0	108.6	N232 R233 S234 H240 N336	M230-N232 WeakPolarHBondContact CE-O 3.29Å; M230-N232 HydrophobicContact CG-CB 4.47Å; M230-R233 WeakPolarHBondContact CE-O 3.49Å; M230-S234 WeakPolarHBondContact CE-OG 3.27Å; M230-H240 PolarHBondContact O-CD2 2.77Å; M230-H240 PolarHBondContact O-NE2 3.41Å; M230-N336 HydrophobicContact CB-CB 4.23Å; M230-N336 HydrophobicContact SD-CB 4.32Å
231	A	91.8	Very high	96.4	Very high	48 Å²	48	31.2 Å²	31.2	40%	0.397	17%	0.169	S	C	.	.	S	Bend	trans	-87.4	-28.8	176.8	0	0	0	0	0	112.1	H240	A231-H240 PolarHBondContact O-NE2 3.39Å
232	N	92.5	Very high	96.4	Very high	123 Å²	123	31.5 Å²	31.5	66%	0.658	17%	0.172	S	C	*	.	S	Bend	trans	-86.5	162.9	177.9	-62.2	-14.3	0	0	0	110.4	M230	M230-N232 WeakPolarHBondContact CE-O 3.29Å; M230-N232 HydrophobicContact CG-CB 4.47Å
233	R	94	Very high	96.4	Very high	137 Å²	137	35.5 Å²	35.5	52%	0.517	19%	0.187	S	C	.	.			trans	-68.5	152.3	175.1	-54.7	-178.4	-150.2	-177.8	4.6	111.4	M230 G235 F237 Y238	M230-R233 WeakPolarHBondContact CE-O 3.49Å; R233-G235 VanDerWaalsContact CB-O 3.27Å; R233-G235 WeakPolarHBondContact CB-O 3.16Å; R233-F237 CarbonylContact C-O 3.56Å; R233-F237 WeakPolarHBondContact CA-O 3.39Å; R233-F237 WeakPolarHBondContact CB-O 3.35Å; R233-Y238 HydrophobicContact CG-CD1 3.85Å; R233-Y238 HydrophobicContact CG-CD2 3.92Å; R233-Y238 HydrophobicContact CG-CE1 3.5Å; R233-Y238 HydrophobicContact CG-CE2 3.58Å; R233-Y238 HydrophobicContact CG-CG 4.06Å; R233-Y238 PolarHBondContact NE-OH 2.91Å
234	S	94.3	Very high	96.4	Very high	17 Å²	17	35.6 Å²	35.6	12%	0.119	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-109.3	114.4	159.9	-63.9	0	0	0	0	107.1	M230 D236 F237 F334	M230-S234 WeakPolarHBondContact CE-OG 3.27Å; S234-D236 PolarHBondContact O-N 2.86Å; S234-F237 PolarHBondContact N-O 3.27Å; S234-F237 PolarHBondContact O-N 3.31Å; S234-F334 VanDerWaalsContact CB-O 3.26Å; S234-F334 WeakPolarHBondContact CB-O 3.41Å; S234-F334 WeakPolarHBondContact O-CZ 3.38Å; S234-F334 PolarHBondContact OG-O 2.85Å
235	G	93.3	Very high	96.4	Very high	51 Å²	51	35.7 Å²	35.7	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	-131.6	-162.1	0	0	0	0	0	109.7	R233	R233-G235 VanDerWaalsContact CB-O 3.27Å; R233-G235 WeakPolarHBondContact CB-O 3.16Å
236	D	95	Very high	96.4	Very high	104 Å²	104	37 Å²	37	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-3.5	179	-72.3	-30.3	0	0	0	114.7	S234	S234-D236 PolarHBondContact O-N 2.86Å
237	F	97.5	Very high	96.3	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.035	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-114.2	145.5	-165.5	-48.1	-61.5	0	0	0	113.8	N138 E171 C174 I175 F185 R233 S234 F239 F334	N138-F237 WeakPolarHBondContact O-CA 3.48Å; E171-F237 HydrophobicContact CG-CE2 4.36Å; C174-F237 HydrophobicContact CB-CD2 3.71Å; C174-F237 HydrophobicContact CB-CE2 3.53Å; C174-F237 HydrophobicContact CB-CG 4.33Å; C174-F237 HydrophobicContact CB-CZ 4.02Å; I175-F237 HydrophobicContact CG1-CZ 3.9Å; F185-F237 HydrophobicContact CE1-CD1 4.21Å; F185-F237 HydrophobicContact CE1-CE1 4.29Å; F185-F237 HydrophobicContact CE2-CD1 4.38Å; F185-F237 AromaticContact CZ-CD1 3.46Å; F185-F237 HydrophobicContact CZ-CD1 3.46Å; F185-F237 VanDerWaalsContact CZ-CD1 3.46Å; F185-F237 AromaticContact CZ-CE1 3.56Å; F185-F237 HydrophobicContact CZ-CE1 3.56Å; F185-F237 HydrophobicContact CZ-CG 4.35Å; R233-F237 CarbonylContact C-O 3.56Å; R233-F237 WeakPolarHBondContact CA-O 3.39Å; R233-F237 WeakPolarHBondContact CB-O 3.35Å; S234-F237 PolarHBondContact N-O 3.27Å; S234-F237 PolarHBondContact O-N 3.31Å; F237-F239 HydrophobicContact CB-CE2 3.83Å; F237-F239 HydrophobicContact CB-CZ 3.86Å; F237-F334 HydrophobicContact CD2-CE1 4.17Å; F237-F334 HydrophobicContact CD2-CZ 4.1Å
238	Y	97.5	Very high	96.3	Very high	30 Å²	30	37.4 Å²	37.4	12%	0.118	20%	0.202	C	C	.	.			trans	-91.9	136	168.6	-64.4	-87.8	0	0	0	111.6	K136 N138 R233 H240	K136-Y238 HydrophobicContact CB-CG 4.35Å; K136-Y238 HydrophobicContact CD-CD1 4.38Å; K136-Y238 HydrophobicContact CD-CD2 4.45Å; K136-Y238 HydrophobicContact CD-CE1 4.18Å; K136-Y238 HydrophobicContact CD-CE2 4.26Å; K136-Y238 HydrophobicContact CD-CG 4.49Å; N138-Y238 WeakPolarHBondContact CA-O 3.26Å; N138-Y238 PolarHBondContact ND2-O 3.18Å; N138-Y238 PolarHBondContact O-N 2.95Å; R233-Y238 HydrophobicContact CG-CD1 3.85Å; R233-Y238 HydrophobicContact CG-CD2 3.92Å; R233-Y238 HydrophobicContact CG-CE1 3.5Å; R233-Y238 HydrophobicContact CG-CE2 3.58Å; R233-Y238 HydrophobicContact CG-CG 4.06Å; R233-Y238 PolarHBondContact NE-OH 2.91Å; Y238-H240 AromaticContact CD1-CE1 3.66Å; Y238-H240 AromaticContact CD1-NE2 3.51Å
239	F	98	Very high	96.2	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	20%	0.203	C	C	.	.			trans	-119.3	84.5	174.7	-63.1	-75.8	0	0	0	109.2	S222 D224 G228 K229 F237 F334 W335	S222-F239 VanDerWaalsContact O-CD1 3.25Å; S222-F239 WeakPolarHBondContact O-CD1 3.37Å; D224-F239 HydrophobicContact CB-CB 4.1Å; D224-F239 HydrophobicContact CB-CD1 3.91Å; D224-F239 HydrophobicContact CB-CG 4.44Å; D224-F239 WeakPolarHBondContact OD2-CA 3.48Å; G228-F239 CarbonylContact C-O 3.58Å; G228-F239 WeakPolarHBondContact CA-O 3.24Å; K229-F239 PolarHBondContact N-O 3.24Å; F237-F239 HydrophobicContact CB-CE2 3.83Å; F237-F239 HydrophobicContact CB-CZ 3.86Å; F239-F334 HydrophobicContact CE1-CD1 4.32Å; F239-F334 AromaticContact CE2-CD1 3.51Å; F239-F334 HydrophobicContact CE2-CD1 3.51Å; F239-F334 AromaticContact CE2-CE1 3.5Å; F239-F334 HydrophobicContact CE2-CE1 3.5Å; F239-F334 VanDerWaalsContact CE2-CE1 3.5Å; F239-F334 HydrophobicContact CE2-CG 4.13Å; F239-F334 HydrophobicContact CE2-CZ 4.08Å; F239-F334 AromaticContact CZ-CD1 3.36Å; F239-F334 HydrophobicContact CZ-CD1 3.36Å; F239-F334 AromaticContact CZ-CE1 3.33Å; F239-F334 HydrophobicContact CZ-CE1 3.33Å; F239-F334 HydrophobicContact CZ-CG 4.37Å; F239-F334 HydrophobicContact CZ-CZ 4.29Å; F239-W335 HydrophobicContact CB-CB 4.18Å; F239-W335 AromaticContact CD1-CD1 3.37Å; F239-W335 HydrophobicContact CD1-CG 4.19Å; F239-W335 AromaticContact CE1-CD1 3.51Å; F239-W335 AromaticContact CE1-NE1 3.87Å; F239-W335 HydrophobicContact CG-CB 4.31Å; F239-W335 AromaticContact CG-CD1 3.79Å; F239-W335 HydrophobicContact CG-CG 4.4Å
240	H	97.9	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.			trans	-109.1	13.5	-168.3	-77.9	-167.6	0	0	0	113.9	G134 K136 D224 G228 M230 A231 Y238 S242 R243 I244	G134-H240 PolarHBondContact O-ND1 2.67Å; K136-H240 PolarHBondContact N-ND1 2.86Å; K136-H240 VanDerWaalsContact N-ND1 3.2Å; K136-H240 WeakPolarHBondContact O-CB 3.36Å; D224-H240 PolarHBondContact OD2-N 2.88Å; G228-H240 CarbonylContact O-C 3.52Å; M230-H240 PolarHBondContact O-CD2 2.77Å; M230-H240 PolarHBondContact O-NE2 3.41Å; A231-H240 PolarHBondContact O-NE2 3.39Å; Y238-H240 AromaticContact CD1-CE1 3.66Å; Y238-H240 AromaticContact CD1-NE2 3.51Å; H240-S242 VanDerWaalsContact C-N 3.31Å; H240-S242 PolarHBondContact O-N 3.27Å; H240-S242 VanDerWaalsContact O-N 3.09Å; H240-R243 HydrophobicContact CB-CB 4.25Å; H240-R243 CarbonylContact O-C 3.54Å; H240-R243 WeakPolarHBondContact O-CA 3.12Å; H240-R243 WeakPolarHBondContact O-CB 3.24Å; H240-R243 PolarHBondContact O-N 3.33Å; H240-I244 HydrophobicContact CB-CD1 4.35Å; H240-I244 HydrophobicContact CB-CG1 4.12Å; H240-I244 WeakPolarHBondContact O-CG1 3.4Å; H240-I244 PolarHBondContact O-N 3.09Å
241	G	98.5	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-48.7	-46.6	-169.9	0	0	0	0	0	114.7	S222 D224 W226 G228 R243 I244 L245	S222-G241 VanDerWaalsContact OG-CA 3.31Å; S222-G241 WeakPolarHBondContact OG-CA 3.24Å; D224-G241 WeakPolarHBondContact OD1-CA 3.39Å; D224-G241 PolarHBondContact OD2-N 3.04Å; W226-G241 CarbonylContact O-C 3.59Å; G228-G241 PolarHBondContact O-N 3.24Å; G241-R243 VanDerWaalsContact C-N 3.33Å; G241-R243 PolarHBondContact O-N 3.46Å; G241-I244 PolarHBondContact O-N 2.93Å; G241-L245 WeakPolarHBondContact O-CG 3.46Å; G241-L245 PolarHBondContact O-N 2.77Å
242	S	98.3	Very high	96.6	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-24	177.9	75.5	0	0	0	0	114	W226 G228 H240 A246	W226-S242 PolarHBondContact O-N 3.43Å; G228-S242 WeakPolarHBondContact O-CB 3.45Å; G228-S242 PolarHBondContact O-N 2.74Å; G228-S242 PolarHBondContact O-OG 2.87Å; H240-S242 VanDerWaalsContact C-N 3.31Å; H240-S242 PolarHBondContact O-N 3.27Å; H240-S242 VanDerWaalsContact O-N 3.09Å; S242-A246 PolarHBondContact O-N 3.45Å
243	R	97.8	Very high	96.7	Very high	84 Å²	84	30.4 Å²	30.4	32%	0.317	16%	0.164	S	C	.	.	H	α-helix	trans	-78.4	-39.9	175.9	-53.9	177.5	63.9	88.5	-0.3	111.3	G134 K229 H240 G241 A246 A247	G134-R243 VanDerWaalsContact CA-NH2 3.33Å; G134-R243 VanDerWaalsContact O-CB 3.23Å; G134-R243 WeakPolarHBondContact O-CB 3.41Å; G134-R243 WeakPolarHBondContact O-CD 3.35Å; G134-R243 PolarHBondContact O-NE 2.88Å; K229-R243 WeakPolarHBondContact O-CD 3.5Å; H240-R243 HydrophobicContact CB-CB 4.25Å; H240-R243 CarbonylContact O-C 3.54Å; H240-R243 WeakPolarHBondContact O-CA 3.12Å; H240-R243 WeakPolarHBondContact O-CB 3.24Å; H240-R243 PolarHBondContact O-N 3.33Å; G241-R243 VanDerWaalsContact C-N 3.33Å; G241-R243 PolarHBondContact O-N 3.46Å; R243-A246 PolarHBondContact O-N 3.05Å; R243-A247 WeakPolarHBondContact O-CB 3.33Å; R243-A247 PolarHBondContact O-N 2.86Å
244	I	98.6	Very high	96.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-56.2	-53.6	173.4	-64.5	170.8	0	0	0	109	A135 A143 I218 W226 H240 G241 A246 A247 V248	A135-I244 HydrophobicContact CB-CG1 4.27Å; A143-I244 HydrophobicContact CB-CB 4.39Å; A143-I244 HydrophobicContact CB-CD1 3.7Å; A143-I244 HydrophobicContact CB-CG1 3.61Å; A143-I244 HydrophobicContact CB-CG2 3.94Å; I218-I244 HydrophobicContact CG2-CG2 4.1Å; W226-I244 HydrophobicContact CZ3-CG2 4.07Å; H240-I244 HydrophobicContact CB-CD1 4.35Å; H240-I244 HydrophobicContact CB-CG1 4.12Å; H240-I244 WeakPolarHBondContact O-CG1 3.4Å; H240-I244 PolarHBondContact O-N 3.09Å; G241-I244 PolarHBondContact O-N 2.93Å; I244-A246 VanDerWaalsContact C-N 3.29Å; I244-A246 PolarHBondContact O-N 3.36Å; I244-A247 PolarHBondContact O-N 2.9Å; I244-A247 VanDerWaalsContact O-N 3.12Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.4Å; I244-V248 PolarHBondContact O-N 3.18Å
245	L	98.6	Very high	96.5	Very high	3 Å²	3	31 Å²	31	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-41.4	179.3	-62.2	-178.3	0	0	0	112.5	L162 I218 W226 G241 I249 N278 L282	L162-L245 HydrophobicContact CD1-CD1 4.04Å; L162-L245 HydrophobicContact CD1-CD2 4.09Å; L162-L245 HydrophobicContact CD2-CD2 3.39Å; L162-L245 HydrophobicContact CG-CD2 4.4Å; I218-L245 HydrophobicContact CD1-CD2 3.78Å; W226-L245 HydrophobicContact CB-CD1 4.04Å; W226-L245 HydrophobicContact CD2-CD2 4.36Å; W226-L245 HydrophobicContact CE3-CD1 4.16Å; W226-L245 HydrophobicContact CE3-CD2 3.6Å; W226-L245 HydrophobicContact CE3-CG 3.76Å; W226-L245 HydrophobicContact CH2-CD2 4.48Å; W226-L245 HydrophobicContact CZ3-CD2 3.68Å; W226-L245 HydrophobicContact CZ3-CG 4.24Å; G241-L245 WeakPolarHBondContact O-CG 3.46Å; G241-L245 PolarHBondContact O-N 2.77Å; L245-I249 WeakPolarHBondContact O-CG1 3.13Å; L245-I249 PolarHBondContact O-N 3.06Å; L245-N278 HydrophobicContact CD1-CB 3.86Å; L245-L282 HydrophobicContact CB-CD1 4.25Å; L245-L282 HydrophobicContact CB-CD2 3.87Å; L245-L282 HydrophobicContact CD1-CD1 4.17Å
246	A	97.4	Very high	96.3	Very high	29 Å²	29	31.7 Å²	31.7	24%	0.24	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-47.3	176.1	0	0	0	0	0	111.6	S242 R243 I244 V248 I249 D250 K285	S242-A246 PolarHBondContact O-N 3.45Å; R243-A246 PolarHBondContact O-N 3.05Å; I244-A246 VanDerWaalsContact C-N 3.29Å; I244-A246 PolarHBondContact O-N 3.36Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.86Å; A246-I249 PolarHBondContact O-N 3.46Å; A246-D250 PolarHBondContact O-N 3.11Å; A246-K285 HydrophobicContact CB-CD 3.99Å; A246-K285 WeakPolarHBondContact O-CE 3.17Å
247	A	97.7	Very high	95.8	Very high	10 Å²	10	27 Å²	27	8%	0.083	14%	0.137	C	C	.	.	H	α-helix	trans	-66.7	-35.4	-178.9	0	0	0	0	0	112.4	I130 A135 R243 I244 D250 N251	I130-A247 HydrophobicContact CD1-CB 3.95Å; I130-A247 HydrophobicContact CG2-CB 3.9Å; A135-A247 HydrophobicContact CB-CB 3.76Å; R243-A247 WeakPolarHBondContact O-CB 3.33Å; R243-A247 PolarHBondContact O-N 2.86Å; I244-A247 PolarHBondContact O-N 2.9Å; I244-A247 VanDerWaalsContact O-N 3.12Å; A247-D250 PolarHBondContact O-N 2.88Å; A247-N251 WeakPolarHBondContact O-CB 3.42Å; A247-N251 PolarHBondContact O-N 3.28Å
248	V	98	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-46.3	172.8	172.7	0	0	0	0	110.8	I130 Y145 I218 I244 A246 D250 N251 I252	I130-V248 HydrophobicContact CD1-CG2 3.59Å; Y145-V248 HydrophobicContact CD1-CB 4.47Å; Y145-V248 HydrophobicContact CD1-CG1 4.06Å; Y145-V248 HydrophobicContact CD1-CG2 3.99Å; Y145-V248 HydrophobicContact CG-CG1 4.03Å; Y145-V248 HydrophobicContact CG-CG2 4.39Å; I218-V248 HydrophobicContact CD1-CB 3.99Å; I218-V248 HydrophobicContact CD1-CG1 3.6Å; I218-V248 HydrophobicContact CD1-CG2 4.01Å; I218-V248 HydrophobicContact CG1-CG1 4.16Å; I218-V248 HydrophobicContact CG1-CG2 4.44Å; I218-V248 HydrophobicContact CG2-CG2 4.1Å; I244-V248 HydrophobicContact CG2-CG2 4.33Å; I244-V248 WeakPolarHBondContact O-CG2 3.4Å; I244-V248 PolarHBondContact O-N 3.18Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.86Å; V248-D250 PolarHBondContact O-N 3.17Å; V248-N251 PolarHBondContact O-N 2.93Å; V248-I252 HydrophobicContact CG1-CD1 3.62Å; V248-I252 HydrophobicContact CG1-CG1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.33Å; V248-I252 PolarHBondContact O-N 2.85Å
249	I	97.5	Very high	94.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-33.7	177.6	-64.3	-58.7	0	0	0	112.4	I160 L245 A246 I252 W254 F265 L282 K285 L286	I160-I249 HydrophobicContact CD1-CD1 3.85Å; L245-I249 WeakPolarHBondContact O-CG1 3.13Å; L245-I249 PolarHBondContact O-N 3.06Å; A246-I249 PolarHBondContact O-N 3.46Å; I249-I252 HydrophobicContact CD1-CD1 4.39Å; I249-W254 HydrophobicContact CD1-CZ2 4.01Å; I249-W254 HydrophobicContact CG2-CZ2 4.45Å; I249-W254 PolarHBondContact O-NE1 3.19Å; I249-F265 HydrophobicContact CD1-CE1 3.86Å; I249-F265 HydrophobicContact CD1-CZ 3.75Å; I249-L282 HydrophobicContact CG1-CD2 3.9Å; I249-K285 HydrophobicContact CB-CD 4.34Å; I249-K285 HydrophobicContact CG2-CB 4.42Å; I249-K285 HydrophobicContact CG2-CD 4.34Å; I249-K285 HydrophobicContact CG2-CG 4Å; I249-L286 HydrophobicContact CG2-CB 4.47Å
250	D	95.5	Very high	94.7	Very high	58 Å²	58	33.4 Å²	33.4	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-72.5	-35.7	174.8	-68.6	-29.4	0	0	0	112.3	A246 A247 V248 K285 R289	A246-D250 PolarHBondContact O-N 3.11Å; A247-D250 PolarHBondContact O-N 2.88Å; V248-D250 PolarHBondContact O-N 3.17Å; D250-K285 WeakPolarHBondContact OD1-CE 3.34Å; D250-K285 IonicContact OD1-NZ 2.63Å; D250-K285 PolarHBondContact OD1-NZ 2.95Å; D250-K285 WeakPolarHBondContact OD2-CE 3.39Å; D250-K285 IonicContact OD2-NZ 4Å; D250-K285 PolarHBondContact OD2-NZ 3.43Å; D250-R289 VanDerWaalsContact O-CZ 3.23Å; D250-R289 PolarHBondContact O-NE 2.9Å; D250-R289 PolarHBondContact O-NH2 3.34Å
251	N	95.6	Very high	94.6	Very high	73 Å²	73	37.1 Å²	37.1	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-87.6	-25.9	-173.1	-165	-94	0	0	0	114.2	Y145 A247 V248	Y145-N251 HydrophobicContact CE1-CB 4.06Å; Y145-N251 VanDerWaalsContact CE1-OD1 3.23Å; Y145-N251 WeakPolarHBondContact CE1-OD1 3.15Å; Y145-N251 PolarHBondContact OH-O 3.19Å; Y145-N251 PolarHBondContact OH-OD1 3.24Å; A247-N251 WeakPolarHBondContact O-CB 3.42Å; A247-N251 PolarHBondContact O-N 3.28Å; V248-N251 PolarHBondContact O-N 2.93Å
252	I	95.3	Very high	94.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-53	131.7	178.6	-77.6	166.6	0	0	0	110	Y145 W158 I160 V216 V248 I249 W254	Y145-I252 HydrophobicContact CE2-CG1 4.09Å; W158-I252 HydrophobicContact CE3-CG2 4.02Å; W158-I252 HydrophobicContact CH2-CG2 3.85Å; W158-I252 HydrophobicContact CZ3-CG2 3.44Å; W158-I252 VanDerWaalsContact CZ3-CG2 3.44Å; I160-I252 HydrophobicContact CD1-CD1 3.73Å; I160-I252 HydrophobicContact CG1-CD1 4.37Å; V216-I252 HydrophobicContact CG1-CD1 4.24Å; V216-I252 HydrophobicContact CG2-CD1 4.1Å; V216-I252 HydrophobicContact CG2-CG1 4.34Å; V248-I252 HydrophobicContact CG1-CD1 3.62Å; V248-I252 HydrophobicContact CG1-CG1 3.86Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.33Å; V248-I252 PolarHBondContact O-N 2.85Å; I249-I252 HydrophobicContact CD1-CD1 4.39Å; I252-W254 HydrophobicContact CB-CD2 4.37Å; I252-W254 HydrophobicContact CB-CZ2 3.97Å; I252-W254 HydrophobicContact CD1-CH2 4.26Å; I252-W254 HydrophobicContact CD1-CZ2 3.9Å; I252-W254 HydrophobicContact CG2-CD2 3.64Å; I252-W254 HydrophobicContact CG2-CE3 3.97Å; I252-W254 HydrophobicContact CG2-CG 4.13Å; I252-W254 HydrophobicContact CG2-CH2 4.11Å; I252-W254 HydrophobicContact CG2-CZ2 3.76Å; I252-W254 HydrophobicContact CG2-CZ3 4.2Å; I252-W254 PolarHBondContact O-N 3.19Å
253	P	93.7	Very high	94.5	Very high	20 Å²	20	36.9 Å²	36.9	13%	0.13	20%	0.198	C	C	.	.			trans	-78.9	69.8	-179	33.4	-38	0	0	0	111.6	Y147 Q255 N256	Y147-P253 HydrophobicContact CD1-CG 4.11Å; Y147-P253 HydrophobicContact CE1-CG 3.68Å; P253-Q255 PolarHBondContact O-N 3.2Å; P253-N256 WeakPolarHBondContact CB-ND2 3.12Å; P253-N256 WeakPolarHBondContact CG-ND2 3.29Å; P253-N256 VanDerWaalsContact O-CB 3.3Å; P253-N256 WeakPolarHBondContact O-CB 2.84Å; P253-N256 PolarHBondContact O-N 2.98Å
254	W	94.8	Very high	94.6	Very high	17 Å²	17	32.9 Å²	32.9	6%	0.064	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-53.6	-28.8	-177.8	-62.3	107.1	0	0	0	114	W158 I160 I249 I252 N256 A257 T260 V263 L286 I290	W158-W254 HydrophobicContact CB-CZ3 4.31Å; W158-W254 AromaticContact CD1-CZ3 3.9Å; W158-W254 AromaticContact CD2-CE3 3.85Å; W158-W254 HydrophobicContact CD2-CE3 3.85Å; W158-W254 AromaticContact CD2-CZ3 3.54Å; W158-W254 HydrophobicContact CD2-CZ3 3.54Å; W158-W254 AromaticContact CE2-CE3 3.6Å; W158-W254 AromaticContact CE2-CZ3 3.79Å; W158-W254 HydrophobicContact CE3-CE3 4.29Å; W158-W254 AromaticContact CE3-CZ3 3.97Å; W158-W254 HydrophobicContact CE3-CZ3 3.97Å; W158-W254 HydrophobicContact CG-CE3 4.31Å; W158-W254 AromaticContact CG-CZ3 3.68Å; W158-W254 HydrophobicContact CG-CZ3 3.68Å; W158-W254 HydrophobicContact CH2-CE3 4.35Å; W158-W254 AromaticContact CZ2-CE3 3.88Å; W158-W254 HydrophobicContact CZ2-CE3 3.88Å; W158-W254 HydrophobicContact CZ2-CZ3 4.43Å; W158-W254 AromaticContact NE1-CE3 3.82Å; W158-W254 AromaticContact NE1-CZ3 3.93Å; I160-W254 HydrophobicContact CD1-CH2 3.9Å; I160-W254 HydrophobicContact CD1-CZ2 4.46Å; I249-W254 HydrophobicContact CD1-CZ2 4.01Å; I249-W254 HydrophobicContact CG2-CZ2 4.45Å; I249-W254 PolarHBondContact O-NE1 3.19Å; I252-W254 HydrophobicContact CB-CD2 4.37Å; I252-W254 HydrophobicContact CB-CZ2 3.97Å; I252-W254 HydrophobicContact CD1-CH2 4.26Å; I252-W254 HydrophobicContact CD1-CZ2 3.9Å; I252-W254 HydrophobicContact CG2-CD2 3.64Å; I252-W254 HydrophobicContact CG2-CE3 3.97Å; I252-W254 HydrophobicContact CG2-CG 4.13Å; I252-W254 HydrophobicContact CG2-CH2 4.11Å; I252-W254 HydrophobicContact CG2-CZ2 3.76Å; I252-W254 HydrophobicContact CG2-CZ3 4.2Å; I252-W254 PolarHBondContact O-N 3.19Å; W254-N256 PolarHBondContact O-N 3.09Å; W254-A257 PolarHBondContact O-N 3.03Å; W254-A257 VanDerWaalsContact O-N 3.16Å; W254-T260 HydrophobicContact CE3-CG2 4.41Å; W254-T260 HydrophobicContact CZ3-CG2 4.4Å; W254-V263 HydrophobicContact CH2-CG1 4.34Å; W254-V263 HydrophobicContact CH2-CG2 3.96Å; W254-V263 HydrophobicContact CZ3-CG2 3.71Å; W254-L286 HydrophobicContact CD2-CD1 4.17Å; W254-L286 HydrophobicContact CE3-CD1 4.28Å; W254-L286 HydrophobicContact CH2-CD1 3.44Å; W254-L286 VanDerWaalsContact CH2-CD1 3.44Å; W254-L286 HydrophobicContact CZ2-CD1 3.31Å; W254-L286 HydrophobicContact CZ3-CD1 3.94Å; W254-I290 HydrophobicContact CB-CD1 4.33Å; W254-I290 HydrophobicContact CB-CG1 4.31Å; W254-I290 HydrophobicContact CD2-CD1 3.77Å; W254-I290 HydrophobicContact CD2-CG1 4.29Å; W254-I290 HydrophobicContact CE3-CD1 3.83Å; W254-I290 HydrophobicContact CG-CD1 3.99Å; W254-I290 HydrophobicContact CG-CG1 4.04Å; W254-I290 HydrophobicContact CZ3-CD1 4.43Å
255	Q	90.1	Very high	94.6	Very high	149 Å²	149	33 Å²	33	70%	0.696	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-64.2	-12.6	175.9	69.4	-82.4	10.8	0	0	114.6	P253 A257	P253-Q255 PolarHBondContact O-N 3.2Å; Q255-A257 CarbonylContact C-O 3.6Å; Q255-A257 PolarHBondContact O-N 3.12Å
256	N	88.9	Confident	94.6	Very high	65 Å²	65	32.9 Å²	32.9	35%	0.348	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-68.1	-21.8	173.2	-72	-16.8	0	0	0	112.4	Y147 P253 W254	Y147-N256 WeakPolarHBondContact CE1-ND2 3.23Å; Y147-N256 PolarHBondContact OH-ND2 2.92Å; P253-N256 WeakPolarHBondContact CB-ND2 3.12Å; P253-N256 WeakPolarHBondContact CG-ND2 3.29Å; P253-N256 VanDerWaalsContact O-CB 3.3Å; P253-N256 WeakPolarHBondContact O-CB 2.84Å; P253-N256 PolarHBondContact O-N 2.98Å; W254-N256 PolarHBondContact O-N 3.09Å
257	A	84.8	Confident	94.7	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	17%	0.171	C	C	.	.	S	Bend	trans	-93.8	133.9	163.8	0	0	0	0	0	108.6	W158 W254 Q255 Y259	W158-A257 HydrophobicContact CZ2-CB 4.06Å; W254-A257 PolarHBondContact O-N 3.03Å; W254-A257 VanDerWaalsContact O-N 3.16Å; Q255-A257 CarbonylContact C-O 3.6Å; Q255-A257 PolarHBondContact O-N 3.12Å; A257-Y259 PolarHBondContact O-N 2.97Å
258	A	83.5	Confident	94.7	Very high	98 Å²	98	31 Å²	31	81%	0.81	17%	0.167	S	C	*	.	S	Bend	trans	-58.1	-34.1	175.6	0	0	0	0	0	112.1
259	Y	91	Very high	94.7	Very high	77 Å²	77	31.2 Å²	31.2	30%	0.302	17%	0.169	S	C	.	.	S	Bend	trans	-152.7	144.8	173.6	176.8	-110.5	0	0	0	107.2	N156 A257 E261 Y292	N156-Y259 VanDerWaalsContact CA-O 3.26Å; N156-Y259 WeakPolarHBondContact CA-O 3.42Å; N156-Y259 WeakPolarHBondContact CB-O 3.42Å; A257-Y259 PolarHBondContact O-N 2.97Å; Y259-E261 HydrophobicContact CD1-CG 3.63Å; Y259-E261 HydrophobicContact CE1-CG 3.43Å; Y259-E261 VanDerWaalsContact CE1-CG 3.43Å; Y259-Y292 HydrophobicContact CD2-CD2 4.33Å; Y259-Y292 AromaticContact CD2-CE1 3.92Å; Y259-Y292 HydrophobicContact CD2-CE1 3.92Å; Y259-Y292 AromaticContact CD2-CE2 3.6Å; Y259-Y292 HydrophobicContact CD2-CE2 3.6Å; Y259-Y292 AromaticContact CD2-CZ 3.34Å; Y259-Y292 WeakPolarHBondContact CD2-OH 3.4Å; Y259-Y292 HydrophobicContact CE2-CD1 4.17Å; Y259-Y292 AromaticContact CE2-CD2 3.44Å; Y259-Y292 HydrophobicContact CE2-CD2 3.44Å; Y259-Y292 VanDerWaalsContact CE2-CD2 3.44Å; Y259-Y292 AromaticContact CE2-CE1 3.86Å; Y259-Y292 HydrophobicContact CE2-CE1 3.86Å; Y259-Y292 AromaticContact CE2-CE2 3.08Å; Y259-Y292 HydrophobicContact CE2-CE2 3.08Å; Y259-Y292 AromaticContact CE2-CG 3.97Å; Y259-Y292 HydrophobicContact CE2-CG 3.97Å; Y259-Y292 AromaticContact CE2-CZ 3.32Å; Y259-Y292 AromaticContact CZ-CD2 3.9Å; Y259-Y292 AromaticContact CZ-CE2 3.67Å
260	T	95.7	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.169	C	C	.	.			trans	-104.9	108.7	178	-68.5	0	0	0	0	109.5	N156 W158 W254 V263 I290 Y292 V294	N156-T260 CarbonylContact O-C 3.51Å; W158-T260 PolarHBondContact NE1-OG1 2.8Å; W254-T260 HydrophobicContact CE3-CG2 4.41Å; W254-T260 HydrophobicContact CZ3-CG2 4.4Å; T260-V263 HydrophobicContact CG2-CG2 3.74Å; T260-I290 HydrophobicContact CG2-CD1 4.17Å; T260-Y292 PolarHBondContact N-OH 3.2Å; T260-Y292 WeakPolarHBondContact O-CE2 3.45Å; T260-V294 HydrophobicContact CG2-CG1 3.92Å; T260-V294 HydrophobicContact CG2-CG2 4.33Å
261	E	94.6	Very high	94.9	Very high	79 Å²	79	28.5 Å²	28.5	37%	0.369	16%	0.155	S	C	.	.			trans	-85	-35.7	178.1	-84.2	-174.4	165.7	0	0	112.7	N156 Y259 L295	N156-E261 HydrophobicContact CB-CB 4.31Å; N156-E261 HydrophobicContact CB-CG 4.37Å; N156-E261 WeakPolarHBondContact ND2-CG 3.29Å; N156-E261 PolarHBondContact ND2-OE2 3.35Å; N156-E261 PolarHBondContact O-N 3.29Å; Y259-E261 HydrophobicContact CD1-CG 3.63Å; Y259-E261 HydrophobicContact CE1-CG 3.43Å; Y259-E261 VanDerWaalsContact CE1-CG 3.43Å; E261-L295 WeakPolarHBondContact O-CB 3.21Å; E261-L295 PolarHBondContact O-N 2.86Å
262	K	97.1	Very high	95.1	Very high	3 Å²	3	25 Å²	25	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.7	-167.3	-171	-180	-164.6	162.9	0	112.7	N156 R157 W158 I264 L295 D451 E455	N156-K262 PolarHBondContact O-N 3.19Å; R157-K262 WeakPolarHBondContact CA-O 3.42Å; R157-K262 HydrophobicContact CG-CB 4.25Å; W158-K262 PolarHBondContact N-O 3.14Å; K262-I264 HydrophobicContact CD-CG1 4.45Å; K262-I264 HydrophobicContact CG-CG1 4.36Å; K262-L295 VanDerWaalsContact CA-O 3.31Å; K262-L295 WeakPolarHBondContact CA-O 3.33Å; K262-L295 HydrophobicContact CB-CB 4.46Å; K262-L295 HydrophobicContact CD-CD2 4.36Å; K262-L295 HydrophobicContact CG-CB 4.32Å; K262-L295 HydrophobicContact CG-CD2 4.32Å; K262-L295 HydrophobicContact CG-CG 4.28Å; K262-D451 WeakPolarHBondContact CE-OD1 3.33Å; K262-D451 IonicContact NZ-OD1 3.95Å; K262-D451 PolarHBondContact NZ-OD1 3.5Å; K262-D451 IonicContact NZ-OD2 2.74Å; K262-D451 PolarHBondContact NZ-OD2 3.36Å; K262-E455 IonicContact NZ-OE1 3.97Å; K262-E455 PolarHBondContact NZ-OE1 3.17Å
263	V	98.6	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.1	171.7	179.1	0	0	0	0	109.1	W158 I160 W254 T260 F265 L286 V294 L295 V296 S297	W158-V263 HydrophobicContact CB-CG1 4.45Å; W158-V263 HydrophobicContact CB-CG2 4.08Å; W158-V263 HydrophobicContact CG-CG2 4.34Å; I160-V263 HydrophobicContact CD1-CG1 3.8Å; I160-V263 HydrophobicContact CG1-CG1 4.26Å; W254-V263 HydrophobicContact CH2-CG1 4.34Å; W254-V263 HydrophobicContact CH2-CG2 3.96Å; W254-V263 HydrophobicContact CZ3-CG2 3.71Å; T260-V263 HydrophobicContact CG2-CG2 3.74Å; V263-F265 HydrophobicContact CG1-CD2 4.26Å; V263-F265 HydrophobicContact CG1-CE2 3.8Å; V263-F265 HydrophobicContact CG1-CZ 3.99Å; V263-L286 HydrophobicContact CB-CD2 3.88Å; V263-L286 HydrophobicContact CG1-CD2 4.34Å; V263-L286 HydrophobicContact CG2-CD1 4.45Å; V263-L286 HydrophobicContact CG2-CD2 3.6Å; V263-V294 HydrophobicContact CB-CG1 4.46Å; V263-V294 HydrophobicContact CG2-CG1 3.95Å; V263-L295 PolarHBondContact N-O 3.08Å; V263-V296 WeakPolarHBondContact O-CA 3.39Å; V263-S297 PolarHBondContact O-N 2.86Å
264	I	98.8	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.4	174.7	-55.3	179.6	0	0	0	108.3	W158 L159 I160 Y210 F213 K262 S297 I299	W158-I264 PolarHBondContact O-N 2.9Å; L159-I264 HydrophobicContact CD1-CB 4Å; L159-I264 HydrophobicContact CD1-CG2 3.92Å; I160-I264 PolarHBondContact N-O 3.04Å; Y210-I264 HydrophobicContact CD1-CD1 4.18Å; Y210-I264 HydrophobicContact CE1-CD1 3.59Å; F213-I264 HydrophobicContact CE1-CD1 3.9Å; K262-I264 HydrophobicContact CD-CG1 4.45Å; K262-I264 HydrophobicContact CG-CG1 4.36Å; I264-S297 CarbonylContact C-O 3.56Å; I264-S297 WeakPolarHBondContact CA-O 3.42Å; I264-I299 HydrophobicContact CG2-CD1 3.81Å; I264-I299 HydrophobicContact CG2-CG1 3.88Å
265	F	98.9	Very high	95.7	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104	168.5	-71.4	-79.5	0	0	0	109.5	I160 I249 V263 V275 I279 L282 V296 S297 G298 I299	I160-F265 HydrophobicContact CB-CD1 4.03Å; I160-F265 HydrophobicContact CB-CE1 4.18Å; I160-F265 HydrophobicContact CD1-CD1 4.36Å; I160-F265 HydrophobicContact CD1-CE1 3.68Å; I160-F265 HydrophobicContact CD1-CZ 4.06Å; I160-F265 HydrophobicContact CG1-CE1 4.49Å; I160-F265 HydrophobicContact CG2-CD1 4.11Å; I160-F265 HydrophobicContact CG2-CE1 4.17Å; I160-F265 CarbonylContact O-C 3.49Å; I160-F265 WeakPolarHBondContact O-CA 3.31Å; I249-F265 HydrophobicContact CD1-CE1 3.86Å; I249-F265 HydrophobicContact CD1-CZ 3.75Å; V263-F265 HydrophobicContact CG1-CD2 4.26Å; V263-F265 HydrophobicContact CG1-CE2 3.8Å; V263-F265 HydrophobicContact CG1-CZ 3.99Å; F265-V275 HydrophobicContact CB-CG1 4.13Å; F265-V275 HydrophobicContact CB-CG2 4.32Å; F265-V275 WeakPolarHBondContact O-CG1 3.33Å; F265-I279 HydrophobicContact CB-CD1 4.26Å; F265-I279 HydrophobicContact CB-CG1 4.35Å; F265-I279 HydrophobicContact CD2-CD1 4.48Å; F265-I279 HydrophobicContact CD2-CG1 4.02Å; F265-I279 HydrophobicContact CG-CG1 4.46Å; F265-L282 HydrophobicContact CD1-CD1 4.1Å; F265-L282 HydrophobicContact CE1-CB 4.17Å; F265-L282 HydrophobicContact CE1-CD1 3.81Å; F265-L282 HydrophobicContact CE2-CB 4.15Å; F265-L282 HydrophobicContact CZ-CB 3.75Å; F265-L282 HydrophobicContact CZ-CD1 4.27Å; F265-V296 HydrophobicContact CD2-CG1 3.62Å; F265-V296 HydrophobicContact CE2-CG1 3.66Å; F265-S297 PolarHBondContact N-O 2.86Å; F265-G298 CarbonylContact O-C 3.5Å; F265-G298 WeakPolarHBondContact O-CA 3.32Å; F265-I299 PolarHBondContact O-N 2.82Å
266	A	98.9	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	159.1	175.3	0	0	0	0	0	111.5	L159 I160 F161 L162 I299	L159-A266 HydrophobicContact CD1-CB 3.78Å; I160-A266 PolarHBondContact O-N 3.36Å; F161-A266 CarbonylContact C-O 3.59Å; F161-A266 VanDerWaalsContact CA-O 3.26Å; F161-A266 WeakPolarHBondContact CA-O 3.38Å; F161-A266 HydrophobicContact CD2-CB 3.6Å; F161-A266 HydrophobicContact CE2-CB 4.16Å; F161-A266 HydrophobicContact CG-CB 4.42Å; L162-A266 PolarHBondContact N-O 3.34Å; A266-I299 CarbonylContact C-O 3.49Å; A266-I299 WeakPolarHBondContact CA-O 3.31Å; A266-I299 HydrophobicContact CB-CB 4.27Å
267	G	98.9	Very high	96.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	151.5	169.5	0	0	0	0	0	111.8	L162 G272 I299 D301	L162-G267 VanDerWaalsContact O-CA 3.29Å; L162-G267 WeakPolarHBondContact O-CA 3.25Å; G267-G272 VanDerWaalsContact C-N 3.32Å; G267-G272 WeakPolarHBondContact O-CA 3.3Å; G267-I299 PolarHBondContact N-O 2.65Å; G267-I299 VanDerWaalsContact N-O 3.11Å; G267-D301 PolarHBondContact O-N 2.65Å
268	S	98.8	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.9	178.2	-59.7	0	0	0	0	111.2	F161 L162 G164 A270 G271 G272 D301	F161-S268 WeakPolarHBondContact CZ-OG 3.18Å; L162-S268 PolarHBondContact O-N 3.25Å; G164-S268 WeakPolarHBondContact CA-O 3.4Å; G164-S268 PolarHBondContact N-O 3.38Å; S268-A270 PolarHBondContact O-N 3.43Å; S268-G271 VanDerWaalsContact O-CA 3.31Å; S268-G271 WeakPolarHBondContact O-CA 3.46Å; S268-G271 PolarHBondContact O-N 2.9Å; S268-G272 PolarHBondContact O-N 2.86Å; S268-D301 CarbonylContact C-O 3.54Å; S268-D301 WeakPolarHBondContact CA-O 3.44Å; S268-D301 WeakPolarHBondContact OG-CB 3.39Å; S268-D301 PolarHBondContact OG-OD2 3.13Å
269	S	98.5	Very high	98	Very high	5 Å²	5	9 Å²	9	4%	0.035	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-124.2	176.9	-166.8	0	0	0	0	112.6	G271 G272 I273 D301 S302 S303 H425 E426	S269-G271 PolarHBondContact O-N 3.42Å; S269-G271 VanDerWaalsContact O-N 3.14Å; S269-G272 PolarHBondContact O-N 2.81Å; S269-G272 VanDerWaalsContact O-N 3.08Å; S269-I273 PolarHBondContact O-N 3.45Å; S269-I273 VanDerWaalsContact O-N 3.12Å; S269-D301 PolarHBondContact N-O 2.77Å; S269-S302 WeakPolarHBondContact CA-O 3.18Å; S269-S303 PolarHBondContact N-OG 2.83Å; S269-S303 VanDerWaalsContact N-OG 3.17Å; S269-S303 PolarHBondContact O-OG 3.2Å; S269-H425 VanDerWaalsContact CB-NE2 3.29Å; S269-H425 WeakPolarHBondContact CB-NE2 3.38Å; S269-H425 PolarHBondContact OG-CE1 1.98Å; S269-H425 PolarHBondContact OG-NE2 2.98Å; S269-E426 VanDerWaalsContact CB-OE1 3.31Å; S269-E426 WeakPolarHBondContact CB-OE1 3.34Å
270	A	98.6	Very high	98.4	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.017	4%	0.036	C	C	.	.	H	α-helix	trans	-51.8	-35.2	172.5	0	0	0	0	0	112.9	Y220 L225 W226 S268 I273 G274	Y220-A270 HydrophobicContact CE1-CB 4.19Å; L225-A270 HydrophobicContact CD2-CB 3.58Å; W226-A270 VanDerWaalsContact CD1-O 3.28Å; S268-A270 PolarHBondContact O-N 3.43Å; A270-I273 WeakPolarHBondContact O-CB 3.36Å; A270-I273 PolarHBondContact O-N 2.87Å; A270-G274 PolarHBondContact O-N 3.18Å
271	G	98.9	Very high	98.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.6	-42.8	176.2	0	0	0	0	0	113.5	L162 E163 S268 S269 G274 V275	L162-G271 WeakPolarHBondContact CD1-O 3.39Å; L162-G271 WeakPolarHBondContact O-CA 3.23Å; E163-G271 VanDerWaalsContact O-CA 3.29Å; E163-G271 WeakPolarHBondContact O-CA 3.41Å; E163-G271 PolarHBondContact O-N 3.33Å; S268-G271 VanDerWaalsContact O-CA 3.31Å; S268-G271 WeakPolarHBondContact O-CA 3.46Å; S268-G271 PolarHBondContact O-N 2.9Å; S269-G271 PolarHBondContact O-N 3.42Å; S269-G271 VanDerWaalsContact O-N 3.14Å; G271-G274 CarbonylContact O-C 3.53Å; G271-G274 WeakPolarHBondContact O-CA 3.28Å; G271-G274 PolarHBondContact O-N 3.23Å; G271-G274 VanDerWaalsContact O-N 3.08Å; G271-V275 PolarHBondContact O-N 3.36Å
272	G	98.8	Very high	98.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-73.3	-30.7	176.9	0	0	0	0	0	112.6	G267 S268 S269 G274 V275 L276 I300 S303	G267-G272 VanDerWaalsContact C-N 3.32Å; G267-G272 WeakPolarHBondContact O-CA 3.3Å; S268-G272 PolarHBondContact O-N 2.86Å; S269-G272 PolarHBondContact O-N 2.81Å; S269-G272 VanDerWaalsContact O-N 3.08Å; G272-G274 VanDerWaalsContact C-N 3.26Å; G272-G274 PolarHBondContact O-N 3.49Å; G272-V275 WeakPolarHBondContact O-CB 3.46Å; G272-V275 PolarHBondContact O-N 3.39Å; G272-L276 WeakPolarHBondContact O-CG 3.18Å; G272-L276 PolarHBondContact O-N 3.41Å; G272-I300 WeakPolarHBondContact O-CG2 3.34Å; G272-S303 WeakPolarHBondContact CA-OG 3.29Å
273	I	98.8	Very high	98.7	Very high	10 Å²	10	6.4 Å²	6.4	5%	0.051	3%	0.034	C	C	.	.	H	α-helix	trans	-58.8	-42.8	164.2	-62.7	173.7	0	0	0	109.8	L225 S269 A270 V275 L276 M277 F305 Y356	L225-I273 HydrophobicContact CB-CG2 4.24Å; L225-I273 HydrophobicContact CD2-CD1 4.14Å; S269-I273 PolarHBondContact O-N 3.45Å; S269-I273 VanDerWaalsContact O-N 3.12Å; A270-I273 WeakPolarHBondContact O-CB 3.36Å; A270-I273 PolarHBondContact O-N 2.87Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 2.81Å; I273-L276 WeakPolarHBondContact O-CB 3.14Å; I273-L276 PolarHBondContact O-N 2.8Å; I273-M277 HydrophobicContact CG2-CG 4.11Å; I273-M277 WeakPolarHBondContact O-CB 3.42Å; I273-M277 VanDerWaalsContact O-CG 3.24Å; I273-M277 WeakPolarHBondContact O-CG 3.5Å; I273-M277 PolarHBondContact O-N 3.08Å; I273-F305 HydrophobicContact CD1-CD2 3.93Å; I273-F305 HydrophobicContact CD1-CE2 3.97Å; I273-F305 HydrophobicContact CG1-CD2 4.46Å; I273-Y356 HydrophobicContact CG2-CD1 3.96Å
274	G	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.8	-40.5	174.4	0	0	0	0	0	113.5	A270 G271 G272 M277 N278	A270-G274 PolarHBondContact O-N 3.18Å; G271-G274 CarbonylContact O-C 3.53Å; G271-G274 WeakPolarHBondContact O-CA 3.28Å; G271-G274 PolarHBondContact O-N 3.23Å; G271-G274 VanDerWaalsContact O-N 3.08Å; G272-G274 VanDerWaalsContact C-N 3.26Å; G272-G274 PolarHBondContact O-N 3.49Å; G274-M277 PolarHBondContact O-N 3.49Å; G274-N278 VanDerWaalsContact O-CB 3.31Å; G274-N278 WeakPolarHBondContact O-CB 3.3Å; G274-N278 PolarHBondContact O-N 2.94Å; G274-N278 PolarHBondContact O-ND2 3.23Å
275	V	98.9	Very high	98.6	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-60.5	-53.7	172	175.8	0	0	0	0	109.9	L162 F265 G271 G272 I273 M277 N278 I279 I300	L162-V275 HydrophobicContact CD1-CG2 3.84Å; L162-V275 HydrophobicContact CG-CG2 4.19Å; F265-V275 HydrophobicContact CB-CG1 4.13Å; F265-V275 HydrophobicContact CB-CG2 4.32Å; F265-V275 WeakPolarHBondContact O-CG1 3.33Å; G271-V275 PolarHBondContact O-N 3.36Å; G272-V275 WeakPolarHBondContact O-CB 3.46Å; G272-V275 PolarHBondContact O-N 3.39Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 2.81Å; V275-M277 PolarHBondContact O-N 3.4Å; V275-N278 PolarHBondContact O-N 3.22Å; V275-I279 HydrophobicContact CG1-CB 4.2Å; V275-I279 HydrophobicContact CG1-CD1 4.05Å; V275-I279 WeakPolarHBondContact O-CB 3.31Å; V275-I279 WeakPolarHBondContact O-CG2 3.34Å; V275-I279 PolarHBondContact O-N 3.13Å; V275-I300 HydrophobicContact CB-CG2 3.92Å; V275-I300 HydrophobicContact CG1-CG2 3.99Å
276	L	98.8	Very high	98.5	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-54.3	-42.2	178.4	-66.3	174.3	0	0	0	112.1	G272 I273 I300 A358 M361 L365 V369	G272-L276 WeakPolarHBondContact O-CG 3.18Å; G272-L276 PolarHBondContact O-N 3.41Å; I273-L276 WeakPolarHBondContact O-CB 3.14Å; I273-L276 PolarHBondContact O-N 2.8Å; L276-I300 HydrophobicContact CD1-CD1 3.97Å; L276-I300 HydrophobicContact CD2-CD1 3.98Å; L276-I300 HydrophobicContact CD2-CG2 4.34Å; L276-I300 HydrophobicContact CG-CD1 4.14Å; L276-I300 HydrophobicContact CG-CG2 4.19Å; L276-A358 HydrophobicContact CD1-CB 3.68Å; L276-M361 HydrophobicContact CB-CG 4.06Å; L276-L365 HydrophobicContact CD2-CD1 3.69Å; L276-L365 WeakPolarHBondContact O-CD2 3.11Å; L276-V369 HydrophobicContact CD2-CG1 4.4Å
277	M	98.8	Very high	98.3	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-77	-22.4	-175	-69	-63.3	-90.8	0	0	113.9	T227 I273 G274 V275 R281 I339 P340 C355 Y356 M361	T227-M277 HydrophobicContact CG2-CB 3.92Å; T227-M277 HydrophobicContact CG2-CE 3.65Å; T227-M277 HydrophobicContact CG2-CG 3.85Å; I273-M277 HydrophobicContact CG2-CG 4.11Å; I273-M277 WeakPolarHBondContact O-CB 3.42Å; I273-M277 VanDerWaalsContact O-CG 3.24Å; I273-M277 WeakPolarHBondContact O-CG 3.5Å; I273-M277 PolarHBondContact O-N 3.08Å; G274-M277 PolarHBondContact O-N 3.49Å; V275-M277 PolarHBondContact O-N 3.4Å; M277-R281 VanDerWaalsContact O-CZ 3.25Å; M277-R281 PolarHBondContact O-NH2 3.26Å; M277-I339 HydrophobicContact CE-CB 4.21Å; M277-I339 HydrophobicContact CE-CG1 3.94Å; M277-I339 HydrophobicContact CE-CG2 4.14Å; M277-P340 VanDerWaalsContact O-CG 3.29Å; M277-P340 WeakPolarHBondContact O-CG 3.42Å; M277-P340 VanDerWaalsContact SD-CD 3.58Å; M277-P340 HydrophobicContact SD-CG 4.18Å; M277-C355 VanDerWaalsContact SD-O 3.38Å; M277-Y356 HydrophobicContact CE-CD1 4.26Å; M277-Y356 HydrophobicContact CE-CD2 4.18Å; M277-Y356 HydrophobicContact CE-CE1 3.96Å; M277-Y356 HydrophobicContact CE-CE2 3.86Å; M277-Y356 HydrophobicContact CE-CG 4.38Å; M277-M361 HydrophobicContact SD-SD 4.37Å
278	N	98.9	Very high	98.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-125.1	-16.6	-169.7	-64.4	-78.1	0	0	0	115	W226 L245 G274 V275 D280 R281 L282	W226-N278 PolarHBondContact O-ND2 3.28Å; L245-N278 HydrophobicContact CD1-CB 3.86Å; G274-N278 VanDerWaalsContact O-CB 3.31Å; G274-N278 WeakPolarHBondContact O-CB 3.3Å; G274-N278 PolarHBondContact O-N 2.94Å; G274-N278 PolarHBondContact O-ND2 3.23Å; V275-N278 PolarHBondContact O-N 3.22Å; N278-D280 VanDerWaalsContact C-N 3.33Å; N278-D280 PolarHBondContact O-N 3.47Å; N278-D280 VanDerWaalsContact O-N 3.13Å; N278-R281 HydrophobicContact CB-CG 4.41Å; N278-R281 VanDerWaalsContact O-CG 3.25Å; N278-R281 WeakPolarHBondContact O-CG 3.37Å; N278-R281 PolarHBondContact O-N 2.61Å; N278-R281 WeakPolarHBondContact OD1-CD 3.43Å; N278-R281 VanDerWaalsContact OD1-CZ 3.28Å; N278-R281 PolarHBondContact OD1-NH1 3.25Å; N278-L282 HydrophobicContact CB-CD1 3.71Å; N278-L282 HydrophobicContact CB-CG 3.98Å; N278-L282 VanDerWaalsContact O-CG 3.32Å; N278-L282 WeakPolarHBondContact O-CG 3.37Å; N278-L282 PolarHBondContact O-N 3.2Å
279	I	98.8	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-43.3	-169.4	-166.9	171.7	0	0	0	113.8	F265 V275 R281 L282 G283 V296 L365 T367 V369	F265-I279 HydrophobicContact CB-CD1 4.26Å; F265-I279 HydrophobicContact CB-CG1 4.35Å; F265-I279 HydrophobicContact CD2-CD1 4.48Å; F265-I279 HydrophobicContact CD2-CG1 4.02Å; F265-I279 HydrophobicContact CG-CG1 4.46Å; V275-I279 HydrophobicContact CG1-CB 4.2Å; V275-I279 HydrophobicContact CG1-CD1 4.05Å; V275-I279 WeakPolarHBondContact O-CB 3.31Å; V275-I279 WeakPolarHBondContact O-CG2 3.34Å; V275-I279 PolarHBondContact O-N 3.13Å; I279-R281 PolarHBondContact O-N 2.92Å; I279-L282 PolarHBondContact O-N 3.13Å; I279-G283 PolarHBondContact O-N 3.05Å; I279-V296 HydrophobicContact CG1-CG1 4.18Å; I279-L365 HydrophobicContact CG2-CD2 3.94Å; I279-T367 HydrophobicContact CD1-CG2 3.46Å; I279-T367 VanDerWaalsContact CD1-CG2 3.46Å; I279-T367 HydrophobicContact CG1-CG2 3.72Å; I279-V369 HydrophobicContact CD1-CG2 4.07Å
280	D	98.6	Very high	97.8	Very high	39 Å²	39	33.5 Å²	33.5	21%	0.209	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-36.1	179.8	-75.3	-11.3	0	0	0	113.1	N278 K284 R366 T367	N278-D280 VanDerWaalsContact C-N 3.33Å; N278-D280 PolarHBondContact O-N 3.47Å; N278-D280 VanDerWaalsContact O-N 3.13Å; D280-K284 PolarHBondContact O-N 3.26Å; D280-R366 PolarHBondContact OD1-N 2.8Å; D280-R366 VanDerWaalsContact OD1-N 3.15Å; D280-R366 PolarHBondContact OD2-N 3.23Å; D280-T367 WeakPolarHBondContact OD1-CB 3.38Å; D280-T367 PolarHBondContact OD1-N 3.24Å; D280-T367 PolarHBondContact OD1-OG1 2.78Å
281	R	98.2	Very high	97.5	Very high	49 Å²	49	36.2 Å²	36.2	19%	0.185	18%	0.182	C	C	.	.	H	α-helix	trans	-79.2	-33.7	178.7	80.6	-172.3	65.1	157.9	-3.2	111.3	M277 N278 I279 K284 K285 R338	M277-R281 VanDerWaalsContact O-CZ 3.25Å; M277-R281 PolarHBondContact O-NH2 3.26Å; N278-R281 HydrophobicContact CB-CG 4.41Å; N278-R281 VanDerWaalsContact O-CG 3.25Å; N278-R281 WeakPolarHBondContact O-CG 3.37Å; N278-R281 PolarHBondContact O-N 2.61Å; N278-R281 WeakPolarHBondContact OD1-CD 3.43Å; N278-R281 VanDerWaalsContact OD1-CZ 3.28Å; N278-R281 PolarHBondContact OD1-NH1 3.25Å; I279-R281 PolarHBondContact O-N 2.92Å; R281-K284 PolarHBondContact O-N 3.02Å; R281-K285 WeakPolarHBondContact O-CB 3.47Å; R281-K285 PolarHBondContact O-N 3.44Å; R281-R338 VanDerWaalsContact CZ-O 3.29Å; R281-R338 VanDerWaalsContact NH1-CB 3.34Å; R281-R338 PolarHBondContact NH1-O 3.35Å; R281-R338 PolarHBondContact NH2-O 3.3Å
282	L	98.6	Very high	97.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-41.6	175.5	-64.8	174	0	0	0	110.4	L245 I249 F265 N278 I279 K284 K285 L286	L245-L282 HydrophobicContact CB-CD1 4.25Å; L245-L282 HydrophobicContact CB-CD2 3.87Å; L245-L282 HydrophobicContact CD1-CD1 4.17Å; I249-L282 HydrophobicContact CG1-CD2 3.9Å; F265-L282 HydrophobicContact CD1-CD1 4.1Å; F265-L282 HydrophobicContact CE1-CB 4.17Å; F265-L282 HydrophobicContact CE1-CD1 3.81Å; F265-L282 HydrophobicContact CE2-CB 4.15Å; F265-L282 HydrophobicContact CZ-CB 3.75Å; F265-L282 HydrophobicContact CZ-CD1 4.27Å; N278-L282 HydrophobicContact CB-CD1 3.71Å; N278-L282 HydrophobicContact CB-CG 3.98Å; N278-L282 VanDerWaalsContact O-CG 3.32Å; N278-L282 WeakPolarHBondContact O-CG 3.37Å; N278-L282 PolarHBondContact O-N 3.2Å; I279-L282 PolarHBondContact O-N 3.13Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.15Å; L282-K285 PolarHBondContact O-N 3.2Å; L282-K285 VanDerWaalsContact O-N 3.13Å; L282-L286 VanDerWaalsContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.22Å
283	G	98.1	Very high	96.7	Very high	14 Å²	14	42 Å²	42	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-42.9	172.3	0	0	0	0	0	112.6	I279 L286 F287	I279-G283 PolarHBondContact O-N 3.05Å; G283-L286 PolarHBondContact O-N 3.23Å; G283-F287 PolarHBondContact O-N 3Å
284	K	97.6	Very high	96.4	Very high	145 Å²	145	42.3 Å²	42.3	63%	0.63	21%	0.214	S	C	*	.	H	α-helix	trans	-62.9	-43.6	172.8	-176.9	177.7	179.6	179.9	0	112.3	D280 R281 L282 L286 F287 N288	D280-K284 PolarHBondContact O-N 3.26Å; R281-K284 PolarHBondContact O-N 3.02Å; L282-K284 VanDerWaalsContact C-N 3.34Å; L282-K284 PolarHBondContact O-N 3.15Å; K284-L286 VanDerWaalsContact C-N 3.35Å; K284-F287 PolarHBondContact O-N 2.97Å; K284-N288 PolarHBondContact O-N 3.13Å; K284-N288 PolarHBondContact O-OD1 3.45Å
285	K	97.3	Very high	96.3	Very high	56 Å²	56	42.8 Å²	42.8	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-179.9	-173.9	170.5	175.7	55.7	0	111.5	A246 I249 D250 R281 L282 N288 R289	A246-K285 HydrophobicContact CB-CD 3.99Å; A246-K285 WeakPolarHBondContact O-CE 3.17Å; I249-K285 HydrophobicContact CB-CD 4.34Å; I249-K285 HydrophobicContact CG2-CB 4.42Å; I249-K285 HydrophobicContact CG2-CD 4.34Å; I249-K285 HydrophobicContact CG2-CG 4Å; D250-K285 WeakPolarHBondContact OD1-CE 3.34Å; D250-K285 IonicContact OD1-NZ 2.63Å; D250-K285 PolarHBondContact OD1-NZ 2.95Å; D250-K285 WeakPolarHBondContact OD2-CE 3.39Å; D250-K285 IonicContact OD2-NZ 4Å; D250-K285 PolarHBondContact OD2-NZ 3.43Å; R281-K285 WeakPolarHBondContact O-CB 3.47Å; R281-K285 PolarHBondContact O-N 3.44Å; L282-K285 PolarHBondContact O-N 3.2Å; L282-K285 VanDerWaalsContact O-N 3.13Å; K285-N288 PolarHBondContact O-N 3.26Å; K285-R289 WeakPolarHBondContact O-CB 3.43Å; K285-R289 PolarHBondContact O-N 3.07Å
286	L	97.1	Very high	96.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-49.6	174.2	-179.2	68.7	0	0	0	111.2	I249 W254 V263 L282 G283 K284 N288 R289 I290 V294 V296	I249-L286 HydrophobicContact CG2-CB 4.47Å; W254-L286 HydrophobicContact CD2-CD1 4.17Å; W254-L286 HydrophobicContact CE3-CD1 4.28Å; W254-L286 HydrophobicContact CH2-CD1 3.44Å; W254-L286 VanDerWaalsContact CH2-CD1 3.44Å; W254-L286 HydrophobicContact CZ2-CD1 3.31Å; W254-L286 HydrophobicContact CZ3-CD1 3.94Å; V263-L286 HydrophobicContact CB-CD2 3.88Å; V263-L286 HydrophobicContact CG1-CD2 4.34Å; V263-L286 HydrophobicContact CG2-CD1 4.45Å; V263-L286 HydrophobicContact CG2-CD2 3.6Å; L282-L286 VanDerWaalsContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.22Å; G283-L286 PolarHBondContact O-N 3.23Å; K284-L286 VanDerWaalsContact C-N 3.35Å; L286-N288 VanDerWaalsContact C-N 3.3Å; L286-N288 PolarHBondContact O-N 3.42Å; L286-R289 PolarHBondContact O-N 2.88Å; L286-R289 VanDerWaalsContact O-N 3.09Å; L286-I290 HydrophobicContact CD1-CD1 3.36Å; L286-I290 HydrophobicContact CD1-CG1 4.02Å; L286-I290 HydrophobicContact CG-CD1 3.98Å; L286-I290 WeakPolarHBondContact O-CB 2.98Å; L286-I290 PolarHBondContact O-N 2.92Å; L286-V294 HydrophobicContact CD2-CB 4.16Å; L286-V294 HydrophobicContact CD2-CG1 4.04Å; L286-V294 HydrophobicContact CD2-CG2 4.5Å; L286-V296 HydrophobicContact CD2-CG2 3.87Å
287	F	95.2	Very high	96.2	Very high	98 Å²	98	43.5 Å²	43.5	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-55.3	-46.1	174.8	175.5	-95.8	0	0	0	111.7	G283 K284 R289 G291 Y292 P293	G283-F287 PolarHBondContact O-N 3Å; K284-F287 PolarHBondContact O-N 2.97Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.66Å; F287-G291 WeakPolarHBondContact O-CA 3.25Å; F287-G291 PolarHBondContact O-N 2.87Å; F287-Y292 VanDerWaalsContact CD2-C 3.47Å; F287-Y292 WeakPolarHBondContact CD2-O 2.96Å; F287-P293 HydrophobicContact CE2-CG 3.99Å
288	N	95.9	Very high	96.2	Very high	109 Å²	109	43.3 Å²	43.3	58%	0.583	22%	0.22	S	C	*	.	H	α-helix	trans	-66	-33.1	177.7	-70	-0.8	0	0	0	113.1	K284 K285 L286	K284-N288 PolarHBondContact O-N 3.13Å; K284-N288 PolarHBondContact O-OD1 3.45Å; K285-N288 PolarHBondContact O-N 3.26Å; L286-N288 VanDerWaalsContact C-N 3.3Å; L286-N288 PolarHBondContact O-N 3.42Å
289	R	94.8	Very high	96.2	Very high	138 Å²	138	43.3 Å²	43.3	52%	0.521	22%	0.22	S	C	.	.	H	α-helix	trans	-76.2	-41.5	-178.6	179.7	57.7	171.5	169.8	-0.1	112.1	D250 K285 L286 F287	D250-R289 VanDerWaalsContact O-CZ 3.23Å; D250-R289 PolarHBondContact O-NE 2.9Å; D250-R289 PolarHBondContact O-NH2 3.34Å; K285-R289 WeakPolarHBondContact O-CB 3.43Å; K285-R289 PolarHBondContact O-N 3.07Å; L286-R289 PolarHBondContact O-N 2.88Å; L286-R289 VanDerWaalsContact O-N 3.09Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.66Å
290	I	94.1	Very high	96.2	Very high	30 Å²	30	43.3 Å²	43.3	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-90.3	-29.2	-175.1	-69.3	-176.3	0	0	0	112	W254 T260 L286 Y292 V294	W254-I290 HydrophobicContact CB-CD1 4.33Å; W254-I290 HydrophobicContact CB-CG1 4.31Å; W254-I290 HydrophobicContact CD2-CD1 3.77Å; W254-I290 HydrophobicContact CD2-CG1 4.29Å; W254-I290 HydrophobicContact CE3-CD1 3.83Å; W254-I290 HydrophobicContact CG-CD1 3.99Å; W254-I290 HydrophobicContact CG-CG1 4.04Å; W254-I290 HydrophobicContact CZ3-CD1 4.43Å; T260-I290 HydrophobicContact CG2-CD1 4.17Å; L286-I290 HydrophobicContact CD1-CD1 3.36Å; L286-I290 HydrophobicContact CD1-CG1 4.02Å; L286-I290 HydrophobicContact CG-CD1 3.98Å; L286-I290 WeakPolarHBondContact O-CB 2.98Å; L286-I290 PolarHBondContact O-N 2.92Å; I290-Y292 HydrophobicContact CG2-CD1 3.6Å; I290-Y292 HydrophobicContact CG2-CD2 3.84Å; I290-Y292 HydrophobicContact CG2-CE1 3.15Å; I290-Y292 HydrophobicContact CG2-CE2 3.39Å; I290-Y292 HydrophobicContact CG2-CG 3.93Å; I290-Y292 WeakPolarHBondContact CG2-OH 3.42Å; I290-V294 HydrophobicContact CD1-CG2 4.34Å; I290-V294 HydrophobicContact CG2-CG2 4.49Å
291	G	91.8	Very high	96.3	Very high	59 Å²	59	41.4 Å²	41.4	61%	0.608	21%	0.21	S	C	*	.	S	Bend	trans	88.5	4.3	176.3	0	0	0	0	0	115.5	F287	F287-G291 WeakPolarHBondContact O-CA 3.25Å; F287-G291 PolarHBondContact O-N 2.87Å
292	Y	90.5	Very high	96.3	Very high	65 Å²	65	39.1 Å²	39.1	26%	0.255	20%	0.201	S	C	.	.	S	Bend	trans	-147.8	162.4	177.4	56.1	-103.6	0	0	0	113	Y259 T260 F287 I290 V294	Y259-Y292 HydrophobicContact CD2-CD2 4.33Å; Y259-Y292 AromaticContact CD2-CE1 3.92Å; Y259-Y292 HydrophobicContact CD2-CE1 3.92Å; Y259-Y292 AromaticContact CD2-CE2 3.6Å; Y259-Y292 HydrophobicContact CD2-CE2 3.6Å; Y259-Y292 AromaticContact CD2-CZ 3.34Å; Y259-Y292 WeakPolarHBondContact CD2-OH 3.4Å; Y259-Y292 HydrophobicContact CE2-CD1 4.17Å; Y259-Y292 AromaticContact CE2-CD2 3.44Å; Y259-Y292 HydrophobicContact CE2-CD2 3.44Å; Y259-Y292 VanDerWaalsContact CE2-CD2 3.44Å; Y259-Y292 AromaticContact CE2-CE1 3.86Å; Y259-Y292 HydrophobicContact CE2-CE1 3.86Å; Y259-Y292 AromaticContact CE2-CE2 3.08Å; Y259-Y292 HydrophobicContact CE2-CE2 3.08Å; Y259-Y292 AromaticContact CE2-CG 3.97Å; Y259-Y292 HydrophobicContact CE2-CG 3.97Å; Y259-Y292 AromaticContact CE2-CZ 3.32Å; Y259-Y292 AromaticContact CZ-CD2 3.9Å; Y259-Y292 AromaticContact CZ-CE2 3.67Å; T260-Y292 PolarHBondContact N-OH 3.2Å; T260-Y292 WeakPolarHBondContact O-CE2 3.45Å; F287-Y292 VanDerWaalsContact CD2-C 3.47Å; F287-Y292 WeakPolarHBondContact CD2-O 2.96Å; I290-Y292 HydrophobicContact CG2-CD1 3.6Å; I290-Y292 HydrophobicContact CG2-CD2 3.84Å; I290-Y292 HydrophobicContact CG2-CE1 3.15Å; I290-Y292 HydrophobicContact CG2-CE2 3.39Å; I290-Y292 HydrophobicContact CG2-CG 3.93Å; I290-Y292 WeakPolarHBondContact CG2-OH 3.42Å; Y292-V294 HydrophobicContact CD2-CG2 4.06Å; Y292-V294 HydrophobicContact CE2-CG2 3.9Å; Y292-V294 PolarHBondContact O-N 3.13Å
293	P	90.4	Very high	96.3	Very high	57 Å²	57	38.9 Å²	38.9	37%	0.37	20%	0.2	S	C	.	.			trans	-65.2	131.5	179.3	-19.7	32.3	0	0	0	112.9	F287 W458	F287-P293 HydrophobicContact CE2-CG 3.99Å; P293-W458 HydrophobicContact CB-CH2 3.92Å; P293-W458 HydrophobicContact CB-CZ2 4.17Å
294	V	93.6	Very high	96.3	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.097	19%	0.194	C	C	.	.			trans	-123.4	142.1	177.5	179.1	0	0	0	0	108.8	T260 V263 L286 I290 Y292 V296	T260-V294 HydrophobicContact CG2-CG1 3.92Å; T260-V294 HydrophobicContact CG2-CG2 4.33Å; V263-V294 HydrophobicContact CB-CG1 4.46Å; V263-V294 HydrophobicContact CG2-CG1 3.95Å; L286-V294 HydrophobicContact CD2-CB 4.16Å; L286-V294 HydrophobicContact CD2-CG1 4.04Å; L286-V294 HydrophobicContact CD2-CG2 4.5Å; I290-V294 HydrophobicContact CD1-CG2 4.34Å; I290-V294 HydrophobicContact CG2-CG2 4.49Å; Y292-V294 HydrophobicContact CD2-CG2 4.06Å; Y292-V294 HydrophobicContact CE2-CG2 3.9Å; Y292-V294 PolarHBondContact O-N 3.13Å; V294-V296 PolarHBondContact O-N 2.99Å
295	L	96.4	Very high	96.2	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.6	170.9	177.5	54.5	0	0	0	109.3	E261 K262 V263 L454 E455 W458	E261-L295 WeakPolarHBondContact O-CB 3.21Å; E261-L295 PolarHBondContact O-N 2.86Å; K262-L295 VanDerWaalsContact CA-O 3.31Å; K262-L295 WeakPolarHBondContact CA-O 3.33Å; K262-L295 HydrophobicContact CB-CB 4.46Å; K262-L295 HydrophobicContact CD-CD2 4.36Å; K262-L295 HydrophobicContact CG-CB 4.32Å; K262-L295 HydrophobicContact CG-CD2 4.32Å; K262-L295 HydrophobicContact CG-CG 4.28Å; V263-L295 PolarHBondContact N-O 3.08Å; L295-L454 HydrophobicContact CD1-CD1 4.07Å; L295-L454 HydrophobicContact CD1-CD2 4.22Å; L295-L454 HydrophobicContact CD1-CG 4.07Å; L295-L454 HydrophobicContact CD2-CD2 4.34Å; L295-L454 HydrophobicContact CD2-CG 4.22Å; L295-L454 HydrophobicContact CG-CD2 4.47Å; L295-E455 HydrophobicContact CD2-CG 3.83Å; L295-W458 HydrophobicContact CB-CD2 4.03Å; L295-W458 HydrophobicContact CB-CG 3.99Å; L295-W458 HydrophobicContact CD1-CB 3.86Å; L295-W458 HydrophobicContact CD1-CD2 3.96Å; L295-W458 HydrophobicContact CD1-CE3 4.16Å; L295-W458 HydrophobicContact CD1-CG 3.84Å; L295-W458 HydrophobicContact CD2-CB 3.99Å; L295-W458 HydrophobicContact CD2-CG 4.02Å; L295-W458 HydrophobicContact CG-CB 4.41Å; L295-W458 HydrophobicContact CG-CD2 4.47Å; L295-W458 HydrophobicContact CG-CG 4.16Å
296	V	98.2	Very high	96.2	Very high	19 Å²	19	30 Å²	30	12%	0.115	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.8	175.3	-172.6	0	0	0	0	109.3	V263 F265 I279 L286 V294 T367	V263-V296 WeakPolarHBondContact O-CA 3.39Å; F265-V296 HydrophobicContact CD2-CG1 3.62Å; F265-V296 HydrophobicContact CE2-CG1 3.66Å; I279-V296 HydrophobicContact CG1-CG1 4.18Å; L286-V296 HydrophobicContact CD2-CG2 3.87Å; V294-V296 PolarHBondContact O-N 2.99Å; V296-T367 HydrophobicContact CB-CG2 4.05Å; V296-T367 HydrophobicContact CG1-CG2 3.83Å; V296-T367 WeakPolarHBondContact O-CG2 3.19Å
297	S	98.4	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.8	173	60.4	0	0	0	0	111.4	V263 I264 F265 P368 L454	V263-S297 PolarHBondContact O-N 2.86Å; I264-S297 CarbonylContact C-O 3.56Å; I264-S297 WeakPolarHBondContact CA-O 3.42Å; F265-S297 PolarHBondContact N-O 2.86Å; S297-P368 CarbonylContact C-O 3.48Å; S297-P368 WeakPolarHBondContact CA-O 3.46Å; S297-L454 VanDerWaalsContact CB-CD2 3.42Å
298	G	98.7	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.9	177.3	0	0	0	0	0	113	F265 P368 V369 Y370	F265-G298 CarbonylContact O-C 3.5Å; F265-G298 WeakPolarHBondContact O-CA 3.32Å; G298-P368 PolarHBondContact N-O 2.86Å; G298-V369 CarbonylContact O-C 3.48Å; G298-V369 WeakPolarHBondContact O-CA 3.24Å; G298-Y370 PolarHBondContact O-N 2.85Å
299	I	98.8	Very high	95.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.9	167.3	-55.9	175.7	0	0	0	106.8	I199 I264 F265 A266 G267 Y370 V372 L428 I447	I199-I299 HydrophobicContact CD1-CD1 4.42Å; I264-I299 HydrophobicContact CG2-CD1 3.81Å; I264-I299 HydrophobicContact CG2-CG1 3.88Å; F265-I299 PolarHBondContact O-N 2.82Å; A266-I299 CarbonylContact C-O 3.49Å; A266-I299 WeakPolarHBondContact CA-O 3.31Å; A266-I299 HydrophobicContact CB-CB 4.27Å; G267-I299 PolarHBondContact N-O 2.65Å; G267-I299 VanDerWaalsContact N-O 3.11Å; I299-Y370 WeakPolarHBondContact CA-O 2.82Å; I299-V372 HydrophobicContact CG2-CG2 4.35Å; I299-L428 HydrophobicContact CG2-CD1 3.65Å; I299-I447 HydrophobicContact CD1-CG2 3.91Å
300	I	98.9	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.6	175.1	63.5	163	0	0	0	109.7	G272 V275 L276 W304 V369 Y370 I371 V372	G272-I300 WeakPolarHBondContact O-CG2 3.34Å; V275-I300 HydrophobicContact CB-CG2 3.92Å; V275-I300 HydrophobicContact CG1-CG2 3.99Å; L276-I300 HydrophobicContact CD1-CD1 3.97Å; L276-I300 HydrophobicContact CD2-CD1 3.98Å; L276-I300 HydrophobicContact CD2-CG2 4.34Å; L276-I300 HydrophobicContact CG-CD1 4.14Å; L276-I300 HydrophobicContact CG-CG2 4.19Å; I300-W304 HydrophobicContact CD1-CE3 4.26Å; I300-V369 HydrophobicContact CB-CG1 4.45Å; I300-V369 HydrophobicContact CD1-CG1 4.48Å; I300-V369 HydrophobicContact CG1-CG1 3.95Å; I300-V369 HydrophobicContact CG2-CG1 3.89Å; I300-Y370 PolarHBondContact N-O 2.68Å; I300-I371 HydrophobicContact CD1-CG1 4.12Å; I300-I371 HydrophobicContact CD1-CG2 4.44Å; I300-I371 HydrophobicContact CG1-CB 4.35Å; I300-I371 HydrophobicContact CG1-CG1 4.02Å; I300-I371 HydrophobicContact CG1-CG2 4.33Å; I300-V372 PolarHBondContact O-N 3.07Å
301	D	98.8	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.3	179.9	170.5	37	0	0	0	109.5	G267 S268 S269 S303 V372 E426 I427 L428	G267-D301 PolarHBondContact O-N 2.65Å; S268-D301 CarbonylContact C-O 3.54Å; S268-D301 WeakPolarHBondContact CA-O 3.44Å; S268-D301 WeakPolarHBondContact OG-CB 3.39Å; S268-D301 PolarHBondContact OG-OD2 3.13Å; S269-D301 PolarHBondContact N-O 2.77Å; D301-S303 PolarHBondContact O-N 2.97Å; D301-S303 PolarHBondContact O-OG 2.86Å; D301-V372 CarbonylContact C-O 3.6Å; D301-V372 VanDerWaalsContact CA-O 3.26Å; D301-V372 WeakPolarHBondContact CA-O 3.03Å; D301-V372 HydrophobicContact CB-CB 4.19Å; D301-E426 VanDerWaalsContact OD2-CA 3.26Å; D301-E426 WeakPolarHBondContact OD2-CA 3.31Å; D301-I427 PolarHBondContact OD1-N 3.18Å; D301-I427 PolarHBondContact OD2-N 2.86Å; D301-L428 HydrophobicContact CB-CB 4.3Å; D301-L428 HydrophobicContact CB-CD1 3.65Å; D301-L428 HydrophobicContact CB-CG 3.82Å; D301-L428 WeakPolarHBondContact OD2-CB 3.34Å; D301-L428 PolarHBondContact OD2-N 3.39Å
302	S	98.7	Very high	95	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	50.5	38.1	179.9	-82.4	0	0	0	0	114.1	S269 F305 V372 D377 H425 E426	S269-S302 WeakPolarHBondContact CA-O 3.18Å; S302-F305 WeakPolarHBondContact O-CZ 3.26Å; S302-V372 PolarHBondContact N-O 3.35Å; S302-D377 WeakPolarHBondContact CB-OD2 3.18Å; S302-D377 PolarHBondContact OG-OD2 2.78Å; S302-H425 VanDerWaalsContact CB-ND1 3.33Å; S302-H425 WeakPolarHBondContact CB-ND1 3.13Å; S302-H425 WeakPolarHBondContact OG-CA 3.14Å; S302-H425 PolarHBondContact OG-ND1 2.74Å; S302-E426 PolarHBondContact OG-N 2.96Å
303	S	98.5	Very high	94.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-127.9	8.7	-174.7	-52.1	0	0	0	0	112.6	S269 G272 D301 F305 Q373	S269-S303 PolarHBondContact N-OG 2.83Å; S269-S303 VanDerWaalsContact N-OG 3.17Å; S269-S303 PolarHBondContact O-OG 3.2Å; G272-S303 WeakPolarHBondContact CA-OG 3.29Å; D301-S303 PolarHBondContact O-N 2.97Å; D301-S303 PolarHBondContact O-OG 2.86Å; S303-F305 VanDerWaalsContact C-N 3.33Å; S303-F305 PolarHBondContact O-N 2.84Å; S303-Q373 VanDerWaalsContact N-OE1 3.15Å
304	W	98.3	Very high	94.4	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.011	18%	0.179	C	C	.	.			trans	-94.8	62.4	177	-167.3	-84.3	0	0	0	110.6	I300 A358 P359 Y362 I371 Q373 S410 L411 A414	I300-W304 HydrophobicContact CD1-CE3 4.26Å; W304-A358 HydrophobicContact CB-CB 4.19Å; W304-A358 HydrophobicContact CD2-CB 3.63Å; W304-A358 HydrophobicContact CE3-CB 3.37Å; W304-A358 HydrophobicContact CG-CB 4.01Å; W304-A358 HydrophobicContact CZ3-CB 3.94Å; W304-P359 HydrophobicContact CZ2-CB 4.46Å; W304-P359 HydrophobicContact CZ2-CG 4.16Å; W304-Y362 HydrophobicContact CH2-CD1 4.07Å; W304-Y362 HydrophobicContact CH2-CD2 4.24Å; W304-Y362 AromaticContact CH2-CG 3.82Å; W304-Y362 HydrophobicContact CH2-CG 3.82Å; W304-Y362 HydrophobicContact CZ3-CD1 4.27Å; W304-Y362 AromaticContact CZ3-CD2 3.62Å; W304-Y362 HydrophobicContact CZ3-CD2 3.62Å; W304-Y362 HydrophobicContact CZ3-CE2 4.16Å; W304-Y362 AromaticContact CZ3-CG 3.65Å; W304-Y362 HydrophobicContact CZ3-CG 3.65Å; W304-I371 HydrophobicContact CB-CG2 4.19Å; W304-I371 HydrophobicContact CD2-CD1 4.43Å; W304-I371 HydrophobicContact CD2-CG2 4.39Å; W304-I371 HydrophobicContact CE3-CD1 3.52Å; W304-I371 HydrophobicContact CE3-CG1 3.85Å; W304-I371 HydrophobicContact CE3-CG2 4.04Å; W304-I371 HydrophobicContact CG-CG2 4.49Å; W304-I371 HydrophobicContact CH2-CD1 3.92Å; W304-I371 HydrophobicContact CZ3-CD1 3.23Å; W304-I371 HydrophobicContact CZ3-CG1 3.94Å; W304-Q373 HydrophobicContact CB-CB 4.21Å; W304-Q373 HydrophobicContact CB-CG 3.81Å; W304-Q373 VanDerWaalsContact CB-OE1 3.28Å; W304-S410 PolarHBondContact NE1-OG 2.87Å; W304-L411 HydrophobicContact CB-CD2 4.46Å; W304-L411 HydrophobicContact CD2-CD2 3.56Å; W304-L411 HydrophobicContact CD2-CG 4.47Å; W304-L411 HydrophobicContact CE3-CD2 4.15Å; W304-L411 HydrophobicContact CG-CD2 3.69Å; W304-L411 HydrophobicContact CG-CG 4.38Å; W304-L411 HydrophobicContact CZ2-CD2 4.15Å; W304-A414 HydrophobicContact CH2-CB 4.29Å
305	F	96.8	Very high	94.2	Very high	13 Å²	13	42.2 Å²	42.2	6%	0.057	21%	0.21	C	C	.	.			trans	-72.1	135.2	174.9	-60.9	-74.2	0	0	0	110.6	I273 S302 S303 L357 P359 A379 Q380 M383	I273-F305 HydrophobicContact CD1-CD2 3.93Å; I273-F305 HydrophobicContact CD1-CE2 3.97Å; I273-F305 HydrophobicContact CG1-CD2 4.46Å; S302-F305 WeakPolarHBondContact O-CZ 3.26Å; S303-F305 VanDerWaalsContact C-N 3.33Å; S303-F305 PolarHBondContact O-N 2.84Å; F305-L357 HydrophobicContact CB-CD2 3.8Å; F305-P359 WeakPolarHBondContact O-CD 3.26Å; F305-A379 HydrophobicContact CE1-CB 3.87Å; F305-A379 HydrophobicContact CZ-CB 4.07Å; F305-Q380 HydrophobicContact CD1-CB 4.08Å; F305-Q380 HydrophobicContact CE1-CB 4.3Å; F305-M383 HydrophobicContact CD1-CE 3.33Å; F305-M383 HydrophobicContact CD1-SD 4.19Å; F305-M383 HydrophobicContact CE1-CE 3.62Å; F305-M383 HydrophobicContact CG-CE 4.01Å; F305-M383 HydrophobicContact CZ-CE 4.48Å
306	I	95.5	Very high	93.9	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	21%	0.211	C	C	.	.			trans	-105.6	155	178.1	68.8	166	0	0	0	110.3	P359 Q380 L403 E406 V407	I306-P359 HydrophobicContact CG2-CG 3.98Å; I306-Q380 VanDerWaalsContact N-OE1 3.17Å; I306-Q380 PolarHBondContact O-NE2 3.05Å; I306-L403 HydrophobicContact CD1-CD1 3.86Å; I306-L403 HydrophobicContact CG1-CD1 4.18Å; I306-E406 HydrophobicContact CD1-CB 3.45Å; I306-E406 VanDerWaalsContact CD1-CB 3.45Å; I306-V407 HydrophobicContact CD1-CG2 3.88Å; I306-V407 HydrophobicContact CG1-CG2 4.16Å; I306-V407 HydrophobicContact CG2-CG2 4.26Å
307	H	94.3	Very high	93.5	Very high	87 Å²	87	45.8 Å²	45.8	40%	0.403	23%	0.228	S	C	.	.			trans	-84.4	117.6	170.7	-179.7	61.9	0	0	0	109.4	E325 W353 L357 F360	H307-E325 IonicContact CE1-OE2 3.03Å; H307-E325 PolarHBondContact CE1-OE2 3.09Å; H307-W353 AromaticContact CE1-CH2 3.66Å; H307-W353 AromaticContact ND1-CH2 3.54Å; H307-W353 AromaticContact ND1-CZ3 3.89Å; H307-L357 HydrophobicContact CB-CD1 3.64Å; H307-F360 HydrophobicContact CB-CE2 4.14Å
308	I	91.2	Very high	93	Very high	35 Å²	35	47.4 Å²	47.4	18%	0.179	24%	0.237	C	C	.	.			trans	-143.9	142.2	173.5	-167.5	167.7	0	0	0	108.2	Y399 L403	I308-Y399 HydrophobicContact CD1-CE2 4.34Å; I308-Y399 WeakPolarHBondContact CG2-OH 3.47Å; I308-L403 HydrophobicContact CD1-CD1 4.28Å; I308-L403 HydrophobicContact CG2-CD1 4.16Å
309	P	90.4	Very high	92.4	Very high	74 Å²	74	47.7 Å²	47.7	48%	0.481	24%	0.239	S	C	.	.			trans	-59	136.4	171.1	-23.8	34.7	0	0	0	110.6	Y399	P309-Y399 PolarHBondContact O-OH 3.26Å
310	P	89.6	Confident	91.9	Very high	42 Å²	42	51.9 Å²	51.9	27%	0.273	26%	0.258	S	S	.	.			trans	-63.2	152.2	178.5	29.4	-36	0	0	0	110.9	Q312 P323	P310-Q312 PolarHBondContact O-N 3.22Å; P310-P323 HydrophobicContact CG-CG 4.2Å
311	Y	91.9	Very high	91.3	Very high	59 Å²	59	55.1 Å²	55.1	23%	0.231	27%	0.273	C	S	.	.	S	Bend	trans	-60.7	-35.2	179	175.5	-112.1	0	0	0	112.8	S384 V386 T393 S395 K396 Y399	Y311-S384 WeakPolarHBondContact CB-O 3.35Å; Y311-S384 PolarHBondContact N-O 3.38Å; Y311-S384 VanDerWaalsContact N-O 3.07Å; Y311-V386 HydrophobicContact CD1-CG1 3.84Å; Y311-V386 HydrophobicContact CD2-CG1 4.35Å; Y311-V386 HydrophobicContact CG-CG1 3.6Å; Y311-T393 PolarHBondContact OH-OG1 2.95Å; Y311-S395 PolarHBondContact OH-OG 3.16Å; Y311-K396 HydrophobicContact CE1-CB 4.08Å; Y311-K396 HydrophobicContact CE1-CG 4.18Å; Y311-K396 HydrophobicContact CE2-CB 4.3Å; Y311-Y399 AromaticContact CD2-CD2 3.94Å; Y311-Y399 HydrophobicContact CD2-CD2 3.94Å; Y311-Y399 AromaticContact CD2-CG 3.86Å; Y311-Y399 HydrophobicContact CD2-CG 3.86Å; Y311-Y399 HydrophobicContact CG-CG 4.39Å
312	Q	87.7	Confident	90.8	Very high	114 Å²	114	55.1 Å²	55.1	53%	0.533	27%	0.273	S	S	.	.	S	Bend	trans	-137.6	147.3	178.6	-75.4	172.8	-12	0	0	110.7	P310 K385	P310-Q312 PolarHBondContact O-N 3.22Å; Q312-K385 VanDerWaalsContact O-CD 3.31Å; Q312-K385 WeakPolarHBondContact O-CD 3.35Å; Q312-K385 WeakPolarHBondContact O-CE 3.37Å; Q312-K385 PolarHBondContact O-NZ 3.01Å
313	E	85.3	Confident	90.3	Very high	191 Å²	191	56.3 Å²	56.3	89%	0.893	28%	0.28	S	S	*	.			trans	-73	143.5	170.6	-66.8	-175.4	-176.7	0	0	110.6
314	S	83	Confident	89.8	Confident	52 Å²	52	57 Å²	57	36%	0.364	29%	0.285	S	S	.	.			trans	-158.9	161.2	170.5	77.8	0	0	0	0	108.5	C316 K385	S314-C316 PolarHBondContact O-N 3.07Å; S314-K385 VanDerWaalsContact CB-NZ 3.28Å; S314-K385 WeakPolarHBondContact OG-CE 3.4Å; S314-K385 PolarHBondContact OG-NZ 2.75Å
315	K	87.9	Confident	89.5	Confident	175 Å²	175	61.2 Å²	61.2	76%	0.761	31%	0.305	S	S	*	.			trans	-67.2	131.5	175.7	-64	-177.5	-179.7	-179.5	0	109.7	I317	K315-I317 VanDerWaalsContact C-N 3.28Å; K315-I317 HydrophobicContact CB-CG2 3.83Å; K315-I317 PolarHBondContact O-N 3.23Å
316	C	90.2	Very high	89.2	Confident	10 Å²	10	64.3 Å²	64.3	7%	0.068	32%	0.32	C	S	.	.			trans	-76.7	81.5	172.7	171	0	0	0	0	109.8	S314 C322 E326 R330	S314-C316 PolarHBondContact O-N 3.07Å; C316-C322 WeakPolarHBondContact CA-SG 3.08Å; C316-C322 HydrophobicContact CB-CB 3.96Å; C316-C322 WeakPolarHBondContact CB-SG 3.45Å; C316-C322 WeakPolarHBondContact SG-CB 3.35Å; C316-C322 CovalentContact SG-SG 2.01Å; C316-C322 PolarHBondContact SG-SG 3.23Å; C316-E326 HydrophobicContact CB-CG 4.37Å; C316-E326 WeakPolarHBondContact CB-OE1 3.29Å; C316-E326 WeakPolarHBondContact CB-OE2 3.43Å; C316-E326 VanDerWaalsContact SG-CD 3.56Å; C316-E326 PolarHBondContact SG-OE1 2.85Å; C316-E326 VanDerWaalsContact SG-OE1 3.42Å; C316-R330 PolarHBondContact O-NH1 2.8Å; C316-R330 PolarHBondContact SG-NH1 3.32Å; C316-R330 VanDerWaalsContact SG-NH1 3.38Å
317	I	90	Very high	89.2	Confident	94 Å²	94	63.8 Å²	63.8	48%	0.482	32%	0.317	S	S	.	.			trans	-95	-26.2	-178	57.7	170.7	0	0	0	113.1	T173 K315	T173-I317 WeakPolarHBondContact CG2-O 3.07Å; K315-I317 VanDerWaalsContact C-N 3.28Å; K315-I317 HydrophobicContact CB-CG2 3.83Å; K315-I317 PolarHBondContact O-N 3.23Å
318	N	89	Confident	89.3	Confident	35 Å²	35	59.9 Å²	59.9	19%	0.187	30%	0.299	C	S	.	.	S	Bend	trans	-147.7	158.2	-179.2	67.8	56.8	0	0	0	110.2	F320 E321 C322	N318-F320 HydrophobicContact CB-CD2 4.3Å; N318-F320 PolarHBondContact O-N 2.91Å; N318-F320 VanDerWaalsContact O-N 3.1Å; N318-F320 WeakPolarHBondContact OD1-CB 3.49Å; N318-F320 WeakPolarHBondContact OD1-CD2 3.34Å; N318-F320 PolarHBondContact OD1-N 3.02Å; N318-E321 PolarHBondContact ND2-OE1 2.76Å; N318-E321 PolarHBondContact O-N 2.88Å; N318-E321 PolarHBondContact OD1-N 2.8Å; N318-C322 WeakPolarHBondContact O-CB 3.38Å; N318-C322 PolarHBondContact O-N 3.26Å; N318-C322 VanDerWaalsContact O-N 3.13Å; N318-C322 PolarHBondContact O-SG 2.89Å
319	A	86.6	Confident	89.5	Confident	5 Å²	5	60.4 Å²	60.4	4%	0.041	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.3	-174.6	0	0	0	0	0	114.5	W166 Y167 F169	W166-A319 HydrophobicContact CE3-CB 4.42Å; W166-A319 VanDerWaalsContact CZ3-O 3.29Å; W166-A319 WeakPolarHBondContact CZ3-O 3.36Å; Y167-A319 HydrophobicContact CD2-CB 4.1Å; Y167-A319 HydrophobicContact CE2-CB 4.11Å; Y167-A319 HydrophobicContact CG-CB 4.45Å; Y167-A319 WeakPolarHBondContact O-CB 3.48Å; F169-A319 HydrophobicContact CD1-CB 4.41Å; F169-A319 HydrophobicContact CE1-CB 4.28Å
320	F	86.6	Confident	89.7	Confident	90 Å²	90	60.6 Å²	60.6	40%	0.395	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.9	-177.3	-42.2	-82.3	0	0	0	112.3	W166 N318 Q382	W166-F320 HydrophobicContact CB-CE1 3.96Å; W166-F320 AromaticContact CD1-CD1 3.88Å; W166-F320 AromaticContact CD1-CE1 3.39Å; W166-F320 AromaticContact CD2-CD1 3.36Å; W166-F320 HydrophobicContact CD2-CD1 3.36Å; W166-F320 AromaticContact CD2-CE1 3.58Å; W166-F320 HydrophobicContact CD2-CE1 3.58Å; W166-F320 HydrophobicContact CD2-CG 4.43Å; W166-F320 AromaticContact CE2-CD1 3.35Å; W166-F320 AromaticContact CE2-CE1 3.74Å; W166-F320 AromaticContact CE3-CD1 3.79Å; W166-F320 HydrophobicContact CE3-CD1 3.79Å; W166-F320 HydrophobicContact CE3-CE1 4.33Å; W166-F320 HydrophobicContact CE3-CG 4.49Å; W166-F320 AromaticContact CG-CD1 3.72Å; W166-F320 HydrophobicContact CG-CD1 3.72Å; W166-F320 AromaticContact CG-CE1 3.37Å; W166-F320 HydrophobicContact CG-CE1 3.37Å; W166-F320 HydrophobicContact CG-CZ 4.38Å; W166-F320 HydrophobicContact CH2-CB 4.34Å; W166-F320 HydrophobicContact CH2-CD1 4.15Å; W166-F320 AromaticContact CZ2-CD1 3.76Å; W166-F320 HydrophobicContact CZ2-CD1 3.76Å; W166-F320 HydrophobicContact CZ3-CB 4.4Å; W166-F320 HydrophobicContact CZ3-CD1 4.17Å; W166-F320 AromaticContact NE1-CD1 3.65Å; W166-F320 AromaticContact NE1-CE1 3.59Å; N318-F320 HydrophobicContact CB-CD2 4.3Å; N318-F320 PolarHBondContact O-N 2.91Å; N318-F320 VanDerWaalsContact O-N 3.1Å; N318-F320 WeakPolarHBondContact OD1-CB 3.49Å; N318-F320 WeakPolarHBondContact OD1-CD2 3.34Å; N318-F320 PolarHBondContact OD1-N 3.02Å; F320-Q382 HydrophobicContact CB-CG 4.33Å; F320-Q382 WeakPolarHBondContact O-CG 2.99Å
321	E	86.1	Confident	90.1	Very high	67 Å²	67	58.6 Å²	58.6	31%	0.313	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.2	-178.9	-69.6	171.9	-143.9	0	0	113.6	N318 K385	N318-E321 PolarHBondContact ND2-OE1 2.76Å; N318-E321 PolarHBondContact O-N 2.88Å; N318-E321 PolarHBondContact OD1-N 2.8Å; E321-K385 VanDerWaalsContact O-CE 3.32Å; E321-K385 WeakPolarHBondContact O-CE 3.28Å
322	C	90.2	Very high	90.3	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-72.6	133.1	178.3	-71.9	0	0	0	0	111.9	F169 C316 N318	F169-C322 HydrophobicContact CE1-CB 4.28Å; F169-C322 WeakPolarHBondContact CE1-SG 3.43Å; F169-C322 WeakPolarHBondContact CZ-SG 3.39Å; C316-C322 WeakPolarHBondContact CA-SG 3.08Å; C316-C322 HydrophobicContact CB-CB 3.96Å; C316-C322 WeakPolarHBondContact CB-SG 3.45Å; C316-C322 WeakPolarHBondContact SG-CB 3.35Å; C316-C322 CovalentContact SG-SG 2.01Å; C316-C322 PolarHBondContact SG-SG 3.23Å; N318-C322 WeakPolarHBondContact O-CB 3.38Å; N318-C322 PolarHBondContact O-N 3.26Å; N318-C322 VanDerWaalsContact O-N 3.13Å; N318-C322 PolarHBondContact O-SG 2.89Å
323	P	88	Confident	90.6	Very high	25 Å²	25	59 Å²	59	16%	0.162	28%	0.281	C	S	.	.			trans	-55.1	141.6	162.3	-22.9	34.3	0	0	0	110.2	P310 E325 E326 G327	P310-P323 HydrophobicContact CG-CG 4.2Å; P323-E325 PolarHBondContact O-N 2.78Å; P323-E326 PolarHBondContact O-N 3.06Å; P323-E326 VanDerWaalsContact O-N 3.17Å; P323-G327 PolarHBondContact O-N 2.86Å
324	P	87.1	Confident	91.1	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-37.8	-178.6	-29	35.7	0	0	0	113.4	E326 I328 L357 M383	P324-E326 PolarHBondContact O-N 2.85Å; P324-I328 HydrophobicContact CB-CD1 3.99Å; P324-I328 WeakPolarHBondContact O-CB 3.48Å; P324-I328 WeakPolarHBondContact O-CD1 3.49Å; P324-I328 WeakPolarHBondContact O-CG1 3.33Å; P324-I328 PolarHBondContact O-N 2.73Å; P324-L357 HydrophobicContact CB-CD2 4.04Å; P324-M383 HydrophobicContact CG-CE 3.78Å; P324-M383 HydrophobicContact CG-CG 4.34Å; P324-M383 HydrophobicContact CG-SD 3.14Å; P324-M383 WeakPolarHBondContact CG-SD 3.46Å
325	E	91.2	Very high	91.8	Very high	91 Å²	91	49.2 Å²	49.2	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-54	-55	177.2	167.8	165	-160.8	0	0	111.4	H307 P323 H329 W353	H307-E325 IonicContact CE1-OE2 3.03Å; H307-E325 PolarHBondContact CE1-OE2 3.09Å; P323-E325 PolarHBondContact O-N 2.78Å; E325-H329 WeakPolarHBondContact O-CB 3.22Å; E325-H329 PolarHBondContact O-N 2.86Å; E325-W353 HydrophobicContact CB-CD2 4.19Å; E325-W353 HydrophobicContact CB-CE3 4.16Å; E325-W353 HydrophobicContact CB-CH2 3.83Å; E325-W353 HydrophobicContact CB-CZ2 3.82Å; E325-W353 HydrophobicContact CB-CZ3 3.98Å; E325-W353 HydrophobicContact CG-CD2 4.18Å; E325-W353 HydrophobicContact CG-CH2 4.07Å; E325-W353 HydrophobicContact CG-CZ2 3.53Å; E325-W353 WeakPolarHBondContact OE1-CZ2 3.33Å
326	E	92.2	Very high	92.2	Very high	78 Å²	78	43.7 Å²	43.7	36%	0.364	21%	0.208	S	C	.	.	H	α-helix	trans	-70.7	-51.1	-176.6	-167.1	-168.5	150.1	0	0	111.6	C316 P323 P324 I328 H329 R330	C316-E326 HydrophobicContact CB-CG 4.37Å; C316-E326 WeakPolarHBondContact CB-OE1 3.29Å; C316-E326 WeakPolarHBondContact CB-OE2 3.43Å; C316-E326 VanDerWaalsContact SG-CD 3.56Å; C316-E326 PolarHBondContact SG-OE1 2.85Å; C316-E326 VanDerWaalsContact SG-OE1 3.42Å; P323-E326 PolarHBondContact O-N 3.06Å; P323-E326 VanDerWaalsContact O-N 3.17Å; P324-E326 PolarHBondContact O-N 2.85Å; E326-I328 PolarHBondContact O-N 3.15Å; E326-H329 PolarHBondContact O-N 3.06Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 3.33Å; E326-R330 IonicContact OE1-NH1 3.87Å; E326-R330 PolarHBondContact OE1-NH1 3.32Å
327	G	94.4	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-42	-175.5	0	0	0	0	0	112.4	F169 P323 G331	F169-G327 VanDerWaalsContact CB-O 3.3Å; F169-G327 WeakPolarHBondContact CB-O 3.41Å; P323-G327 PolarHBondContact O-N 2.86Å; G327-G331 PolarHBondContact O-N 3.39Å
328	I	96.3	Very high	92.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-73	-41.5	177.4	-60.9	170.5	0	0	0	110	L225 P324 E326 R330 G331 M332 W353 Y356	L225-I328 HydrophobicContact CD1-CD1 4.47Å; L225-I328 HydrophobicContact CD1-CG1 4.28Å; P324-I328 HydrophobicContact CB-CD1 3.99Å; P324-I328 WeakPolarHBondContact O-CB 3.48Å; P324-I328 WeakPolarHBondContact O-CD1 3.49Å; P324-I328 WeakPolarHBondContact O-CG1 3.33Å; P324-I328 PolarHBondContact O-N 2.73Å; E326-I328 PolarHBondContact O-N 3.15Å; I328-R330 PolarHBondContact O-N 3.49Å; I328-G331 PolarHBondContact O-N 3.13Å; I328-M332 HydrophobicContact CG2-CG 4.07Å; I328-M332 HydrophobicContact CG2-SD 4.17Å; I328-M332 WeakPolarHBondContact O-CB 3.42Å; I328-M332 WeakPolarHBondContact O-CG 3.26Å; I328-M332 PolarHBondContact O-N 2.76Å; I328-W353 HydrophobicContact CB-CB 4.17Å; I328-W353 HydrophobicContact CG2-CB 3.8Å; I328-Y356 HydrophobicContact CD1-CG 4.31Å; I328-Y356 HydrophobicContact CG2-CD1 4.19Å; I328-Y356 HydrophobicContact CG2-CD2 3.41Å; I328-Y356 VanDerWaalsContact CG2-CD2 3.41Å; I328-Y356 HydrophobicContact CG2-CE2 3.8Å; I328-Y356 HydrophobicContact CG2-CG 3.62Å
329	H	95.4	Very high	93.4	Very high	46 Å²	46	45 Å²	45	21%	0.213	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-42.1	178.7	-177	-99.1	0	0	0	112.5	E325 E326 E350 W353	E325-H329 WeakPolarHBondContact O-CB 3.22Å; E325-H329 PolarHBondContact O-N 2.86Å; E326-H329 PolarHBondContact O-N 3.06Å; H329-E350 PolarHBondContact CD2-O 2.98Å; H329-E350 VanDerWaalsContact CD2-O 3.29Å; H329-E350 IonicContact CE1-OE2 3.98Å; H329-E350 IonicContact NE2-OE2 3.61Å; H329-E350 PolarHBondContact NE2-OE2 3.22Å; H329-W353 HydrophobicContact CB-CB 4.42Å; H329-W353 HydrophobicContact CB-CG 4.47Å; H329-W353 AromaticContact CD2-CD1 3.94Å
330	R	95.5	Very high	93.9	Very high	77 Å²	77	45.5 Å²	45.5	29%	0.291	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-52.7	171.3	-71.8	168.4	69	173.4	-0.4	110.8	F169 D170 C316 E326 I328 M332 K333 F334	F169-R330 HydrophobicContact CB-CB 4.16Å; F169-R330 HydrophobicContact CD2-CB 4.22Å; F169-R330 VanDerWaalsContact CE2-NH2 3.27Å; F169-R330 HydrophobicContact CG-CB 4.4Å; D170-R330 IonicContact OD2-CZ 2.77Å; D170-R330 IonicContact OD2-NE 2.95Å; D170-R330 IonicContact OD2-NH2 3.81Å; D170-R330 PolarHBondContact OD2-NH2 2.88Å; C316-R330 PolarHBondContact O-NH1 2.8Å; C316-R330 PolarHBondContact SG-NH1 3.32Å; C316-R330 VanDerWaalsContact SG-NH1 3.38Å; E326-R330 WeakPolarHBondContact O-CB 3.45Å; E326-R330 WeakPolarHBondContact O-CG 3.26Å; E326-R330 PolarHBondContact O-N 3.33Å; E326-R330 IonicContact OE1-NH1 3.87Å; E326-R330 PolarHBondContact OE1-NH1 3.32Å; I328-R330 PolarHBondContact O-N 3.49Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 2.98Å; R330-K333 WeakPolarHBondContact O-CB 3.47Å; R330-K333 PolarHBondContact O-N 3.41Å; R330-F334 PolarHBondContact O-N 3.46Å
331	G	96.9	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-38.4	-178.9	0	0	0	0	0	113	G327 I328 K333 F334 W335	G327-G331 PolarHBondContact O-N 3.39Å; I328-G331 PolarHBondContact O-N 3.13Å; G331-K333 PolarHBondContact O-N 2.84Å; G331-F334 CarbonylContact O-C 3.58Å; G331-F334 WeakPolarHBondContact O-CA 3.35Å; G331-F334 WeakPolarHBondContact O-CB 3.5Å; G331-F334 PolarHBondContact O-N 3.44Å; G331-W335 VanDerWaalsContact CA-CE2 3.46Å; G331-W335 WeakPolarHBondContact O-CB 3.47Å; G331-W335 PolarHBondContact O-N 3.35Å
332	M	96.8	Very high	95	Very high	27 Å²	27	47.6 Å²	47.6	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-33.2	177	-76.5	-178.6	50	0	0	113.7	I328 R330 F334 N336 P337 I339 K352 W353 Y356	I328-M332 HydrophobicContact CG2-CG 4.07Å; I328-M332 HydrophobicContact CG2-SD 4.17Å; I328-M332 WeakPolarHBondContact O-CB 3.42Å; I328-M332 WeakPolarHBondContact O-CG 3.26Å; I328-M332 PolarHBondContact O-N 2.76Å; R330-M332 VanDerWaalsContact C-N 3.28Å; R330-M332 PolarHBondContact O-N 2.98Å; M332-F334 VanDerWaalsContact C-N 3.3Å; M332-N336 PolarHBondContact O-N 3.23Å; M332-P337 HydrophobicContact CB-CG 4.17Å; M332-P337 HydrophobicContact CE-CG 4.37Å; M332-P337 HydrophobicContact CG-CG 4Å; M332-P337 WeakPolarHBondContact O-CD 3.24Å; M332-I339 HydrophobicContact CE-CD1 3.56Å; M332-I339 HydrophobicContact SD-CD1 4.25Å; M332-K352 HydrophobicContact CE-CB 3.57Å; M332-K352 HydrophobicContact SD-CB 4.41Å; M332-W353 VanDerWaalsContact SD-CA 3.53Å; M332-W353 HydrophobicContact SD-CB 3.91Å; M332-W353 PolarHBondContact SD-N 3.47Å; M332-Y356 HydrophobicContact CG-CE2 3.84Å; M332-Y356 HydrophobicContact SD-CD2 4.35Å; M332-Y356 HydrophobicContact SD-CE2 3.8Å
333	K	94.4	Very high	95.4	Very high	155 Å²	155	47.6 Å²	47.6	67%	0.674	22%	0.221	S	C	*	.	H	α-helix	trans	-69.2	-34.9	174.7	-62.8	175.7	-174.3	172.9	0	110.5	R330 G331	R330-K333 WeakPolarHBondContact O-CB 3.47Å; R330-K333 PolarHBondContact O-N 3.41Å; G331-K333 PolarHBondContact O-N 2.84Å
334	F	95	Very high	95.9	Very high	37 Å²	37	51.6 Å²	51.6	16%	0.162	23%	0.233	C	C	.	.	H	α-helix	trans	-81.5	-44.7	-177.6	-155.2	-135.6	0	0	0	113.3	S234 F237 F239 R330 G331 M332	S234-F334 VanDerWaalsContact CB-O 3.26Å; S234-F334 WeakPolarHBondContact CB-O 3.41Å; S234-F334 WeakPolarHBondContact O-CZ 3.38Å; S234-F334 PolarHBondContact OG-O 2.85Å; F237-F334 HydrophobicContact CD2-CE1 4.17Å; F237-F334 HydrophobicContact CD2-CZ 4.1Å; F239-F334 HydrophobicContact CE1-CD1 4.32Å; F239-F334 AromaticContact CE2-CD1 3.51Å; F239-F334 HydrophobicContact CE2-CD1 3.51Å; F239-F334 AromaticContact CE2-CE1 3.5Å; F239-F334 HydrophobicContact CE2-CE1 3.5Å; F239-F334 VanDerWaalsContact CE2-CE1 3.5Å; F239-F334 HydrophobicContact CE2-CG 4.13Å; F239-F334 HydrophobicContact CE2-CZ 4.08Å; F239-F334 AromaticContact CZ-CD1 3.36Å; F239-F334 HydrophobicContact CZ-CD1 3.36Å; F239-F334 AromaticContact CZ-CE1 3.33Å; F239-F334 HydrophobicContact CZ-CE1 3.33Å; F239-F334 HydrophobicContact CZ-CG 4.37Å; F239-F334 HydrophobicContact CZ-CZ 4.29Å; R330-F334 PolarHBondContact O-N 3.46Å; G331-F334 CarbonylContact O-C 3.58Å; G331-F334 WeakPolarHBondContact O-CA 3.35Å; G331-F334 WeakPolarHBondContact O-CB 3.5Å; G331-F334 PolarHBondContact O-N 3.44Å; M332-F334 VanDerWaalsContact C-N 3.3Å
335	W	97.5	Very high	96.4	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-79.6	-19.1	-175.4	-48	-29.6	0	0	0	114.4	Y167 C168 F169 D224 L225 G228 F239 G331 Y356	Y167-W335 AromaticContact CD2-CH2 3.64Å; Y167-W335 HydrophobicContact CD2-CH2 3.64Å; Y167-W335 AromaticContact CD2-CZ2 3.51Å; Y167-W335 HydrophobicContact CD2-CZ2 3.51Å; Y167-W335 HydrophobicContact CE2-CH2 4.11Å; Y167-W335 HydrophobicContact CE2-CZ2 4.29Å; Y167-W335 AromaticContact CG-CH2 3.94Å; Y167-W335 HydrophobicContact CG-CH2 3.94Å; Y167-W335 AromaticContact CG-CZ2 3.94Å; Y167-W335 HydrophobicContact CG-CZ2 3.94Å; C168-W335 WeakPolarHBondContact O-CZ2 3.07Å; C168-W335 PolarHBondContact O-NE1 3.15Å; F169-W335 HydrophobicContact CB-CZ2 4.41Å; D224-W335 HydrophobicContact CB-CB 3.77Å; D224-W335 HydrophobicContact CB-CD2 3.86Å; D224-W335 HydrophobicContact CB-CE3 4.39Å; D224-W335 HydrophobicContact CB-CG 3.55Å; L225-W335 HydrophobicContact CD1-CH2 3.99Å; L225-W335 HydrophobicContact CD1-CZ3 4.02Å; L225-W335 HydrophobicContact CG-CH2 4.27Å; L225-W335 HydrophobicContact CG-CZ3 4.36Å; G228-W335 WeakPolarHBondContact CA-O 2.99Å; F239-W335 HydrophobicContact CB-CB 4.18Å; F239-W335 AromaticContact CD1-CD1 3.37Å; F239-W335 HydrophobicContact CD1-CG 4.19Å; F239-W335 AromaticContact CE1-CD1 3.51Å; F239-W335 AromaticContact CE1-NE1 3.87Å; F239-W335 HydrophobicContact CG-CB 4.31Å; F239-W335 AromaticContact CG-CD1 3.79Å; F239-W335 HydrophobicContact CG-CG 4.4Å; G331-W335 VanDerWaalsContact CA-CE2 3.46Å; G331-W335 WeakPolarHBondContact O-CB 3.47Å; G331-W335 PolarHBondContact O-N 3.35Å; W335-Y356 HydrophobicContact CZ3-CE1 4.17Å
336	N	96.3	Very high	96.7	Very high	59 Å²	59	57.2 Å²	57.2	32%	0.316	27%	0.265	S	S	.	.			trans	47.7	65.6	-171.1	-175.3	12.1	0	0	0	112.5	K229 M230 M332	K229-N336 WeakPolarHBondContact CD-O 3.32Å; K229-N336 WeakPolarHBondContact CE-O 3.49Å; K229-N336 WeakPolarHBondContact CE-OD1 3.21Å; K229-N336 VanDerWaalsContact CG-O 3.26Å; K229-N336 WeakPolarHBondContact CG-O 3.3Å; K229-N336 PolarHBondContact NZ-O 3.42Å; K229-N336 PolarHBondContact NZ-OD1 3.06Å; M230-N336 HydrophobicContact CB-CB 4.23Å; M230-N336 HydrophobicContact SD-CB 4.32Å; M332-N336 PolarHBondContact O-N 3.23Å
337	P	97.9	Very high	96.9	Very high	14 Å²	14	55 Å²	55	9%	0.091	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-73.1	158.8	-163.4	31.7	-40.2	0	0	0	113.6	T227 K229 M332 I339 Y356	T227-P337 CarbonylContact O-C 3.57Å; T227-P337 WeakPolarHBondContact O-CA 3.38Å; T227-P337 WeakPolarHBondContact OG1-CB 3.29Å; K229-P337 PolarHBondContact NZ-O 2.94Å; M332-P337 HydrophobicContact CB-CG 4.17Å; M332-P337 HydrophobicContact CE-CG 4.37Å; M332-P337 HydrophobicContact CG-CG 4Å; M332-P337 WeakPolarHBondContact O-CD 3.24Å; P337-I339 HydrophobicContact CB-CG1 4.22Å; P337-I339 HydrophobicContact CG-CD1 4.22Å; P337-I339 HydrophobicContact CG-CG1 4.08Å; P337-Y356 WeakPolarHBondContact CB-OH 3.21Å; P337-Y356 WeakPolarHBondContact CG-OH 3.25Å
338	R	97.8	Very high	97	Very high	138 Å²	138	58.6 Å²	58.6	52%	0.521	28%	0.278	S	S	.	.			trans	-100.7	84.9	167.9	-170.2	176.4	176	157.3	2.9	109.5	T227 K229 R281	T227-R338 PolarHBondContact O-N 2.8Å; K229-R338 HydrophobicContact CB-CB 3.86Å; K229-R338 HydrophobicContact CD-CB 3.84Å; K229-R338 HydrophobicContact CD-CG 4.44Å; K229-R338 HydrophobicContact CG-CB 4.45Å; R281-R338 VanDerWaalsContact CZ-O 3.29Å; R281-R338 VanDerWaalsContact NH1-CB 3.34Å; R281-R338 PolarHBondContact NH1-O 3.35Å; R281-R338 PolarHBondContact NH2-O 3.3Å
339	I	98.2	Very high	96.9	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.072	31%	0.308	C	S	.	.			trans	-76.5	137.2	176.1	-55.3	179.4	0	0	0	110.5	M277 M332 P337 K341 R344 K352 C355 Y356	M277-I339 HydrophobicContact CE-CB 4.21Å; M277-I339 HydrophobicContact CE-CG1 3.94Å; M277-I339 HydrophobicContact CE-CG2 4.14Å; M332-I339 HydrophobicContact CE-CD1 3.56Å; M332-I339 HydrophobicContact SD-CD1 4.25Å; P337-I339 HydrophobicContact CB-CG1 4.22Å; P337-I339 HydrophobicContact CG-CD1 4.22Å; P337-I339 HydrophobicContact CG-CG1 4.08Å; I339-K341 PolarHBondContact O-N 2.94Å; I339-R344 HydrophobicContact CB-CB 4.26Å; I339-R344 HydrophobicContact CB-CG 4.45Å; I339-R344 HydrophobicContact CG2-CB 3.84Å; I339-R344 HydrophobicContact CG2-CG 4.42Å; I339-K352 HydrophobicContact CD1-CB 3.99Å; I339-C355 HydrophobicContact CG2-CB 3.68Å; I339-Y356 HydrophobicContact CD1-CE2 4.19Å; I339-Y356 HydrophobicContact CG1-CE2 4.36Å
340	P	98.4	Very high	96.8	Very high	15 Å²	15	68.4 Å²	68.4	10%	0.097	32%	0.321	C	S	.	.			trans	-48.9	128.9	172.4	-31.6	39.1	0	0	0	113	M277 P342 C343 R344 M361	M277-P340 VanDerWaalsContact O-CG 3.29Å; M277-P340 WeakPolarHBondContact O-CG 3.42Å; M277-P340 VanDerWaalsContact SD-CD 3.58Å; M277-P340 HydrophobicContact SD-CG 4.18Å; P340-P342 VanDerWaalsContact C-CD 3.48Å; P340-C343 PolarHBondContact O-N 3.01Å; P340-R344 WeakPolarHBondContact O-CB 3.47Å; P340-R344 PolarHBondContact O-N 3.18Å; P340-M361 HydrophobicContact CB-CE 3.64Å; P340-M361 HydrophobicContact CB-SD 4.05Å; P340-M361 HydrophobicContact CG-CE 3.56Å; P340-M361 HydrophobicContact CG-SD 3.8Å
341	K	97.9	Very high	96.8	Very high	151 Å²	151	68.1 Å²	68.1	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-55.2	-42.4	-175.6	-70.2	-175.8	-179.5	-178.3	0	113.7	I339 K345	I339-K341 PolarHBondContact O-N 2.94Å; K341-K345 WeakPolarHBondContact O-CB 3.32Å; K341-K345 WeakPolarHBondContact O-CG 3.36Å; K341-K345 PolarHBondContact O-N 3.37Å; K341-K345 VanDerWaalsContact O-N 3.15Å
342	P	98	Very high	96.8	Very high	51 Å²	51	70.7 Å²	70.7	33%	0.331	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-49.7	-180	-22.4	34.6	0	0	0	112.5	P340 K345 A346 H364	P340-P342 VanDerWaalsContact C-CD 3.48Å; P342-K345 PolarHBondContact O-N 3Å; P342-A346 PolarHBondContact O-N 2.81Å; P342-H364 HydrophobicContact CB-CB 4.12Å
343	C	98.5	Very high	96.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-45.6	177.2	-173.6	0	0	0	0	112.2	P340 K345 A346 H347 C355 M361 H364	P340-C343 PolarHBondContact O-N 3.01Å; C343-K345 PolarHBondContact O-N 3.39Å; C343-A346 WeakPolarHBondContact O-CB 3.43Å; C343-A346 PolarHBondContact O-N 3.2Å; C343-H347 PolarHBondContact O-CD2 3.4Å; C343-H347 PolarHBondContact O-N 3.25Å; C343-C355 HydrophobicContact CB-CB 4.05Å; C343-C355 WeakPolarHBondContact CB-SG 3.39Å; C343-C355 WeakPolarHBondContact SG-CA 3.37Å; C343-C355 WeakPolarHBondContact SG-CB 3.46Å; C343-C355 CovalentContact SG-SG 2.04Å; C343-C355 PolarHBondContact SG-SG 2.94Å; C343-M361 HydrophobicContact CB-SD 3.62Å; C343-H364 VanDerWaalsContact CA-CD2 3.41Å; C343-H364 WeakPolarHBondContact CA-CD2 3.4Å; C343-H364 HydrophobicContact CB-CB 4.12Å; C343-H364 VanDerWaalsContact CB-CD2 3.47Å; C343-H364 WeakPolarHBondContact CB-CD2 3.3Å
344	R	97.6	Very high	97	Very high	109 Å²	109	63.7 Å²	63.7	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-57.7	-28	178.3	-169.2	-176.8	65.3	141.3	3.6	113.5	I339 P340 K352	I339-R344 HydrophobicContact CB-CB 4.26Å; I339-R344 HydrophobicContact CB-CG 4.45Å; I339-R344 HydrophobicContact CG2-CB 3.84Å; I339-R344 HydrophobicContact CG2-CG 4.42Å; P340-R344 WeakPolarHBondContact O-CB 3.47Å; P340-R344 PolarHBondContact O-N 3.18Å; R344-K352 HydrophobicContact CG-CD 4.06Å; R344-K352 HydrophobicContact CG-CG 4.37Å
345	K	97.9	Very high	97.2	Very high	169 Å²	169	62 Å²	62	74%	0.735	30%	0.296	S	S	*	.	H	α-helix	trans	-84.8	-20.5	177	-76.5	-175.8	175	-164.9	0	113	K341 P342 C343 H347	K341-K345 WeakPolarHBondContact O-CB 3.32Å; K341-K345 WeakPolarHBondContact O-CG 3.36Å; K341-K345 PolarHBondContact O-N 3.37Å; K341-K345 VanDerWaalsContact O-N 3.15Å; P342-K345 PolarHBondContact O-N 3Å; C343-K345 PolarHBondContact O-N 3.39Å; K345-H347 VanDerWaalsContact C-N 3.32Å
346	A	98	Very high	97.2	Very high	56 Å²	56	62 Å²	62	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-79.2	-17.5	179.5	0	0	0	0	0	112.8	P342 C343 H364	P342-A346 PolarHBondContact O-N 2.81Å; C343-A346 WeakPolarHBondContact O-CB 3.43Å; C343-A346 PolarHBondContact O-N 3.2Å; A346-H364 WeakPolarHBondContact CB-NE2 2.93Å
347	H	97.2	Very high	97.3	Very high	30 Å²	30	59.3 Å²	59.3	14%	0.139	28%	0.281	C	S	.	.	S	Bend	trans	-121.4	143.2	-177.3	-62.2	-72.5	0	0	0	112.3	C343 K345 E351 F360	C343-H347 PolarHBondContact O-CD2 3.4Å; C343-H347 PolarHBondContact O-N 3.25Å; K345-H347 VanDerWaalsContact C-N 3.32Å; H347-E351 HydrophobicContact CB-CB 4.34Å; H347-F360 AromaticContact CE1-CD1 3.63Å; H347-F360 AromaticContact NE2-CD1 3.95Å
348	P	96.4	Very high	97.3	Very high	76 Å²	76	58.6 Å²	58.6	49%	0.494	28%	0.277	S	S	.	.			trans	-63.6	167.3	172.9	29.3	-35.8	0	0	0	111.5	E350 E351 K352	P348-E350 VanDerWaalsContact C-N 3.3Å; P348-E350 PolarHBondContact O-N 3.17Å; P348-E351 HydrophobicContact CG-CB 3.91Å; P348-E351 HydrophobicContact CG-CG 3.78Å; P348-E351 PolarHBondContact O-N 3.29Å; P348-E351 VanDerWaalsContact O-N 3.1Å; P348-K352 PolarHBondContact O-N 3.06Å
349	K	92.8	Very high	97.2	Very high	155 Å²	155	53.9 Å²	53.9	67%	0.674	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-53	-45.4	-172.7	-174.7	-175.4	173.8	-167.5	0	113	E351	K349-E351 VanDerWaalsContact C-N 3.33Å
350	E	94	Very high	97.2	Very high	103 Å²	103	55 Å²	55	48%	0.481	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75	-20.3	-176.4	-58.1	-46.9	130.7	0	0	113.7	H329 P348 W353	H329-E350 PolarHBondContact CD2-O 2.98Å; H329-E350 VanDerWaalsContact CD2-O 3.29Å; H329-E350 IonicContact CE1-OE2 3.98Å; H329-E350 IonicContact NE2-OE2 3.61Å; H329-E350 PolarHBondContact NE2-OE2 3.22Å; P348-E350 VanDerWaalsContact C-N 3.3Å; P348-E350 PolarHBondContact O-N 3.17Å; E350-W353 PolarHBondContact O-NE1 3.23Å
351	E	96.1	Very high	97.2	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-103	12.2	-178.7	-60.5	-170.5	155.8	0	0	113.5	H347 P348 K349 W353 K354	H347-E351 HydrophobicContact CB-CB 4.34Å; P348-E351 HydrophobicContact CG-CB 3.91Å; P348-E351 HydrophobicContact CG-CG 3.78Å; P348-E351 PolarHBondContact O-N 3.29Å; P348-E351 VanDerWaalsContact O-N 3.1Å; K349-E351 VanDerWaalsContact C-N 3.33Å; E351-W353 PolarHBondContact O-N 3.3Å; E351-W353 VanDerWaalsContact O-N 3.11Å; E351-K354 HydrophobicContact CB-CD 4.04Å; E351-K354 HydrophobicContact CB-CG 4.38Å; E351-K354 VanDerWaalsContact O-CB 3.27Å; E351-K354 WeakPolarHBondContact O-CB 3.41Å; E351-K354 WeakPolarHBondContact O-CG 3.23Å; E351-K354 PolarHBondContact O-N 3.27Å; E351-K354 IonicContact OE1-NZ 2.63Å; E351-K354 PolarHBondContact OE1-NZ 2.85Å; E351-K354 WeakPolarHBondContact OE2-CE 3.33Å; E351-K354 IonicContact OE2-NZ 4Å; E351-K354 PolarHBondContact OE2-NZ 3.34Å
352	K	97.1	Very high	97.2	Very high	53 Å²	53	47.5 Å²	47.5	23%	0.23	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19.1	179.4	-75.3	172	-177.8	156.2	0	113.1	M332 I339 R344 P348 K354 C355	M332-K352 HydrophobicContact CE-CB 3.57Å; M332-K352 HydrophobicContact SD-CB 4.41Å; I339-K352 HydrophobicContact CD1-CB 3.99Å; R344-K352 HydrophobicContact CG-CD 4.06Å; R344-K352 HydrophobicContact CG-CG 4.37Å; P348-K352 PolarHBondContact O-N 3.06Å; K352-K354 PolarHBondContact O-N 3.26Å; K352-C355 WeakPolarHBondContact O-CB 3.44Å; K352-C355 PolarHBondContact O-N 2.85Å; K352-C355 VanDerWaalsContact O-N 3.17Å
353	W	96.9	Very high	97.1	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.023	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.2	-27.1	171.8	61.9	-103.7	0	0	0	112	H307 E325 I328 H329 M332 E350 E351 C355 Y356 L357	H307-W353 AromaticContact CE1-CH2 3.66Å; H307-W353 AromaticContact ND1-CH2 3.54Å; H307-W353 AromaticContact ND1-CZ3 3.89Å; E325-W353 HydrophobicContact CB-CD2 4.19Å; E325-W353 HydrophobicContact CB-CE3 4.16Å; E325-W353 HydrophobicContact CB-CH2 3.83Å; E325-W353 HydrophobicContact CB-CZ2 3.82Å; E325-W353 HydrophobicContact CB-CZ3 3.98Å; E325-W353 HydrophobicContact CG-CD2 4.18Å; E325-W353 HydrophobicContact CG-CH2 4.07Å; E325-W353 HydrophobicContact CG-CZ2 3.53Å; E325-W353 WeakPolarHBondContact OE1-CZ2 3.33Å; I328-W353 HydrophobicContact CB-CB 4.17Å; I328-W353 HydrophobicContact CG2-CB 3.8Å; H329-W353 HydrophobicContact CB-CB 4.42Å; H329-W353 HydrophobicContact CB-CG 4.47Å; H329-W353 AromaticContact CD2-CD1 3.94Å; M332-W353 VanDerWaalsContact SD-CA 3.53Å; M332-W353 HydrophobicContact SD-CB 3.91Å; M332-W353 PolarHBondContact SD-N 3.47Å; E350-W353 PolarHBondContact O-NE1 3.23Å; E351-W353 PolarHBondContact O-N 3.3Å; E351-W353 VanDerWaalsContact O-N 3.11Å; W353-C355 PolarHBondContact O-N 2.9Å; W353-C355 VanDerWaalsContact O-N 3.09Å; W353-Y356 WeakPolarHBondContact O-CB 3.41Å; W353-Y356 PolarHBondContact O-N 3.01Å; W353-L357 HydrophobicContact CE3-CD1 4.28Å; W353-L357 HydrophobicContact CZ3-CD1 3.7Å
354	K	97.8	Very high	97.1	Very high	30 Å²	30	50.8 Å²	50.8	13%	0.13	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31	175.5	-68.9	-178.1	-179.5	172.7	0	112	E351 K352 Y356 L357 F360	E351-K354 HydrophobicContact CB-CD 4.04Å; E351-K354 HydrophobicContact CB-CG 4.38Å; E351-K354 VanDerWaalsContact O-CB 3.27Å; E351-K354 WeakPolarHBondContact O-CB 3.41Å; E351-K354 WeakPolarHBondContact O-CG 3.23Å; E351-K354 PolarHBondContact O-N 3.27Å; E351-K354 IonicContact OE1-NZ 2.63Å; E351-K354 PolarHBondContact OE1-NZ 2.85Å; E351-K354 WeakPolarHBondContact OE2-CE 3.33Å; E351-K354 IonicContact OE2-NZ 4Å; E351-K354 PolarHBondContact OE2-NZ 3.34Å; K352-K354 PolarHBondContact O-N 3.26Å; K354-Y356 PolarHBondContact O-N 2.8Å; K354-Y356 VanDerWaalsContact O-N 3.09Å; K354-L357 WeakPolarHBondContact O-CB 3.06Å; K354-L357 PolarHBondContact O-N 2.9Å; K354-F360 HydrophobicContact CB-CB 4.28Å; K354-F360 HydrophobicContact CB-CD1 4.12Å; K354-F360 HydrophobicContact CB-CD2 4.12Å; K354-F360 HydrophobicContact CB-CE1 4.48Å; K354-F360 HydrophobicContact CB-CE2 4.46Å; K354-F360 HydrophobicContact CB-CG 3.91Å; K354-F360 HydrophobicContact CD-CD1 4.24Å; K354-F360 HydrophobicContact CD-CE1 3.88Å; K354-F360 HydrophobicContact CD-CZ 4.09Å; K354-F360 HydrophobicContact CG-CE1 4.45Å; K354-F360 HydrophobicContact CG-CE2 4.46Å; K354-F360 HydrophobicContact CG-CZ 4.37Å; K354-F360 VanDerWaalsContact O-CB 3.29Å; K354-F360 WeakPolarHBondContact O-CB 3.14Å
355	C	98.3	Very high	97.1	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-64.5	-11.4	177.1	-67.1	0	0	0	0	115.2	M277 I339 C343 K352 W353 M361	M277-C355 VanDerWaalsContact SD-O 3.38Å; I339-C355 HydrophobicContact CG2-CB 3.68Å; C343-C355 HydrophobicContact CB-CB 4.05Å; C343-C355 WeakPolarHBondContact CB-SG 3.39Å; C343-C355 WeakPolarHBondContact SG-CA 3.37Å; C343-C355 WeakPolarHBondContact SG-CB 3.46Å; C343-C355 CovalentContact SG-SG 2.04Å; C343-C355 PolarHBondContact SG-SG 2.94Å; K352-C355 WeakPolarHBondContact O-CB 3.44Å; K352-C355 PolarHBondContact O-N 2.85Å; K352-C355 VanDerWaalsContact O-N 3.17Å; W353-C355 PolarHBondContact O-N 2.9Å; W353-C355 VanDerWaalsContact O-N 3.09Å; C355-M361 WeakPolarHBondContact O-CB 3.19Å
356	Y	98.3	Very high	97	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-87.8	-13.6	173.1	-71.6	-101	0	0	0	112.8	L225 T227 I273 M277 I328 M332 W335 P337 I339 W353 K354	L225-Y356 HydrophobicContact CB-CD1 4.08Å; L225-Y356 HydrophobicContact CB-CE1 3.89Å; L225-Y356 HydrophobicContact CD1-CD1 3.52Å; L225-Y356 HydrophobicContact CD1-CE1 3.88Å; L225-Y356 HydrophobicContact CD1-CG 4.47Å; L225-Y356 HydrophobicContact CG-CD1 4.46Å; T227-Y356 WeakPolarHBondContact CB-OH 3.44Å; T227-Y356 HydrophobicContact CG2-CD1 4.46Å; T227-Y356 HydrophobicContact CG2-CE1 3.47Å; T227-Y356 VanDerWaalsContact CG2-CE1 3.47Å; T227-Y356 PolarHBondContact OG1-OH 2.79Å; I273-Y356 HydrophobicContact CG2-CD1 3.96Å; M277-Y356 HydrophobicContact CE-CD1 4.26Å; M277-Y356 HydrophobicContact CE-CD2 4.18Å; M277-Y356 HydrophobicContact CE-CE1 3.96Å; M277-Y356 HydrophobicContact CE-CE2 3.86Å; M277-Y356 HydrophobicContact CE-CG 4.38Å; I328-Y356 HydrophobicContact CD1-CG 4.31Å; I328-Y356 HydrophobicContact CG2-CD1 4.19Å; I328-Y356 HydrophobicContact CG2-CD2 3.41Å; I328-Y356 VanDerWaalsContact CG2-CD2 3.41Å; I328-Y356 HydrophobicContact CG2-CE2 3.8Å; I328-Y356 HydrophobicContact CG2-CG 3.62Å; M332-Y356 HydrophobicContact CG-CE2 3.84Å; M332-Y356 HydrophobicContact SD-CD2 4.35Å; M332-Y356 HydrophobicContact SD-CE2 3.8Å; W335-Y356 HydrophobicContact CZ3-CE1 4.17Å; P337-Y356 WeakPolarHBondContact CB-OH 3.21Å; P337-Y356 WeakPolarHBondContact CG-OH 3.25Å; I339-Y356 HydrophobicContact CD1-CE2 4.19Å; I339-Y356 HydrophobicContact CG1-CE2 4.36Å; W353-Y356 WeakPolarHBondContact O-CB 3.41Å; W353-Y356 PolarHBondContact O-N 3.01Å; K354-Y356 PolarHBondContact O-N 2.8Å; K354-Y356 VanDerWaalsContact O-N 3.09Å
357	L	97.9	Very high	96.9	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-91.9	127.7	175.6	-59.9	-174.7	0	0	0	109.5	F305 H307 P324 W353 K354 F360 M361	F305-L357 HydrophobicContact CB-CD2 3.8Å; H307-L357 HydrophobicContact CB-CD1 3.64Å; P324-L357 HydrophobicContact CB-CD2 4.04Å; W353-L357 HydrophobicContact CE3-CD1 4.28Å; W353-L357 HydrophobicContact CZ3-CD1 3.7Å; K354-L357 WeakPolarHBondContact O-CB 3.06Å; K354-L357 PolarHBondContact O-N 2.9Å; L357-F360 HydrophobicContact CB-CD2 3.82Å; L357-F360 HydrophobicContact CB-CE2 4.38Å; L357-F360 HydrophobicContact CD1-CD2 4.39Å; L357-F360 HydrophobicContact CD1-CE2 4.18Å; L357-F360 PolarHBondContact O-N 2.83Å; L357-F360 VanDerWaalsContact O-N 3.08Å; L357-M361 PolarHBondContact O-N 2.88Å; L357-M361 VanDerWaalsContact O-N 3.16Å
358	A	97.9	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-39.8	-169.3	0	0	0	0	0	114.4	L276 W304 F360 M361 Y362	L276-A358 HydrophobicContact CD1-CB 3.68Å; W304-A358 HydrophobicContact CB-CB 4.19Å; W304-A358 HydrophobicContact CD2-CB 3.63Å; W304-A358 HydrophobicContact CE3-CB 3.37Å; W304-A358 HydrophobicContact CG-CB 4.01Å; W304-A358 HydrophobicContact CZ3-CB 3.94Å; A358-F360 PolarHBondContact O-N 2.77Å; A358-F360 VanDerWaalsContact O-N 3.13Å; A358-M361 PolarHBondContact O-N 3.12Å; A358-M361 VanDerWaalsContact O-N 3.16Å; A358-Y362 WeakPolarHBondContact O-CB 3.33Å; A358-Y362 PolarHBondContact O-N 3.11Å
359	P	97	Very high	97	Very high	38 Å²	38	40.3 Å²	40.3	25%	0.247	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-30	177.3	-26.6	34.9	0	0	0	114.2	W304 F305 I306 P363	W304-P359 HydrophobicContact CZ2-CB 4.46Å; W304-P359 HydrophobicContact CZ2-CG 4.16Å; F305-P359 WeakPolarHBondContact O-CD 3.26Å; I306-P359 HydrophobicContact CG2-CG 3.98Å; P359-P363 VanDerWaalsContact O-CD 3.26Å; P359-P363 WeakPolarHBondContact O-CD 3.46Å
360	F	97.5	Very high	97.3	Very high	38 Å²	38	33 Å²	33	17%	0.167	16%	0.155	C	C	.	.	H	α-helix	trans	-86.6	-35.7	177.9	-62.8	-84.9	0	0	0	112.2	H307 H347 K354 L357 A358 H364 M560	H307-F360 HydrophobicContact CB-CE2 4.14Å; H347-F360 AromaticContact CE1-CD1 3.63Å; H347-F360 AromaticContact NE2-CD1 3.95Å; K354-F360 HydrophobicContact CB-CB 4.28Å; K354-F360 HydrophobicContact CB-CD1 4.12Å; K354-F360 HydrophobicContact CB-CD2 4.12Å; K354-F360 HydrophobicContact CB-CE1 4.48Å; K354-F360 HydrophobicContact CB-CE2 4.46Å; K354-F360 HydrophobicContact CB-CG 3.91Å; K354-F360 HydrophobicContact CD-CD1 4.24Å; K354-F360 HydrophobicContact CD-CE1 3.88Å; K354-F360 HydrophobicContact CD-CZ 4.09Å; K354-F360 HydrophobicContact CG-CE1 4.45Å; K354-F360 HydrophobicContact CG-CE2 4.46Å; K354-F360 HydrophobicContact CG-CZ 4.37Å; K354-F360 VanDerWaalsContact O-CB 3.29Å; K354-F360 WeakPolarHBondContact O-CB 3.14Å; L357-F360 HydrophobicContact CB-CD2 3.82Å; L357-F360 HydrophobicContact CB-CE2 4.38Å; L357-F360 HydrophobicContact CD1-CD2 4.39Å; L357-F360 HydrophobicContact CD1-CE2 4.18Å; L357-F360 PolarHBondContact O-N 2.83Å; L357-F360 VanDerWaalsContact O-N 3.08Å; A358-F360 PolarHBondContact O-N 2.77Å; A358-F360 VanDerWaalsContact O-N 3.13Å; F360-H364 PolarHBondContact O-CD2 3.13Å; F360-M560 HydrophobicContact CE1-SD 4.01Å
361	M	98	Very high	97.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-80.3	-37.8	-178.8	-173.8	54.9	-136.8	0	0	113.3	L276 M277 P340 C343 C355 L357 A358 P363 H364 L365	L276-M361 HydrophobicContact CB-CG 4.06Å; M277-M361 HydrophobicContact SD-SD 4.37Å; P340-M361 HydrophobicContact CB-CE 3.64Å; P340-M361 HydrophobicContact CB-SD 4.05Å; P340-M361 HydrophobicContact CG-CE 3.56Å; P340-M361 HydrophobicContact CG-SD 3.8Å; C343-M361 HydrophobicContact CB-SD 3.62Å; C355-M361 WeakPolarHBondContact O-CB 3.19Å; L357-M361 PolarHBondContact O-N 2.88Å; L357-M361 VanDerWaalsContact O-N 3.16Å; A358-M361 PolarHBondContact O-N 3.12Å; A358-M361 VanDerWaalsContact O-N 3.16Å; M361-P363 VanDerWaalsContact C-CD 3.49Å; M361-H364 HydrophobicContact CE-CB 4.13Å; M361-H364 WeakPolarHBondContact O-CB 3.31Å; M361-H364 PolarHBondContact O-N 3.24Å; M361-L365 HydrophobicContact CE-CD2 3.44Å; M361-L365 VanDerWaalsContact CE-CD2 3.44Å; M361-L365 HydrophobicContact CE-CG 4.1Å
362	Y	98	Very high	97.7	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.027	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-57	-40.4	-172.4	-169.3	-96.4	0	0	0	114.1	W304 A358 H364 L365 V369 I371 A414 G415 H576 N578	W304-Y362 HydrophobicContact CH2-CD1 4.07Å; W304-Y362 HydrophobicContact CH2-CD2 4.24Å; W304-Y362 AromaticContact CH2-CG 3.82Å; W304-Y362 HydrophobicContact CH2-CG 3.82Å; W304-Y362 HydrophobicContact CZ3-CD1 4.27Å; W304-Y362 AromaticContact CZ3-CD2 3.62Å; W304-Y362 HydrophobicContact CZ3-CD2 3.62Å; W304-Y362 HydrophobicContact CZ3-CE2 4.16Å; W304-Y362 AromaticContact CZ3-CG 3.65Å; W304-Y362 HydrophobicContact CZ3-CG 3.65Å; A358-Y362 WeakPolarHBondContact O-CB 3.33Å; A358-Y362 PolarHBondContact O-N 3.11Å; Y362-H364 PolarHBondContact O-N 2.64Å; Y362-H364 VanDerWaalsContact O-N 3.15Å; Y362-L365 HydrophobicContact CD2-CD1 4Å; Y362-L365 PolarHBondContact O-N 2.74Å; Y362-V369 HydrophobicContact CE2-CB 3.95Å; Y362-V369 HydrophobicContact CE2-CG1 4.28Å; Y362-V369 WeakPolarHBondContact CE2-O 3.29Å; Y362-V369 PolarHBondContact OH-O 2.75Å; Y362-I371 HydrophobicContact CD2-CD1 4.3Å; Y362-I371 HydrophobicContact CE2-CD1 3.71Å; Y362-I371 HydrophobicContact CE2-CG1 4.08Å; Y362-A414 HydrophobicContact CE1-CB 3.79Å; Y362-G415 PolarHBondContact OH-N 3.14Å; Y362-H576 PolarHBondContact O-CE1 2.9Å; Y362-H576 PolarHBondContact O-NE2 3.05Å; Y362-N578 HydrophobicContact CE1-CB 3.64Å; Y362-N578 WeakPolarHBondContact CE1-ND2 3.4Å; Y362-N578 WeakPolarHBondContact CE2-ND2 3.44Å; Y362-N578 WeakPolarHBondContact OH-CB 2.98Å; Y362-N578 VanDerWaalsContact OH-CG 3.24Å; Y362-N578 PolarHBondContact OH-ND2 2.88Å
363	P	96.6	Very high	97.7	Very high	70 Å²	70	22.2 Å²	22.2	46%	0.455	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-68	-6.5	175.5	-20.7	34.5	0	0	0	115.2	P359 M361 H576	P359-P363 VanDerWaalsContact O-CD 3.26Å; P359-P363 WeakPolarHBondContact O-CD 3.46Å; M361-P363 VanDerWaalsContact C-CD 3.49Å; P363-H576 VanDerWaalsContact C-CD2 3.47Å; P363-H576 PolarHBondContact O-CD2 3.42Å; P363-H576 PolarHBondContact O-NE2 3.34Å
364	H	97.2	Very high	97.8	Very high	51 Å²	51	22 Å²	22	24%	0.236	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-105.4	-1.2	-178.4	-67.1	-48.4	0	0	0	113.6	P342 C343 A346 F360 M361 Y362	P342-H364 HydrophobicContact CB-CB 4.12Å; C343-H364 VanDerWaalsContact CA-CD2 3.41Å; C343-H364 WeakPolarHBondContact CA-CD2 3.4Å; C343-H364 HydrophobicContact CB-CB 4.12Å; C343-H364 VanDerWaalsContact CB-CD2 3.47Å; C343-H364 WeakPolarHBondContact CB-CD2 3.3Å; A346-H364 WeakPolarHBondContact CB-NE2 2.93Å; F360-H364 PolarHBondContact O-CD2 3.13Å; M361-H364 HydrophobicContact CE-CB 4.13Å; M361-H364 WeakPolarHBondContact O-CB 3.31Å; M361-H364 PolarHBondContact O-N 3.24Å; Y362-H364 PolarHBondContact O-N 2.64Å; Y362-H364 VanDerWaalsContact O-N 3.15Å
365	L	97.8	Very high	97.7	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	10%	0.099	C	C	.	.			trans	-78.7	142.4	179.5	-64.1	174.9	0	0	0	111.7	L276 I279 M361 Y362 V369 H576	L276-L365 HydrophobicContact CD2-CD1 3.69Å; L276-L365 WeakPolarHBondContact O-CD2 3.11Å; I279-L365 HydrophobicContact CG2-CD2 3.94Å; M361-L365 HydrophobicContact CE-CD2 3.44Å; M361-L365 VanDerWaalsContact CE-CD2 3.44Å; M361-L365 HydrophobicContact CE-CG 4.1Å; Y362-L365 HydrophobicContact CD2-CD1 4Å; Y362-L365 PolarHBondContact O-N 2.74Å; L365-V369 HydrophobicContact CD1-CB 4.27Å; L365-V369 HydrophobicContact CD1-CG2 3.78Å; L365-H576 PolarHBondContact O-NE2 3.05Å
366	R	95.8	Very high	97.5	Very high	190 Å²	190	20.5 Å²	20.5	72%	0.717	10%	0.098	S	C	*	.	S	Bend	trans	-98	-26	169.8	-62.6	176.7	179.7	170.7	-2.6	112	D280 I577	D280-R366 PolarHBondContact OD1-N 2.8Å; D280-R366 VanDerWaalsContact OD1-N 3.15Å; D280-R366 PolarHBondContact OD2-N 3.23Å; R366-I577 WeakPolarHBondContact O-CG2 3.28Å
367	T	97.1	Very high	97.5	Very high	16 Å²	16	20.6 Å²	20.6	10%	0.098	10%	0.099	C	C	.	.	S	Bend	trans	-89.3	135.9	178.4	-48.5	0	0	0	0	110	I279 D280 V296	I279-T367 HydrophobicContact CD1-CG2 3.46Å; I279-T367 VanDerWaalsContact CD1-CG2 3.46Å; I279-T367 HydrophobicContact CG1-CG2 3.72Å; D280-T367 WeakPolarHBondContact OD1-CB 3.38Å; D280-T367 PolarHBondContact OD1-N 3.24Å; D280-T367 PolarHBondContact OD1-OG1 2.78Å; V296-T367 HydrophobicContact CB-CG2 4.05Å; V296-T367 HydrophobicContact CG1-CG2 3.83Å; V296-T367 WeakPolarHBondContact O-CG2 3.19Å
368	P	97.3	Very high	97.4	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.045	12%	0.117	C	C	.	.			trans	-69.9	137.5	-179.7	26.2	-31.6	0	0	0	111.9	S297 G298 W450 L454 I577 N578 F581	S297-P368 CarbonylContact C-O 3.48Å; S297-P368 WeakPolarHBondContact CA-O 3.46Å; G298-P368 PolarHBondContact N-O 2.86Å; P368-W450 HydrophobicContact CB-CH2 4.43Å; P368-W450 HydrophobicContact CB-CZ2 3.99Å; P368-L454 HydrophobicContact CB-CD1 4.1Å; P368-L454 HydrophobicContact CG-CD1 3.43Å; P368-L454 VanDerWaalsContact CG-CD1 3.43Å; P368-L454 HydrophobicContact CG-CD2 4.32Å; P368-I577 HydrophobicContact CB-CG2 4.49Å; P368-N578 VanDerWaalsContact CA-OD1 3.24Å; P368-N578 WeakPolarHBondContact CA-OD1 3.25Å; P368-F581 HydrophobicContact CB-CE2 3.9Å; P368-F581 HydrophobicContact CB-CZ 4.43Å
369	V	98.5	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.8	-176.8	176	0	0	0	0	110.7	L276 I279 G298 I300 Y362 L365 N578	L276-V369 HydrophobicContact CD2-CG1 4.4Å; I279-V369 HydrophobicContact CD1-CG2 4.07Å; G298-V369 CarbonylContact O-C 3.48Å; G298-V369 WeakPolarHBondContact O-CA 3.24Å; I300-V369 HydrophobicContact CB-CG1 4.45Å; I300-V369 HydrophobicContact CD1-CG1 4.48Å; I300-V369 HydrophobicContact CG1-CG1 3.95Å; I300-V369 HydrophobicContact CG2-CG1 3.89Å; Y362-V369 HydrophobicContact CE2-CB 3.95Å; Y362-V369 HydrophobicContact CE2-CG1 4.28Å; Y362-V369 WeakPolarHBondContact CE2-O 3.29Å; Y362-V369 PolarHBondContact OH-O 2.75Å; L365-V369 HydrophobicContact CD1-CB 4.27Å; L365-V369 HydrophobicContact CD1-CG2 3.78Å; V369-N578 PolarHBondContact N-OD1 2.94Å
370	Y	98.5	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.4	170.2	-165	-94.3	0	0	0	110.9	G298 I299 I300 V372 V417 F418 A446 I447 W450 Y590	G298-Y370 PolarHBondContact O-N 2.85Å; I299-Y370 WeakPolarHBondContact CA-O 2.82Å; I300-Y370 PolarHBondContact N-O 2.68Å; Y370-V372 HydrophobicContact CD1-CG2 4.1Å; Y370-V372 HydrophobicContact CE1-CG2 4.07Å; Y370-V417 PolarHBondContact OH-O 3.24Å; Y370-F418 HydrophobicContact CE1-CB 4.08Å; Y370-A446 VanDerWaalsContact OH-CB 3.29Å; Y370-A446 WeakPolarHBondContact OH-CB 3.24Å; Y370-I447 HydrophobicContact CD1-CG1 3.79Å; Y370-I447 HydrophobicContact CE1-CD1 4.46Å; Y370-I447 HydrophobicContact CE1-CG1 3.49Å; Y370-I447 VanDerWaalsContact CE1-CG1 3.49Å; Y370-W450 HydrophobicContact CD2-CB 3.69Å; Y370-W450 AromaticContact CD2-CD1 3.78Å; Y370-W450 AromaticContact CD2-CD2 3.55Å; Y370-W450 HydrophobicContact CD2-CD2 3.55Å; Y370-W450 AromaticContact CD2-CE2 3.99Å; Y370-W450 HydrophobicContact CD2-CE3 4.04Å; Y370-W450 AromaticContact CD2-CG 3.39Å; Y370-W450 HydrophobicContact CD2-CG 3.39Å; Y370-W450 HydrophobicContact CE2-CB 3.73Å; Y370-W450 HydrophobicContact CE2-CD2 4.47Å; Y370-W450 AromaticContact CE2-CG 3.9Å; Y370-W450 HydrophobicContact CE2-CG 3.9Å; Y370-W450 HydrophobicContact CG-CD2 4.16Å; Y370-W450 HydrophobicContact CG-CE3 4.24Å; Y370-W450 HydrophobicContact CG-CG 4.41Å; Y370-Y590 VanDerWaalsContact CE2-O 3.23Å; Y370-Y590 WeakPolarHBondContact CE2-O 3.38Å; Y370-Y590 PolarHBondContact OH-O 3.1Å; Y370-Y590 VanDerWaalsContact OH-O 3.13Å
371	I	98.7	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.3	-174.6	-56.2	148.6	0	0	0	110	I300 W304 Y362 Q373 L411 A414 G416 V417 F418	I300-I371 HydrophobicContact CD1-CG1 4.12Å; I300-I371 HydrophobicContact CD1-CG2 4.44Å; I300-I371 HydrophobicContact CG1-CB 4.35Å; I300-I371 HydrophobicContact CG1-CG1 4.02Å; I300-I371 HydrophobicContact CG1-CG2 4.33Å; W304-I371 HydrophobicContact CB-CG2 4.19Å; W304-I371 HydrophobicContact CD2-CD1 4.43Å; W304-I371 HydrophobicContact CD2-CG2 4.39Å; W304-I371 HydrophobicContact CE3-CD1 3.52Å; W304-I371 HydrophobicContact CE3-CG1 3.85Å; W304-I371 HydrophobicContact CE3-CG2 4.04Å; W304-I371 HydrophobicContact CG-CG2 4.49Å; W304-I371 HydrophobicContact CH2-CD1 3.92Å; W304-I371 HydrophobicContact CZ3-CD1 3.23Å; W304-I371 HydrophobicContact CZ3-CG1 3.94Å; Y362-I371 HydrophobicContact CD2-CD1 4.3Å; Y362-I371 HydrophobicContact CE2-CD1 3.71Å; Y362-I371 HydrophobicContact CE2-CG1 4.08Å; I371-Q373 HydrophobicContact CG2-CB 3.97Å; I371-L411 HydrophobicContact CB-CD2 4.46Å; I371-L411 HydrophobicContact CD1-CD2 4.19Å; I371-L411 HydrophobicContact CG2-CD2 3.73Å; I371-A414 HydrophobicContact CD1-CB 3.36Å; I371-G416 PolarHBondContact N-O 2.82Å; I371-G416 VanDerWaalsContact N-O 3.08Å; I371-V417 HydrophobicContact CB-CG2 4.46Å; I371-V417 HydrophobicContact CD1-CG2 4.08Å; I371-V417 CarbonylContact O-C 3.53Å; I371-V417 WeakPolarHBondContact O-CA 2.73Å; I371-F418 PolarHBondContact O-N 3.48Å
372	V	98.7	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.5	166.2	-175.6	0	0	0	0	106.6	I299 I300 D301 S302 Y370 F418 I427 L428 L443 I447	I299-V372 HydrophobicContact CG2-CG2 4.35Å; I300-V372 PolarHBondContact O-N 3.07Å; D301-V372 CarbonylContact C-O 3.6Å; D301-V372 VanDerWaalsContact CA-O 3.26Å; D301-V372 WeakPolarHBondContact CA-O 3.03Å; D301-V372 HydrophobicContact CB-CB 4.19Å; S302-V372 PolarHBondContact N-O 3.35Å; Y370-V372 HydrophobicContact CD1-CG2 4.1Å; Y370-V372 HydrophobicContact CE1-CG2 4.07Å; V372-F418 WeakPolarHBondContact CA-O 3.36Å; V372-I427 HydrophobicContact CG1-CB 4.23Å; V372-I427 HydrophobicContact CG1-CD1 4.17Å; V372-I427 HydrophobicContact CG1-CG2 4.47Å; V372-L428 HydrophobicContact CG2-CD1 4.32Å; V372-L428 HydrophobicContact CG2-CD2 4.32Å; V372-L428 HydrophobicContact CG2-CG 4.43Å; V372-L443 HydrophobicContact CG1-CD1 4.09Å; V372-L443 HydrophobicContact CG1-CD2 4.13Å; V372-L443 HydrophobicContact CG2-CD1 3.73Å; V372-I447 HydrophobicContact CG2-CD1 4.3Å
373	Q	98.5	Very high	96.5	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.118	C	C	.	.			trans	-148.6	117.1	-173.3	-177.7	60.2	55	0	0	111.7	S303 W304 I371 L375 D377 V407 L411 F418 A419	S303-Q373 VanDerWaalsContact N-OE1 3.15Å; W304-Q373 HydrophobicContact CB-CB 4.21Å; W304-Q373 HydrophobicContact CB-CG 3.81Å; W304-Q373 VanDerWaalsContact CB-OE1 3.28Å; I371-Q373 HydrophobicContact CG2-CB 3.97Å; Q373-L375 PolarHBondContact O-N 3.37Å; Q373-D377 PolarHBondContact NE2-OD2 3.07Å; Q373-D377 VanDerWaalsContact NE2-OD2 3.14Å; Q373-V407 HydrophobicContact CG-CG1 4.07Å; Q373-L411 HydrophobicContact CB-CD1 4.27Å; Q373-L411 HydrophobicContact CG-CD1 4.36Å; Q373-F418 PolarHBondContact N-O 3.06Å; Q373-A419 WeakPolarHBondContact O-CA 3.41Å; Q373-A419 VanDerWaalsContact O-CB 3.25Å; Q373-A419 WeakPolarHBondContact O-CB 3.42Å
374	S	97.8	Very high	96.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.			trans	-65.1	133.6	169	-144.6	0	0	0	0	110.3	F376 D377 C422	S374-F376 PolarHBondContact O-N 3.41Å; S374-D377 PolarHBondContact O-N 3.4Å; S374-C422 VanDerWaalsContact OG-C 3.25Å; S374-C422 PolarHBondContact OG-O 2.96Å
375	L	95.9	Very high	96	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.7	178.2	-64.3	-178.8	0	0	0	112	Q373 G404 V407 A408 L411 A419 P420 I593 D594 L650	Q373-L375 PolarHBondContact O-N 3.37Å; L375-G404 WeakPolarHBondContact O-CA 3.47Å; L375-V407 HydrophobicContact CD2-CB 4.45Å; L375-V407 HydrophobicContact CD2-CG1 3.95Å; L375-A408 HydrophobicContact CD1-CB 4.45Å; L375-A408 HydrophobicContact CD2-CB 3.87Å; L375-L411 HydrophobicContact CD2-CD1 4.28Å; L375-A419 HydrophobicContact CD2-CB 3.88Å; L375-A419 HydrophobicContact CG-CB 4.38Å; L375-P420 PolarHBondContact N-O 2.69Å; L375-I593 HydrophobicContact CD1-CG2 4.38Å; L375-I593 HydrophobicContact CD2-CG2 4.23Å; L375-D594 HydrophobicContact CD1-CB 4.4Å; L375-D594 WeakPolarHBondContact CD1-O 3.18Å; L375-L650 HydrophobicContact CB-CD2 4.14Å; L375-L650 HydrophobicContact CD1-CD1 4.22Å; L375-L650 HydrophobicContact CD1-CD2 3.74Å
376	F	95.5	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	61.8	173.5	-53.7	-86.6	0	0	0	109.5	S374 E378 I400 S421 C422 L423 L650 P652	S374-F376 PolarHBondContact O-N 3.41Å; F376-E378 PolarHBondContact O-N 3.22Å; F376-I400 HydrophobicContact CD1-CG2 3.67Å; F376-I400 HydrophobicContact CE1-CG2 3.76Å; F376-I400 VanDerWaalsContact CE1-O 3.28Å; F376-I400 WeakPolarHBondContact CE1-O 3.29Å; F376-S421 WeakPolarHBondContact CE2-OG 3.43Å; F376-C422 CarbonylContact C-O 3.54Å; F376-C422 WeakPolarHBondContact CB-O 3.19Å; F376-C422 PolarHBondContact N-O 3.13Å; F376-L423 WeakPolarHBondContact O-CA 3.35Å; F376-L650 HydrophobicContact CE1-CD2 4.41Å; F376-L650 HydrophobicContact CE2-CD2 3.62Å; F376-L650 HydrophobicContact CE2-CG 3.78Å; F376-L650 HydrophobicContact CZ-CB 4.15Å; F376-L650 HydrophobicContact CZ-CD2 3.46Å; F376-L650 VanDerWaalsContact CZ-CD2 3.46Å; F376-L650 HydrophobicContact CZ-CG 3.57Å; F376-P652 HydrophobicContact CD1-CB 4.1Å; F376-P652 HydrophobicContact CD1-CG 3.84Å; F376-P652 HydrophobicContact CD2-CB 4.04Å; F376-P652 HydrophobicContact CD2-CG 4.44Å; F376-P652 HydrophobicContact CE1-CB 4.2Å; F376-P652 HydrophobicContact CE1-CG 3.58Å; F376-P652 HydrophobicContact CE2-CB 4.15Å; F376-P652 HydrophobicContact CE2-CG 4.23Å; F376-P652 HydrophobicContact CG-CB 3.99Å; F376-P652 HydrophobicContact CG-CG 4.24Å; F376-P652 HydrophobicContact CZ-CB 4.2Å; F376-P652 HydrophobicContact CZ-CG 3.77Å
377	D	97.3	Very high	95.6	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128.5	-179.2	-175.7	-78.5	0	0	0	112.3	S302 Q373 S374 A379 Q380 M381 D424 H425	S302-D377 WeakPolarHBondContact CB-OD2 3.18Å; S302-D377 PolarHBondContact OG-OD2 2.78Å; Q373-D377 PolarHBondContact NE2-OD2 3.07Å; Q373-D377 VanDerWaalsContact NE2-OD2 3.14Å; S374-D377 PolarHBondContact O-N 3.4Å; D377-A379 VanDerWaalsContact C-N 3.27Å; D377-A379 PolarHBondContact O-N 3.27Å; D377-A379 WeakPolarHBondContact OD1-CA 3.26Å; D377-A379 WeakPolarHBondContact OD1-CB 3.43Å; D377-A379 PolarHBondContact OD1-N 3.49Å; D377-Q380 HydrophobicContact CB-CB 4.04Å; D377-Q380 PolarHBondContact O-N 2.84Å; D377-Q380 VanDerWaalsContact O-N 3.17Å; D377-Q380 PolarHBondContact OD1-N 2.76Å; D377-M381 WeakPolarHBondContact O-CB 3.1Å; D377-M381 WeakPolarHBondContact O-CG 3.49Å; D377-M381 PolarHBondContact O-N 3.23Å; D377-D424 WeakPolarHBondContact CA-O 3.34Å; D377-H425 VanDerWaalsContact CG-ND1 3.3Å; D377-H425 IonicContact OD1-CE1 2.92Å; D377-H425 IonicContact OD1-ND1 2.78Å; D377-H425 PolarHBondContact OD1-ND1 2.85Å; D377-H425 IonicContact OD2-CE1 2.63Å; D377-H425 IonicContact OD2-CG 2.75Å; D377-H425 IonicContact OD2-ND1 3.89Å; D377-H425 PolarHBondContact OD2-ND1 2.93Å
378	E	95.3	Very high	95.4	Very high	85 Å²	85	12.6 Å²	12.6	40%	0.397	6%	0.064	S	C	.	.	H	α-helix	trans	-61.2	-35.6	-173.6	-67.7	178.6	118.5	0	0	112.6	F376 M381 Q382 L423 D424 H425	F376-E378 PolarHBondContact O-N 3.22Å; E378-M381 PolarHBondContact O-N 3.21Å; E378-Q382 VanDerWaalsContact O-CB 3.27Å; E378-Q382 WeakPolarHBondContact O-CB 3.4Å; E378-Q382 PolarHBondContact O-N 2.79Å; E378-L423 HydrophobicContact CG-CD1 3.72Å; E378-L423 HydrophobicContact CG-CD2 4.34Å; E378-L423 HydrophobicContact CG-CG 3.6Å; E378-D424 PolarHBondContact N-O 2.87Å; E378-H425 HydrophobicContact CB-CB 4.12Å
379	A	95.2	Very high	95.1	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.033	7%	0.069	C	C	.	.	H	α-helix	trans	-73.2	-39.3	177.7	0	0	0	0	0	111.8	W166 F305 D377 M381 Q382 M383 H425	W166-A379 HydrophobicContact CH2-CB 4.05Å; W166-A379 HydrophobicContact CZ2-CB 3.78Å; F305-A379 HydrophobicContact CE1-CB 3.87Å; F305-A379 HydrophobicContact CZ-CB 4.07Å; D377-A379 VanDerWaalsContact C-N 3.27Å; D377-A379 PolarHBondContact O-N 3.27Å; D377-A379 WeakPolarHBondContact OD1-CA 3.26Å; D377-A379 WeakPolarHBondContact OD1-CB 3.43Å; D377-A379 PolarHBondContact OD1-N 3.49Å; A379-M381 VanDerWaalsContact C-N 3.3Å; A379-M381 PolarHBondContact O-N 2.88Å; A379-Q382 PolarHBondContact O-N 2.85Å; A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 3.15Å; A379-H425 VanDerWaalsContact CB-CE1 3.44Å; A379-H425 WeakPolarHBondContact CB-CE1 3.45Å
380	Q	94.9	Very high	94.7	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-39	172.6	178.9	70.4	47.8	0	0	111.3	F305 I306 D377 M383 S384 L403	F305-Q380 HydrophobicContact CD1-CB 4.08Å; F305-Q380 HydrophobicContact CE1-CB 4.3Å; I306-Q380 VanDerWaalsContact N-OE1 3.17Å; I306-Q380 PolarHBondContact O-NE2 3.05Å; D377-Q380 HydrophobicContact CB-CB 4.04Å; D377-Q380 PolarHBondContact O-N 2.84Å; D377-Q380 VanDerWaalsContact O-N 3.17Å; D377-Q380 PolarHBondContact OD1-N 2.76Å; Q380-M383 WeakPolarHBondContact O-CG 3.49Å; Q380-S384 PolarHBondContact NE2-OG 3.19Å; Q380-S384 WeakPolarHBondContact O-CB 3.08Å; Q380-S384 PolarHBondContact O-N 2.96Å; Q380-S384 VanDerWaalsContact O-N 3.07Å; Q380-S384 PolarHBondContact O-OG 2.82Å; Q380-L403 HydrophobicContact CG-CD1 3.86Å; Q380-L403 HydrophobicContact CG-CD2 4.06Å; Q380-L403 HydrophobicContact CG-CG 4.39Å
381	M	94.2	Very high	94.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-41.2	177.7	-68.1	-78.5	-77.6	0	0	111.2	D377 E378 A379 S384 K385 V386 L388 I400 L403 L423	D377-M381 WeakPolarHBondContact O-CB 3.1Å; D377-M381 WeakPolarHBondContact O-CG 3.49Å; D377-M381 PolarHBondContact O-N 3.23Å; E378-M381 PolarHBondContact O-N 3.21Å; A379-M381 VanDerWaalsContact C-N 3.3Å; A379-M381 PolarHBondContact O-N 2.88Å; M381-S384 CarbonylContact O-C 3.53Å; M381-S384 PolarHBondContact O-N 2.89Å; M381-K385 PolarHBondContact O-N 3.21Å; M381-K385 VanDerWaalsContact O-N 3.08Å; M381-V386 HydrophobicContact CB-CG2 4.49Å; M381-V386 HydrophobicContact CE-CG2 4.18Å; M381-V386 WeakPolarHBondContact CE-O 3.11Å; M381-V386 PolarHBondContact O-N 2.91Å; M381-V386 HydrophobicContact SD-CG2 3.77Å; M381-L388 HydrophobicContact CE-CB 4.05Å; M381-I400 HydrophobicContact CE-CB 4.18Å; M381-I400 HydrophobicContact CE-CD1 3.79Å; M381-I400 HydrophobicContact CE-CG1 3.67Å; M381-I400 HydrophobicContact CE-CG2 3.52Å; M381-I400 HydrophobicContact SD-CG1 4.31Å; M381-I400 HydrophobicContact SD-CG2 4.11Å; M381-L403 HydrophobicContact CG-CD2 4.37Å; M381-L403 HydrophobicContact SD-CD2 3.53Å; M381-L403 VanDerWaalsContact SD-CD2 3.53Å; M381-L423 HydrophobicContact CE-CD1 4.49Å; M381-L423 HydrophobicContact CG-CD1 4.45Å
382	Q	93.4	Very high	94	Very high	68 Å²	68	19.8 Å²	19.8	32%	0.318	11%	0.112	S	C	.	.	H	α-helix	trans	-62.2	-51.8	176	-177	63.1	28.6	0	0	111.7	W166 F320 E378 A379 S384 K385	W166-Q382 HydrophobicContact CH2-CG 4.4Å; F320-Q382 HydrophobicContact CB-CG 4.33Å; F320-Q382 WeakPolarHBondContact O-CG 2.99Å; E378-Q382 VanDerWaalsContact O-CB 3.27Å; E378-Q382 WeakPolarHBondContact O-CB 3.4Å; E378-Q382 PolarHBondContact O-N 2.79Å; A379-Q382 PolarHBondContact O-N 2.85Å; Q382-S384 PolarHBondContact O-N 3.04Å; Q382-K385 WeakPolarHBondContact O-CA 3.38Å; Q382-K385 PolarHBondContact O-N 3.47Å
383	M	91.9	Very high	93.7	Very high	15 Å²	15	22.8 Å²	22.8	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-27.6	177.3	68.2	173.5	60.5	0	0	112.8	F305 P324 A379 Q380 K385	F305-M383 HydrophobicContact CD1-CE 3.33Å; F305-M383 HydrophobicContact CD1-SD 4.19Å; F305-M383 HydrophobicContact CE1-CE 3.62Å; F305-M383 HydrophobicContact CG-CE 4.01Å; F305-M383 HydrophobicContact CZ-CE 4.48Å; P324-M383 HydrophobicContact CG-CE 3.78Å; P324-M383 HydrophobicContact CG-CG 4.34Å; P324-M383 HydrophobicContact CG-SD 3.14Å; P324-M383 WeakPolarHBondContact CG-SD 3.46Å; A379-M383 WeakPolarHBondContact O-CG 3.41Å; A379-M383 PolarHBondContact O-N 3.15Å; Q380-M383 WeakPolarHBondContact O-CG 3.49Å; M383-K385 VanDerWaalsContact C-N 3.26Å
384	S	92.4	Very high	93.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.1	177	-60	0	0	0	0	112.5	Y311 Q380 M381 Q382 V386 Y399	Y311-S384 WeakPolarHBondContact CB-O 3.35Å; Y311-S384 PolarHBondContact N-O 3.38Å; Y311-S384 VanDerWaalsContact N-O 3.07Å; Q380-S384 PolarHBondContact NE2-OG 3.19Å; Q380-S384 WeakPolarHBondContact O-CB 3.08Å; Q380-S384 PolarHBondContact O-N 2.96Å; Q380-S384 VanDerWaalsContact O-N 3.07Å; Q380-S384 PolarHBondContact O-OG 2.82Å; M381-S384 CarbonylContact O-C 3.53Å; M381-S384 PolarHBondContact O-N 2.89Å; Q382-S384 PolarHBondContact O-N 3.04Å; S384-V386 VanDerWaalsContact C-N 3.29Å; S384-V386 PolarHBondContact O-N 3.22Å; S384-Y399 WeakPolarHBondContact CB-OH 3.34Å
385	K	91	Very high	92.8	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.135	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	37.3	-178.8	-54.3	177.2	-156	161.3	0	113.5	Q312 S314 E321 M381 Q382 M383 P387	Q312-K385 VanDerWaalsContact O-CD 3.31Å; Q312-K385 WeakPolarHBondContact O-CD 3.35Å; Q312-K385 WeakPolarHBondContact O-CE 3.37Å; Q312-K385 PolarHBondContact O-NZ 3.01Å; S314-K385 VanDerWaalsContact CB-NZ 3.28Å; S314-K385 WeakPolarHBondContact OG-CE 3.4Å; S314-K385 PolarHBondContact OG-NZ 2.75Å; E321-K385 VanDerWaalsContact O-CE 3.32Å; E321-K385 WeakPolarHBondContact O-CE 3.28Å; M381-K385 PolarHBondContact O-N 3.21Å; M381-K385 VanDerWaalsContact O-N 3.08Å; Q382-K385 WeakPolarHBondContact O-CA 3.38Å; Q382-K385 PolarHBondContact O-N 3.47Å; M383-K385 VanDerWaalsContact C-N 3.26Å; K385-P387 VanDerWaalsContact C-CD 3.43Å
386	V	93.6	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.			trans	-129.1	51	174.7	-65.6	0	0	0	0	113.3	Y311 M381 S384 L388 K396 Y399 I400 L403	Y311-V386 HydrophobicContact CD1-CG1 3.84Å; Y311-V386 HydrophobicContact CD2-CG1 4.35Å; Y311-V386 HydrophobicContact CG-CG1 3.6Å; M381-V386 HydrophobicContact CB-CG2 4.49Å; M381-V386 HydrophobicContact CE-CG2 4.18Å; M381-V386 WeakPolarHBondContact CE-O 3.11Å; M381-V386 PolarHBondContact O-N 2.91Å; M381-V386 HydrophobicContact SD-CG2 3.77Å; S384-V386 VanDerWaalsContact C-N 3.29Å; S384-V386 PolarHBondContact O-N 3.22Å; V386-L388 PolarHBondContact O-N 2.94Å; V386-L388 VanDerWaalsContact O-N 3.15Å; V386-K396 HydrophobicContact CB-CG 4.4Å; V386-K396 HydrophobicContact CG1-CG 3.96Å; V386-Y399 HydrophobicContact CB-CD1 4.21Å; V386-Y399 HydrophobicContact CB-CE1 4.43Å; V386-Y399 HydrophobicContact CG1-CD1 3.59Å; V386-Y399 HydrophobicContact CG1-CE1 3.93Å; V386-Y399 HydrophobicContact CG1-CG 4.35Å; V386-Y399 HydrophobicContact CG2-CD1 3.76Å; V386-Y399 HydrophobicContact CG2-CE1 3.63Å; V386-I400 HydrophobicContact CB-CD1 4.14Å; V386-I400 HydrophobicContact CB-CG1 3.78Å; V386-I400 HydrophobicContact CG1-CG1 4.45Å; V386-I400 HydrophobicContact CG2-CG1 3.94Å; V386-L403 HydrophobicContact CG2-CD2 4.36Å
387	P	92.8	Very high	92.4	Very high	37 Å²	37	33 Å²	33	24%	0.24	18%	0.18	C	C	.	.			trans	-50.2	127.7	169.9	-24.5	34.2	0	0	0	110.5	K385 L389 T390 K396	K385-P387 VanDerWaalsContact C-CD 3.43Å; P387-L389 VanDerWaalsContact C-N 3.33Å; P387-L389 PolarHBondContact O-N 3.27Å; P387-T390 HydrophobicContact CB-CG2 4.09Å; P387-T390 PolarHBondContact O-N 3.07Å; P387-T390 PolarHBondContact O-OG1 3.28Å; P387-K396 PolarHBondContact O-NZ 3.15Å; P387-K396 VanDerWaalsContact O-NZ 3.13Å
388	L	91.6	Very high	92	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-63.1	-41.5	-170.9	-177.1	68.8	0	0	0	111.6	M381 V386 T390 G391 W397 I400 L423 P652 Q653 V672 Y676	M381-L388 HydrophobicContact CE-CB 4.05Å; V386-L388 PolarHBondContact O-N 2.94Å; V386-L388 VanDerWaalsContact O-N 3.15Å; L388-T390 VanDerWaalsContact C-N 3.29Å; L388-T390 PolarHBondContact O-N 3.43Å; L388-G391 PolarHBondContact O-N 3.46Å; L388-W397 HydrophobicContact CD1-CZ3 4.03Å; L388-I400 HydrophobicContact CD1-CD1 3.95Å; L388-I400 HydrophobicContact CD1-CG2 4.25Å; L388-L423 HydrophobicContact CB-CD1 3.87Å; L388-L423 HydrophobicContact CB-CD2 3.95Å; L388-L423 HydrophobicContact CB-CG 4.49Å; L388-L423 HydrophobicContact CD2-CB 4.13Å; L388-L423 HydrophobicContact CD2-CD1 4.32Å; L388-L423 HydrophobicContact CD2-CD2 3.98Å; L388-L423 HydrophobicContact CD2-CG 4.37Å; L388-P652 HydrophobicContact CD1-CB 4.04Å; L388-P652 HydrophobicContact CD1-CG 3.95Å; L388-P652 HydrophobicContact CD2-CB 3.72Å; L388-Q653 HydrophobicContact CD2-CG 4.38Å; L388-V672 HydrophobicContact CD1-CG1 4.16Å; L388-V672 HydrophobicContact CD2-CG1 4.13Å; L388-V672 HydrophobicContact CG-CG1 3.99Å; L388-Y676 WeakPolarHBondContact CA-OH 3.36Å; L388-Y676 HydrophobicContact CD1-CE2 4.03Å; L388-Y676 VanDerWaalsContact O-CE2 3.28Å; L388-Y676 WeakPolarHBondContact O-CE2 3.33Å; L388-Y676 PolarHBondContact O-OH 2.92Å
389	L	91.4	Very high	91.8	Very high	31 Å²	31	32.2 Å²	32.2	16%	0.162	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-81.6	-1.4	-171.2	-58	-176.9	0	0	0	114.5	P387 L423 L661 N663 M667 V672 L675	P387-L389 VanDerWaalsContact C-N 3.33Å; P387-L389 PolarHBondContact O-N 3.27Å; L389-L423 HydrophobicContact CG-CD2 4.28Å; L389-L661 HydrophobicContact CD2-CB 4.28Å; L389-L661 HydrophobicContact CD2-CD1 4.21Å; L389-L661 HydrophobicContact CD2-CD2 4.38Å; L389-N663 HydrophobicContact CB-CB 4.26Å; L389-N663 HydrophobicContact CD1-CB 4.35Å; L389-N663 PolarHBondContact O-ND2 3.33Å; L389-M667 HydrophobicContact CD2-SD 4.12Å; L389-V672 HydrophobicContact CD2-CG2 4.19Å; L389-L675 WeakPolarHBondContact O-CD1 3.29Å
390	T	91.2	Very high	91.7	Very high	96 Å²	96	32 Å²	32	59%	0.589	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-83.8	-0.3	172.2	54.3	0	0	0	0	112.8	P387 L388 K396	P387-T390 HydrophobicContact CB-CG2 4.09Å; P387-T390 PolarHBondContact O-N 3.07Å; P387-T390 PolarHBondContact O-OG1 3.28Å; L388-T390 VanDerWaalsContact C-N 3.29Å; L388-T390 PolarHBondContact O-N 3.43Å; T390-K396 PolarHBondContact OG1-NZ 2.9Å
391	G	90.5	Very high	91.4	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	18%	0.175	C	C	.	.			trans	62.3	-165.7	-178.6	0	0	0	0	0	113.2	L388 K396 L675	L388-G391 PolarHBondContact O-N 3.46Å; G391-K396 VanDerWaalsContact O-CD 3.28Å; G391-K396 WeakPolarHBondContact O-CD 3.36Å; G391-K396 WeakPolarHBondContact O-CE 3.44Å; G391-K396 PolarHBondContact O-NZ 3.22Å; G391-L675 CarbonylContact C-O 3.5Å; G391-L675 WeakPolarHBondContact CA-O 3.48Å
392	G	91.5	Very high	91.2	Very high	27 Å²	27	35 Å²	35	28%	0.278	19%	0.192	S	C	.	.			trans	138.1	-165.6	170.4	0	0	0	0	0	113.5	L675 Y676	G392-L675 PolarHBondContact N-O 3.13Å; G392-Y676 VanDerWaalsContact O-CA 3.27Å; G392-Y676 WeakPolarHBondContact O-CA 3.17Å; G392-Y676 WeakPolarHBondContact O-CD1 3.14Å
393	T	91.6	Very high	91.2	Very high	63 Å²	63	31.9 Å²	31.9	39%	0.387	18%	0.177	S	C	.	.			trans	-67.6	161.8	-173.4	59.1	0	0	0	0	112.9	Y311 S395 K396 W397	Y311-T393 PolarHBondContact OH-OG1 2.95Å; T393-S395 PolarHBondContact O-N 3.09Å; T393-S395 PolarHBondContact OG1-OG 2.04Å; T393-K396 WeakPolarHBondContact O-CB 3.39Å; T393-K396 PolarHBondContact O-N 3.33Å; T393-K396 PolarHBondContact OG1-N 2.75Å; T393-W397 PolarHBondContact O-N 3.32Å; T393-W397 VanDerWaalsContact O-N 3.15Å
394	Y	86.9	Confident	91.2	Very high	114 Å²	114	31.1 Å²	31.1	45%	0.447	17%	0.174	S	C	.	.	H	α-helix	trans	-53.5	-36.5	169.7	-179.8	-103.9	0	0	0	112.7	K396 W397 V398	Y394-K396 VanDerWaalsContact C-N 3.33Å; Y394-K396 PolarHBondContact O-N 3.08Å; Y394-W397 WeakPolarHBondContact O-CB 3.4Å; Y394-W397 PolarHBondContact O-N 3.45Å; Y394-V398 HydrophobicContact CD1-CG2 3.94Å; Y394-V398 HydrophobicContact CE1-CG2 3.45Å; Y394-V398 VanDerWaalsContact CE1-CG2 3.45Å; Y394-V398 HydrophobicContact CE2-CG2 4.11Å; Y394-V398 HydrophobicContact CG-CG2 4.45Å; Y394-V398 WeakPolarHBondContact O-CG2 3.31Å; Y394-V398 PolarHBondContact O-N 2.79Å
395	S	90.6	Very high	91.1	Very high	63 Å²	63	33.1 Å²	33.1	44%	0.441	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-38.6	176.4	59.8	0	0	0	0	112.9	Y311 T393 V398 Y399	Y311-S395 PolarHBondContact OH-OG 3.16Å; T393-S395 PolarHBondContact O-N 3.09Å; T393-S395 PolarHBondContact OG1-OG 2.04Å; S395-V398 PolarHBondContact O-N 3.16Å; S395-Y399 PolarHBondContact O-N 2.85Å
396	K	92.6	Very high	91.1	Very high	17 Å²	17	34.8 Å²	34.8	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-44.5	174	-174.9	-177.4	171.2	-176.3	0	110.6	Y311 V386 P387 T390 G391 T393 Y394 V398 Y399 I400 Y676	Y311-K396 HydrophobicContact CE1-CB 4.08Å; Y311-K396 HydrophobicContact CE1-CG 4.18Å; Y311-K396 HydrophobicContact CE2-CB 4.3Å; V386-K396 HydrophobicContact CB-CG 4.4Å; V386-K396 HydrophobicContact CG1-CG 3.96Å; P387-K396 PolarHBondContact O-NZ 3.15Å; P387-K396 VanDerWaalsContact O-NZ 3.13Å; T390-K396 PolarHBondContact OG1-NZ 2.9Å; G391-K396 VanDerWaalsContact O-CD 3.28Å; G391-K396 WeakPolarHBondContact O-CD 3.36Å; G391-K396 WeakPolarHBondContact O-CE 3.44Å; G391-K396 PolarHBondContact O-NZ 3.22Å; T393-K396 WeakPolarHBondContact O-CB 3.39Å; T393-K396 PolarHBondContact O-N 3.33Å; T393-K396 PolarHBondContact OG1-N 2.75Å; Y394-K396 VanDerWaalsContact C-N 3.33Å; Y394-K396 PolarHBondContact O-N 3.08Å; K396-V398 PolarHBondContact O-N 3.36Å; K396-Y399 WeakPolarHBondContact O-CB 3.21Å; K396-Y399 PolarHBondContact O-N 3.33Å; K396-I400 HydrophobicContact CG-CD1 4.26Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.45Å; K396-I400 PolarHBondContact O-N 2.72Å; K396-Y676 HydrophobicContact CB-CE1 4.29Å; K396-Y676 HydrophobicContact CD-CE1 4.07Å; K396-Y676 HydrophobicContact CG-CE1 4.13Å
397	W	90.2	Very high	91.2	Very high	23 Å²	23	35 Å²	35	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-57.2	-48.7	175.2	-179.9	-103	0	0	0	111.7	L388 T393 Y394 Y399 I400 Q401 P652 V672 L673 Y676	L388-W397 HydrophobicContact CD1-CZ3 4.03Å; T393-W397 PolarHBondContact O-N 3.32Å; T393-W397 VanDerWaalsContact O-N 3.15Å; Y394-W397 WeakPolarHBondContact O-CB 3.4Å; Y394-W397 PolarHBondContact O-N 3.45Å; W397-Y399 VanDerWaalsContact C-N 3.32Å; W397-Y399 PolarHBondContact O-N 2.75Å; W397-I400 WeakPolarHBondContact O-CB 3.36Å; W397-I400 PolarHBondContact O-N 2.99Å; W397-I400 VanDerWaalsContact O-N 3.11Å; W397-Q401 VanDerWaalsContact CE2-NE2 3.33Å; W397-Q401 WeakPolarHBondContact O-CG 3.4Å; W397-Q401 PolarHBondContact O-N 2.82Å; W397-P652 HydrophobicContact CH2-CG 4.02Å; W397-P652 HydrophobicContact CZ3-CG 4.13Å; W397-V672 HydrophobicContact CZ3-CG1 4.24Å; W397-L673 HydrophobicContact CH2-CD2 3.69Å; W397-L673 HydrophobicContact CZ2-CD2 3.72Å; W397-L673 HydrophobicContact CZ3-CD2 4.32Å; W397-Y676 HydrophobicContact CB-CD1 3.69Å; W397-Y676 HydrophobicContact CB-CE1 4.11Å; W397-Y676 HydrophobicContact CB-CG 4.28Å; W397-Y676 HydrophobicContact CD2-CG 4.46Å; W397-Y676 HydrophobicContact CE3-CD1 4.08Å; W397-Y676 AromaticContact CE3-CD2 3.67Å; W397-Y676 HydrophobicContact CE3-CD2 3.67Å; W397-Y676 HydrophobicContact CE3-CE1 4.18Å; W397-Y676 AromaticContact CE3-CE2 3.83Å; W397-Y676 HydrophobicContact CE3-CE2 3.83Å; W397-Y676 AromaticContact CE3-CG 3.83Å; W397-Y676 HydrophobicContact CE3-CG 3.83Å; W397-Y676 HydrophobicContact CG-CD1 4.49Å; W397-Y676 HydrophobicContact CZ3-CD2 4.04Å; W397-Y676 HydrophobicContact CZ3-CE2 4.12Å
398	V	88.6	Confident	91.1	Very high	37 Å²	37	34.1 Å²	34.1	22%	0.224	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-42.3	177	171.7	0	0	0	0	111.8	Y394 S395 K396 I400 Q401 N402	Y394-V398 HydrophobicContact CD1-CG2 3.94Å; Y394-V398 HydrophobicContact CE1-CG2 3.45Å; Y394-V398 VanDerWaalsContact CE1-CG2 3.45Å; Y394-V398 HydrophobicContact CE2-CG2 4.11Å; Y394-V398 HydrophobicContact CG-CG2 4.45Å; Y394-V398 WeakPolarHBondContact O-CG2 3.31Å; Y394-V398 PolarHBondContact O-N 2.79Å; S395-V398 PolarHBondContact O-N 3.16Å; K396-V398 PolarHBondContact O-N 3.36Å; V398-I400 VanDerWaalsContact C-N 3.34Å; V398-I400 PolarHBondContact O-N 3.32Å; V398-Q401 PolarHBondContact O-N 3.13Å; V398-N402 WeakPolarHBondContact O-CB 3.18Å; V398-N402 PolarHBondContact O-N 2.94Å; V398-N402 PolarHBondContact O-ND2 3.41Å
399	Y	92.6	Very high	91.1	Very high	34 Å²	34	39.9 Å²	39.9	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-47.5	174.7	178.9	-80.2	0	0	0	111.2	I308 P309 Y311 S384 V386 S395 K396 W397 Q401 N402 L403	I308-Y399 HydrophobicContact CD1-CE2 4.34Å; I308-Y399 WeakPolarHBondContact CG2-OH 3.47Å; P309-Y399 PolarHBondContact O-OH 3.26Å; Y311-Y399 AromaticContact CD2-CD2 3.94Å; Y311-Y399 HydrophobicContact CD2-CD2 3.94Å; Y311-Y399 AromaticContact CD2-CG 3.86Å; Y311-Y399 HydrophobicContact CD2-CG 3.86Å; Y311-Y399 HydrophobicContact CG-CG 4.39Å; S384-Y399 WeakPolarHBondContact CB-OH 3.34Å; V386-Y399 HydrophobicContact CB-CD1 4.21Å; V386-Y399 HydrophobicContact CB-CE1 4.43Å; V386-Y399 HydrophobicContact CG1-CD1 3.59Å; V386-Y399 HydrophobicContact CG1-CE1 3.93Å; V386-Y399 HydrophobicContact CG1-CG 4.35Å; V386-Y399 HydrophobicContact CG2-CD1 3.76Å; V386-Y399 HydrophobicContact CG2-CE1 3.63Å; S395-Y399 PolarHBondContact O-N 2.85Å; K396-Y399 WeakPolarHBondContact O-CB 3.21Å; K396-Y399 PolarHBondContact O-N 3.33Å; W397-Y399 VanDerWaalsContact C-N 3.32Å; W397-Y399 PolarHBondContact O-N 2.75Å; Y399-Q401 VanDerWaalsContact C-N 3.33Å; Y399-Q401 PolarHBondContact O-N 2.81Å; Y399-N402 PolarHBondContact O-N 3.34Å; Y399-L403 HydrophobicContact CE1-CB 4.35Å; Y399-L403 HydrophobicContact CE1-CD2 4.22Å; Y399-L403 WeakPolarHBondContact O-CB 3.42Å; Y399-L403 PolarHBondContact O-N 3.2Å
400	I	92.8	Very high	91.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-46.9	179.4	-67.7	172.3	0	0	0	110.7	F376 M381 V386 L388 K396 W397 V398 N402 L403 G404 P652 Y676	F376-I400 HydrophobicContact CD1-CG2 3.67Å; F376-I400 HydrophobicContact CE1-CG2 3.76Å; F376-I400 VanDerWaalsContact CE1-O 3.28Å; F376-I400 WeakPolarHBondContact CE1-O 3.29Å; M381-I400 HydrophobicContact CE-CB 4.18Å; M381-I400 HydrophobicContact CE-CD1 3.79Å; M381-I400 HydrophobicContact CE-CG1 3.67Å; M381-I400 HydrophobicContact CE-CG2 3.52Å; M381-I400 HydrophobicContact SD-CG1 4.31Å; M381-I400 HydrophobicContact SD-CG2 4.11Å; V386-I400 HydrophobicContact CB-CD1 4.14Å; V386-I400 HydrophobicContact CB-CG1 3.78Å; V386-I400 HydrophobicContact CG1-CG1 4.45Å; V386-I400 HydrophobicContact CG2-CG1 3.94Å; L388-I400 HydrophobicContact CD1-CD1 3.95Å; L388-I400 HydrophobicContact CD1-CG2 4.25Å; K396-I400 HydrophobicContact CG-CD1 4.26Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.45Å; K396-I400 PolarHBondContact O-N 2.72Å; W397-I400 WeakPolarHBondContact O-CB 3.36Å; W397-I400 PolarHBondContact O-N 2.99Å; W397-I400 VanDerWaalsContact O-N 3.11Å; V398-I400 VanDerWaalsContact C-N 3.34Å; V398-I400 PolarHBondContact O-N 3.32Å; I400-N402 VanDerWaalsContact C-N 3.33Å; I400-N402 PolarHBondContact O-N 3.12Å; I400-L403 WeakPolarHBondContact O-CB 3.18Å; I400-L403 PolarHBondContact O-N 3.45Å; I400-G404 PolarHBondContact O-N 3.42Å; I400-P652 HydrophobicContact CG2-CG 3.69Å; I400-Y676 HydrophobicContact CD1-CE1 4.15Å; I400-Y676 WeakPolarHBondContact CD1-OH 3.27Å
401	Q	88.8	Confident	91.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-41	178.7	-62.3	-170.8	-37.8	0	0	112.2	W397 V398 Y399 G404 K405 H649 L650	W397-Q401 VanDerWaalsContact CE2-NE2 3.33Å; W397-Q401 WeakPolarHBondContact O-CG 3.4Å; W397-Q401 PolarHBondContact O-N 2.82Å; V398-Q401 PolarHBondContact O-N 3.13Å; Y399-Q401 VanDerWaalsContact C-N 3.33Å; Y399-Q401 PolarHBondContact O-N 2.81Å; Q401-G404 PolarHBondContact O-N 2.8Å; Q401-K405 WeakPolarHBondContact O-CG 2.97Å; Q401-K405 PolarHBondContact O-N 3.38Å; Q401-K405 VanDerWaalsContact O-N 3.12Å; Q401-H649 PolarHBondContact OE1-ND1 2.98Å; Q401-L650 VanDerWaalsContact CG-O 3.23Å; Q401-L650 WeakPolarHBondContact CG-O 3.05Å; Q401-L650 PolarHBondContact NE2-O 3.31Å
402	N	89.8	Confident	91.3	Very high	67 Å²	67	40.1 Å²	40.1	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-66.5	-40.2	176.4	-73.3	-19.3	0	0	0	111.8	V398 Y399 I400 G404 K405 E406	V398-N402 WeakPolarHBondContact O-CB 3.18Å; V398-N402 PolarHBondContact O-N 2.94Å; V398-N402 PolarHBondContact O-ND2 3.41Å; Y399-N402 PolarHBondContact O-N 3.34Å; I400-N402 VanDerWaalsContact C-N 3.33Å; I400-N402 PolarHBondContact O-N 3.12Å; N402-G404 PolarHBondContact O-N 2.89Å; N402-K405 WeakPolarHBondContact O-CB 3.45Å; N402-K405 PolarHBondContact O-N 2.93Å; N402-K405 VanDerWaalsContact O-N 3.15Å; N402-K405 PolarHBondContact OD1-NZ 2.9Å; N402-E406 WeakPolarHBondContact O-CG 3.46Å; N402-E406 PolarHBondContact O-N 3.08Å
403	L	93.1	Very high	90.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-50	173.3	172.1	56.5	0	0	0	111.1	I306 I308 Q380 M381 V386 Y399 I400 K405 E406 V407	I306-L403 HydrophobicContact CD1-CD1 3.86Å; I306-L403 HydrophobicContact CG1-CD1 4.18Å; I308-L403 HydrophobicContact CD1-CD1 4.28Å; I308-L403 HydrophobicContact CG2-CD1 4.16Å; Q380-L403 HydrophobicContact CG-CD1 3.86Å; Q380-L403 HydrophobicContact CG-CD2 4.06Å; Q380-L403 HydrophobicContact CG-CG 4.39Å; M381-L403 HydrophobicContact CG-CD2 4.37Å; M381-L403 HydrophobicContact SD-CD2 3.53Å; M381-L403 VanDerWaalsContact SD-CD2 3.53Å; V386-L403 HydrophobicContact CG2-CD2 4.36Å; Y399-L403 HydrophobicContact CE1-CB 4.35Å; Y399-L403 HydrophobicContact CE1-CD2 4.22Å; Y399-L403 WeakPolarHBondContact O-CB 3.42Å; Y399-L403 PolarHBondContact O-N 3.2Å; I400-L403 WeakPolarHBondContact O-CB 3.18Å; I400-L403 PolarHBondContact O-N 3.45Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 2.95Å; L403-E406 PolarHBondContact O-N 2.88Å; L403-E406 VanDerWaalsContact O-N 3.15Å; L403-V407 HydrophobicContact CD1-CG2 4.21Å; L403-V407 WeakPolarHBondContact O-CG2 3.22Å; L403-V407 PolarHBondContact O-N 3.32Å
404	G	93	Very high	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.2	-35.5	177.6	0	0	0	0	0	113.5	L375 I400 Q401 N402 A408 L650	L375-G404 WeakPolarHBondContact O-CA 3.47Å; I400-G404 PolarHBondContact O-N 3.42Å; Q401-G404 PolarHBondContact O-N 2.8Å; N402-G404 PolarHBondContact O-N 2.89Å; G404-A408 WeakPolarHBondContact O-CB 3.33Å; G404-A408 PolarHBondContact O-N 2.78Å; G404-L650 VanDerWaalsContact C-CD2 3.48Å
405	K	88.6	Confident	91	Very high	44 Å²	44	34.2 Å²	34.2	19%	0.191	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-43.2	172.3	-66.5	171.1	-160.8	-177.1	0	112.7	Q401 N402 L403 V407 A408 R409 D648 L650	Q401-K405 WeakPolarHBondContact O-CG 2.97Å; Q401-K405 PolarHBondContact O-N 3.38Å; Q401-K405 VanDerWaalsContact O-N 3.12Å; N402-K405 WeakPolarHBondContact O-CB 3.45Å; N402-K405 PolarHBondContact O-N 2.93Å; N402-K405 VanDerWaalsContact O-N 3.15Å; N402-K405 PolarHBondContact OD1-NZ 2.9Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 2.95Å; K405-V407 VanDerWaalsContact C-N 3.31Å; K405-A408 PolarHBondContact O-N 3.42Å; K405-R409 VanDerWaalsContact O-CB 3.3Å; K405-R409 WeakPolarHBondContact O-CB 3.35Å; K405-R409 PolarHBondContact O-N 2.66Å; K405-D648 WeakPolarHBondContact CE-O 3.43Å; K405-D648 PolarHBondContact NZ-O 3.21Å; K405-L650 HydrophobicContact CG-CB 4.27Å
406	E	91.6	Very high	91.2	Very high	66 Å²	66	31.2 Å²	31.2	31%	0.308	16%	0.158	S	C	.	.	H	α-helix	trans	-64	-40.2	178.4	-69.5	-51.1	139.6	0	0	110.9	I306 N402 L403 R409 S410	I306-E406 HydrophobicContact CD1-CB 3.45Å; I306-E406 VanDerWaalsContact CD1-CB 3.45Å; N402-E406 WeakPolarHBondContact O-CG 3.46Å; N402-E406 PolarHBondContact O-N 3.08Å; L403-E406 PolarHBondContact O-N 2.88Å; L403-E406 VanDerWaalsContact O-N 3.15Å; E406-R409 PolarHBondContact O-N 3.09Å; E406-R409 IonicContact OE1-CZ 2.68Å; E406-R409 IonicContact OE1-NH1 3.67Å; E406-R409 PolarHBondContact OE1-NH1 2.77Å; E406-R409 IonicContact OE1-NH2 2.7Å; E406-R409 IonicContact OE2-CZ 3.35Å; E406-R409 IonicContact OE2-NH1 3.95Å; E406-R409 PolarHBondContact OE2-NH1 2.87Å; E406-S410 WeakPolarHBondContact O-CB 3.4Å; E406-S410 PolarHBondContact O-N 3.22Å; E406-S410 PolarHBondContact O-OG 3.16Å
407	V	95.1	Very high	91.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-53.4	172.1	175.4	0	0	0	0	109.8	I306 Q373 L375 L403 K405 R409 S410 L411	I306-V407 HydrophobicContact CD1-CG2 3.88Å; I306-V407 HydrophobicContact CG1-CG2 4.16Å; I306-V407 HydrophobicContact CG2-CG2 4.26Å; Q373-V407 HydrophobicContact CG-CG1 4.07Å; L375-V407 HydrophobicContact CD2-CB 4.45Å; L375-V407 HydrophobicContact CD2-CG1 3.95Å; L403-V407 HydrophobicContact CD1-CG2 4.21Å; L403-V407 WeakPolarHBondContact O-CG2 3.22Å; L403-V407 PolarHBondContact O-N 3.32Å; K405-V407 VanDerWaalsContact C-N 3.31Å; V407-R409 PolarHBondContact O-N 2.94Å; V407-S410 PolarHBondContact O-N 3.12Å; V407-S410 PolarHBondContact O-OG 3.42Å; V407-L411 HydrophobicContact CG1-CD1 3.88Å; V407-L411 WeakPolarHBondContact O-CG 3.41Å; V407-L411 PolarHBondContact O-N 2.93Å; V407-L411 VanDerWaalsContact O-N 3.13Å
408	A	92	Very high	91.8	Very high	18 Å²	18	29.3 Å²	29.3	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-46.1	178.4	0	0	0	0	0	112.5	L375 G404 K405 L411 Q412 I593	L375-A408 HydrophobicContact CD1-CB 4.45Å; L375-A408 HydrophobicContact CD2-CB 3.87Å; G404-A408 WeakPolarHBondContact O-CB 3.33Å; G404-A408 PolarHBondContact O-N 2.78Å; K405-A408 PolarHBondContact O-N 3.42Å; A408-L411 PolarHBondContact O-N 3.05Å; A408-Q412 PolarHBondContact O-N 2.77Å; A408-I593 HydrophobicContact CB-CG2 3.88Å
409	R	90.4	Very high	92.2	Very high	124 Å²	124	27.6 Å²	27.6	47%	0.468	14%	0.139	S	C	.	.	H	α-helix	trans	-62.2	-45.1	178.5	-172.7	-176.4	-65.3	103.8	-5.6	111.5	K405 E406 V407 L411 Q412	K405-R409 VanDerWaalsContact O-CB 3.3Å; K405-R409 WeakPolarHBondContact O-CB 3.35Å; K405-R409 PolarHBondContact O-N 2.66Å; E406-R409 PolarHBondContact O-N 3.09Å; E406-R409 IonicContact OE1-CZ 2.68Å; E406-R409 IonicContact OE1-NH1 3.67Å; E406-R409 PolarHBondContact OE1-NH1 2.77Å; E406-R409 IonicContact OE1-NH2 2.7Å; E406-R409 IonicContact OE2-CZ 3.35Å; E406-R409 IonicContact OE2-NH1 3.95Å; E406-R409 PolarHBondContact OE2-NH1 2.87Å; V407-R409 PolarHBondContact O-N 2.94Å; R409-L411 PolarHBondContact O-N 2.83Å; R409-Q412 WeakPolarHBondContact O-CB 3.26Å; R409-Q412 PolarHBondContact O-N 3.17Å
410	S	93.5	Very high	92.3	Very high	29 Å²	29	26 Å²	26	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-33.2	-179.8	74.2	0	0	0	0	112.5	W304 E406 V407 S413	W304-S410 PolarHBondContact NE1-OG 2.87Å; E406-S410 WeakPolarHBondContact O-CB 3.4Å; E406-S410 PolarHBondContact O-N 3.22Å; E406-S410 PolarHBondContact O-OG 3.16Å; V407-S410 PolarHBondContact O-N 3.12Å; V407-S410 PolarHBondContact O-OG 3.42Å; S410-S413 PolarHBondContact O-OG 2.9Å
411	L	94.7	Very high	92.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.8	-23	179.6	-73.3	165.5	0	0	0	114	W304 I371 Q373 L375 V407 A408 R409 S413 A414 V417 A419 H591 I593	W304-L411 HydrophobicContact CB-CD2 4.46Å; W304-L411 HydrophobicContact CD2-CD2 3.56Å; W304-L411 HydrophobicContact CD2-CG 4.47Å; W304-L411 HydrophobicContact CE3-CD2 4.15Å; W304-L411 HydrophobicContact CG-CD2 3.69Å; W304-L411 HydrophobicContact CG-CG 4.38Å; W304-L411 HydrophobicContact CZ2-CD2 4.15Å; I371-L411 HydrophobicContact CB-CD2 4.46Å; I371-L411 HydrophobicContact CD1-CD2 4.19Å; I371-L411 HydrophobicContact CG2-CD2 3.73Å; Q373-L411 HydrophobicContact CB-CD1 4.27Å; Q373-L411 HydrophobicContact CG-CD1 4.36Å; L375-L411 HydrophobicContact CD2-CD1 4.28Å; V407-L411 HydrophobicContact CG1-CD1 3.88Å; V407-L411 WeakPolarHBondContact O-CG 3.41Å; V407-L411 PolarHBondContact O-N 2.93Å; V407-L411 VanDerWaalsContact O-N 3.13Å; A408-L411 PolarHBondContact O-N 3.05Å; R409-L411 PolarHBondContact O-N 2.83Å; L411-S413 PolarHBondContact O-N 2.88Å; L411-A414 WeakPolarHBondContact O-CB 3.5Å; L411-A414 PolarHBondContact O-N 3.08Å; L411-V417 HydrophobicContact CB-CG1 4.22Å; L411-V417 HydrophobicContact CB-CG2 4.4Å; L411-V417 HydrophobicContact CD1-CG1 4.17Å; L411-V417 HydrophobicContact CD2-CG1 4.08Å; L411-V417 HydrophobicContact CD2-CG2 4.23Å; L411-V417 HydrophobicContact CG-CG1 4.41Å; L411-A419 HydrophobicContact CD1-CB 3.69Å; L411-H591 PolarHBondContact O-CE1 2.98Å; L411-I593 HydrophobicContact CB-CD1 3.7Å; L411-I593 HydrophobicContact CB-CG1 4.42Å
412	Q	88.9	Confident	92.5	Very high	108 Å²	108	25.8 Å²	25.8	51%	0.505	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.9	-178.7	-65.8	177.8	4.8	0	0	113.4	A408 R409 A414 R582 I593	A408-Q412 PolarHBondContact O-N 2.77Å; R409-Q412 WeakPolarHBondContact O-CB 3.26Å; R409-Q412 PolarHBondContact O-N 3.17Å; Q412-A414 VanDerWaalsContact C-N 3.32Å; Q412-R582 PolarHBondContact O-NH1 3.23Å; Q412-I593 HydrophobicContact CG-CD1 4.35Å
413	S	84.3	Confident	92.7	Very high	80 Å²	80	23.1 Å²	23.1	56%	0.559	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.5	179.9	69.1	0	0	0	0	114	S410 L411	S410-S413 PolarHBondContact O-OG 2.9Å; L411-S413 PolarHBondContact O-N 2.88Å
414	A	91	Very high	92.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-82.3	159.2	-172.4	0	0	0	0	0	114	W304 Y362 I371 L411 Q412 V417 H591	W304-A414 HydrophobicContact CH2-CB 4.29Å; Y362-A414 HydrophobicContact CE1-CB 3.79Å; I371-A414 HydrophobicContact CD1-CB 3.36Å; L411-A414 WeakPolarHBondContact O-CB 3.5Å; L411-A414 PolarHBondContact O-N 3.08Å; Q412-A414 VanDerWaalsContact C-N 3.32Å; A414-V417 HydrophobicContact CB-CG2 3.66Å; A414-H591 PolarHBondContact O-CE1 3.33Å; A414-H591 PolarHBondContact O-ND1 3.46Å
415	G	89	Confident	93	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-79.8	-30	-173.9	0	0	0	0	0	114.8	Y362 N578 F581 Y590	Y362-G415 PolarHBondContact OH-N 3.14Å; G415-N578 WeakPolarHBondContact CA-O 3.1Å; G415-F581 WeakPolarHBondContact O-CB 3.42Å; G415-Y590 VanDerWaalsContact O-CE2 3.3Å; G415-Y590 WeakPolarHBondContact O-CE2 3.4Å
416	G	95.3	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-155.3	128.6	178.4	0	0	0	0	0	109.7	I371 Y590	I371-G416 PolarHBondContact N-O 2.82Å; I371-G416 VanDerWaalsContact N-O 3.08Å; G416-Y590 CarbonylContact C-O 3.53Å; G416-Y590 WeakPolarHBondContact CA-O 3.36Å
417	V	97.1	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.3	-168	179	0	0	0	0	109	Y370 I371 L411 A414 A419 Y590 H591 V592 I593	Y370-V417 PolarHBondContact OH-O 3.24Å; I371-V417 HydrophobicContact CB-CG2 4.46Å; I371-V417 HydrophobicContact CD1-CG2 4.08Å; I371-V417 CarbonylContact O-C 3.53Å; I371-V417 WeakPolarHBondContact O-CA 2.73Å; L411-V417 HydrophobicContact CB-CG1 4.22Å; L411-V417 HydrophobicContact CB-CG2 4.4Å; L411-V417 HydrophobicContact CD1-CG1 4.17Å; L411-V417 HydrophobicContact CD2-CG1 4.08Å; L411-V417 HydrophobicContact CD2-CG2 4.23Å; L411-V417 HydrophobicContact CG-CG1 4.41Å; A414-V417 HydrophobicContact CB-CG2 3.66Å; V417-A419 HydrophobicContact CG1-CB 3.76Å; V417-Y590 PolarHBondContact N-O 3.16Å; V417-Y590 CarbonylContact O-C 3.52Å; V417-H591 CarbonylContact O-C 3.52Å; V417-H591 WeakPolarHBondContact O-CA 3.48Å; V417-V592 PolarHBondContact O-N 2.91Å; V417-I593 HydrophobicContact CB-CG1 4.44Å; V417-I593 HydrophobicContact CG1-CD1 4.39Å; V417-I593 HydrophobicContact CG1-CG1 3.76Å
418	F	97.5	Very high	93.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107	159.8	-173.3	-86.2	0	0	0	108.1	Y370 I371 V372 Q373 P420 K436 I438 L443 A446 V592	Y370-F418 HydrophobicContact CE1-CB 4.08Å; I371-F418 PolarHBondContact O-N 3.48Å; V372-F418 WeakPolarHBondContact CA-O 3.36Å; Q373-F418 PolarHBondContact N-O 3.06Å; F418-P420 HydrophobicContact CD1-CG 4.36Å; F418-P420 HydrophobicContact CE1-CB 4.21Å; F418-P420 HydrophobicContact CE1-CG 4.03Å; F418-K436 HydrophobicContact CE1-CB 4.11Å; F418-K436 HydrophobicContact CZ-CB 4.28Å; F418-I438 HydrophobicContact CD1-CD1 4.23Å; F418-I438 HydrophobicContact CD2-CD1 4.06Å; F418-I438 HydrophobicContact CE1-CD1 4.04Å; F418-I438 HydrophobicContact CE1-CG1 4.21Å; F418-I438 HydrophobicContact CE2-CB 4.38Å; F418-I438 HydrophobicContact CE2-CD1 3.87Å; F418-I438 HydrophobicContact CE2-CG1 3.95Å; F418-I438 HydrophobicContact CG-CD1 4.24Å; F418-I438 HydrophobicContact CZ-CB 4.5Å; F418-I438 HydrophobicContact CZ-CD1 3.86Å; F418-I438 HydrophobicContact CZ-CG1 3.72Å; F418-L443 HydrophobicContact CB-CD1 3.67Å; F418-L443 HydrophobicContact CD1-CB 4.06Å; F418-L443 HydrophobicContact CD1-CD1 3.6Å; F418-L443 HydrophobicContact CD1-CD2 4.41Å; F418-L443 HydrophobicContact CD1-CG 4.23Å; F418-L443 HydrophobicContact CD2-CB 4.22Å; F418-L443 HydrophobicContact CD2-CD1 4.14Å; F418-L443 HydrophobicContact CE1-CB 3.84Å; F418-L443 HydrophobicContact CE1-CD1 4.26Å; F418-L443 HydrophobicContact CE1-CD2 4.48Å; F418-L443 HydrophobicContact CE1-CG 4.42Å; F418-L443 HydrophobicContact CE2-CB 3.99Å; F418-L443 HydrophobicContact CG-CB 4.24Å; F418-L443 HydrophobicContact CG-CD1 3.53Å; F418-L443 HydrophobicContact CG-CG 4.43Å; F418-L443 HydrophobicContact CZ-CB 3.79Å; F418-A446 HydrophobicContact CD2-CB 3.96Å; F418-V592 CarbonylContact C-O 3.57Å; F418-V592 WeakPolarHBondContact CA-O 3.37Å
419	A	97	Very high	94	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	87.2	-173.6	0	0	0	0	0	112.9	Q373 L375 L411 V417 V592 I593 D594	Q373-A419 WeakPolarHBondContact O-CA 3.41Å; Q373-A419 VanDerWaalsContact O-CB 3.25Å; Q373-A419 WeakPolarHBondContact O-CB 3.42Å; L375-A419 HydrophobicContact CD2-CB 3.88Å; L375-A419 HydrophobicContact CG-CB 4.38Å; L411-A419 HydrophobicContact CD1-CB 3.69Å; V417-A419 HydrophobicContact CG1-CB 3.76Å; A419-V592 PolarHBondContact N-O 2.61Å; A419-I593 HydrophobicContact CB-CB 4.47Å; A419-I593 HydrophobicContact CB-CG1 4.22Å; A419-I593 HydrophobicContact CB-CG2 4.28Å; A419-D594 WeakPolarHBondContact O-CB 3.21Å; A419-D594 PolarHBondContact O-N 2.78Å
420	P	95.1	Very high	94.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.			trans	-74.3	149.7	-178.4	31.7	-34.8	0	0	0	111.4	L375 F418 C422 I427 I438	L375-P420 PolarHBondContact N-O 2.69Å; F418-P420 HydrophobicContact CD1-CG 4.36Å; F418-P420 HydrophobicContact CE1-CB 4.21Å; F418-P420 HydrophobicContact CE1-CG 4.03Å; P420-C422 PolarHBondContact O-N 3.07Å; P420-I427 HydrophobicContact CG-CD1 3.9Å; P420-I438 HydrophobicContact CB-CD1 4.36Å; P420-I438 HydrophobicContact CB-CG1 4.26Å
421	S	92.5	Very high	93.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-83.3	61	175.5	-164.2	0	0	0	0	111.3	F376 D594 I651 Q653 C654	F376-S421 WeakPolarHBondContact CE2-OG 3.43Å; S421-D594 WeakPolarHBondContact CB-OD2 3.29Å; S421-D594 PolarHBondContact N-OD2 2.9Å; S421-I651 PolarHBondContact OG-O 3.46Å; S421-Q653 WeakPolarHBondContact O-CA 3.48Å; S421-Q653 PolarHBondContact O-N 2.66Å; S421-C654 WeakPolarHBondContact CB-SG 3.39Å; S421-C654 PolarHBondContact O-N 3.37Å; S421-C654 PolarHBondContact OG-SG 3.46Å
422	C	93.1	Very high	93.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-115.4	155.8	179.9	-64.1	0	0	0	0	112	S374 F376 P420 D424 C658	S374-C422 VanDerWaalsContact OG-C 3.25Å; S374-C422 PolarHBondContact OG-O 2.96Å; F376-C422 CarbonylContact C-O 3.54Å; F376-C422 WeakPolarHBondContact CB-O 3.19Å; F376-C422 PolarHBondContact N-O 3.13Å; P420-C422 PolarHBondContact O-N 3.07Å; C422-D424 HydrophobicContact CB-CB 4.01Å; C422-C658 WeakPolarHBondContact CA-SG 3.36Å; C422-C658 HydrophobicContact CB-CB 3.87Å; C422-C658 WeakPolarHBondContact CB-SG 3.49Å; C422-C658 WeakPolarHBondContact SG-CA 3.3Å; C422-C658 WeakPolarHBondContact SG-CB 3.45Å; C422-C658 CovalentContact SG-SG 2.04Å; C422-C658 PolarHBondContact SG-SG 3.4Å
423	L	94.2	Very high	93.8	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.063	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	101.1	156.8	-177.9	82	0	0	0	106.5	F376 E378 M381 L388 L389 Q653 L661	F376-L423 WeakPolarHBondContact O-CA 3.35Å; E378-L423 HydrophobicContact CG-CD1 3.72Å; E378-L423 HydrophobicContact CG-CD2 4.34Å; E378-L423 HydrophobicContact CG-CG 3.6Å; M381-L423 HydrophobicContact CE-CD1 4.49Å; M381-L423 HydrophobicContact CG-CD1 4.45Å; L388-L423 HydrophobicContact CB-CD1 3.87Å; L388-L423 HydrophobicContact CB-CD2 3.95Å; L388-L423 HydrophobicContact CB-CG 4.49Å; L388-L423 HydrophobicContact CD2-CB 4.13Å; L388-L423 HydrophobicContact CD2-CD1 4.32Å; L388-L423 HydrophobicContact CD2-CD2 3.98Å; L388-L423 HydrophobicContact CD2-CG 4.37Å; L389-L423 HydrophobicContact CG-CD2 4.28Å; L423-Q653 HydrophobicContact CB-CG 3.63Å; L423-Q653 PolarHBondContact O-NE2 3.01Å; L423-L661 HydrophobicContact CB-CD2 4.22Å; L423-L661 HydrophobicContact CD2-CD2 3.68Å
424	D	94.8	Very high	94.4	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.027	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	161.3	-172	-145.4	-34.8	0	0	0	110.1	D377 E378 C422 I427 K430 K436	D377-D424 WeakPolarHBondContact CA-O 3.34Å; E378-D424 PolarHBondContact N-O 2.87Å; C422-D424 HydrophobicContact CB-CB 4.01Å; D424-I427 HydrophobicContact CB-CD1 4.45Å; D424-I427 HydrophobicContact CB-CG1 4.28Å; D424-K430 IonicContact OD1-NZ 2.91Å; D424-K430 PolarHBondContact OD1-NZ 2.03Å; D424-K436 VanDerWaalsContact OD2-CE 3.28Å; D424-K436 WeakPolarHBondContact OD2-CE 3.44Å; D424-K436 IonicContact OD2-NZ 3.33Å; D424-K436 PolarHBondContact OD2-NZ 3.14Å
425	H	97.1	Very high	94.5	Very high	26 Å²	26	24.8 Å²	24.8	12%	0.12	13%	0.126	C	C	.	.	S	Bend	trans	-155.3	139.8	175.1	-167.5	67.5	0	0	0	109.6	S269 S302 D377 E378 A379 K430	S269-H425 VanDerWaalsContact CB-NE2 3.29Å; S269-H425 WeakPolarHBondContact CB-NE2 3.38Å; S269-H425 PolarHBondContact OG-CE1 1.98Å; S269-H425 PolarHBondContact OG-NE2 2.98Å; S302-H425 VanDerWaalsContact CB-ND1 3.33Å; S302-H425 WeakPolarHBondContact CB-ND1 3.13Å; S302-H425 WeakPolarHBondContact OG-CA 3.14Å; S302-H425 PolarHBondContact OG-ND1 2.74Å; D377-H425 VanDerWaalsContact CG-ND1 3.3Å; D377-H425 IonicContact OD1-CE1 2.92Å; D377-H425 IonicContact OD1-ND1 2.78Å; D377-H425 PolarHBondContact OD1-ND1 2.85Å; D377-H425 IonicContact OD2-CE1 2.63Å; D377-H425 IonicContact OD2-CG 2.75Å; D377-H425 IonicContact OD2-ND1 3.89Å; D377-H425 PolarHBondContact OD2-ND1 2.93Å; E378-H425 HydrophobicContact CB-CB 4.12Å; A379-H425 VanDerWaalsContact CB-CE1 3.44Å; A379-H425 WeakPolarHBondContact CB-CE1 3.45Å; H425-K430 WeakPolarHBondContact O-CE 3.5Å; H425-K430 PolarHBondContact O-NZ 3.38Å
426	E	97.5	Very high	94.8	Very high	49 Å²	49	24.8 Å²	24.8	23%	0.229	13%	0.126	C	C	.	.			trans	56.1	59.4	-176.7	-47.5	-164.1	156.2	0	0	113.2	S269 D301 S302 L428 T429 K430	S269-E426 VanDerWaalsContact CB-OE1 3.31Å; S269-E426 WeakPolarHBondContact CB-OE1 3.34Å; D301-E426 VanDerWaalsContact OD2-CA 3.26Å; D301-E426 WeakPolarHBondContact OD2-CA 3.31Å; S302-E426 PolarHBondContact OG-N 2.96Å; E426-L428 VanDerWaalsContact C-N 3.34Å; E426-L428 PolarHBondContact O-N 2.71Å; E426-T429 PolarHBondContact O-OG1 2.9Å; E426-K430 WeakPolarHBondContact O-CG 3.38Å
427	I	97.7	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-61.5	-41.4	-175.9	-66.3	173.5	0	0	0	111.4	D301 V372 P420 D424 T429 K430 W433 K436 L443	D301-I427 PolarHBondContact OD1-N 3.18Å; D301-I427 PolarHBondContact OD2-N 2.86Å; V372-I427 HydrophobicContact CG1-CB 4.23Å; V372-I427 HydrophobicContact CG1-CD1 4.17Å; V372-I427 HydrophobicContact CG1-CG2 4.47Å; P420-I427 HydrophobicContact CG-CD1 3.9Å; D424-I427 HydrophobicContact CB-CD1 4.45Å; D424-I427 HydrophobicContact CB-CG1 4.28Å; I427-T429 VanDerWaalsContact C-N 3.28Å; I427-T429 PolarHBondContact O-N 3.45Å; I427-K430 PolarHBondContact O-N 3.22Å; I427-W433 HydrophobicContact CG2-CB 4.19Å; I427-W433 WeakPolarHBondContact O-CB 3.33Å; I427-K436 HydrophobicContact CG2-CG 3.8Å; I427-L443 HydrophobicContact CG2-CD2 3.69Å
428	L	98.1	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-70.5	-19.6	-169	-68.8	-178	0	0	0	114.5	G198 I199 I299 D301 V372 E426 W433 L443 I447	G198-L428 CarbonylContact C-O 3.54Å; G198-L428 WeakPolarHBondContact CA-O 3.16Å; I199-L428 HydrophobicContact CB-CB 4.37Å; I199-L428 HydrophobicContact CD1-CD1 4.13Å; I199-L428 HydrophobicContact CD1-CD2 4.45Å; I199-L428 HydrophobicContact CG2-CB 4.13Å; I199-L428 PolarHBondContact N-O 3.48Å; I299-L428 HydrophobicContact CG2-CD1 3.65Å; D301-L428 HydrophobicContact CB-CB 4.3Å; D301-L428 HydrophobicContact CB-CD1 3.65Å; D301-L428 HydrophobicContact CB-CG 3.82Å; D301-L428 WeakPolarHBondContact OD2-CB 3.34Å; D301-L428 PolarHBondContact OD2-N 3.39Å; V372-L428 HydrophobicContact CG2-CD1 4.32Å; V372-L428 HydrophobicContact CG2-CD2 4.32Å; V372-L428 HydrophobicContact CG2-CG 4.43Å; E426-L428 VanDerWaalsContact C-N 3.34Å; E426-L428 PolarHBondContact O-N 2.71Å; L428-W433 HydrophobicContact CD2-CD2 4.4Å; L428-W433 HydrophobicContact CD2-CE3 3.65Å; L428-W433 HydrophobicContact CD2-CZ3 3.97Å; L428-L443 HydrophobicContact CD2-CD2 4.01Å; L428-I447 HydrophobicContact CD2-CD1 4.19Å
429	T	96.2	Very high	93.6	Very high	46 Å²	46	32 Å²	32	28%	0.282	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-92.6	-12.4	179.6	55.8	0	0	0	0	112.4	F161 E426 I427	F161-T429 HydrophobicContact CE1-CG2 3.84Å; F161-T429 HydrophobicContact CE2-CG2 4.14Å; F161-T429 HydrophobicContact CZ-CG2 3.38Å; E426-T429 PolarHBondContact O-OG1 2.9Å; I427-T429 VanDerWaalsContact C-N 3.28Å; I427-T429 PolarHBondContact O-N 3.45Å
430	K	93.5	Very high	93.1	Very high	69 Å²	69	38 Å²	38	30%	0.3	22%	0.216	S	C	.	.	S	Bend	trans	-77.1	146.3	179.1	-64.7	179.4	-176.4	-177.2	0	111.5	D424 H425 E426 I427 N432 W433	D424-K430 IonicContact OD1-NZ 2.91Å; D424-K430 PolarHBondContact OD1-NZ 2.03Å; H425-K430 WeakPolarHBondContact O-CE 3.5Å; H425-K430 PolarHBondContact O-NZ 3.38Å; E426-K430 WeakPolarHBondContact O-CG 3.38Å; I427-K430 PolarHBondContact O-N 3.22Å; K430-N432 WeakPolarHBondContact CB-OD1 3.46Å; K430-N432 PolarHBondContact O-N 2.94Å; K430-W433 WeakPolarHBondContact O-CB 3.18Å; K430-W433 PolarHBondContact O-N 3.44Å
431	N	85.7	Confident	92.8	Very high	124 Å²	124	40 Å²	40	66%	0.663	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.9	-179.6	-68	-21.9	0	0	0	113.5
432	N	88.2	Confident	92.9	Very high	60 Å²	60	40.6 Å²	40.6	32%	0.321	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	10	-179.4	67.2	-25.3	0	0	0	113.9	K430 V434 H435	K430-N432 WeakPolarHBondContact CB-OD1 3.46Å; K430-N432 PolarHBondContact O-N 2.94Å; N432-V434 PolarHBondContact O-N 3.41Å; N432-H435 WeakPolarHBondContact O-CB 3.16Å; N432-H435 PolarHBondContact O-N 3.33Å
433	W	95.5	Very high	93.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33.2	-179.7	81.7	-76.6	0	0	0	112.8	G198 I199 A206 Y210 I427 L428 K430 H435 K436 L443 V444 I447	G198-W433 VanDerWaalsContact C-NE1 3.3Å; I199-W433 HydrophobicContact CB-CZ2 4.38Å; I199-W433 HydrophobicContact CG1-CH2 4.36Å; I199-W433 HydrophobicContact CG1-CZ2 4.42Å; A206-W433 PolarHBondContact O-NE1 3.46Å; Y210-W433 HydrophobicContact CE2-CH2 4.49Å; I427-W433 HydrophobicContact CG2-CB 4.19Å; I427-W433 WeakPolarHBondContact O-CB 3.33Å; L428-W433 HydrophobicContact CD2-CD2 4.4Å; L428-W433 HydrophobicContact CD2-CE3 3.65Å; L428-W433 HydrophobicContact CD2-CZ3 3.97Å; K430-W433 WeakPolarHBondContact O-CB 3.18Å; K430-W433 PolarHBondContact O-N 3.44Å; W433-H435 PolarHBondContact O-N 2.85Å; W433-K436 WeakPolarHBondContact O-CB 3.31Å; W433-K436 PolarHBondContact O-N 2.83Å; W433-K436 VanDerWaalsContact O-N 3.13Å; W433-L443 HydrophobicContact CE3-CD2 3.91Å; W433-L443 HydrophobicContact CE3-CG 4.13Å; W433-L443 HydrophobicContact CZ3-CG 4.34Å; W433-V444 HydrophobicContact CE3-CG2 4.34Å; W433-V444 HydrophobicContact CH2-CG2 3.9Å; W433-V444 HydrophobicContact CZ2-CG2 4.44Å; W433-V444 HydrophobicContact CZ3-CG2 3.83Å; W433-I447 HydrophobicContact CZ3-CD1 4.32Å
434	V	95.3	Very high	93.3	Very high	26 Å²	26	40.6 Å²	40.6	16%	0.158	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22.2	176.4	-64.6	0	0	0	0	113.5	A206 P208 N432 V444	A206-V434 WeakPolarHBondContact O-CG1 3.42Å; P208-V434 HydrophobicContact CG-CG1 4.43Å; N432-V434 PolarHBondContact O-N 3.41Å; V434-V444 HydrophobicContact CB-CG2 4.15Å; V434-V444 HydrophobicContact CG1-CG2 4Å
435	H	93.9	Very high	93.3	Very high	103 Å²	103	44.5 Å²	44.5	48%	0.477	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-90.6	-4.7	179.5	-57	-53.8	0	0	0	113.1	N432 W433 M437 T657	N432-H435 WeakPolarHBondContact O-CB 3.16Å; N432-H435 PolarHBondContact O-N 3.33Å; W433-H435 PolarHBondContact O-N 2.85Å; H435-M437 PolarHBondContact O-N 3.08Å; H435-T657 WeakPolarHBondContact O-CB 3.42Å; H435-T657 WeakPolarHBondContact O-CG2 3.07Å
436	K	94.6	Very high	93.3	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	25%	0.246	C	C	.	.			trans	-69.9	126.7	178	-66.2	-63.4	-169.9	175.6	0	110.6	F418 D424 I427 W433 S442 L443 T657	F418-K436 HydrophobicContact CE1-CB 4.11Å; F418-K436 HydrophobicContact CZ-CB 4.28Å; D424-K436 VanDerWaalsContact OD2-CE 3.28Å; D424-K436 WeakPolarHBondContact OD2-CE 3.44Å; D424-K436 IonicContact OD2-NZ 3.33Å; D424-K436 PolarHBondContact OD2-NZ 3.14Å; I427-K436 HydrophobicContact CG2-CG 3.8Å; W433-K436 WeakPolarHBondContact O-CB 3.31Å; W433-K436 PolarHBondContact O-N 2.83Å; W433-K436 VanDerWaalsContact O-N 3.13Å; K436-S442 WeakPolarHBondContact O-CA 3.28Å; K436-L443 HydrophobicContact CB-CB 4.03Å; K436-L443 HydrophobicContact CB-CD2 4.19Å; K436-L443 PolarHBondContact O-N 3.2Å; K436-T657 WeakPolarHBondContact CD-O 3.44Å; K436-T657 PolarHBondContact NZ-O 3.42Å; K436-T657 VanDerWaalsContact NZ-O 3.1Å
437	M	92.4	Very high	93.3	Very high	67 Å²	67	40.9 Å²	40.9	33%	0.33	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.9	-179.9	-53.5	-174.5	62.4	0	0	111.5	H435 I441 N655 T657	H435-M437 PolarHBondContact O-N 3.08Å; M437-I441 CarbonylContact C-O 3.58Å; M437-I441 VanDerWaalsContact CA-O 3.31Å; M437-I441 WeakPolarHBondContact CA-O 3.39Å; M437-N655 PolarHBondContact O-ND2 3.07Å; M437-N655 PolarHBondContact O-OD1 3.15Å; M437-T657 HydrophobicContact CB-CG2 3.85Å; M437-T657 HydrophobicContact CG-CG2 4.21Å; M437-T657 PolarHBondContact N-OG1 3.05Å; M437-T657 VanDerWaalsContact N-OG1 3.07Å; M437-T657 PolarHBondContact O-OG1 2.04Å
438	I	89.5	Confident	93.2	Very high	15 Å²	15	45.9 Å²	45.9	8%	0.077	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.1	166.6	-60.6	164.6	0	0	0	106.5	F418 P420 T440 I441 V592 D594	F418-I438 HydrophobicContact CD1-CD1 4.23Å; F418-I438 HydrophobicContact CD2-CD1 4.06Å; F418-I438 HydrophobicContact CE1-CD1 4.04Å; F418-I438 HydrophobicContact CE1-CG1 4.21Å; F418-I438 HydrophobicContact CE2-CB 4.38Å; F418-I438 HydrophobicContact CE2-CD1 3.87Å; F418-I438 HydrophobicContact CE2-CG1 3.95Å; F418-I438 HydrophobicContact CG-CD1 4.24Å; F418-I438 HydrophobicContact CZ-CB 4.5Å; F418-I438 HydrophobicContact CZ-CD1 3.86Å; F418-I438 HydrophobicContact CZ-CG1 3.72Å; P420-I438 HydrophobicContact CB-CD1 4.36Å; P420-I438 HydrophobicContact CB-CG1 4.26Å; I438-T440 PolarHBondContact O-N 3.42Å; I438-I441 PolarHBondContact N-O 2.7Å; I438-I441 PolarHBondContact O-N 3.1Å; I438-V592 HydrophobicContact CB-CG1 3.65Å; I438-V592 HydrophobicContact CD1-CB 4.32Å; I438-V592 HydrophobicContact CD1-CG1 3.89Å; I438-V592 HydrophobicContact CG1-CG1 4.39Å; I438-V592 HydrophobicContact CG2-CG1 3.54Å; I438-D594 HydrophobicContact CD1-CB 4.05Å; I438-D594 HydrophobicContact CG1-CB 4.08Å; I438-D594 HydrophobicContact CG2-CB 3.97Å
439	G	84.2	Confident	93.1	Very high	70 Å²	70	47.3 Å²	47.3	72%	0.722	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	-123.4	-167.2	0	0	0	0	0	110.8
440	T	85.9	Confident	93.2	Very high	124 Å²	124	45.1 Å²	45.1	76%	0.761	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0	179.5	58.9	0	0	0	0	113.8	I438	I438-T440 PolarHBondContact O-N 3.42Å
441	I	89.4	Confident	93.2	Very high	43 Å²	43	42.8 Å²	42.8	22%	0.221	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115	-175	-56.8	171.7	0	0	0	108.8	M437 I438 A446 S588 M589 V592	M437-I441 CarbonylContact C-O 3.58Å; M437-I441 VanDerWaalsContact CA-O 3.31Å; M437-I441 WeakPolarHBondContact CA-O 3.39Å; I438-I441 PolarHBondContact N-O 2.7Å; I438-I441 PolarHBondContact O-N 3.1Å; I441-A446 HydrophobicContact CG2-CB 3.9Å; I441-S588 WeakPolarHBondContact CD1-O 3.33Å; I441-M589 WeakPolarHBondContact CG2-O 3.45Å; I441-V592 HydrophobicContact CB-CG2 4.37Å; I441-V592 HydrophobicContact CD1-CG1 4.44Å; I441-V592 HydrophobicContact CD1-CG2 3.59Å; I441-V592 HydrophobicContact CG2-CG2 4.06Å
442	S	95.1	Very high	93.7	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	151.1	172	70.3	0	0	0	0	111.8	K436 V444 N445 A446	K436-S442 WeakPolarHBondContact O-CA 3.28Å; S442-V444 PolarHBondContact O-N 3.26Å; S442-N445 PolarHBondContact O-N 2.83Å; S442-N445 VanDerWaalsContact O-N 3.11Å; S442-N445 WeakPolarHBondContact OG-CB 3.41Å; S442-N445 VanDerWaalsContact OG-CG 3.26Å; S442-N445 PolarHBondContact OG-N 3.13Å; S442-N445 VanDerWaalsContact OG-N 3.17Å; S442-N445 PolarHBondContact OG-ND2 2.6Å; S442-A446 WeakPolarHBondContact O-CB 3.33Å; S442-A446 PolarHBondContact O-N 3.17Å
443	L	97.2	Very high	93.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.8	-42.7	174.7	173.5	54.9	0	0	0	111.5	V372 F418 I427 L428 W433 K436 N445 A446 I447	V372-L443 HydrophobicContact CG1-CD1 4.09Å; V372-L443 HydrophobicContact CG1-CD2 4.13Å; V372-L443 HydrophobicContact CG2-CD1 3.73Å; F418-L443 HydrophobicContact CB-CD1 3.67Å; F418-L443 HydrophobicContact CD1-CB 4.06Å; F418-L443 HydrophobicContact CD1-CD1 3.6Å; F418-L443 HydrophobicContact CD1-CD2 4.41Å; F418-L443 HydrophobicContact CD1-CG 4.23Å; F418-L443 HydrophobicContact CD2-CB 4.22Å; F418-L443 HydrophobicContact CD2-CD1 4.14Å; F418-L443 HydrophobicContact CE1-CB 3.84Å; F418-L443 HydrophobicContact CE1-CD1 4.26Å; F418-L443 HydrophobicContact CE1-CD2 4.48Å; F418-L443 HydrophobicContact CE1-CG 4.42Å; F418-L443 HydrophobicContact CE2-CB 3.99Å; F418-L443 HydrophobicContact CG-CB 4.24Å; F418-L443 HydrophobicContact CG-CD1 3.53Å; F418-L443 HydrophobicContact CG-CG 4.43Å; F418-L443 HydrophobicContact CZ-CB 3.79Å; I427-L443 HydrophobicContact CG2-CD2 3.69Å; L428-L443 HydrophobicContact CD2-CD2 4.01Å; W433-L443 HydrophobicContact CE3-CD2 3.91Å; W433-L443 HydrophobicContact CE3-CG 4.13Å; W433-L443 HydrophobicContact CZ3-CG 4.34Å; K436-L443 HydrophobicContact CB-CB 4.03Å; K436-L443 HydrophobicContact CB-CD2 4.19Å; K436-L443 PolarHBondContact O-N 3.2Å; L443-N445 PolarHBondContact O-N 3.25Å; L443-A446 PolarHBondContact O-N 3.43Å; L443-I447 HydrophobicContact CD1-CD1 3.63Å; L443-I447 HydrophobicContact CD1-CG1 3.94Å; L443-I447 HydrophobicContact CG-CD1 4.09Å; L443-I447 WeakPolarHBondContact O-CG1 3.4Å; L443-I447 PolarHBondContact O-N 2.94Å
444	V	97.4	Very high	93.8	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-48.9	175.5	171	0	0	0	0	111.5	P208 N209 W433 V434 S442 K448	P208-V444 HydrophobicContact CB-CG1 4.43Å; P208-V444 HydrophobicContact CG-CB 4.4Å; P208-V444 HydrophobicContact CG-CG1 3.48Å; P208-V444 VanDerWaalsContact CG-CG1 3.48Å; P208-V444 HydrophobicContact CG-CG2 4Å; N209-V444 PolarHBondContact ND2-O 3.2Å; W433-V444 HydrophobicContact CE3-CG2 4.34Å; W433-V444 HydrophobicContact CH2-CG2 3.9Å; W433-V444 HydrophobicContact CZ2-CG2 4.44Å; W433-V444 HydrophobicContact CZ3-CG2 3.83Å; V434-V444 HydrophobicContact CB-CG2 4.15Å; V434-V444 HydrophobicContact CG1-CG2 4Å; S442-V444 PolarHBondContact O-N 3.26Å; V444-K448 VanDerWaalsContact O-CB 3.29Å; V444-K448 WeakPolarHBondContact O-CB 3.22Å; V444-K448 PolarHBondContact O-N 3.3Å
445	N	96	Very high	93.7	Very high	87 Å²	87	40 Å²	40	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-72.9	-34.5	-178.1	-73.7	-17.4	0	0	0	112.2	S442 L443 K448 S449	S442-N445 PolarHBondContact O-N 2.83Å; S442-N445 VanDerWaalsContact O-N 3.11Å; S442-N445 WeakPolarHBondContact OG-CB 3.41Å; S442-N445 VanDerWaalsContact OG-CG 3.26Å; S442-N445 PolarHBondContact OG-N 3.13Å; S442-N445 VanDerWaalsContact OG-N 3.17Å; S442-N445 PolarHBondContact OG-ND2 2.6Å; L443-N445 PolarHBondContact O-N 3.25Å; N445-K448 PolarHBondContact O-N 2.88Å; N445-S449 VanDerWaalsContact O-CB 3.3Å; N445-S449 WeakPolarHBondContact O-CB 3.49Å; N445-S449 PolarHBondContact O-N 3.17Å; N445-S449 PolarHBondContact O-OG 2.79Å
446	A	96.3	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-51	176.9	0	0	0	0	0	111	Y370 F418 I441 S442 L443 K448 S449 W450 M589 Y590	Y370-A446 VanDerWaalsContact OH-CB 3.29Å; Y370-A446 WeakPolarHBondContact OH-CB 3.24Å; F418-A446 HydrophobicContact CD2-CB 3.96Å; I441-A446 HydrophobicContact CG2-CB 3.9Å; S442-A446 WeakPolarHBondContact O-CB 3.33Å; S442-A446 PolarHBondContact O-N 3.17Å; L443-A446 PolarHBondContact O-N 3.43Å; A446-K448 PolarHBondContact O-N 2.76Å; A446-S449 PolarHBondContact O-N 3.29Å; A446-W450 PolarHBondContact O-N 3.47Å; A446-M589 WeakPolarHBondContact CA-O 3.44Å; A446-Y590 WeakPolarHBondContact O-CB 3.4Å
447	I	97.2	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-45.5	176.7	-61	167.9	0	0	0	110.3	Y210 I299 Y370 V372 L428 W433 L443 S449 W450 D451	Y210-I447 WeakPolarHBondContact OH-CG2 3.4Å; I299-I447 HydrophobicContact CD1-CG2 3.91Å; Y370-I447 HydrophobicContact CD1-CG1 3.79Å; Y370-I447 HydrophobicContact CE1-CD1 4.46Å; Y370-I447 HydrophobicContact CE1-CG1 3.49Å; Y370-I447 VanDerWaalsContact CE1-CG1 3.49Å; V372-I447 HydrophobicContact CG2-CD1 4.3Å; L428-I447 HydrophobicContact CD2-CD1 4.19Å; W433-I447 HydrophobicContact CZ3-CD1 4.32Å; L443-I447 HydrophobicContact CD1-CD1 3.63Å; L443-I447 HydrophobicContact CD1-CG1 3.94Å; L443-I447 HydrophobicContact CG-CD1 4.09Å; L443-I447 WeakPolarHBondContact O-CG1 3.4Å; L443-I447 PolarHBondContact O-N 2.94Å; I447-S449 VanDerWaalsContact C-N 3.29Å; I447-S449 PolarHBondContact O-N 2.9Å; I447-W450 PolarHBondContact O-N 2.73Å; I447-D451 VanDerWaalsContact O-CB 3.24Å; I447-D451 WeakPolarHBondContact O-CB 3.46Å; I447-D451 PolarHBondContact O-N 2.63Å
448	K	96.5	Very high	93.4	Very high	104 Å²	104	41.5 Å²	41.5	45%	0.452	23%	0.228	S	C	.	.	H	α-helix	trans	-57.6	-41.8	178.2	-175.4	174.4	-176.6	171.9	0	112.2	V444 N445 A446 D451 I452	V444-K448 VanDerWaalsContact O-CB 3.29Å; V444-K448 WeakPolarHBondContact O-CB 3.22Å; V444-K448 PolarHBondContact O-N 3.3Å; N445-K448 PolarHBondContact O-N 2.88Å; A446-K448 PolarHBondContact O-N 2.76Å; K448-D451 PolarHBondContact O-N 3.09Å; K448-I452 HydrophobicContact CG-CD1 4.01Å; K448-I452 VanDerWaalsContact O-CG1 3.28Å; K448-I452 WeakPolarHBondContact O-CG1 3.34Å; K448-I452 PolarHBondContact O-N 2.77Å
449	S	96.1	Very high	93.5	Very high	30 Å²	30	44.5 Å²	44.5	21%	0.21	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-42.8	179.4	-60.5	0	0	0	0	111.8	N445 A446 I447 D451 E453	N445-S449 VanDerWaalsContact O-CB 3.3Å; N445-S449 WeakPolarHBondContact O-CB 3.49Å; N445-S449 PolarHBondContact O-N 3.17Å; N445-S449 PolarHBondContact O-OG 2.79Å; A446-S449 PolarHBondContact O-N 3.29Å; I447-S449 VanDerWaalsContact C-N 3.29Å; I447-S449 PolarHBondContact O-N 2.9Å; S449-D451 VanDerWaalsContact C-N 3.32Å; S449-E453 PolarHBondContact O-N 2.98Å; S449-E453 VanDerWaalsContact O-N 3.16Å
450	W	96.6	Very high	93.8	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-43.4	173	179.9	79.1	0	0	0	111.9	P368 Y370 A446 I447 E453 L454 F581 Y590	P368-W450 HydrophobicContact CB-CH2 4.43Å; P368-W450 HydrophobicContact CB-CZ2 3.99Å; Y370-W450 HydrophobicContact CD2-CB 3.69Å; Y370-W450 AromaticContact CD2-CD1 3.78Å; Y370-W450 AromaticContact CD2-CD2 3.55Å; Y370-W450 HydrophobicContact CD2-CD2 3.55Å; Y370-W450 AromaticContact CD2-CE2 3.99Å; Y370-W450 HydrophobicContact CD2-CE3 4.04Å; Y370-W450 AromaticContact CD2-CG 3.39Å; Y370-W450 HydrophobicContact CD2-CG 3.39Å; Y370-W450 HydrophobicContact CE2-CB 3.73Å; Y370-W450 HydrophobicContact CE2-CD2 4.47Å; Y370-W450 AromaticContact CE2-CG 3.9Å; Y370-W450 HydrophobicContact CE2-CG 3.9Å; Y370-W450 HydrophobicContact CG-CD2 4.16Å; Y370-W450 HydrophobicContact CG-CE3 4.24Å; Y370-W450 HydrophobicContact CG-CG 4.41Å; A446-W450 PolarHBondContact O-N 3.47Å; I447-W450 PolarHBondContact O-N 2.73Å; W450-E453 PolarHBondContact O-N 3.09Å; W450-L454 HydrophobicContact CH2-CD2 4.16Å; W450-L454 HydrophobicContact CZ3-CD2 4.14Å; W450-L454 WeakPolarHBondContact O-CB 3Å; W450-L454 PolarHBondContact O-N 2.96Å; W450-F581 AromaticContact NE1-CG 3.95Å; W450-Y590 HydrophobicContact CB-CD1 4.22Å; W450-Y590 HydrophobicContact CB-CD2 4.22Å; W450-Y590 HydrophobicContact CB-CG 3.82Å; W450-Y590 AromaticContact CD1-CD2 3.8Å; W450-Y590 HydrophobicContact CG-CD2 4.43Å; W450-Y590 HydrophobicContact CG-CG 4.49Å
451	D	95.2	Very high	93.8	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-40.9	-177.1	-162	48.2	0	0	0	112.3	K262 I447 K448 S449 L454 E455	K262-D451 WeakPolarHBondContact CE-OD1 3.33Å; K262-D451 IonicContact NZ-OD1 3.95Å; K262-D451 PolarHBondContact NZ-OD1 3.5Å; K262-D451 IonicContact NZ-OD2 2.74Å; K262-D451 PolarHBondContact NZ-OD2 3.36Å; I447-D451 VanDerWaalsContact O-CB 3.24Å; I447-D451 WeakPolarHBondContact O-CB 3.46Å; I447-D451 PolarHBondContact O-N 2.63Å; K448-D451 PolarHBondContact O-N 3.09Å; S449-D451 VanDerWaalsContact C-N 3.32Å; D451-L454 WeakPolarHBondContact O-CB 3.31Å; D451-L454 PolarHBondContact O-N 2.77Å; D451-E455 WeakPolarHBondContact O-CG 3.4Å; D451-E455 PolarHBondContact O-N 2.77Å
452	I	94.5	Very high	93.6	Very high	76 Å²	76	47.3 Å²	47.3	39%	0.39	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-43.7	172.1	-73.1	166.6	0	0	0	110.9	K448 L454 E455 K456	K448-I452 HydrophobicContact CG-CD1 4.01Å; K448-I452 VanDerWaalsContact O-CG1 3.28Å; K448-I452 WeakPolarHBondContact O-CG1 3.34Å; K448-I452 PolarHBondContact O-N 2.77Å; I452-L454 VanDerWaalsContact C-N 3.35Å; I452-E455 PolarHBondContact O-N 3.41Å; I452-K456 WeakPolarHBondContact O-CG 3.38Å; I452-K456 PolarHBondContact O-N 2.68Å
453	E	93.3	Very high	93.1	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-39.8	179.8	-164.2	53.5	-139.8	0	0	111.6	S449 W450 E455 K456 H457 F581 Y590	S449-E453 PolarHBondContact O-N 2.98Å; S449-E453 VanDerWaalsContact O-N 3.16Å; W450-E453 PolarHBondContact O-N 3.09Å; E453-E455 PolarHBondContact O-N 2.84Å; E453-K456 PolarHBondContact O-N 3.47Å; E453-K456 WeakPolarHBondContact OE2-CD 3.31Å; E453-K456 IonicContact OE2-NZ 2.9Å; E453-K456 PolarHBondContact OE2-NZ 3.33Å; E453-H457 PolarHBondContact O-CD2 2.64Å; E453-H457 VanDerWaalsContact O-CD2 3.26Å; E453-H457 PolarHBondContact O-N 2.94Å; E453-H457 IonicContact OE1-CD2 3.57Å; E453-H457 IonicContact OE1-NE2 3.52Å; E453-F581 HydrophobicContact CG-CD1 4.3Å; E453-F581 HydrophobicContact CG-CE1 4.47Å; E453-Y590 HydrophobicContact CB-CE1 4.24Å; E453-Y590 HydrophobicContact CG-CE1 4.48Å
454	L	93.7	Very high	92.5	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-46.4	172.5	173.1	67	0	0	0	111.7	L295 S297 P368 W450 D451 I452 K456 H457 W458 F581	L295-L454 HydrophobicContact CD1-CD1 4.07Å; L295-L454 HydrophobicContact CD1-CD2 4.22Å; L295-L454 HydrophobicContact CD1-CG 4.07Å; L295-L454 HydrophobicContact CD2-CD2 4.34Å; L295-L454 HydrophobicContact CD2-CG 4.22Å; L295-L454 HydrophobicContact CG-CD2 4.47Å; S297-L454 VanDerWaalsContact CB-CD2 3.42Å; P368-L454 HydrophobicContact CB-CD1 4.1Å; P368-L454 HydrophobicContact CG-CD1 3.43Å; P368-L454 VanDerWaalsContact CG-CD1 3.43Å; P368-L454 HydrophobicContact CG-CD2 4.32Å; W450-L454 HydrophobicContact CH2-CD2 4.16Å; W450-L454 HydrophobicContact CZ3-CD2 4.14Å; W450-L454 WeakPolarHBondContact O-CB 3Å; W450-L454 PolarHBondContact O-N 2.96Å; D451-L454 WeakPolarHBondContact O-CB 3.31Å; D451-L454 PolarHBondContact O-N 2.77Å; I452-L454 VanDerWaalsContact C-N 3.35Å; L454-K456 PolarHBondContact O-N 3.12Å; L454-H457 PolarHBondContact O-N 3.15Å; L454-W458 WeakPolarHBondContact O-CB 3.29Å; L454-W458 PolarHBondContact O-N 3.06Å; L454-F581 HydrophobicContact CB-CE1 4.02Å; L454-F581 HydrophobicContact CB-CZ 4.09Å; L454-F581 HydrophobicContact CD1-CE1 4.38Å; L454-F581 HydrophobicContact CD1-CE2 4.45Å; L454-F581 HydrophobicContact CD1-CZ 3.61Å; L454-F581 HydrophobicContact CG-CZ 4.47Å
455	E	93.7	Very high	91.7	Very high	51 Å²	51	61.4 Å²	61.4	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-42.1	178.1	-76.5	-174.1	177.4	0	0	112.2	R157 K262 L295 D451 I452 E453 H457 W458 V459	R157-E455 IonicContact NE-OE1 3.6Å; R157-E455 IonicContact NH2-OE1 2.98Å; K262-E455 IonicContact NZ-OE1 3.97Å; K262-E455 PolarHBondContact NZ-OE1 3.17Å; L295-E455 HydrophobicContact CD2-CG 3.83Å; D451-E455 WeakPolarHBondContact O-CG 3.4Å; D451-E455 PolarHBondContact O-N 2.77Å; I452-E455 PolarHBondContact O-N 3.41Å; E453-E455 PolarHBondContact O-N 2.84Å; E455-H457 VanDerWaalsContact C-N 3.32Å; E455-H457 PolarHBondContact O-N 2.88Å; E455-W458 WeakPolarHBondContact O-CB 3.33Å; E455-W458 PolarHBondContact O-N 3.03Å; E455-V459 WeakPolarHBondContact O-CG2 3.5Å; E455-V459 PolarHBondContact O-N 3.15Å
456	K	92.1	Very high	90.9	Very high	102 Å²	102	61.7 Å²	61.7	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-58.7	-44.5	174.2	-68.9	174.9	-161.7	158.3	0	111.8	I452 E453 L454 W458 K460	I452-K456 WeakPolarHBondContact O-CG 3.38Å; I452-K456 PolarHBondContact O-N 2.68Å; E453-K456 PolarHBondContact O-N 3.47Å; E453-K456 WeakPolarHBondContact OE2-CD 3.31Å; E453-K456 IonicContact OE2-NZ 2.9Å; E453-K456 PolarHBondContact OE2-NZ 3.33Å; L454-K456 PolarHBondContact O-N 3.12Å; K456-W458 VanDerWaalsContact C-N 3.35Å; K456-K460 WeakPolarHBondContact O-CG 3.1Å; K456-K460 PolarHBondContact O-N 3.15Å
457	H	90.1	Very high	90.2	Very high	42 Å²	42	64.2 Å²	64.2	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-38.4	177.4	-85.7	-75.9	0	0	0	112.3	E453 L454 E455 Q461 I580	E453-H457 PolarHBondContact O-CD2 2.64Å; E453-H457 VanDerWaalsContact O-CD2 3.26Å; E453-H457 PolarHBondContact O-N 2.94Å; E453-H457 IonicContact OE1-CD2 3.57Å; E453-H457 IonicContact OE1-NE2 3.52Å; L454-H457 PolarHBondContact O-N 3.15Å; E455-H457 VanDerWaalsContact C-N 3.32Å; E455-H457 PolarHBondContact O-N 2.88Å; H457-Q461 WeakPolarHBondContact O-CG 3.4Å; H457-Q461 PolarHBondContact O-N 3.49Å; H457-Q461 VanDerWaalsContact O-N 3.13Å; H457-Q461 PolarHBondContact O-NE2 3.4Å; H457-I580 VanDerWaalsContact CE1-CG2 3.42Å; H457-I580 WeakPolarHBondContact CE1-CG2 3.29Å
458	W	92.1	Very high	89.4	Confident	59 Å²	59	69.6 Å²	69.6	22%	0.223	34%	0.336	C	S	.	.	H	α-helix	trans	-64.7	-47.4	176.2	174.5	-115.9	0	0	0	112.2	P293 L295 L454 E455 K456 K460 Q461 K462	P293-W458 HydrophobicContact CB-CH2 3.92Å; P293-W458 HydrophobicContact CB-CZ2 4.17Å; L295-W458 HydrophobicContact CB-CD2 4.03Å; L295-W458 HydrophobicContact CB-CG 3.99Å; L295-W458 HydrophobicContact CD1-CB 3.86Å; L295-W458 HydrophobicContact CD1-CD2 3.96Å; L295-W458 HydrophobicContact CD1-CE3 4.16Å; L295-W458 HydrophobicContact CD1-CG 3.84Å; L295-W458 HydrophobicContact CD2-CB 3.99Å; L295-W458 HydrophobicContact CD2-CG 4.02Å; L295-W458 HydrophobicContact CG-CB 4.41Å; L295-W458 HydrophobicContact CG-CD2 4.47Å; L295-W458 HydrophobicContact CG-CG 4.16Å; L454-W458 WeakPolarHBondContact O-CB 3.29Å; L454-W458 PolarHBondContact O-N 3.06Å; E455-W458 WeakPolarHBondContact O-CB 3.33Å; E455-W458 PolarHBondContact O-N 3.03Å; K456-W458 VanDerWaalsContact C-N 3.35Å; W458-K460 VanDerWaalsContact C-N 3.3Å; W458-K460 PolarHBondContact O-N 3.23Å; W458-Q461 PolarHBondContact O-N 2.81Å; W458-Q461 VanDerWaalsContact O-N 3.09Å; W458-K462 WeakPolarHBondContact O-CB 3.39Å; W458-K462 PolarHBondContact O-N 2.91Å
459	V	90.9	Very high	88.5	Confident	78 Å²	78	69.6 Å²	69.6	47%	0.473	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-42.5	178.3	171.1	0	0	0	0	111	E455 Q461 K462 L463	E455-V459 WeakPolarHBondContact O-CG2 3.5Å; E455-V459 PolarHBondContact O-N 3.15Å; V459-Q461 PolarHBondContact O-N 3.19Å; V459-K462 PolarHBondContact O-N 2.87Å; V459-L463 HydrophobicContact CG1-CD1 3.96Å; V459-L463 HydrophobicContact CG1-CG 4.42Å; V459-L463 WeakPolarHBondContact O-CB 3.03Å; V459-L463 WeakPolarHBondContact O-CG 3.39Å; V459-L463 PolarHBondContact O-N 3.03Å
460	K	89.6	Confident	87.9	Confident	131 Å²	131	73.9 Å²	73.9	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-60	-43.9	174.6	-71.6	171.9	-176.3	173.2	0	112.2	K456 W458 L464	K456-K460 WeakPolarHBondContact O-CG 3.1Å; K456-K460 PolarHBondContact O-N 3.15Å; W458-K460 VanDerWaalsContact C-N 3.3Å; W458-K460 PolarHBondContact O-N 3.23Å; K460-L464 WeakPolarHBondContact O-CB 3.3Å; K460-L464 PolarHBondContact O-N 3.02Å
461	Q	86.3	Confident	87	Confident	97 Å²	97	76.9 Å²	76.9	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-41.9	177.8	-73.6	176.3	59.4	0	0	112.1	H457 W458 V459 L464 Y465	H457-Q461 WeakPolarHBondContact O-CG 3.4Å; H457-Q461 PolarHBondContact O-N 3.49Å; H457-Q461 VanDerWaalsContact O-N 3.13Å; H457-Q461 PolarHBondContact O-NE2 3.4Å; W458-Q461 PolarHBondContact O-N 2.81Å; W458-Q461 VanDerWaalsContact O-N 3.09Å; V459-Q461 PolarHBondContact O-N 3.19Å; Q461-L464 PolarHBondContact O-N 3.2Å; Q461-Y465 WeakPolarHBondContact O-CB 3Å; Q461-Y465 PolarHBondContact O-N 3.38Å
462	K	84.9	Confident	86.3	Confident	67 Å²	67	81.5 Å²	81.5	29%	0.291	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-50.4	175.5	-171.4	173	179.3	179.6	0	110	W458 V459 L464 Y465 F466	W458-K462 WeakPolarHBondContact O-CB 3.39Å; W458-K462 PolarHBondContact O-N 2.91Å; V459-K462 PolarHBondContact O-N 2.87Å; K462-L464 VanDerWaalsContact C-N 3.33Å; K462-L464 PolarHBondContact O-N 2.98Å; K462-Y465 WeakPolarHBondContact O-CB 3.39Å; K462-Y465 PolarHBondContact O-N 3.32Å; K462-F466 HydrophobicContact CD-CE2 4.17Å; K462-F466 HydrophobicContact CG-CD2 3.65Å; K462-F466 HydrophobicContact CG-CE2 3.55Å; K462-F466 VanDerWaalsContact O-CD2 3.23Å; K462-F466 WeakPolarHBondContact O-CD2 3.28Å; K462-F466 PolarHBondContact O-N 3.37Å
463	L	85.3	Confident	85.4	Confident	103 Å²	103	82.4 Å²	82.4	54%	0.539	40%	0.403	S	S	.	.	H	α-helix	trans	-57.9	-43.3	176.6	-75.7	169.4	0	0	0	112.4	V459 F466 S467	V459-L463 HydrophobicContact CG1-CD1 3.96Å; V459-L463 HydrophobicContact CG1-CG 4.42Å; V459-L463 WeakPolarHBondContact O-CB 3.03Å; V459-L463 WeakPolarHBondContact O-CG 3.39Å; V459-L463 PolarHBondContact O-N 3.03Å; L463-F466 PolarHBondContact O-N 3.14Å; L463-S467 WeakPolarHBondContact O-CB 3.48Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 2.94Å
464	L	84.9	Confident	84.3	Confident	109 Å²	109	85.2 Å²	85.2	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-62.8	-45.9	176.2	-178.4	63.3	0	0	0	111.5	K460 Q461 K462 S467 I468	K460-L464 WeakPolarHBondContact O-CB 3.3Å; K460-L464 PolarHBondContact O-N 3.02Å; Q461-L464 PolarHBondContact O-N 3.2Å; K462-L464 VanDerWaalsContact C-N 3.33Å; K462-L464 PolarHBondContact O-N 2.98Å; L464-S467 PolarHBondContact O-N 2.74Å; L464-I468 HydrophobicContact CD1-CD1 4.01Å; L464-I468 HydrophobicContact CD1-CG1 4.48Å; L464-I468 HydrophobicContact CG-CD1 3.97Å; L464-I468 VanDerWaalsContact O-CG1 3.31Å; L464-I468 WeakPolarHBondContact O-CG1 3.39Å; L464-I468 PolarHBondContact O-N 2.98Å
465	Y	80.7	Confident	83.2	Confident	108 Å²	108	89 Å²	89	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-59.6	-48.2	176.3	178.4	-90.6	0	0	0	111.7	Q461 K462 S467 I468 H469 Y470	Q461-Y465 WeakPolarHBondContact O-CB 3Å; Q461-Y465 PolarHBondContact O-N 3.38Å; K462-Y465 WeakPolarHBondContact O-CB 3.39Å; K462-Y465 PolarHBondContact O-N 3.32Å; Y465-S467 VanDerWaalsContact C-N 3.3Å; Y465-S467 PolarHBondContact O-N 3.17Å; Y465-I468 PolarHBondContact O-N 3.28Å; Y465-H469 AromaticContact CD2-CD2 3.39Å; Y465-H469 WeakPolarHBondContact CD2-CD2 3.35Å; Y465-H469 AromaticContact CD2-NE2 3.72Å; Y465-H469 HydrophobicContact CE1-CB 4.42Å; Y465-H469 AromaticContact CE1-CD2 4Å; Y465-H469 AromaticContact CE2-CD2 3.18Å; Y465-H469 WeakPolarHBondContact CE2-CD2 3.23Å; Y465-H469 AromaticContact CE2-NE2 3.32Å; Y465-H469 VanDerWaalsContact CE2-NE2 3.32Å; Y465-H469 WeakPolarHBondContact CE2-NE2 3.4Å; Y465-H469 AromaticContact CG-CD2 3.89Å; Y465-H469 AromaticContact CZ-CD2 3.5Å; Y465-H469 AromaticContact CZ-CG 3.97Å; Y465-H469 AromaticContact CZ-NE2 3.94Å; Y465-H469 PolarHBondContact O-CD2 2.98Å; Y465-H469 PolarHBondContact O-N 3.33Å; Y465-Y470 HydrophobicContact CE1-CE2 4.47Å
466	F	79	Confident	82.4	Confident	94 Å²	94	93.6 Å²	93.6	41%	0.412	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-37.4	176.7	-86.2	-76.8	0	0	0	112.3	K462 L463 I468 Y470	K462-F466 HydrophobicContact CD-CE2 4.17Å; K462-F466 HydrophobicContact CG-CD2 3.65Å; K462-F466 HydrophobicContact CG-CE2 3.55Å; K462-F466 VanDerWaalsContact O-CD2 3.23Å; K462-F466 WeakPolarHBondContact O-CD2 3.28Å; K462-F466 PolarHBondContact O-N 3.37Å; L463-F466 PolarHBondContact O-N 3.14Å; F466-I468 VanDerWaalsContact C-N 3.31Å; F466-I468 PolarHBondContact O-N 3.04Å; F466-Y470 AromaticContact CD1-CD2 3.58Å; F466-Y470 HydrophobicContact CD1-CD2 3.58Å; F466-Y470 HydrophobicContact CD1-CE2 4.08Å; F466-Y470 HydrophobicContact CD1-CG 4.4Å; F466-Y470 HydrophobicContact CE1-CD2 4.03Å; F466-Y470 HydrophobicContact CE1-CE2 4.09Å; F466-Y470 CarbonylContact O-C 3.52Å; F466-Y470 WeakPolarHBondContact O-CA 3.42Å; F466-Y470 WeakPolarHBondContact O-CB 3.22Å; F466-Y470 PolarHBondContact O-N 2.92Å
467	S	81.3	Confident	81.5	Confident	53 Å²	53	91.1 Å²	91.1	37%	0.371	46%	0.456	S	S	.	.	H	α-helix	trans	-65.7	-34.5	177.6	-56.6	0	0	0	0	112.7	L463 L464 Y465 L474	L463-S467 WeakPolarHBondContact O-CB 3.48Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 2.94Å; L464-S467 PolarHBondContact O-N 2.74Å; Y465-S467 VanDerWaalsContact C-N 3.3Å; Y465-S467 PolarHBondContact O-N 3.17Å; S467-L474 WeakPolarHBondContact OG-CD1 3.03Å
468	I	81.2	Confident	80.6	Confident	112 Å²	112	95.6 Å²	95.6	57%	0.574	48%	0.477	S	S	*	.	H	α-helix	trans	-79.4	-44.2	179.1	-66.8	166.7	0	0	0	111.4	L464 Y465 F466	L464-I468 HydrophobicContact CD1-CD1 4.01Å; L464-I468 HydrophobicContact CD1-CG1 4.48Å; L464-I468 HydrophobicContact CG-CD1 3.97Å; L464-I468 VanDerWaalsContact O-CG1 3.31Å; L464-I468 WeakPolarHBondContact O-CG1 3.39Å; L464-I468 PolarHBondContact O-N 2.98Å; Y465-I468 PolarHBondContact O-N 3.28Å; F466-I468 VanDerWaalsContact C-N 3.31Å; F466-I468 PolarHBondContact O-N 3.04Å
469	H	78.1	Confident	79.8	Confident	105 Å²	105	98.3 Å²	98.3	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-90.5	-20.9	-172.5	-72.5	-78.3	0	0	0	114.3	Y465 P471	Y465-H469 AromaticContact CD2-CD2 3.39Å; Y465-H469 WeakPolarHBondContact CD2-CD2 3.35Å; Y465-H469 AromaticContact CD2-NE2 3.72Å; Y465-H469 HydrophobicContact CE1-CB 4.42Å; Y465-H469 AromaticContact CE1-CD2 4Å; Y465-H469 AromaticContact CE2-CD2 3.18Å; Y465-H469 WeakPolarHBondContact CE2-CD2 3.23Å; Y465-H469 AromaticContact CE2-NE2 3.32Å; Y465-H469 VanDerWaalsContact CE2-NE2 3.32Å; Y465-H469 WeakPolarHBondContact CE2-NE2 3.4Å; Y465-H469 AromaticContact CG-CD2 3.89Å; Y465-H469 AromaticContact CZ-CD2 3.5Å; Y465-H469 AromaticContact CZ-CG 3.97Å; Y465-H469 AromaticContact CZ-NE2 3.94Å; Y465-H469 PolarHBondContact O-CD2 2.98Å; Y465-H469 PolarHBondContact O-N 3.33Å; H469-P471 VanDerWaalsContact C-CD 3.49Å
470	Y	81.9	Confident	78.5	Confident	120 Å²	120	102.5 Å²	102.5	47%	0.471	50%	0.499	S	S	.	.			trans	-134.6	52	-178.3	-55.5	-83.6	0	0	0	112.8	Y465 F466 N472 V473	Y465-Y470 HydrophobicContact CE1-CE2 4.47Å; F466-Y470 AromaticContact CD1-CD2 3.58Å; F466-Y470 HydrophobicContact CD1-CD2 3.58Å; F466-Y470 HydrophobicContact CD1-CE2 4.08Å; F466-Y470 HydrophobicContact CD1-CG 4.4Å; F466-Y470 HydrophobicContact CE1-CD2 4.03Å; F466-Y470 HydrophobicContact CE1-CE2 4.09Å; F466-Y470 CarbonylContact O-C 3.52Å; F466-Y470 WeakPolarHBondContact O-CA 3.42Å; F466-Y470 WeakPolarHBondContact O-CB 3.22Å; F466-Y470 PolarHBondContact O-N 2.92Å; Y470-N472 PolarHBondContact O-N 3.2Å; Y470-V473 PolarHBondContact O-N 2.82Å; Y470-V473 VanDerWaalsContact O-N 3.12Å
471	P	78.1	Confident	77.6	Confident	63 Å²	63	100.6 Å²	100.6	41%	0.409	50%	0.495	S	S	.	.	H	α-helix	trans	-59.2	-35.2	-175.8	24.8	-34.4	0	0	0	112.7	H469 V473 L474 L475	H469-P471 VanDerWaalsContact C-CD 3.49Å; P471-V473 VanDerWaalsContact C-N 3.28Å; P471-V473 PolarHBondContact O-N 3.5Å; P471-L474 PolarHBondContact O-N 2.79Å; P471-L475 PolarHBondContact O-N 2.9Å
472	N	81.1	Confident	76.7	Confident	116 Å²	116	98.4 Å²	98.4	62%	0.62	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-28.6	-179.2	-65.6	-14.3	0	0	0	113.3	Y470 K476	Y470-N472 PolarHBondContact O-N 3.2Å; N472-K476 WeakPolarHBondContact O-CB 3.2Å; N472-K476 WeakPolarHBondContact O-CG 3.38Å; N472-K476 PolarHBondContact O-N 3.37Å
473	V	76.3	Confident	75.8	Confident	96 Å²	96	102 Å²	102	58%	0.582	51%	0.51	S	S	*	.	H	α-helix	trans	-71	-42.1	178.1	178	0	0	0	0	110.2	Y470 P471 K476 A477	Y470-V473 PolarHBondContact O-N 2.82Å; Y470-V473 VanDerWaalsContact O-N 3.12Å; P471-V473 VanDerWaalsContact C-N 3.28Å; P471-V473 PolarHBondContact O-N 3.5Å; V473-K476 PolarHBondContact O-N 3.46Å; V473-A477 WeakPolarHBondContact O-CB 3.42Å; V473-A477 PolarHBondContact O-N 3.06Å
474	L	68.3	Low	74.7	Confident	76 Å²	76	100.5 Å²	100.5	40%	0.398	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-40.9	174.5	-74.1	163	0	0	0	111.5	S467 P471 A477 Q478	S467-L474 WeakPolarHBondContact OG-CD1 3.03Å; P471-L474 PolarHBondContact O-N 2.79Å; L474-A477 PolarHBondContact O-N 2.92Å; L474-Q478 WeakPolarHBondContact O-CG 3.43Å; L474-Q478 PolarHBondContact O-N 3.46Å
475	L	71.9	Confident	73.2	Confident	87 Å²	87	100.7 Å²	100.7	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-43.9	175.6	-117	142.5	0	0	0	111.9	P471 Q478 Q479	P471-L475 PolarHBondContact O-N 2.9Å; L475-Q478 PolarHBondContact O-N 3.1Å; L475-Q479 WeakPolarHBondContact O-CB 3.43Å; L475-Q479 VanDerWaalsContact O-CG 3.31Å; L475-Q479 WeakPolarHBondContact O-CG 3.32Å; L475-Q479 PolarHBondContact O-N 3.2Å
476	K	75.6	Confident	71.6	Confident	148 Å²	148	101.8 Å²	101.8	64%	0.643	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-40.6	174.5	-77.8	-178.1	179.3	-176.2	0	112.6	N472 V473 Q478 Q479 W480	N472-K476 WeakPolarHBondContact O-CB 3.2Å; N472-K476 WeakPolarHBondContact O-CG 3.38Å; N472-K476 PolarHBondContact O-N 3.37Å; V473-K476 PolarHBondContact O-N 3.46Å; K476-Q478 VanDerWaalsContact C-N 3.33Å; K476-Q478 PolarHBondContact O-N 2.92Å; K476-Q479 PolarHBondContact O-N 2.58Å; K476-W480 WeakPolarHBondContact O-CB 3.5Å; K476-W480 PolarHBondContact O-N 3.22Å
477	A	73.4	Confident	69.9	Low	50 Å²	50	103.4 Å²	103.4	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-39.5	175.6	0	0	0	0	0	111.9	V473 L474 W480 N481	V473-A477 WeakPolarHBondContact O-CB 3.42Å; V473-A477 PolarHBondContact O-N 3.06Å; L474-A477 PolarHBondContact O-N 2.92Å; A477-W480 PolarHBondContact O-N 3.39Å; A477-N481 WeakPolarHBondContact O-CB 3.31Å; A477-N481 PolarHBondContact O-N 3.44Å
478	Q	72.1	Confident	68.2	Low	135 Å²	135	103.6 Å²	103.6	63%	0.631	52%	0.519	S	S	*	.	H	α-helix	trans	-64.6	-44.5	172.7	-75.5	177.2	-26.3	0	0	112.1	L474 L475 K476 W480 N481 A482	L474-Q478 WeakPolarHBondContact O-CG 3.43Å; L474-Q478 PolarHBondContact O-N 3.46Å; L475-Q478 PolarHBondContact O-N 3.1Å; K476-Q478 VanDerWaalsContact C-N 3.33Å; K476-Q478 PolarHBondContact O-N 2.92Å; Q478-W480 VanDerWaalsContact C-N 3.32Å; Q478-W480 PolarHBondContact O-N 3.02Å; Q478-N481 PolarHBondContact O-N 3.42Å; Q478-A482 WeakPolarHBondContact O-CB 3.48Å; Q478-A482 PolarHBondContact O-N 2.83Å
479	Q	75.7	Confident	66.2	Low	116 Å²	116	102.8 Å²	102.8	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-38.5	175.9	-75	173.7	-14.1	0	0	112.2	L475 K476 A482 K483	L475-Q479 WeakPolarHBondContact O-CB 3.43Å; L475-Q479 VanDerWaalsContact O-CG 3.31Å; L475-Q479 WeakPolarHBondContact O-CG 3.32Å; L475-Q479 PolarHBondContact O-N 3.2Å; K476-Q479 PolarHBondContact O-N 2.58Å; Q479-A482 PolarHBondContact O-N 2.04Å; Q479-K483 PolarHBondContact O-N 2.84Å
480	W	63.9	Low	64.3	Low	167 Å²	167	103.7 Å²	103.7	63%	0.633	52%	0.523	S	S	*	.	H	α-helix	trans	-68.1	-44.2	176.7	-170.4	78.8	0	0	0	111.9	K476 A477 Q478 A482 K483 N484	K476-W480 WeakPolarHBondContact O-CB 3.5Å; K476-W480 PolarHBondContact O-N 3.22Å; A477-W480 PolarHBondContact O-N 3.39Å; Q478-W480 VanDerWaalsContact C-N 3.32Å; Q478-W480 PolarHBondContact O-N 3.02Å; W480-A482 VanDerWaalsContact C-N 3.33Å; W480-A482 PolarHBondContact O-N 2.86Å; W480-K483 PolarHBondContact O-N 3.36Å; W480-N484 WeakPolarHBondContact CH2-ND2 3.49Å; W480-N484 VanDerWaalsContact CZ2-ND2 3.25Å; W480-N484 WeakPolarHBondContact CZ2-ND2 3.45Å; W480-N484 VanDerWaalsContact CZ3-ND2 3.27Å; W480-N484 WeakPolarHBondContact CZ3-ND2 3.08Å; W480-N484 PolarHBondContact O-N 2.93Å
481	N	69.7	Low	62.2	Low	90 Å²	90	105.8 Å²	105.8	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-38.4	173	-78.1	-12	0	0	0	112.3	A477 Q478 N484 H485	A477-N481 WeakPolarHBondContact O-CB 3.31Å; A477-N481 PolarHBondContact O-N 3.44Å; Q478-N481 PolarHBondContact O-N 3.42Å; N481-N484 PolarHBondContact O-N 3.02Å; N481-H485 PolarHBondContact O-CD2 3.43Å; N481-H485 PolarHBondContact O-N 2.85Å
482	A	67.7	Low	60	Low	52 Å²	52	110.3 Å²	110.3	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-64.8	-40.8	175.2	0	0	0	0	0	112.1	Q478 Q479 W480 H485 Q486	Q478-A482 WeakPolarHBondContact O-CB 3.48Å; Q478-A482 PolarHBondContact O-N 2.83Å; Q479-A482 PolarHBondContact O-N 2.04Å; W480-A482 VanDerWaalsContact C-N 3.33Å; W480-A482 PolarHBondContact O-N 2.86Å; A482-H485 PolarHBondContact O-N 2.9Å; A482-Q486 PolarHBondContact O-N 2.65Å
483	K	65.9	Low	57.6	Low	143 Å²	143	109.5 Å²	109.5	62%	0.622	55%	0.554	S	S	*	*	H	α-helix	trans	-63.3	-41.7	173.4	-86.3	-173.3	173.1	-174.9	0	112.5	Q479 W480 Q486 Q487	Q479-K483 PolarHBondContact O-N 2.84Å; W480-K483 PolarHBondContact O-N 3.36Å; K483-Q486 PolarHBondContact O-N 2.86Å; K483-Q487 PolarHBondContact O-N 2.63Å
484	N	61.2	Low	55.4	Low	70 Å²	70	113.1 Å²	113.1	37%	0.374	57%	0.567	S	S	.	*	H	α-helix	trans	-68.8	-33.8	177.9	-72.1	-19	0	0	0	112.6	W480 N481 Q487 S488	W480-N484 WeakPolarHBondContact CH2-ND2 3.49Å; W480-N484 VanDerWaalsContact CZ2-ND2 3.25Å; W480-N484 WeakPolarHBondContact CZ2-ND2 3.45Å; W480-N484 VanDerWaalsContact CZ3-ND2 3.27Å; W480-N484 WeakPolarHBondContact CZ3-ND2 3.08Å; W480-N484 PolarHBondContact O-N 2.93Å; N481-N484 PolarHBondContact O-N 3.02Å; N484-Q487 WeakPolarHBondContact O-CB 3.39Å; N484-Q487 PolarHBondContact O-N 3.23Å; N484-S488 PolarHBondContact O-N 2.88Å; N484-S488 VanDerWaalsContact O-N 3.13Å
485	H	54.7	Low	53.5	Low	114 Å²	114	114.9 Å²	114.9	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-67.8	-38.7	171	-91.5	-65.5	0	0	0	112.6	N481 A482 Q487 S488 D489	N481-H485 PolarHBondContact O-CD2 3.43Å; N481-H485 PolarHBondContact O-N 2.85Å; A482-H485 PolarHBondContact O-N 2.9Å; H485-Q487 PolarHBondContact O-N 2.92Å; H485-S488 PolarHBondContact O-N 2.88Å; H485-S488 VanDerWaalsContact O-N 3.15Å; H485-S488 PolarHBondContact O-OG 3.26Å; H485-D489 VanDerWaalsContact O-CG 3.32Å; H485-D489 PolarHBondContact O-N 3.24Å
486	Q	46.8	Very low	51.2	Low	130 Å²	130	120.3 Å²	120.3	61%	0.607	60%	0.601	S	S	*	*	H	α-helix	trans	-63.8	-30.7	172.3	-75.4	-177.6	-43.4	0	0	112.3	A482 K483 L490	A482-Q486 PolarHBondContact O-N 2.65Å; K483-Q486 PolarHBondContact O-N 2.86Å; Q486-L490 WeakPolarHBondContact O-CB 3.15Å; Q486-L490 WeakPolarHBondContact O-CD1 3.03Å; Q486-L490 WeakPolarHBondContact O-CG 3.4Å; Q486-L490 PolarHBondContact O-N 3.06Å
487	Q	42.7	Very low	48.9	Very low	129 Å²	129	120.4 Å²	120.4	60%	0.603	61%	0.607	S	S	*	*	H	α-helix	trans	-72.5	-28.4	174.9	-154.1	95.9	34.2	0	0	112.9	K483 N484 H485	K483-Q487 PolarHBondContact O-N 2.63Å; N484-Q487 WeakPolarHBondContact O-CB 3.39Å; N484-Q487 PolarHBondContact O-N 3.23Å; H485-Q487 PolarHBondContact O-N 2.92Å
488	S	46.7	Very low	46.6	Very low	56 Å²	56	123.9 Å²	123.9	39%	0.392	62%	0.623	S	S	.	*	H	α-helix	trans	-76.4	-40.2	172.2	63.2	0	0	0	0	111.9	N484 H485 L490 K491 E492	N484-S488 PolarHBondContact O-N 2.88Å; N484-S488 VanDerWaalsContact O-N 3.13Å; H485-S488 PolarHBondContact O-N 2.88Å; H485-S488 VanDerWaalsContact O-N 3.15Å; H485-S488 PolarHBondContact O-OG 3.26Å; S488-L490 PolarHBondContact O-N 3.04Å; S488-K491 PolarHBondContact O-N 3.46Å; S488-K491 VanDerWaalsContact O-N 3.16Å; S488-E492 PolarHBondContact O-N 2.89Å
489	D	38.6	Very low	44.2	Very low	96 Å²	96	122.2 Å²	122.2	51%	0.513	63%	0.626	S	S	.	*	H	α-helix	trans	-71.2	-33.1	-178.3	-64.5	-9.5	0	0	0	112	H485 K491 E492 S493	H485-D489 VanDerWaalsContact O-CG 3.32Å; H485-D489 PolarHBondContact O-N 3.24Å; D489-K491 PolarHBondContact O-N 3.12Å; D489-E492 PolarHBondContact O-N 3.08Å; D489-S493 PolarHBondContact O-N 3.4Å
490	L	39	Very low	41.7	Very low	123 Å²	123	123.3 Å²	123.3	64%	0.644	64%	0.641	S	S	*	*	H	α-helix	trans	-65.4	-27.2	172.7	-82.2	162	0	0	0	112.7	Q486 S488 S493	Q486-L490 WeakPolarHBondContact O-CB 3.15Å; Q486-L490 WeakPolarHBondContact O-CD1 3.03Å; Q486-L490 WeakPolarHBondContact O-CG 3.4Å; Q486-L490 PolarHBondContact O-N 3.06Å; S488-L490 PolarHBondContact O-N 3.04Å; L490-S493 PolarHBondContact O-OG 3.45Å
491	K	36.6	Very low	39.8	Very low	165 Å²	165	121.9 Å²	121.9	72%	0.717	65%	0.651	S	S	*	*	H	α-helix	trans	-82.1	-18.8	175.6	-78	-174.2	174.9	-175.4	0	113.6	S488 D489	S488-K491 PolarHBondContact O-N 3.46Å; S488-K491 VanDerWaalsContact O-N 3.16Å; D489-K491 PolarHBondContact O-N 3.12Å
492	E	31.5	Very low	37.6	Very low	158 Å²	158	125.2 Å²	125.2	74%	0.738	67%	0.667	S	S	*	*	H	α-helix	trans	-89.5	-15.4	-179	-145	169.9	-159.6	0	0	113.1	S488 D489 M494	S488-E492 PolarHBondContact O-N 2.89Å; D489-E492 PolarHBondContact O-N 3.08Å; E492-M494 VanDerWaalsContact C-N 3.31Å; E492-M494 PolarHBondContact O-N 2.6Å
493	S	30.5	Very low	35.5	Very low	99 Å²	99	128.2 Å²	128.2	69%	0.692	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-10.2	176.3	73.9	0	0	0	0	115.1	D489 L490	D489-S493 PolarHBondContact O-N 3.4Å; L490-S493 PolarHBondContact O-OG 3.45Å
494	M	29.9	Very low	33.7	Very low	171 Å²	171	126.5 Å²	126.5	84%	0.842	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	7	-169.9	-144.3	167.4	170	0	0	115.2	E492	E492-M494 VanDerWaalsContact C-N 3.31Å; E492-M494 PolarHBondContact O-N 2.6Å
495	T	29	Very low	32.1	Very low	113 Å²	113	129.2 Å²	129.2	69%	0.693	70%	0.703	S	S	*	*			trans	-135.6	66.1	179.6	14.5	0	0	0	0	111.9	I497	T495-I497 PolarHBondContact O-N 3.05Å
496	K	24.5	Very low	31	Very low	201 Å²	201	129.3 Å²	129.3	87%	0.874	71%	0.711	S	S	*	*			trans	-74.3	105.7	143.4	-79.7	178.7	178.5	175.3	0	106.6
497	I	26.1	Very low	30.4	Very low	151 Å²	151	128 Å²	128	77%	0.774	71%	0.713	S	S	*	*	S	Bend	trans	165.8	127.7	149	-82.5	150.6	0	0	0	107.2	T495	T495-I497 PolarHBondContact O-N 3.05Å
498	T	25	Very low	30.3	Very low	122 Å²	122	126 Å²	126	75%	0.748	71%	0.706	S	S	*	*			trans	69.3	95.7	170.2	43	0	0	0	0	120.1
499	S	22.3	Very low	30.4	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	72%	0.718	S	S	*	*				61.4	121.4	124	48.1	0	0	0	0	122.2
500	T	22.7	Very low	30.7	Very low	138 Å²	138	127.6 Å²	127.6	85%	0.847	72%	0.721	S	S	*	*			trans	71.8	69.7	151.9	35.7	0	0	0	0	118.4
501	T	24.8	Very low	30.9	Very low	138 Å²	138	127.2 Å²	127.2	85%	0.847	72%	0.719	S	S	*	*			trans	-84	108.1	160.6	4.7	0	0	0	0	110.7	T503	T501-T503 PolarHBondContact O-N 3.48Å
502	I	24.3	Very low	31.4	Very low	159 Å²	159	122.9 Å²	122.9	82%	0.815	70%	0.703	S	S	*	*			trans	-58.1	114.3	157.6	-64.9	167	0	0	0	106.7	P504	I502-P504 WeakPolarHBondContact O-CD 3.4Å
503	T	23.9	Very low	32.5	Very low	115 Å²	115	121.7 Å²	121.7	71%	0.706	70%	0.695	S	S	*	*			trans	-68.5	113	176.1	46.1	0	0	0	0	110.4	T501 T505	T501-T503 PolarHBondContact O-N 3.48Å; T503-T505 PolarHBondContact O-N 3.04Å
504	P	27.5	Very low	33.1	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	68%	0.684	S	S	*	*			trans	-79.6	111.8	160.4	12.1	7.1	0	0	0	106.3	I502 V506	I502-P504 WeakPolarHBondContact O-CD 3.4Å; P504-V506 PolarHBondContact O-N 2.82Å
505	T	26.8	Very low	34.1	Very low	127 Å²	127	116.2 Å²	116.2	78%	0.779	67%	0.667	S	S	*	*			trans	-64.4	77.7	171.1	50.1	0	0	0	0	109.7	T503 T507	T503-T505 PolarHBondContact O-N 3.04Å; T505-T507 PolarHBondContact O-N 2.69Å; T505-T507 VanDerWaalsContact O-N 3.13Å
506	V	32	Very low	35.1	Very low	115 Å²	115	119.3 Å²	119.3	70%	0.697	67%	0.666	S	S	*	*			trans	-76.2	99.1	166.4	-176.2	0	0	0	0	106	P504 N508	P504-V506 PolarHBondContact O-N 2.82Å; V506-N508 PolarHBondContact O-N 2.75Å
507	T	34.6	Very low	36.2	Very low	104 Å²	104	113.2 Å²	113.2	64%	0.638	64%	0.642	S	S	*	*			trans	-60.8	99.2	173.9	44	0	0	0	0	108.7	T505 S509	T505-T507 PolarHBondContact O-N 2.69Å; T505-T507 VanDerWaalsContact O-N 3.13Å; T507-S509 PolarHBondContact O-N 2.93Å
508	N	39.5	Very low	37.5	Very low	87 Å²	87	109.5 Å²	109.5	47%	0.465	63%	0.626	S	S	.	*			trans	-58.8	99.2	-179.6	-107.2	-32.5	0	0	0	110	V506 T510 L511 I512	V506-N508 PolarHBondContact O-N 2.75Å; N508-T510 PolarHBondContact O-N 2.92Å; N508-T510 VanDerWaalsContact O-N 3.09Å; N508-L511 HydrophobicContact CB-CB 4.32Å; N508-L511 HydrophobicContact CB-CD1 4.05Å; N508-L511 PolarHBondContact O-N 3.1Å; N508-I512 PolarHBondContact O-N 3.23Å
509	S	50	Low	38.7	Very low	92 Å²	92	108.6 Å²	108.6	64%	0.643	62%	0.617	S	S	*	*	H	α-helix	trans	-56.1	-27.8	-178.3	-67.3	0	0	0	0	112.7	T507 I512 F513	T507-S509 PolarHBondContact O-N 2.93Å; S509-I512 PolarHBondContact O-N 3.37Å; S509-F513 PolarHBondContact O-N 2.98Å
510	T	44.1	Very low	39.7	Very low	93 Å²	93	109.5 Å²	109.5	57%	0.571	61%	0.613	S	S	*	*	H	α-helix	trans	-69.6	-37	177	-31.5	0	0	0	0	112.4	N508 F513 L514	N508-T510 PolarHBondContact O-N 2.92Å; N508-T510 VanDerWaalsContact O-N 3.09Å; T510-F513 PolarHBondContact O-N 3.11Å; T510-L514 HydrophobicContact CG2-CD1 4.38Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 VanDerWaalsContact O-CG 3.29Å; T510-L514 WeakPolarHBondContact O-CG 3.26Å; T510-L514 PolarHBondContact O-N 2.8Å
511	L	44	Very low	40.7	Very low	114 Å²	114	108.7 Å²	108.7	60%	0.597	60%	0.603	S	S	*	*	H	α-helix	trans	-72.3	-32.4	174.9	-86.4	163.9	0	0	0	111.7	N508 S515	N508-L511 HydrophobicContact CB-CB 4.32Å; N508-L511 HydrophobicContact CB-CD1 4.05Å; N508-L511 PolarHBondContact O-N 3.1Å; L511-S515 WeakPolarHBondContact O-CB 3.46Å; L511-S515 PolarHBondContact O-N 3.38Å; L511-S515 PolarHBondContact O-OG 3.24Å
512	I	47.2	Very low	41.5	Very low	74 Å²	74	107.6 Å²	107.6	38%	0.379	59%	0.592	S	S	.	*	H	α-helix	trans	-69	-41.3	173.3	-61.7	174.3	0	0	0	110.6	N508 S509 S515 R516	N508-I512 PolarHBondContact O-N 3.23Å; S509-I512 PolarHBondContact O-N 3.37Å; I512-S515 WeakPolarHBondContact CA-OG 3.43Å; I512-S515 PolarHBondContact O-OG 2.79Å; I512-R516 VanDerWaalsContact O-CB 3.28Å; I512-R516 WeakPolarHBondContact O-CB 3.48Å; I512-R516 VanDerWaalsContact O-CG 3.26Å; I512-R516 WeakPolarHBondContact O-CG 3Å; I512-R516 PolarHBondContact O-N 2.75Å
513	F	54.3	Low	41.9	Very low	134 Å²	134	106.1 Å²	106.1	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-65.7	-45.7	175.5	178.9	-98.2	0	0	0	111.8	S509 T510 R516 L517	S509-F513 PolarHBondContact O-N 2.98Å; T510-F513 PolarHBondContact O-N 3.11Å; F513-R516 PolarHBondContact O-N 3.26Å; F513-L517 HydrophobicContact CE1-CD2 4.24Å; F513-L517 VanDerWaalsContact O-CB 3.31Å; F513-L517 WeakPolarHBondContact O-CB 3.42Å; F513-L517 PolarHBondContact O-N 3.47Å
514	L	43.2	Very low	42.3	Very low	87 Å²	87	109.8 Å²	109.8	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-66.6	-41.6	177.9	-74.2	168.1	0	0	0	112	T510 L517 V518	T510-L514 HydrophobicContact CG2-CD1 4.38Å; T510-L514 WeakPolarHBondContact O-CB 3.38Å; T510-L514 VanDerWaalsContact O-CG 3.29Å; T510-L514 WeakPolarHBondContact O-CG 3.26Å; T510-L514 PolarHBondContact O-N 2.8Å; L514-L517 PolarHBondContact O-N 3.48Å; L514-V518 VanDerWaalsContact O-CB 3.27Å; L514-V518 WeakPolarHBondContact O-CB 3.18Å; L514-V518 WeakPolarHBondContact O-CG2 3.25Å; L514-V518 PolarHBondContact O-N 2.72Å
515	S	51.2	Low	42.6	Very low	68 Å²	68	109.9 Å²	109.9	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-38.5	174.8	59.7	0	0	0	0	112.1	L511 I512 N519	L511-S515 WeakPolarHBondContact O-CB 3.46Å; L511-S515 PolarHBondContact O-N 3.38Å; L511-S515 PolarHBondContact O-OG 3.24Å; I512-S515 WeakPolarHBondContact CA-OG 3.43Å; I512-S515 PolarHBondContact O-OG 2.79Å; S515-N519 WeakPolarHBondContact O-CB 3.45Å; S515-N519 PolarHBondContact O-N 3.44Å
516	R	50	Low	42.7	Very low	178 Å²	178	113.1 Å²	113.1	67%	0.672	59%	0.588	S	S	*	*	H	α-helix	trans	-65.7	-42.9	173.8	-78.3	179.5	174.1	179.2	-0.5	112	I512 F513 N519 L520	I512-R516 VanDerWaalsContact O-CB 3.28Å; I512-R516 WeakPolarHBondContact O-CB 3.48Å; I512-R516 VanDerWaalsContact O-CG 3.26Å; I512-R516 WeakPolarHBondContact O-CG 3Å; I512-R516 PolarHBondContact O-N 2.75Å; F513-R516 PolarHBondContact O-N 3.26Å; R516-N519 PolarHBondContact O-N 3.42Å; R516-L520 WeakPolarHBondContact O-CB 3.2Å; R516-L520 PolarHBondContact O-N 3.44Å
517	L	47.4	Very low	42.3	Very low	73 Å²	73	118.6 Å²	118.6	38%	0.382	60%	0.596	S	S	.	*	H	α-helix	trans	-67.8	-44.4	178.5	-175.1	65.8	0	0	0	111.3	F513 L514 L520 L521	F513-L517 HydrophobicContact CE1-CD2 4.24Å; F513-L517 VanDerWaalsContact O-CB 3.31Å; F513-L517 WeakPolarHBondContact O-CB 3.42Å; F513-L517 PolarHBondContact O-N 3.47Å; L514-L517 PolarHBondContact O-N 3.48Å; L517-L520 CarbonylContact O-C 3.53Å; L517-L520 WeakPolarHBondContact O-CB 3.45Å; L517-L520 PolarHBondContact O-N 3.06Å; L517-L521 HydrophobicContact CD1-CD1 4.24Å; L517-L521 HydrophobicContact CD1-CG 4.44Å; L517-L521 HydrophobicContact CG-CD1 3.9Å; L517-L521 HydrophobicContact CG-CG 4.46Å; L517-L521 WeakPolarHBondContact O-CB 3.47Å; L517-L521 WeakPolarHBondContact O-CG 3.14Å; L517-L521 PolarHBondContact O-N 2.83Å
518	V	52.2	Low	41.9	Very low	73 Å²	73	123 Å²	123	44%	0.442	61%	0.607	S	S	.	*	H	α-helix	trans	-64.6	-39.1	174.8	171.9	0	0	0	0	110.8	L514 L520 L521 N522	L514-V518 VanDerWaalsContact O-CB 3.27Å; L514-V518 WeakPolarHBondContact O-CB 3.18Å; L514-V518 WeakPolarHBondContact O-CG2 3.25Å; L514-V518 PolarHBondContact O-N 2.72Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 3.35Å; V518-L521 PolarHBondContact O-N 2.94Å; V518-N522 WeakPolarHBondContact O-CB 3.23Å; V518-N522 PolarHBondContact O-N 3.2Å
519	N	50.9	Low	41.1	Very low	103 Å²	103	128.1 Å²	128.1	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-65.4	-35.9	173.2	-167.3	23.5	0	0	0	111.8	S515 R516 Q523	S515-N519 WeakPolarHBondContact O-CB 3.45Å; S515-N519 PolarHBondContact O-N 3.44Å; R516-N519 PolarHBondContact O-N 3.42Å; N519-Q523 VanDerWaalsContact O-CG 3.3Å; N519-Q523 WeakPolarHBondContact O-CG 3.48Å; N519-Q523 PolarHBondContact O-N 3.28Å; N519-Q523 VanDerWaalsContact O-N 3.09Å
520	L	44.1	Very low	39.8	Very low	120 Å²	120	135.3 Å²	135.3	63%	0.628	64%	0.638	S	S	*	*	H	α-helix	trans	-70	-34.2	175.1	-128	146.9	0	0	0	112.5	R516 L517 V518	R516-L520 WeakPolarHBondContact O-CB 3.2Å; R516-L520 PolarHBondContact O-N 3.44Å; L517-L520 CarbonylContact O-C 3.53Å; L517-L520 WeakPolarHBondContact O-CB 3.45Å; L517-L520 PolarHBondContact O-N 3.06Å; V518-L520 VanDerWaalsContact C-N 3.32Å; V518-L520 PolarHBondContact O-N 3.35Å
521	L	42.2	Very low	38.9	Very low	121 Å²	121	136 Å²	136	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-84.5	-33.2	179.6	-67.7	171.7	0	0	0	112.6	L517 V518 Q523	L517-L521 HydrophobicContact CD1-CD1 4.24Å; L517-L521 HydrophobicContact CD1-CG 4.44Å; L517-L521 HydrophobicContact CG-CD1 3.9Å; L517-L521 HydrophobicContact CG-CG 4.46Å; L517-L521 WeakPolarHBondContact O-CB 3.47Å; L517-L521 WeakPolarHBondContact O-CG 3.14Å; L517-L521 PolarHBondContact O-N 2.83Å; V518-L521 PolarHBondContact O-N 2.94Å; L521-Q523 VanDerWaalsContact C-N 3.28Å
522	N	41.7	Very low	38.1	Very low	114 Å²	114	135.4 Å²	135.4	61%	0.61	65%	0.649	S	S	*	*	S	Bend	trans	-82.7	-2.3	173.1	-79	-10	0	0	0	113	V518 Y524	V518-N522 WeakPolarHBondContact O-CB 3.23Å; V518-N522 PolarHBondContact O-N 3.2Å; N522-Y524 PolarHBondContact O-N 3.41Å
523	Q	33	Very low	36.8	Very low	128 Å²	128	138.7 Å²	138.7	60%	0.598	67%	0.666	S	S	*	*			trans	-66.9	73.3	154.6	-80.7	174.6	35.8	0	0	108.2	N519 L521	N519-Q523 VanDerWaalsContact O-CG 3.3Å; N519-Q523 WeakPolarHBondContact O-CG 3.48Å; N519-Q523 PolarHBondContact O-N 3.28Å; N519-Q523 VanDerWaalsContact O-N 3.09Å; L521-Q523 VanDerWaalsContact C-N 3.28Å
524	Y	31.8	Very low	35.3	Very low	193 Å²	193	138.8 Å²	138.8	76%	0.757	67%	0.673	S	S	*	*			trans	-51.9	126.2	151	-92.2	-86	0	0	0	105.8	N522 K526	N522-Y524 PolarHBondContact O-N 3.41Å; Y524-K526 PolarHBondContact O-N 2.72Å
525	P	34.2	Very low	34.3	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	68%	0.677	S	S	*	*			trans	-54	117.9	179.1	21.1	-29.9	0	0	0	106	R527	P525-R527 PolarHBondContact O-N 2.87Å
526	K	28.4	Very low	33.1	Very low	194 Å²	194	145 Å²	145	84%	0.843	70%	0.697	S	S	*	*			trans	-55.7	96.2	165	-80.3	-174.2	178.2	-179.9	0	104.7	Y524 F528	Y524-K526 PolarHBondContact O-N 2.72Å; K526-F528 PolarHBondContact O-N 3.07Å
527	R	23.5	Very low	31.8	Very low	230 Å²	230	142.6 Å²	142.6	87%	0.868	70%	0.697	S	S	*	*			trans	-51.1	102.2	155	-89.8	179.8	174.7	160.2	-2.2	102.9	P525 K529	P525-R527 PolarHBondContact O-N 2.87Å; R527-K529 PolarHBondContact O-N 3.2Å
528	F	28.1	Very low	30.6	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.864	71%	0.713	S	S	*	*			trans	-54.5	105	154.8	-90.7	-85.5	0	0	0	104.4	K526 R530	K526-F528 PolarHBondContact O-N 3.07Å; F528-R530 PolarHBondContact O-N 3.18Å
529	K	22.6	Very low	29.2	Very low	194 Å²	194	148.8 Å²	148.8	84%	0.843	73%	0.728	S	S	*	*			trans	-52.7	108.5	168.8	-80.5	-178.9	172.9	-178.9	0	105.2	R527 S531	R527-K529 PolarHBondContact O-N 3.2Å; K529-S531 VanDerWaalsContact C-N 3.31Å; K529-S531 PolarHBondContact O-N 3.4Å; K529-S531 VanDerWaalsContact O-N 3.12Å
530	R	22.2	Very low	28	Very low	244 Å²	244	151.7 Å²	151.7	92%	0.921	74%	0.743	S	S	*	*			trans	-64	102.6	152.4	-77.3	179.7	172.3	168	-4.3	105	F528	F528-R530 PolarHBondContact O-N 3.18Å
531	S	23.9	Very low	26.8	Very low	106 Å²	106	155 Å²	155	74%	0.741	75%	0.752	S	S	*	*			trans	-82.9	148.8	155.5	49.9	0	0	0	0	108.6	K529	K529-S531 VanDerWaalsContact C-N 3.31Å; K529-S531 PolarHBondContact O-N 3.4Å; K529-S531 VanDerWaalsContact O-N 3.12Å
532	P	27.9	Very low	26	Very low	103 Å²	103	156.3 Å²	156.3	67%	0.669	76%	0.759	S	S	*	*			trans	-110	-178.5	-151.5	37.6	-22.6	0	0	0	111.8
533	I	20.8	Very low	25	Very low	142 Å²	142	159.4 Å²	159.4	73%	0.728	77%	0.767	S	S	*	*			trans	80.8	129.1	160.2	-57	160.7	0	0	0	112.4
534	D	22.2	Very low	24.5	Very low	136 Å²	136	160.4 Å²	160.4	73%	0.727	78%	0.777	S	S	*	*			cis	-161.4	161.3	1.7	-115.4	-14.6	0	0	0	109.6
535	S	22	Very low	24	Very low	78 Å²	78	159.2 Å²	159.2	55%	0.545	78%	0.776	S	S	.	*			trans	-8.6	121.8	154.3	55.3	0	0	0	0	120.1
536	F	25.6	Very low	23.5	Very low	207 Å²	207	160.1 Å²	160.1	91%	0.908	78%	0.775	S	S	*	*			trans	-147.5	94.2	134.8	-82.7	-81	0	0	0	105.4
537	I	22.6	Very low	23.4	Very low	129 Å²	129	159.1 Å²	159.1	66%	0.662	78%	0.779	S	S	*	*				62.9	115.4	83.1	-64.3	-176.2	0	0	0	113.4
538	N	22.6	Very low	23.4	Very low	136 Å²	136	156.7 Å²	156.7	73%	0.727	78%	0.775	S	S	*	*			trans	78.5	110.9	151.9	-65.3	-4.4	0	0	0	121.1
539	D	22.5	Very low	23.1	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	77%	0.769	S	S	*	*				28.6	112.4	117.9	-70.7	-36.4	0	0	0	116.7
540	D	25.4	Very low	23.1	Very low	164 Å²	164	151.5 Å²	151.5	88%	0.877	77%	0.768	S	S	*	*				-155.1	123.2	118.3	-98.4	-29.6	0	0	0	112
541	K	20.3	Very low	23.2	Very low	189 Å²	189	147 Å²	147	82%	0.822	76%	0.761	S	S	*	*			trans	-67.2	124.5	164.3	-72.3	167.8	175.7	169.1	0	108.4
542	I	25.1	Very low	23.2	Very low	149 Å²	149	152 Å²	152	76%	0.764	77%	0.77	S	S	*	*			trans	-135	92.1	142.7	-58.1	-177.8	0	0	0	108.2	N544	I542-N544 HydrophobicContact CG2-CB 4.31Å
543	F	19.7	Very low	23.1	Very low	180 Å²	180	152 Å²	152	79%	0.789	77%	0.772	S	S	*	*			trans	-66	117.7	150.7	-97.9	-95.6	0	0	0	106.9	F545	F543-F545 HydrophobicContact CD1-CD2 4.3Å; F543-F545 HydrophobicContact CD1-CE2 4.43Å
544	N	22.9	Very low	23.2	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	78%	0.778	S	S	*	*			trans	-113.4	93.4	166.8	-135.7	3.4	0	0	0	109.1	I542	I542-N544 HydrophobicContact CG2-CB 4.31Å
545	F	21.4	Very low	23.4	Very low	167 Å²	167	154.1 Å²	154.1	73%	0.732	78%	0.776	S	S	*	*			trans	-81.8	113.6	158.5	-103.2	-95.2	0	0	0	106.7	F543	F543-F545 HydrophobicContact CD1-CD2 4.3Å; F543-F545 HydrophobicContact CD1-CE2 4.43Å
546	N	23.7	Very low	23.6	Very low	130 Å²	130	159.8 Å²	159.8	70%	0.695	79%	0.787	S	S	*	*			trans	152.2	95.6	147.3	-78.1	-15.3	0	0	0	109
547	D	26.1	Very low	23.5	Very low	173 Å²	173	154 Å²	154	93%	0.925	78%	0.776	S	S	*	*				-152	109.7	126.6	-97.7	-22.6	0	0	0	108.6
548	F	23.6	Very low	23.5	Very low	179 Å²	179	154.9 Å²	154.9	79%	0.785	78%	0.782	S	S	*	*			trans	-84.9	152.8	179.3	-111.8	-88.3	0	0	0	109.4
549	T	21.1	Very low	23.6	Very low	122 Å²	122	153.2 Å²	153.2	75%	0.748	78%	0.777	S	S	*	*			trans	84.3	142.6	153.2	60.1	0	0	0	0	121.3
550	I	23.1	Very low	23.7	Very low	160 Å²	160	154.5 Å²	154.5	82%	0.821	78%	0.78	S	S	*	*			trans	94.6	108.7	176.5	-49.5	166.6	0	0	0	111.4
551	L	24.5	Very low	23.6	Very low	148 Å²	148	151.8 Å²	151.8	78%	0.775	77%	0.77	S	S	*	*			cis	-156.5	142.6	27.2	-163.8	72.7	0	0	0	109.5	S553	L551-S553 PolarHBondContact O-N 3.43Å
552	K	23.1	Very low	23.8	Very low	212 Å²	212	152.6 Å²	152.6	92%	0.922	77%	0.768	S	S	*	*			trans	-59	110.5	171	-72.9	169.6	173.6	174.2	0	110.7
553	S	26.5	Very low	23.8	Very low	102 Å²	102	150.6 Å²	150.6	71%	0.713	77%	0.765	S	S	*	*			trans	-137.7	99.8	153.5	56.2	0	0	0	0	109.5	L551	L551-S553 PolarHBondContact O-N 3.43Å
554	Y	23.8	Very low	24.1	Very low	219 Å²	219	147.7 Å²	147.7	86%	0.859	77%	0.766	S	S	*	*			trans	38.2	92.4	164.5	-66.3	-84.9	0	0	0	119.1	Y556	Y554-Y556 PolarHBondContact O-N 3Å
555	P	26.7	Very low	24.2	Very low	105 Å²	105	148 Å²	148	68%	0.682	76%	0.763	S	S	*	*			trans	-88.4	73.7	172	36.3	-31.4	0	0	0	111.2
556	Y	25.1	Very low	24.4	Very low	197 Å²	197	147.2 Å²	147.2	77%	0.773	77%	0.772	S	S	*	*			trans	-144.2	61	161.3	-70.8	-70.5	0	0	0	111.6	Y554	Y554-Y556 PolarHBondContact O-N 3Å
557	A	23.1	Very low	24.6	Very low	84 Å²	84	146.9 Å²	146.9	69%	0.694	77%	0.769	S	S	*	*			trans	-139.6	56	152.7	0	0	0	0	0	107.8	T559	A557-T559 PolarHBondContact O-N 2.86Å
558	L	23.8	Very low	24.6	Very low	148 Å²	148	147.9 Å²	147.9	78%	0.775	77%	0.765	S	S	*	*			trans	-63.8	100.3	169.4	-84.5	162.2	0	0	0	108.3	M560	L558-M560 PolarHBondContact O-N 3.46Å
559	T	24.2	Very low	24.6	Very low	101 Å²	101	149.2 Å²	149.2	62%	0.62	77%	0.774	S	S	*	*			trans	6.3	104.4	143.7	46.6	0	0	0	0	114.9	A557 T561	A557-T559 PolarHBondContact O-N 2.86Å; T559-T561 PolarHBondContact O-N 3.49Å
560	M	24.5	Very low	25.1	Very low	166 Å²	166	148.4 Å²	148.4	82%	0.818	77%	0.773	S	S	*	*	S	Bend	trans	-73.6	55.2	152	-72.1	-132.2	79.7	0	0	110.3	F360 L558	F360-M560 HydrophobicContact CE1-SD 4.01Å; L558-M560 PolarHBondContact O-N 3.46Å
561	T	23.9	Very low	25.5	Very low	108 Å²	108	150.4 Å²	150.4	66%	0.663	78%	0.776	S	S	*	*	S	Bend	trans	-113.7	84.1	155.7	51.1	0	0	0	0	106.4	T559	T559-T561 PolarHBondContact O-N 3.49Å
562	R	24.5	Very low	25.6	Very low	205 Å²	205	153.1 Å²	153.1	77%	0.774	78%	0.782	S	S	*	*			trans	-7	109.1	165.2	-164.4	179.6	-165.7	175.3	3.9	114.2	S564	R562-S564 PolarHBondContact O-N 3.07Å
563	P	25	Very low	26.1	Very low	108 Å²	108	148.8 Å²	148.8	70%	0.701	78%	0.775	S	S	*	*			trans	-62.2	133.2	158.9	-14.4	28.6	0	0	0	107.8	Q565	P563-Q565 PolarHBondContact O-N 3.27Å
564	S	24.8	Very low	26.8	Very low	118 Å²	118	155.6 Å²	155.6	83%	0.825	79%	0.785	S	S	*	*			trans	-59.2	80.7	176.2	46.8	0	0	0	0	111.5	R562	R562-S564 PolarHBondContact O-N 3.07Å
565	Q	26.4	Very low	28	Very low	156 Å²	156	153 Å²	153	73%	0.729	78%	0.778	S	S	*	*			trans	-77.6	118.1	155.6	-73.5	-174.9	-10.6	0	0	107.4	P563 I567	P563-Q565 PolarHBondContact O-N 3.27Å; Q565-I567 PolarHBondContact O-N 3.17Å
566	T	24.5	Very low	29.7	Very low	151 Å²	151	149.9 Å²	149.9	93%	0.926	76%	0.755	S	S	*	*			trans	-53.1	79.1	171.1	35.3	0	0	0	0	111.1
567	I	27.8	Very low	31.9	Very low	122 Å²	122	142.7 Å²	142.7	63%	0.626	73%	0.729	S	S	*	*			trans	-107	109.3	168.9	-60.9	178.5	0	0	0	107.3	Q565	Q565-I567 PolarHBondContact O-N 3.17Å
568	K	26.2	Very low	34.3	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	70%	0.697	S	S	*	*			trans	-14.4	125.9	170.5	-68.5	175.5	176.2	177.8	0	114.2	S570	K568-S570 PolarHBondContact O-N 3Å
569	Q	24.3	Very low	36.5	Very low	208 Å²	208	133.7 Å²	133.7	97%	0.972	67%	0.673	S	S	*	*			trans	-22.1	89.3	171.6	-65	175.7	0.5	0	0	113.9
570	S	30.2	Very low	38.6	Very low	105 Å²	105	132 Å²	132	73%	0.734	66%	0.66	S	S	*	*			trans	-106	124.7	161.2	74.2	0	0	0	0	107.9	K568	K568-S570 PolarHBondContact O-N 3Å
571	K	32.2	Very low	40.9	Very low	201 Å²	201	124.2 Å²	124.2	87%	0.874	62%	0.622	S	S	*	*			trans	-20.1	127.7	-177.6	-62.7	172.9	-179.7	178	0	114.6
572	K	27.5	Very low	43.1	Very low	205 Å²	205	125.8 Å²	125.8	89%	0.891	62%	0.615	S	S	*	*			trans	-38.1	126.7	170.5	-77.8	-177.8	175.9	178.3	0	110.1	R574	K572-R574 PolarHBondContact O-N 2.97Å
573	P	33.5	Very low	45	Very low	122 Å²	122	123 Å²	123	79%	0.792	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-58.4	128.1	-177.9	22.1	-30.9	0	0	0	109.4	K575	P573-K575 PolarHBondContact O-N 3.37Å
574	R	40.4	Very low	46.8	Very low	244 Å²	244	118.9 Å²	118.9	92%	0.921	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-51.6	126.5	176	-149	176.3	-170.3	143	-0.1	107.6	K572 H576	K572-R574 PolarHBondContact O-N 2.97Å; R574-H576 PolarHBondContact O-N 2.8Å; R574-H576 VanDerWaalsContact O-N 3.13Å
575	K	49.2	Very low	48.4	Very low	164 Å²	164	119.3 Å²	119.3	71%	0.713	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-50.8	123.1	177.1	-73.6	-173.8	176.6	-176.3	0	109.1	P573	P573-K575 PolarHBondContact O-N 3.37Å
576	H	62	Low	50.7	Low	41 Å²	41	113.2 Å²	113.2	19%	0.19	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-67.8	141.4	-176.2	-167	-89.9	0	0	0	110.5	Y362 P363 L365 R574 N578 S579	Y362-H576 PolarHBondContact O-CE1 2.9Å; Y362-H576 PolarHBondContact O-NE2 3.05Å; P363-H576 VanDerWaalsContact C-CD2 3.47Å; P363-H576 PolarHBondContact O-CD2 3.42Å; P363-H576 PolarHBondContact O-NE2 3.34Å; L365-H576 PolarHBondContact O-NE2 3.05Å; R574-H576 PolarHBondContact O-N 2.8Å; R574-H576 VanDerWaalsContact O-N 3.13Å; H576-N578 PolarHBondContact CE1-ND2 3.49Å; H576-N578 VanDerWaalsContact CE1-ND2 3.26Å; H576-N578 WeakPolarHBondContact ND1-CB 3.34Å; H576-N578 PolarHBondContact ND1-N 2.85Å; H576-N578 VanDerWaalsContact ND1-N 3.13Å; H576-N578 PolarHBondContact O-N 3.34Å; H576-S579 PolarHBondContact N-OG 2.64Å; H576-S579 WeakPolarHBondContact O-CB 3.5Å; H576-S579 PolarHBondContact O-N 2.84Å; H576-S579 PolarHBondContact O-OG 2.97Å
577	I	71.2	Confident	53.3	Low	45 Å²	45	106.8 Å²	106.8	23%	0.231	52%	0.524	C	S	.	.	H	α-helix	trans	-58.9	-38.5	-178.2	-162.6	162	0	0	0	111.6	R366 P368 S579 I580	R366-I577 WeakPolarHBondContact O-CG2 3.28Å; P368-I577 HydrophobicContact CB-CG2 4.49Å; I577-S579 PolarHBondContact O-N 2.76Å; I577-I580 HydrophobicContact CG1-CD1 4.41Å; I577-I580 WeakPolarHBondContact O-CB 3.32Å; I577-I580 PolarHBondContact O-N 2.97Å; I577-I580 VanDerWaalsContact O-N 3.13Å
578	N	73.5	Confident	55.9	Low	2 Å²	2	105 Å²	105	1%	0.011	52%	0.522	C	S	.	.	H	α-helix	trans	-64.7	-25	176.7	-62.8	-27.4	0	0	0	113.2	Y362 P368 V369 G415 H576 I580 F581	Y362-N578 HydrophobicContact CE1-CB 3.64Å; Y362-N578 WeakPolarHBondContact CE1-ND2 3.4Å; Y362-N578 WeakPolarHBondContact CE2-ND2 3.44Å; Y362-N578 WeakPolarHBondContact OH-CB 2.98Å; Y362-N578 VanDerWaalsContact OH-CG 3.24Å; Y362-N578 PolarHBondContact OH-ND2 2.88Å; P368-N578 VanDerWaalsContact CA-OD1 3.24Å; P368-N578 WeakPolarHBondContact CA-OD1 3.25Å; V369-N578 PolarHBondContact N-OD1 2.94Å; G415-N578 WeakPolarHBondContact CA-O 3.1Å; H576-N578 PolarHBondContact CE1-ND2 3.49Å; H576-N578 VanDerWaalsContact CE1-ND2 3.26Å; H576-N578 WeakPolarHBondContact ND1-CB 3.34Å; H576-N578 PolarHBondContact ND1-N 2.85Å; H576-N578 VanDerWaalsContact ND1-N 3.13Å; H576-N578 PolarHBondContact O-N 3.34Å; N578-I580 VanDerWaalsContact C-N 3.26Å; N578-I580 PolarHBondContact O-N 3.48Å; N578-F581 PolarHBondContact O-N 2.96Å
579	S	70.6	Confident	58.9	Low	41 Å²	41	100.8 Å²	100.8	29%	0.287	51%	0.507	S	S	.	.	H	α-helix	trans	-70.4	-22.2	176.8	72.3	0	0	0	0	113.3	H576 I577 F581 R582	H576-S579 PolarHBondContact N-OG 2.64Å; H576-S579 WeakPolarHBondContact O-CB 3.5Å; H576-S579 PolarHBondContact O-N 2.84Å; H576-S579 PolarHBondContact O-OG 2.97Å; I577-S579 PolarHBondContact O-N 2.76Å; S579-F581 VanDerWaalsContact C-N 3.33Å; S579-R582 PolarHBondContact O-N 3.16Å
580	I	69.1	Low	62.1	Low	66 Å²	66	90.9 Å²	90.9	34%	0.338	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-41	178	-59.2	175.7	0	0	0	110	H457 I577 N578 R582 Q583	H457-I580 VanDerWaalsContact CE1-CG2 3.42Å; H457-I580 WeakPolarHBondContact CE1-CG2 3.29Å; I577-I580 HydrophobicContact CG1-CD1 4.41Å; I577-I580 WeakPolarHBondContact O-CB 3.32Å; I577-I580 PolarHBondContact O-N 2.97Å; I577-I580 VanDerWaalsContact O-N 3.13Å; N578-I580 VanDerWaalsContact C-N 3.26Å; N578-I580 PolarHBondContact O-N 3.48Å; I580-R582 VanDerWaalsContact C-N 3.27Å; I580-R582 PolarHBondContact O-N 2.56Å; I580-Q583 PolarHBondContact O-N 3.44Å; I580-Q583 VanDerWaalsContact O-N 3.15Å
581	F	73	Confident	65.2	Low	3 Å²	3	87.8 Å²	87.8	1%	0.013	43%	0.434	C	S	.	.	H	α-helix	trans	-65.7	-28	-179.5	-65.1	-76	0	0	0	113.1	P368 G415 W450 E453 L454 N578 S579 Q583 Y590	P368-F581 HydrophobicContact CB-CE2 3.9Å; P368-F581 HydrophobicContact CB-CZ 4.43Å; G415-F581 WeakPolarHBondContact O-CB 3.42Å; W450-F581 AromaticContact NE1-CG 3.95Å; E453-F581 HydrophobicContact CG-CD1 4.3Å; E453-F581 HydrophobicContact CG-CE1 4.47Å; L454-F581 HydrophobicContact CB-CE1 4.02Å; L454-F581 HydrophobicContact CB-CZ 4.09Å; L454-F581 HydrophobicContact CD1-CE1 4.38Å; L454-F581 HydrophobicContact CD1-CE2 4.45Å; L454-F581 HydrophobicContact CD1-CZ 3.61Å; L454-F581 HydrophobicContact CG-CZ 4.47Å; N578-F581 PolarHBondContact O-N 2.96Å; S579-F581 VanDerWaalsContact C-N 3.33Å; F581-Q583 VanDerWaalsContact C-N 3.31Å; F581-Q583 PolarHBondContact O-N 3.01Å; F581-Y590 HydrophobicContact CB-CE2 4.12Å; F581-Y590 PolarHBondContact O-OH 3.42Å
582	R	69.4	Low	68.1	Low	140 Å²	140	79 Å²	79	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-72.9	-24	176.4	-169.6	175.7	165.4	-178.7	-4.8	113.2	Q412 S579 I580 S584	Q412-R582 PolarHBondContact O-NH1 3.23Å; S579-R582 PolarHBondContact O-N 3.16Å; I580-R582 VanDerWaalsContact C-N 3.27Å; I580-R582 PolarHBondContact O-N 2.56Å; R582-S584 VanDerWaalsContact C-N 3.34Å
583	Q	63.7	Low	71.2	Confident	146 Å²	146	71.2 Å²	71.2	68%	0.682	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4	-179.3	-64.2	-175.8	-10.7	0	0	113.1	I580 F581	I580-Q583 PolarHBondContact O-N 3.44Å; I580-Q583 VanDerWaalsContact O-N 3.15Å; F581-Q583 VanDerWaalsContact C-N 3.31Å; F581-Q583 PolarHBondContact O-N 3.01Å
584	S	64.1	Low	73.8	Confident	23 Å²	23	66.2 Å²	66.2	16%	0.161	33%	0.332	C	S	.	.	S	Bend	trans	-71	141.8	176	175	0	0	0	0	111.4	R582 S586 S587 Y590	R582-S584 VanDerWaalsContact C-N 3.34Å; S584-S586 PolarHBondContact O-N 3.2Å; S584-S586 PolarHBondContact OG-N 3.47Å; S584-S586 VanDerWaalsContact OG-N 3.14Å; S584-S586 PolarHBondContact OG-OG 2.89Å; S584-S587 VanDerWaalsContact O-CB 3.27Å; S584-S587 WeakPolarHBondContact O-CB 3.27Å; S584-S587 PolarHBondContact O-N 3.46Å; S584-Y590 WeakPolarHBondContact CB-OH 3.47Å
585	S	58.2	Low	75.6	Confident	126 Å²	126	56.4 Å²	56.4	88%	0.881	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.7	172	60.9	0	0	0	0	113.2
586	S	74	Confident	76.5	Confident	28 Å²	28	49.5 Å²	49.5	20%	0.196	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	2.7	176.9	58.8	0	0	0	0	113.9	S584 S588 M589 Y590	S584-S586 PolarHBondContact O-N 3.2Å; S584-S586 PolarHBondContact OG-N 3.47Å; S584-S586 VanDerWaalsContact OG-N 3.14Å; S584-S586 PolarHBondContact OG-OG 2.89Å; S586-S588 PolarHBondContact O-N 3.19Å; S586-M589 WeakPolarHBondContact O-CB 3.48Å; S586-M589 PolarHBondContact O-N 3.29Å; S586-Y590 WeakPolarHBondContact O-CE1 3.46Å
587	S	78.9	Confident	76.2	Confident	17 Å²	17	48.5 Å²	48.5	12%	0.119	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-57.2	-27.6	-176.2	-172.3	0	0	0	0	113.5	S584 M589 Y590 H591	S584-S587 VanDerWaalsContact O-CB 3.27Å; S584-S587 WeakPolarHBondContact O-CB 3.27Å; S584-S587 PolarHBondContact O-N 3.46Å; S587-M589 PolarHBondContact O-N 3.4Å; S587-Y590 PolarHBondContact O-N 3.17Å; S587-H591 VanDerWaalsContact O-CB 3.28Å; S587-H591 WeakPolarHBondContact O-CB 3.22Å; S587-H591 PolarHBondContact O-N 2.83Å
588	S	83.4	Confident	75.3	Confident	85 Å²	85	48.6 Å²	48.6	59%	0.594	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.6	176.5	56	0	0	0	0	113.9	I441 S586	I441-S588 WeakPolarHBondContact CD1-O 3.33Å; S586-S588 PolarHBondContact O-N 3.19Å
589	M	88.3	Confident	73.7	Confident	105 Å²	105	54.1 Å²	54.1	52%	0.517	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-80.9	-21.5	179.7	-68	-174.8	169.6	0	0	113.3	I441 A446 S586 S587	I441-M589 WeakPolarHBondContact CG2-O 3.45Å; A446-M589 WeakPolarHBondContact CA-O 3.44Å; S586-M589 WeakPolarHBondContact O-CB 3.48Å; S586-M589 PolarHBondContact O-N 3.29Å; S587-M589 PolarHBondContact O-N 3.4Å
590	Y	92.9	Very high	72	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	1.3	-172.2	62	-112.4	0	0	0	114.7	Y370 G415 G416 V417 A446 W450 E453 F581 S584 S586 S587	Y370-Y590 VanDerWaalsContact CE2-O 3.23Å; Y370-Y590 WeakPolarHBondContact CE2-O 3.38Å; Y370-Y590 PolarHBondContact OH-O 3.1Å; Y370-Y590 VanDerWaalsContact OH-O 3.13Å; G415-Y590 VanDerWaalsContact O-CE2 3.3Å; G415-Y590 WeakPolarHBondContact O-CE2 3.4Å; G416-Y590 CarbonylContact C-O 3.53Å; G416-Y590 WeakPolarHBondContact CA-O 3.36Å; V417-Y590 PolarHBondContact N-O 3.16Å; V417-Y590 CarbonylContact O-C 3.52Å; A446-Y590 WeakPolarHBondContact O-CB 3.4Å; W450-Y590 HydrophobicContact CB-CD1 4.22Å; W450-Y590 HydrophobicContact CB-CD2 4.22Å; W450-Y590 HydrophobicContact CB-CG 3.82Å; W450-Y590 AromaticContact CD1-CD2 3.8Å; W450-Y590 HydrophobicContact CG-CD2 4.43Å; W450-Y590 HydrophobicContact CG-CG 4.49Å; E453-Y590 HydrophobicContact CB-CE1 4.24Å; E453-Y590 HydrophobicContact CG-CE1 4.48Å; F581-Y590 HydrophobicContact CB-CE2 4.12Å; F581-Y590 PolarHBondContact O-OH 3.42Å; S584-Y590 WeakPolarHBondContact CB-OH 3.47Å; S586-Y590 WeakPolarHBondContact O-CE1 3.46Å; S587-Y590 PolarHBondContact O-N 3.17Å
591	H	94.8	Very high	70.5	Confident	39 Å²	39	59 Å²	59	18%	0.181	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	87.3	166.6	-169.8	107.6	0	0	0	107	L411 A414 V417 S587	L411-H591 PolarHBondContact O-CE1 2.98Å; A414-H591 PolarHBondContact O-CE1 3.33Å; A414-H591 PolarHBondContact O-ND1 3.46Å; V417-H591 CarbonylContact O-C 3.52Å; V417-H591 WeakPolarHBondContact O-CA 3.48Å; S587-H591 VanDerWaalsContact O-CB 3.28Å; S587-H591 WeakPolarHBondContact O-CB 3.22Å; S587-H591 PolarHBondContact O-N 2.83Å
592	V	92.1	Very high	68.7	Low	16 Å²	16	66.5 Å²	66.5	10%	0.097	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	112.5	-173.7	-166.5	0	0	0	0	108.4	V417 F418 A419 I438 I441	V417-V592 PolarHBondContact O-N 2.91Å; F418-V592 CarbonylContact C-O 3.57Å; F418-V592 WeakPolarHBondContact CA-O 3.37Å; A419-V592 PolarHBondContact N-O 2.61Å; I438-V592 HydrophobicContact CB-CG1 3.65Å; I438-V592 HydrophobicContact CD1-CB 4.32Å; I438-V592 HydrophobicContact CD1-CG1 3.89Å; I438-V592 HydrophobicContact CG1-CG1 4.39Å; I438-V592 HydrophobicContact CG2-CG1 3.54Å; I441-V592 HydrophobicContact CB-CG2 4.37Å; I441-V592 HydrophobicContact CD1-CG1 4.44Å; I441-V592 HydrophobicContact CD1-CG2 3.59Å; I441-V592 HydrophobicContact CG2-CG2 4.06Å
593	I	92.1	Very high	66.8	Low	42 Å²	42	62.6 Å²	62.6	22%	0.215	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.3	173.1	-61	169.7	0	0	0	105.8	L375 A408 L411 Q412 V417 A419	L375-I593 HydrophobicContact CD1-CG2 4.38Å; L375-I593 HydrophobicContact CD2-CG2 4.23Å; A408-I593 HydrophobicContact CB-CG2 3.88Å; L411-I593 HydrophobicContact CB-CD1 3.7Å; L411-I593 HydrophobicContact CB-CG1 4.42Å; Q412-I593 HydrophobicContact CG-CD1 4.35Å; V417-I593 HydrophobicContact CB-CG1 4.44Å; V417-I593 HydrophobicContact CG1-CD1 4.39Å; V417-I593 HydrophobicContact CG1-CG1 3.76Å; A419-I593 HydrophobicContact CB-CB 4.47Å; A419-I593 HydrophobicContact CB-CG1 4.22Å; A419-I593 HydrophobicContact CB-CG2 4.28Å
594	D	89.2	Confident	65.3	Low	17 Å²	17	62.9 Å²	62.9	9%	0.091	38%	0.376	C	S	.	.			trans	-66.3	143.6	179	-160.1	-8.6	0	0	0	110.5	L375 A419 S421 I438 C596 N655	L375-D594 HydrophobicContact CD1-CB 4.4Å; L375-D594 WeakPolarHBondContact CD1-O 3.18Å; A419-D594 WeakPolarHBondContact O-CB 3.21Å; A419-D594 PolarHBondContact O-N 2.78Å; S421-D594 WeakPolarHBondContact CB-OD2 3.29Å; S421-D594 PolarHBondContact N-OD2 2.9Å; I438-D594 HydrophobicContact CD1-CB 4.05Å; I438-D594 HydrophobicContact CG1-CB 4.08Å; I438-D594 HydrophobicContact CG2-CB 3.97Å; D594-C596 PolarHBondContact OD1-N 3.15Å; D594-C596 VanDerWaalsContact OD1-N 3.16Å; D594-N655 VanDerWaalsContact OD2-CB 3.24Å; D594-N655 WeakPolarHBondContact OD2-CB 3.39Å; D594-N655 PolarHBondContact OD2-ND2 3.43Å
595	S	78.5	Confident	63.7	Low	38 Å²	38	69.1 Å²	69.1	27%	0.266	40%	0.402	S	S	.	.			trans	-118.6	-22.1	-179.1	64.6	0	0	0	0	112.2	G597 L598	S595-G597 PolarHBondContact O-N 3.41Å; S595-G597 PolarHBondContact OG-N 3.04Å; S595-L598 PolarHBondContact O-N 3.3Å; S595-L598 VanDerWaalsContact O-N 3.12Å
596	C	68.1	Low	62.5	Low	19 Å²	19	64.3 Å²	64.3	13%	0.128	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	39.8	27.6	-165.1	-70.4	0	0	0	0	115.5	D594 C654 M703	D594-C596 PolarHBondContact OD1-N 3.15Å; D594-C596 VanDerWaalsContact OD1-N 3.16Å; C596-C654 HydrophobicContact CB-CB 3.61Å; C596-C654 WeakPolarHBondContact CB-SG 3.48Å; C596-C654 VanDerWaalsContact SG-C 3.58Å; C596-C654 WeakPolarHBondContact SG-CB 3.18Å; C596-C654 CovalentContact SG-SG 1.98Å; C596-C654 PolarHBondContact SG-SG 3.41Å; C596-M703 HydrophobicContact CB-CE 4.02Å
597	G	56.2	Low	60.7	Low	20 Å²	20	66 Å²	66	21%	0.206	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	29.4	178.5	0	0	0	0	0	117.2	S595 A607	S595-G597 PolarHBondContact O-N 3.41Å; S595-G597 PolarHBondContact OG-N 3.04Å; G597-A607 WeakPolarHBondContact O-CA 3.04Å
598	L	50.5	Low	58.8	Low	48 Å²	48	67.4 Å²	67.4	25%	0.251	39%	0.391	S	S	.	.			trans	-96.3	103	170.7	-66.7	177.7	0	0	0	112.9	S595 I647 L650	S595-L598 PolarHBondContact O-N 3.3Å; S595-L598 VanDerWaalsContact O-N 3.12Å; L598-I647 WeakPolarHBondContact CD2-O 3.48Å; L598-L650 HydrophobicContact CD1-CB 3.53Å; L598-L650 HydrophobicContact CD1-CD1 3.81Å; L598-L650 HydrophobicContact CD1-CG 4.27Å
599	F	41.3	Very low	56.8	Low	117 Å²	117	68.9 Å²	68.9	51%	0.513	39%	0.392	S	S	.	.			trans	-140.9	139.7	162.2	-75.6	-92.5	0	0	0	110.7	Q605 G606	F599-Q605 WeakPolarHBondContact CD2-O 3.29Å; F599-Q605 WeakPolarHBondContact CE1-O 3.35Å; F599-Q605 WeakPolarHBondContact CE2-O 3.34Å; F599-Q605 WeakPolarHBondContact CZ-O 3.12Å; F599-G606 WeakPolarHBondContact CD2-O 3.29Å; F599-G606 VanDerWaalsContact CE2-N 3.29Å
600	S	34.5	Very low	55	Low	86 Å²	86	66.8 Å²	66.8	60%	0.601	39%	0.387	S	S	*	.			trans	-96.4	165	168.4	-174.3	0	0	0	0	110.9	D602	S600-D602 VanDerWaalsContact C-N 3.29Å; S600-D602 PolarHBondContact O-N 3.33Å
601	I	37	Very low	52.6	Low	125 Å²	125	74.5 Å²	74.5	64%	0.641	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-6.9	-149.5	-75.1	164.1	0	0	0	118	G603 P645	I601-G603 PolarHBondContact O-N 3.03Å; I601-P645 HydrophobicContact CD1-CG 4.16Å
602	D	35	Very low	49.9	Very low	160 Å²	160	80.1 Å²	80.1	86%	0.856	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	8	-172	-65.4	-23.6	0	0	0	116.1	S600	S600-D602 VanDerWaalsContact C-N 3.29Å; S600-D602 PolarHBondContact O-N 3.33Å
603	G	30.5	Very low	47.2	Very low	58 Å²	58	84.4 Å²	84.4	60%	0.598	47%	0.473	S	S	*	.			trans	70	143.2	173.5	0	0	0	0	0	113.4	I601	I601-G603 PolarHBondContact O-N 3.03Å
604	I	31.7	Very low	44.2	Very low	151 Å²	151	87.8 Å²	87.8	77%	0.774	50%	0.498	S	S	*	.	S	Bend	cis	-147.8	128.5	34.4	-69.5	164.3	0	0	0	107.6
605	Q	30.8	Very low	41.4	Very low	155 Å²	155	93 Å²	93	72%	0.724	53%	0.526	S	S	*	.	S	Bend	trans	62.2	112.3	177.9	-66.4	176.4	-11.8	0	0	116.5	F599	F599-Q605 WeakPolarHBondContact CD2-O 3.29Å; F599-Q605 WeakPolarHBondContact CE1-O 3.35Å; F599-Q605 WeakPolarHBondContact CE2-O 3.34Å; F599-Q605 WeakPolarHBondContact CZ-O 3.12Å
606	G	33	Very low	38.9	Very low	24 Å²	24	98.7 Å²	98.7	25%	0.247	55%	0.553	C	S	.	*			cis	179.9	145.3	-4.8	0	0	0	0	0	108.1	F599	F599-G606 WeakPolarHBondContact CD2-O 3.29Å; F599-G606 VanDerWaalsContact CE2-N 3.29Å
607	A	35.3	Very low	37.1	Very low	65 Å²	65	103.2 Å²	103.2	54%	0.537	58%	0.576	S	S	.	*	S	Bend	trans	-40.6	153.8	150.7	0	0	0	0	0	108.9	G597 L609	G597-A607 WeakPolarHBondContact O-CA 3.04Å; A607-L609 PolarHBondContact O-N 3.19Å
608	Y	39.7	Very low	35.7	Very low	45 Å²	45	108.5 Å²	108.5	18%	0.176	61%	0.605	C	S	.	*	S	Bend	trans	-36.2	116	178.2	-171.3	-76.3	0	0	0	107.9	C610 E700 M703 R704 C708	Y608-C610 PolarHBondContact O-N 2.83Å; Y608-C610 PolarHBondContact O-SG 2.85Å; Y608-E700 WeakPolarHBondContact OH-CG 3.45Å; Y608-E700 PolarHBondContact OH-OE1 2.94Å; Y608-M703 HydrophobicContact CD2-CB 4.41Å; Y608-M703 HydrophobicContact CE2-CB 4.05Å; Y608-R704 HydrophobicContact CD1-CG 4.18Å; Y608-R704 HydrophobicContact CE1-CG 3.3Å; Y608-R704 HydrophobicContact CE2-CG 4.48Å; Y608-R704 VanDerWaalsContact CZ-CG 3.48Å; Y608-R704 WeakPolarHBondContact OH-CG 3.14Å; Y608-R704 PolarHBondContact OH-NE 3.09Å; Y608-C708 WeakPolarHBondContact CD1-SG 3.45Å
609	L	41.7	Very low	34.6	Very low	117 Å²	117	111.1 Å²	111.1	61%	0.613	63%	0.627	S	S	*	*			trans	-64.7	89.7	-174.6	-86.9	161.3	0	0	0	105.7	A607 K611	A607-L609 PolarHBondContact O-N 3.19Å; L609-K611 PolarHBondContact O-N 2.9Å
610	C	49.5	Very low	33.8	Very low	60 Å²	60	114.5 Å²	114.5	41%	0.405	64%	0.641	S	S	.	*			trans	-73.1	70.6	174.8	-51.8	0	0	0	0	105.6	Y608 N612 C708	Y608-C610 PolarHBondContact O-N 2.83Å; Y608-C610 PolarHBondContact O-SG 2.85Å; C610-N612 PolarHBondContact O-N 3.36Å; C610-C708 HydrophobicContact CB-CB 3.68Å; C610-C708 WeakPolarHBondContact CB-SG 3.36Å; C610-C708 WeakPolarHBondContact SG-CA 2.8Å; C610-C708 WeakPolarHBondContact SG-CB 3.28Å; C610-C708 CovalentContact SG-SG 2.03Å; C610-C708 PolarHBondContact SG-SG 3.03Å
611	K	43.1	Very low	33.3	Very low	163 Å²	163	116.9 Å²	116.9	71%	0.709	65%	0.647	S	S	*	*			trans	-64	120.3	163.7	-86.3	-172.4	174.7	-178	0	105.5	L609 I613	L609-K611 PolarHBondContact O-N 2.9Å; K611-I613 VanDerWaalsContact C-N 3.32Å; K611-I613 PolarHBondContact O-N 3.11Å
612	N	37.7	Very low	32.7	Very low	156 Å²	156	117 Å²	117	83%	0.834	65%	0.649	S	S	*	*			trans	-58.3	100.7	164.8	-66.7	-18.6	0	0	0	106.7	C610	C610-N612 PolarHBondContact O-N 3.36Å
613	I	36	Very low	32.1	Very low	106 Å²	106	115.5 Å²	115.5	54%	0.544	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-74.2	128.9	155.7	-61.6	-179.3	0	0	0	103.8	K611 N615	K611-I613 VanDerWaalsContact C-N 3.32Å; K611-I613 PolarHBondContact O-N 3.11Å; I613-N615 PolarHBondContact O-N 2.91Å; I613-N615 VanDerWaalsContact O-N 3.15Å
614	P	29.1	Very low	31.9	Very low	114 Å²	114	120.4 Å²	120.4	74%	0.74	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-51.8	126.8	177.4	-19.9	29.9	0	0	0	108.1	D616	P614-D616 PolarHBondContact O-N 3.35Å; P614-D616 VanDerWaalsContact O-N 3.15Å
615	N	30.7	Very low	31.5	Very low	126 Å²	126	118.2 Å²	118.2	67%	0.674	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-51.3	126.3	173.7	-73.6	-8.8	0	0	0	108	I613 D617	I613-N615 PolarHBondContact O-N 2.91Å; I613-N615 VanDerWaalsContact O-N 3.15Å; N615-D617 HydrophobicContact CB-CB 4.04Å; N615-D617 VanDerWaalsContact CB-OD2 3.29Å; N615-D617 WeakPolarHBondContact CB-OD2 3.45Å; N615-D617 PolarHBondContact ND2-OD2 3.1Å; N615-D617 PolarHBondContact O-N 2.86Å
616	D	26	Very low	31.2	Very low	157 Å²	157	119.8 Å²	119.8	84%	0.84	66%	0.656	S	S	*	*			trans	-66.1	58.7	151.7	-96.4	-27.1	0	0	0	108.1	P614 T618	P614-D616 PolarHBondContact O-N 3.35Å; P614-D616 VanDerWaalsContact O-N 3.15Å; D616-T618 PolarHBondContact O-N 2.97Å
617	D	30.7	Very low	30.8	Very low	114 Å²	114	126.1 Å²	126.1	61%	0.61	68%	0.684	S	S	*	*			trans	-80.3	86.5	164	-78.9	-30.3	0	0	0	105.8	N615 S619	N615-D617 HydrophobicContact CB-CB 4.04Å; N615-D617 VanDerWaalsContact CB-OD2 3.29Å; N615-D617 WeakPolarHBondContact CB-OD2 3.45Å; N615-D617 PolarHBondContact ND2-OD2 3.1Å; N615-D617 PolarHBondContact O-N 2.86Å; D617-S619 PolarHBondContact O-N 3.4Å
618	T	25.4	Very low	30.2	Very low	132 Å²	132	133.5 Å²	133.5	81%	0.81	70%	0.704	S	S	*	*			trans	-63.1	53.3	153	43.2	0	0	0	0	110	D616 K620	D616-T618 PolarHBondContact O-N 2.97Å; T618-K620 VanDerWaalsContact C-N 3.31Å; T618-K620 PolarHBondContact O-N 3.45Å
619	S	27.5	Very low	29.6	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	72%	0.724	S	S	*	*			trans	-86	84.3	160.9	70.1	0	0	0	0	107.5	D617 N621	D617-S619 PolarHBondContact O-N 3.4Å; S619-N621 PolarHBondContact O-N 2.91Å
620	K	25.9	Very low	28.7	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	74%	0.737	S	S	*	*			trans	-48.3	130.1	159	-79.4	174.6	172.7	174.2	0	108.8	T618	T618-K620 VanDerWaalsContact C-N 3.31Å; T618-K620 PolarHBondContact O-N 3.45Å
621	N	23.8	Very low	27.5	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	76%	0.755	S	S	*	*			trans	45.9	117.5	142.9	-70.1	-3.3	0	0	0	115.5	S619	S619-N621 PolarHBondContact O-N 2.91Å
622	N	22.9	Very low	26.6	Very low	126 Å²	126	141.3 Å²	141.3	67%	0.674	76%	0.759	S	S	*	*				172.3	152.4	55.6	-110.2	-13.2	0	0	0	107.3
623	N	23.6	Very low	25.8	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	76%	0.757	S	S	*	*			trans	64.4	91.7	151.9	-57.8	-14.3	0	0	0	117.8
624	N	25.6	Very low	25.1	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	77%	0.765	S	S	*	*				-169.5	108.1	99.2	-93.6	-26.1	0	0	0	111.8	K626	N624-K626 PolarHBondContact O-N 3.21Å
625	S	23.5	Very low	24.8	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	77%	0.77	S	S	*	*			trans	-61.5	117.8	157.7	140.5	0	0	0	0	109
626	K	23.9	Very low	24.6	Very low	187 Å²	187	149.5 Å²	149.5	81%	0.813	78%	0.782	S	S	*	*			trans	162.1	95	136.7	-90.7	167.8	-175	-178.7	0	109.1	N624	N624-K626 PolarHBondContact O-N 3.21Å
627	N	25.7	Very low	24.6	Very low	157 Å²	157	146.8 Å²	146.8	84%	0.84	77%	0.771	S	S	*	*			trans	-178	87.5	135.1	-90.4	-14	0	0	0	108.5	S629	N627-S629 PolarHBondContact O-N 3.47Å
628	K	22.6	Very low	24.3	Very low	220 Å²	220	148.6 Å²	148.6	96%	0.957	78%	0.781	S	S	*	*			trans	-71	98.2	157.1	-78.2	178.1	175	176.9	0	106.7
629	S	26	Very low	24.2	Very low	85 Å²	85	148.7 Å²	148.7	59%	0.594	78%	0.777	S	S	*	*			trans	-127.4	109.4	157.3	54.3	0	0	0	0	109	N627 I631	N627-S629 PolarHBondContact O-N 3.47Å; S629-I631 PolarHBondContact O-N 3.34Å
630	T	22.8	Very low	24.2	Very low	143 Å²	143	149.6 Å²	149.6	88%	0.877	78%	0.78	S	S	*	*			trans	-50.9	96.3	163.8	10	0	0	0	0	109.4	Q632	T630-Q632 PolarHBondContact O-N 3.29Å
631	I	25.7	Very low	24.2	Very low	155 Å²	155	148 Å²	148	80%	0.795	78%	0.78	S	S	*	*			trans	-92.7	93.9	165.8	-61	178.4	0	0	0	106.6	S629 S633	S629-I631 PolarHBondContact O-N 3.34Å; I631-S633 PolarHBondContact O-N 2.87Å
632	Q	22.4	Very low	24.4	Very low	167 Å²	167	151.4 Å²	151.4	78%	0.78	79%	0.788	S	S	*	*			trans	-53.6	127.1	165.2	-81.2	171.9	-28.7	0	0	109.4	T630 N634	T630-Q632 PolarHBondContact O-N 3.29Å; Q632-N634 PolarHBondContact O-N 3.03Å
633	S	22.7	Very low	24.6	Very low	114 Å²	114	152.2 Å²	152.2	80%	0.797	78%	0.783	S	S	*	*			trans	-64.5	91.4	171	54.2	0	0	0	0	110.3	I631	I631-S633 PolarHBondContact O-N 2.87Å
634	N	20.7	Very low	24.7	Very low	134 Å²	134	151.6 Å²	151.6	72%	0.717	78%	0.784	S	S	*	*			trans	-149.9	94.6	165.6	-93.7	-18.7	0	0	0	107.4	Q632	Q632-N634 PolarHBondContact O-N 3.03Å
635	Y	23.5	Very low	25	Very low	212 Å²	212	147.3 Å²	147.3	83%	0.831	77%	0.765	S	S	*	*			trans	-175	72.1	148	-90.1	-63.9	0	0	0	108	T637	Y635-T637 HydrophobicContact CD1-CG2 3.69Å; Y635-T637 HydrophobicContact CE1-CG2 4.23Å; Y635-T637 PolarHBondContact O-N 3.17Å
636	F	25.4	Very low	25.5	Very low	213 Å²	213	144.6 Å²	144.6	93%	0.934	75%	0.748	S	S	*	*			trans	-83.2	75.3	148.9	-85.5	-79.3	0	0	0	107	N638	F636-N638 PolarHBondContact O-N 3.5Å
637	T	25.1	Very low	26.3	Very low	100 Å²	100	139 Å²	139	61%	0.613	73%	0.727	S	S	*	*			trans	-80.5	110	162	39.4	0	0	0	0	107.5	Y635 N639	Y635-T637 HydrophobicContact CD1-CG2 3.69Å; Y635-T637 HydrophobicContact CE1-CG2 4.23Å; Y635-T637 PolarHBondContact O-N 3.17Å; T637-N639 PolarHBondContact O-N 3Å
638	N	24.8	Very low	27.4	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	71%	0.712	S	S	*	*			trans	-58	80.3	170	-74.9	-25.5	0	0	0	110.5	F636	F636-N638 PolarHBondContact O-N 3.5Å
639	N	24.6	Very low	29.2	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	68%	0.676	S	S	*	*			trans	-92.9	116.1	152.7	-89.1	-8.2	0	0	0	106.4	T637 L641	T637-N639 PolarHBondContact O-N 3Å; N639-L641 PolarHBondContact O-N 2.95Å
640	P	26.7	Very low	31.3	Very low	121 Å²	121	123.9 Å²	123.9	79%	0.786	65%	0.649	S	S	*	*			trans	-69.5	85	169.1	29.2	-28.7	0	0	0	106.3	K642	P640-K642 VanDerWaalsContact C-N 3.31Å; P640-K642 PolarHBondContact O-N 3.19Å
641	L	27.1	Very low	34	Very low	154 Å²	154	117.9 Å²	117.9	81%	0.806	61%	0.611	S	S	*	*			trans	-56.9	106.2	162.4	-93.2	158.4	0	0	0	105.5	N639 Y643	N639-L641 PolarHBondContact O-N 2.95Å; L641-Y643 PolarHBondContact O-N 3.43Å
642	K	26	Very low	36.9	Very low	209 Å²	209	110.5 Å²	110.5	91%	0.909	57%	0.573	S	S	*	*			trans	-66.5	54.5	176.1	-157	-179.2	-171	-178.1	0	109.8	P640	P640-K642 VanDerWaalsContact C-N 3.31Å; P640-K642 PolarHBondContact O-N 3.19Å
643	Y	27.6	Very low	40	Very low	142 Å²	142	103 Å²	103	56%	0.557	54%	0.538	S	S	*	.			trans	-102.4	90.2	170.2	-142	-90.9	0	0	0	105.6	L641 P645 S718	L641-Y643 PolarHBondContact O-N 3.43Å; Y643-P645 WeakPolarHBondContact O-CD 3.42Å; Y643-P645 VanDerWaalsContact O-N 3.14Å; Y643-S718 VanDerWaalsContact OH-CB 3.26Å; Y643-S718 WeakPolarHBondContact OH-CB 3.48Å; Y643-S718 PolarHBondContact OH-OG 2.92Å
644	T	26.2	Very low	43	Very low	116 Å²	116	97.8 Å²	97.8	71%	0.712	50%	0.502	S	S	*	.			trans	-56.7	113.5	158.9	43.8	0	0	0	0	106	A646	T644-A646 VanDerWaalsContact C-N 3.27Å; T644-A646 PolarHBondContact O-N 3.27Å
645	P	32.9	Very low	46.2	Very low	72 Å²	72	91.6 Å²	91.6	47%	0.468	47%	0.468	S	S	.	.			trans	-68.1	96.5	176.6	-7.2	23.4	0	0	0	106.3	I601 Y643 I647	I601-P645 HydrophobicContact CD1-CG 4.16Å; Y643-P645 WeakPolarHBondContact O-CD 3.42Å; Y643-P645 VanDerWaalsContact O-N 3.14Å; P645-I647 PolarHBondContact O-N 3.25Å
646	A	33.9	Very low	49.1	Very low	48 Å²	48	85.3 Å²	85.3	40%	0.397	45%	0.453	S	S	.	.			trans	-72.4	70.9	169.9	0	0	0	0	0	108.6	T644 L722	T644-A646 VanDerWaalsContact C-N 3.27Å; T644-A646 PolarHBondContact O-N 3.27Å; A646-L722 HydrophobicContact CB-CD1 4.33Å
647	I	40.7	Very low	52.2	Low	70 Å²	70	76.7 Å²	76.7	36%	0.359	42%	0.418	S	S	.	.			trans	-144.1	64.5	161.1	-48.9	-179.7	0	0	0	107.5	L598 P645 H649 F707	L598-I647 WeakPolarHBondContact CD2-O 3.48Å; P645-I647 PolarHBondContact O-N 3.25Å; I647-H649 HydrophobicContact CG2-CB 4.36Å; I647-H649 PolarHBondContact O-N 3.4Å; I647-H649 VanDerWaalsContact O-N 3.17Å; I647-F707 HydrophobicContact CG2-CE1 3.92Å
648	D	48.2	Very low	55.3	Low	100 Å²	100	73 Å²	73	54%	0.535	40%	0.396	S	S	.	.			trans	-77	19.8	171.4	-87.7	-26.7	0	0	0	111.9	K405 L650	K405-D648 WeakPolarHBondContact CE-O 3.43Å; K405-D648 PolarHBondContact NZ-O 3.21Å; D648-L650 PolarHBondContact O-N 3.03Å
649	H	61.3	Low	58.2	Low	40 Å²	40	66.9 Å²	66.9	19%	0.185	37%	0.37	C	S	.	.			trans	-97	103.6	-159.7	-71.8	-48.9	0	0	0	113.1	Q401 I647 I651	Q401-H649 PolarHBondContact OE1-ND1 2.98Å; I647-H649 HydrophobicContact CG2-CB 4.36Å; I647-H649 PolarHBondContact O-N 3.4Å; I647-H649 VanDerWaalsContact O-N 3.17Å; H649-I651 VanDerWaalsContact O-CG1 3.31Å; H649-I651 WeakPolarHBondContact O-CG1 3.26Å; H649-I651 PolarHBondContact O-N 2.92Å
650	L	69.7	Low	60.9	Low	5 Å²	5	69.5 Å²	69.5	3%	0.026	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.1	128.9	176.5	-178.7	72.3	0	0	0	107.6	L375 F376 Q401 G404 K405 L598 D648 P652	L375-L650 HydrophobicContact CB-CD2 4.14Å; L375-L650 HydrophobicContact CD1-CD1 4.22Å; L375-L650 HydrophobicContact CD1-CD2 3.74Å; F376-L650 HydrophobicContact CE1-CD2 4.41Å; F376-L650 HydrophobicContact CE2-CD2 3.62Å; F376-L650 HydrophobicContact CE2-CG 3.78Å; F376-L650 HydrophobicContact CZ-CB 4.15Å; F376-L650 HydrophobicContact CZ-CD2 3.46Å; F376-L650 VanDerWaalsContact CZ-CD2 3.46Å; F376-L650 HydrophobicContact CZ-CG 3.57Å; Q401-L650 VanDerWaalsContact CG-O 3.23Å; Q401-L650 WeakPolarHBondContact CG-O 3.05Å; Q401-L650 PolarHBondContact NE2-O 3.31Å; G404-L650 VanDerWaalsContact C-CD2 3.48Å; K405-L650 HydrophobicContact CG-CB 4.27Å; L598-L650 HydrophobicContact CD1-CB 3.53Å; L598-L650 HydrophobicContact CD1-CD1 3.81Å; L598-L650 HydrophobicContact CD1-CG 4.27Å; D648-L650 PolarHBondContact O-N 3.03Å; L650-P652 WeakPolarHBondContact O-CD 3.27Å
651	I	79.9	Confident	63.5	Low	17 Å²	17	64.4 Å²	64.4	9%	0.087	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-99	120.5	-171.4	-58.8	-171.2	0	0	0	109.2	S421 H649 Q653 C654 L669 M703 F707	S421-I651 PolarHBondContact OG-O 3.46Å; H649-I651 VanDerWaalsContact O-CG1 3.31Å; H649-I651 WeakPolarHBondContact O-CG1 3.26Å; H649-I651 PolarHBondContact O-N 2.92Å; I651-Q653 PolarHBondContact O-N 3.47Å; I651-C654 HydrophobicContact CB-CB 3.97Å; I651-C654 HydrophobicContact CG2-CB 4.05Å; I651-C654 PolarHBondContact O-SG 3.33Å; I651-L669 HydrophobicContact CG2-CD1 3.8Å; I651-L669 HydrophobicContact CG2-CD2 4.03Å; I651-M703 HydrophobicContact CB-CE 4.43Å; I651-M703 HydrophobicContact CD1-CE 3.97Å; I651-M703 HydrophobicContact CD1-SD 4.19Å; I651-M703 HydrophobicContact CG2-SD 4.18Å; I651-F707 HydrophobicContact CD1-CD2 4.39Å; I651-F707 HydrophobicContact CD1-CE1 4.13Å; I651-F707 HydrophobicContact CD1-CE2 3.2Å; I651-F707 HydrophobicContact CD1-CZ 3.06Å; I651-F707 HydrophobicContact CG1-CZ 4.44Å
652	P	86.5	Confident	65.6	Low	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	139.6	168.1	-19.6	29	0	0	0	110.4	F376 L388 W397 I400 L650 C654	F376-P652 HydrophobicContact CD1-CB 4.1Å; F376-P652 HydrophobicContact CD1-CG 3.84Å; F376-P652 HydrophobicContact CD2-CB 4.04Å; F376-P652 HydrophobicContact CD2-CG 4.44Å; F376-P652 HydrophobicContact CE1-CB 4.2Å; F376-P652 HydrophobicContact CE1-CG 3.58Å; F376-P652 HydrophobicContact CE2-CB 4.15Å; F376-P652 HydrophobicContact CE2-CG 4.23Å; F376-P652 HydrophobicContact CG-CB 3.99Å; F376-P652 HydrophobicContact CG-CG 4.24Å; F376-P652 HydrophobicContact CZ-CB 4.2Å; F376-P652 HydrophobicContact CZ-CG 3.77Å; L388-P652 HydrophobicContact CD1-CB 4.04Å; L388-P652 HydrophobicContact CD1-CG 3.95Å; L388-P652 HydrophobicContact CD2-CB 3.72Å; W397-P652 HydrophobicContact CH2-CG 4.02Å; W397-P652 HydrophobicContact CZ3-CG 4.13Å; I400-P652 HydrophobicContact CG2-CG 3.69Å; L650-P652 WeakPolarHBondContact O-CD 3.27Å; P652-C654 PolarHBondContact O-N 3.25Å
653	Q	87.4	Confident	67.7	Low	9 Å²	9	54.5 Å²	54.5	4%	0.042	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	22.6	168.8	-74.7	-79.4	-6.3	0	0	115	L388 S421 L423 I651 C658 L661	L388-Q653 HydrophobicContact CD2-CG 4.38Å; S421-Q653 WeakPolarHBondContact O-CA 3.48Å; S421-Q653 PolarHBondContact O-N 2.66Å; L423-Q653 HydrophobicContact CB-CG 3.63Å; L423-Q653 PolarHBondContact O-NE2 3.01Å; I651-Q653 PolarHBondContact O-N 3.47Å; Q653-C658 PolarHBondContact OE1-SG 3.05Å; Q653-L661 HydrophobicContact CB-CD1 4.13Å; Q653-L661 HydrophobicContact CG-CD1 3.74Å; Q653-L661 HydrophobicContact CG-CD2 3.99Å; Q653-L661 HydrophobicContact CG-CG 4.18Å
654	C	85.1	Confident	69.5	Low	5 Å²	5	53.9 Å²	53.9	3%	0.034	31%	0.314	C	S	.	.			trans	-81.7	-18.7	176.7	56.2	0	0	0	0	113.9	S421 C596 I651 P652 M703	S421-C654 WeakPolarHBondContact CB-SG 3.39Å; S421-C654 PolarHBondContact O-N 3.37Å; S421-C654 PolarHBondContact OG-SG 3.46Å; C596-C654 HydrophobicContact CB-CB 3.61Å; C596-C654 WeakPolarHBondContact CB-SG 3.48Å; C596-C654 VanDerWaalsContact SG-C 3.58Å; C596-C654 WeakPolarHBondContact SG-CB 3.18Å; C596-C654 CovalentContact SG-SG 1.98Å; C596-C654 PolarHBondContact SG-SG 3.41Å; I651-C654 HydrophobicContact CB-CB 3.97Å; I651-C654 HydrophobicContact CG2-CB 4.05Å; I651-C654 PolarHBondContact O-SG 3.33Å; P652-C654 PolarHBondContact O-N 3.25Å; C654-M703 HydrophobicContact CB-CE 3.54Å; C654-M703 HydrophobicContact CB-CG 3.92Å; C654-M703 HydrophobicContact CB-SD 3.46Å; C654-M703 WeakPolarHBondContact CB-SD 3.26Å
655	N	87.6	Confident	71.8	Confident	3 Å²	3	56 Å²	56	2%	0.016	32%	0.315	C	S	.	.	S	Bend	trans	-71.1	129.1	177.6	-176.7	-54.4	0	0	0	110.1	M437 D594 T657 C658	M437-N655 PolarHBondContact O-ND2 3.07Å; M437-N655 PolarHBondContact O-OD1 3.15Å; D594-N655 VanDerWaalsContact OD2-CB 3.24Å; D594-N655 WeakPolarHBondContact OD2-CB 3.39Å; D594-N655 PolarHBondContact OD2-ND2 3.43Å; N655-T657 PolarHBondContact O-N 2.97Å; N655-T657 VanDerWaalsContact O-N 3.14Å; N655-T657 WeakPolarHBondContact OD1-CA 3.47Å; N655-T657 WeakPolarHBondContact OD1-CB 3.19Å; N655-T657 PolarHBondContact OD1-N 3.25Å; N655-T657 PolarHBondContact OD1-OG1 3.26Å; N655-C658 VanDerWaalsContact CB-SG 3.57Å; N655-C658 WeakPolarHBondContact O-CB 3.46Å; N655-C658 PolarHBondContact O-N 3.41Å; N655-C658 VanDerWaalsContact O-N 3.15Å; N655-C658 PolarHBondContact O-SG 2.71Å
656	P	84.7	Confident	73.9	Confident	80 Å²	80	61.2 Å²	61.2	52%	0.519	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	-175.7	27.2	-35.2	0	0	0	114.2	E700	P656-E700 HydrophobicContact CB-CB 4.26Å
657	T	89.6	Confident	76.1	Confident	32 Å²	32	60 Å²	60	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.4	178	72.3	0	0	0	0	113.5	H435 K436 M437 N655	H435-T657 WeakPolarHBondContact O-CB 3.42Å; H435-T657 WeakPolarHBondContact O-CG2 3.07Å; K436-T657 WeakPolarHBondContact CD-O 3.44Å; K436-T657 PolarHBondContact NZ-O 3.42Å; K436-T657 VanDerWaalsContact NZ-O 3.1Å; M437-T657 HydrophobicContact CB-CG2 3.85Å; M437-T657 HydrophobicContact CG-CG2 4.21Å; M437-T657 PolarHBondContact N-OG1 3.05Å; M437-T657 VanDerWaalsContact N-OG1 3.07Å; M437-T657 PolarHBondContact O-OG1 2.04Å; N655-T657 PolarHBondContact O-N 2.97Å; N655-T657 VanDerWaalsContact O-N 3.14Å; N655-T657 WeakPolarHBondContact OD1-CA 3.47Å; N655-T657 WeakPolarHBondContact OD1-CB 3.19Å; N655-T657 PolarHBondContact OD1-N 3.25Å; N655-T657 PolarHBondContact OD1-OG1 3.26Å
658	C	90.2	Very high	78.1	Confident	22 Å²	22	60.3 Å²	60.3	15%	0.149	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-62.8	152.8	174	-59.9	0	0	0	0	112.5	C422 Q653 N655	C422-C658 WeakPolarHBondContact CA-SG 3.36Å; C422-C658 HydrophobicContact CB-CB 3.87Å; C422-C658 WeakPolarHBondContact CB-SG 3.49Å; C422-C658 WeakPolarHBondContact SG-CA 3.3Å; C422-C658 WeakPolarHBondContact SG-CB 3.45Å; C422-C658 CovalentContact SG-SG 2.04Å; C422-C658 PolarHBondContact SG-SG 3.4Å; Q653-C658 PolarHBondContact OE1-SG 3.05Å; N655-C658 VanDerWaalsContact CB-SG 3.57Å; N655-C658 WeakPolarHBondContact O-CB 3.46Å; N655-C658 PolarHBondContact O-N 3.41Å; N655-C658 VanDerWaalsContact O-N 3.15Å; N655-C658 PolarHBondContact O-SG 2.71Å
659	G	85.9	Confident	79.7	Confident	25 Å²	25	55.8 Å²	55.8	26%	0.258	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-67.3	159.7	172.2	0	0	0	0	0	111.5
660	Y	82.2	Confident	80.9	Confident	190 Å²	190	53.9 Å²	53.9	75%	0.745	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-63	136.1	173.9	-61.1	-73.8	0	0	0	110.8
661	L	80.9	Confident	81.7	Confident	13 Å²	13	55.1 Å²	55.1	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	149.1	167.6	-59.2	174.6	0	0	0	109.5	L389 L423 Q653 R666 M667 V672	L389-L661 HydrophobicContact CD2-CB 4.28Å; L389-L661 HydrophobicContact CD2-CD1 4.21Å; L389-L661 HydrophobicContact CD2-CD2 4.38Å; L423-L661 HydrophobicContact CB-CD2 4.22Å; L423-L661 HydrophobicContact CD2-CD2 3.68Å; Q653-L661 HydrophobicContact CB-CD1 4.13Å; Q653-L661 HydrophobicContact CG-CD1 3.74Å; Q653-L661 HydrophobicContact CG-CD2 3.99Å; Q653-L661 HydrophobicContact CG-CG 4.18Å; L661-R666 CarbonylContact O-C 3.55Å; L661-R666 VanDerWaalsContact O-CA 3.29Å; L661-R666 WeakPolarHBondContact O-CA 3.27Å; L661-M667 HydrophobicContact CB-CB 4.05Å; L661-M667 PolarHBondContact O-N 3.32Å; L661-V672 HydrophobicContact CD1-CG2 3.44Å; L661-V672 VanDerWaalsContact CD1-CG2 3.44Å
662	S	72	Confident	82	Confident	74 Å²	74	54.4 Å²	54.4	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.5	173.4	54.3	0	0	0	0	112.5	Q665	S662-Q665 CarbonylContact C-O 3.5Å; S662-Q665 WeakPolarHBondContact CA-O 3.37Å
663	N	68.9	Low	82	Confident	82 Å²	82	55.3 Å²	55.3	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-162.4	100.7	168.2	-175.2	15.3	0	0	0	112.1	L389 Q665 M667	L389-N663 HydrophobicContact CB-CB 4.26Å; L389-N663 HydrophobicContact CD1-CB 4.35Å; L389-N663 PolarHBondContact O-ND2 3.33Å; N663-Q665 VanDerWaalsContact C-N 3.27Å; N663-Q665 PolarHBondContact N-O 3.1Å; N663-M667 HydrophobicContact CB-SD 3.73Å
664	P	64.8	Low	82.1	Confident	129 Å²	129	56.8 Å²	56.8	84%	0.838	30%	0.3	S	S	*	.	S	Bend	cis	-72.8	-18.6	-26.5	32	-33.8	0	0	0	112.1
665	Q	74.7	Confident	82.3	Confident	159 Å²	159	59.3 Å²	59.3	74%	0.743	31%	0.312	S	S	*	.	S	Bend	trans	-93.3	165.6	176.3	-64.3	-177.4	-3.9	0	0	111.1	S662 N663 M667	S662-Q665 CarbonylContact C-O 3.5Å; S662-Q665 WeakPolarHBondContact CA-O 3.37Å; N663-Q665 VanDerWaalsContact C-N 3.27Å; N663-Q665 PolarHBondContact N-O 3.1Å; Q665-M667 WeakPolarHBondContact O-CG 3.4Å; Q665-M667 PolarHBondContact O-N 3.11Å
666	R	77.2	Confident	82.4	Confident	183 Å²	183	59.7 Å²	59.7	69%	0.691	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	130.3	176.5	-71.6	-173.8	-179.9	-177.7	1.3	110.8	L661	L661-R666 CarbonylContact O-C 3.55Å; L661-R666 VanDerWaalsContact O-CA 3.29Å; L661-R666 WeakPolarHBondContact O-CA 3.27Å
667	M	80.4	Confident	82.6	Confident	23 Å²	23	63.3 Å²	63.3	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.9	-179.5	-56.7	-171.7	73.2	0	0	110.4	L389 L661 N663 Q665 D671 L675	L389-M667 HydrophobicContact CD2-SD 4.12Å; L661-M667 HydrophobicContact CB-CB 4.05Å; L661-M667 PolarHBondContact O-N 3.32Å; N663-M667 HydrophobicContact CB-SD 3.73Å; Q665-M667 WeakPolarHBondContact O-CG 3.4Å; Q665-M667 PolarHBondContact O-N 3.11Å; M667-D671 HydrophobicContact CB-CB 4.14Å; M667-D671 HydrophobicContact CE-CB 3.77Å; M667-D671 WeakPolarHBondContact CE-O 3.16Å; M667-L675 HydrophobicContact CE-CD1 3.41Å; M667-L675 VanDerWaalsContact CE-CD1 3.41Å; M667-L675 HydrophobicContact CE-CD2 4.19Å; M667-L675 HydrophobicContact CE-CG 3.65Å; M667-L675 HydrophobicContact SD-CD1 4.04Å
668	K	82.4	Confident	82.4	Confident	76 Å²	76	64.4 Å²	64.4	33%	0.33	33%	0.33	S	S	.	.			trans	-99.7	171.6	165.5	-66.3	-175.7	175.9	-170.4	0	110.2	V670 D671 V672 R695 S696 Y697	K668-V670 PolarHBondContact O-N 2.89Å; K668-D671 PolarHBondContact N-OD2 2.94Å; K668-D671 WeakPolarHBondContact O-CB 3.43Å; K668-D671 PolarHBondContact O-N 3.01Å; K668-V672 PolarHBondContact O-N 2.88Å; K668-R695 WeakPolarHBondContact CD-O 3.02Å; K668-R695 VanDerWaalsContact CE-O 3.31Å; K668-R695 WeakPolarHBondContact CE-O 3.41Å; K668-R695 PolarHBondContact NZ-O 3.47Å; K668-S696 PolarHBondContact NZ-O 3.38Å; K668-Y697 WeakPolarHBondContact CD-O 3.42Å; K668-Y697 PolarHBondContact NZ-O 2.92Å
669	L	82.9	Confident	82.3	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-53.2	-40.7	179.4	173.8	64.1	0	0	0	112	I651 D671 V672 L673 M703 L706	I651-L669 HydrophobicContact CG2-CD1 3.8Å; I651-L669 HydrophobicContact CG2-CD2 4.03Å; L669-D671 VanDerWaalsContact C-N 3.32Å; L669-D671 PolarHBondContact O-N 2.89Å; L669-V672 WeakPolarHBondContact O-CB 3.4Å; L669-V672 PolarHBondContact O-N 3.15Å; L669-V672 VanDerWaalsContact O-N 3.17Å; L669-L673 WeakPolarHBondContact O-CG 3.29Å; L669-L673 PolarHBondContact O-N 3.18Å; L669-M703 HydrophobicContact CD2-CG 4.39Å; L669-M703 HydrophobicContact CD2-SD 3.64Å; L669-L706 HydrophobicContact CD2-CD1 4.17Å
670	V	85.5	Confident	82.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-37.8	176	175	0	0	0	0	112.7	K668 V672 L673 A674 T680 L694 R695 Q702	K668-V670 PolarHBondContact O-N 2.89Å; V670-V672 VanDerWaalsContact C-N 3.35Å; V670-L673 PolarHBondContact O-N 3.23Å; V670-A674 PolarHBondContact O-N 3.11Å; V670-T680 HydrophobicContact CG1-CG2 3.73Å; V670-L694 HydrophobicContact CG1-CD2 4.21Å; V670-L694 HydrophobicContact CG2-CD1 4.21Å; V670-L694 HydrophobicContact CG2-CD2 3.8Å; V670-L694 HydrophobicContact CG2-CG 3.64Å; V670-R695 HydrophobicContact CG1-CG 4.26Å; V670-Q702 HydrophobicContact CG2-CG 4.24Å
671	D	87.3	Confident	82.9	Confident	32 Å²	32	62.4 Å²	62.4	17%	0.171	33%	0.325	C	S	.	.	H	α-helix	trans	-72.8	-33.2	177.2	-49.7	-51	0	0	0	110.8	M667 K668 L669 A674 L675 R695	M667-D671 HydrophobicContact CB-CB 4.14Å; M667-D671 HydrophobicContact CE-CB 3.77Å; M667-D671 WeakPolarHBondContact CE-O 3.16Å; K668-D671 PolarHBondContact N-OD2 2.94Å; K668-D671 WeakPolarHBondContact O-CB 3.43Å; K668-D671 PolarHBondContact O-N 3.01Å; L669-D671 VanDerWaalsContact C-N 3.32Å; L669-D671 PolarHBondContact O-N 2.89Å; D671-A674 WeakPolarHBondContact O-CB 3.47Å; D671-A674 PolarHBondContact O-N 2.76Å; D671-L675 PolarHBondContact O-N 3.15Å; D671-R695 IonicContact OD1-CZ 3Å; D671-R695 IonicContact OD1-NE 2.65Å; D671-R695 PolarHBondContact OD1-NE 3.08Å; D671-R695 IonicContact OD1-NH2 3.6Å
672	V	86.7	Confident	83.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-46.5	169.8	177.9	0	0	0	0	110.2	L388 L389 W397 L661 K668 L669 V670 A674 L675 Y676	L388-V672 HydrophobicContact CD1-CG1 4.16Å; L388-V672 HydrophobicContact CD2-CG1 4.13Å; L388-V672 HydrophobicContact CG-CG1 3.99Å; L389-V672 HydrophobicContact CD2-CG2 4.19Å; W397-V672 HydrophobicContact CZ3-CG1 4.24Å; L661-V672 HydrophobicContact CD1-CG2 3.44Å; L661-V672 VanDerWaalsContact CD1-CG2 3.44Å; K668-V672 PolarHBondContact O-N 2.88Å; L669-V672 WeakPolarHBondContact O-CB 3.4Å; L669-V672 PolarHBondContact O-N 3.15Å; L669-V672 VanDerWaalsContact O-N 3.17Å; V670-V672 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 3.46Å; V672-L675 VanDerWaalsContact O-CB 3.31Å; V672-L675 WeakPolarHBondContact O-CB 3.44Å; V672-L675 PolarHBondContact O-N 3.33Å; V672-Y676 HydrophobicContact CG1-CD2 4.43Å; V672-Y676 HydrophobicContact CG1-CE2 4.22Å; V672-Y676 VanDerWaalsContact O-CD2 3.32Å; V672-Y676 WeakPolarHBondContact O-CD2 3.03Å
673	L	86.3	Confident	83.9	Confident	20 Å²	20	62.5 Å²	62.5	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-37.2	176.8	-67.1	176.1	0	0	0	111.9	W397 L669 V670 L675 Y676 V678 L683	W397-L673 HydrophobicContact CH2-CD2 3.69Å; W397-L673 HydrophobicContact CZ2-CD2 3.72Å; W397-L673 HydrophobicContact CZ3-CD2 4.32Å; L669-L673 WeakPolarHBondContact O-CG 3.29Å; L669-L673 PolarHBondContact O-N 3.18Å; V670-L673 PolarHBondContact O-N 3.23Å; L673-L675 VanDerWaalsContact C-N 3.28Å; L673-L675 PolarHBondContact O-N 3.05Å; L673-Y676 CarbonylContact O-C 3.45Å; L673-Y676 WeakPolarHBondContact O-CA 3.46Å; L673-Y676 PolarHBondContact O-N 3.1Å; L673-V678 HydrophobicContact CB-CB 4.04Å; L673-V678 HydrophobicContact CB-CG1 4.41Å; L673-V678 HydrophobicContact CB-CG2 4.11Å; L673-V678 VanDerWaalsContact O-CB 3.3Å; L673-V678 WeakPolarHBondContact O-CB 3.28Å; L673-V678 WeakPolarHBondContact O-CG2 3.32Å; L673-V678 PolarHBondContact O-N 2.04Å; L673-L683 HydrophobicContact CD1-CD2 4.07Å
674	A	88.6	Confident	84.9	Confident	40 Å²	40	58.6 Å²	58.6	33%	0.331	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-34.8	175.1	0	0	0	0	0	112.8	V670 D671 V672 Y676 E677 T680	V670-A674 PolarHBondContact O-N 3.11Å; D671-A674 WeakPolarHBondContact O-CB 3.47Å; D671-A674 PolarHBondContact O-N 2.76Å; V672-A674 PolarHBondContact O-N 3.46Å; A674-Y676 PolarHBondContact O-N 3.36Å; A674-E677 PolarHBondContact O-N 3.46Å; A674-E677 VanDerWaalsContact O-N 3.15Å; A674-T680 HydrophobicContact CB-CG2 3.84Å
675	L	89.9	Confident	86.1	Confident	58 Å²	58	57.8 Å²	57.8	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-19.1	173.1	-64.1	178.1	0	0	0	113.1	L389 G391 G392 M667 D671 V672 L673	L389-L675 WeakPolarHBondContact O-CD1 3.29Å; G391-L675 CarbonylContact C-O 3.5Å; G391-L675 WeakPolarHBondContact CA-O 3.48Å; G392-L675 PolarHBondContact N-O 3.13Å; M667-L675 HydrophobicContact CE-CD1 3.41Å; M667-L675 VanDerWaalsContact CE-CD1 3.41Å; M667-L675 HydrophobicContact CE-CD2 4.19Å; M667-L675 HydrophobicContact CE-CG 3.65Å; M667-L675 HydrophobicContact SD-CD1 4.04Å; D671-L675 PolarHBondContact O-N 3.15Å; V672-L675 VanDerWaalsContact O-CB 3.31Å; V672-L675 WeakPolarHBondContact O-CB 3.44Å; V672-L675 PolarHBondContact O-N 3.33Å; L673-L675 VanDerWaalsContact C-N 3.28Å; L673-L675 PolarHBondContact O-N 3.05Å
676	Y	89.8	Confident	86.5	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.039	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	30.9	175.9	-69.3	-91.4	0	0	0	112.3	L388 G392 K396 W397 I400 V672 L673 A674 V678	L388-Y676 WeakPolarHBondContact CA-OH 3.36Å; L388-Y676 HydrophobicContact CD1-CE2 4.03Å; L388-Y676 VanDerWaalsContact O-CE2 3.28Å; L388-Y676 WeakPolarHBondContact O-CE2 3.33Å; L388-Y676 PolarHBondContact O-OH 2.92Å; G392-Y676 VanDerWaalsContact O-CA 3.27Å; G392-Y676 WeakPolarHBondContact O-CA 3.17Å; G392-Y676 WeakPolarHBondContact O-CD1 3.14Å; K396-Y676 HydrophobicContact CB-CE1 4.29Å; K396-Y676 HydrophobicContact CD-CE1 4.07Å; K396-Y676 HydrophobicContact CG-CE1 4.13Å; W397-Y676 HydrophobicContact CB-CD1 3.69Å; W397-Y676 HydrophobicContact CB-CE1 4.11Å; W397-Y676 HydrophobicContact CB-CG 4.28Å; W397-Y676 HydrophobicContact CD2-CG 4.46Å; W397-Y676 HydrophobicContact CE3-CD1 4.08Å; W397-Y676 AromaticContact CE3-CD2 3.67Å; W397-Y676 HydrophobicContact CE3-CD2 3.67Å; W397-Y676 HydrophobicContact CE3-CE1 4.18Å; W397-Y676 AromaticContact CE3-CE2 3.83Å; W397-Y676 HydrophobicContact CE3-CE2 3.83Å; W397-Y676 AromaticContact CE3-CG 3.83Å; W397-Y676 HydrophobicContact CE3-CG 3.83Å; W397-Y676 HydrophobicContact CG-CD1 4.49Å; W397-Y676 HydrophobicContact CZ3-CD2 4.04Å; W397-Y676 HydrophobicContact CZ3-CE2 4.12Å; I400-Y676 HydrophobicContact CD1-CE1 4.15Å; I400-Y676 WeakPolarHBondContact CD1-OH 3.27Å; V672-Y676 HydrophobicContact CG1-CD2 4.43Å; V672-Y676 HydrophobicContact CG1-CE2 4.22Å; V672-Y676 VanDerWaalsContact O-CD2 3.32Å; V672-Y676 WeakPolarHBondContact O-CD2 3.03Å; L673-Y676 CarbonylContact O-C 3.45Å; L673-Y676 WeakPolarHBondContact O-CA 3.46Å; L673-Y676 PolarHBondContact O-N 3.1Å; A674-Y676 PolarHBondContact O-N 3.36Å; Y676-V678 PolarHBondContact O-N 3.13Å
677	E	87.6	Confident	86.9	Confident	157 Å²	157	45 Å²	45	73%	0.734	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	17.4	173.7	-57	173.2	179.6	0	0	114.2	A674 N679	A674-E677 PolarHBondContact O-N 3.46Å; A674-E677 VanDerWaalsContact O-N 3.15Å; E677-N679 PolarHBondContact O-N 3.38Å
678	V	85.8	Confident	87.4	Confident	54 Å²	54	47.2 Å²	47.2	33%	0.327	27%	0.266	S	S	.	.			trans	-73.5	120.3	173.7	-179	0	0	0	0	109	L673 Y676 T680 L683	L673-V678 HydrophobicContact CB-CB 4.04Å; L673-V678 HydrophobicContact CB-CG1 4.41Å; L673-V678 HydrophobicContact CB-CG2 4.11Å; L673-V678 VanDerWaalsContact O-CB 3.3Å; L673-V678 WeakPolarHBondContact O-CB 3.28Å; L673-V678 WeakPolarHBondContact O-CG2 3.32Å; L673-V678 PolarHBondContact O-N 2.04Å; Y676-V678 PolarHBondContact O-N 3.13Å; V678-T680 PolarHBondContact O-N 3.06Å; V678-L683 HydrophobicContact CG1-CD2 4.23Å
679	N	88.5	Confident	87.8	Confident	95 Å²	95	45.1 Å²	45.1	51%	0.508	26%	0.258	S	S	.	.			trans	-65.7	100.2	173.4	-175.2	-32.5	0	0	0	110.1	E677 D681 L682 L683	E677-N679 PolarHBondContact O-N 3.38Å; N679-D681 VanDerWaalsContact C-N 3.32Å; N679-D681 PolarHBondContact O-N 2.91Å; N679-D681 PolarHBondContact OD1-N 3.17Å; N679-D681 VanDerWaalsContact OD1-N 3.12Å; N679-L682 HydrophobicContact CB-CB 4.02Å; N679-L682 PolarHBondContact O-N 3.22Å; N679-L682 PolarHBondContact OD1-N 3.31Å; N679-L683 WeakPolarHBondContact O-CB 3.46Å; N679-L683 PolarHBondContact O-N 2.96Å
680	T	89.1	Confident	88.2	Confident	13 Å²	13	48.6 Å²	48.6	8%	0.08	28%	0.28	C	S	.	.	H	α-helix	trans	-69.9	-27.8	-175.7	54.1	0	0	0	0	113.2	V670 A674 V678 A684 T691	V670-T680 HydrophobicContact CG1-CG2 3.73Å; A674-T680 HydrophobicContact CB-CG2 3.84Å; V678-T680 PolarHBondContact O-N 3.06Å; T680-A684 VanDerWaalsContact O-CB 3.31Å; T680-A684 WeakPolarHBondContact O-CB 3.48Å; T680-A684 PolarHBondContact O-N 3.32Å; T680-T691 WeakPolarHBondContact O-CG2 3.36Å
681	D	91.1	Very high	88.4	Confident	88 Å²	88	50.1 Å²	50.1	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-69.1	-46.5	176.2	-65.4	-57.4	0	0	0	111.1	N679 L683 A684 N685 T691	N679-D681 VanDerWaalsContact C-N 3.32Å; N679-D681 PolarHBondContact O-N 2.91Å; N679-D681 PolarHBondContact OD1-N 3.17Å; N679-D681 VanDerWaalsContact OD1-N 3.12Å; D681-L683 VanDerWaalsContact C-N 3.34Å; D681-L683 PolarHBondContact O-N 3.37Å; D681-A684 PolarHBondContact O-N 3.27Å; D681-N685 WeakPolarHBondContact O-CB 3.5Å; D681-N685 PolarHBondContact O-N 2.97Å; D681-N685 PolarHBondContact O-ND2 3.38Å; D681-T691 VanDerWaalsContact CA-CG2 3.49Å; D681-T691 HydrophobicContact CB-CG2 4.24Å; D681-T691 WeakPolarHBondContact OD1-CG2 3.31Å; D681-T691 PolarHBondContact OD1-OG1 3.42Å
682	L	89.7	Confident	88.6	Confident	71 Å²	71	52.7 Å²	52.7	37%	0.372	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-45	172.9	-179.1	58	0	0	0	111.2	N679 N685 L686 L720	N679-L682 HydrophobicContact CB-CB 4.02Å; N679-L682 PolarHBondContact O-N 3.22Å; N679-L682 PolarHBondContact OD1-N 3.31Å; L682-N685 PolarHBondContact O-N 3.49Å; L682-L686 HydrophobicContact CD1-CD1 4.19Å; L682-L686 HydrophobicContact CD1-CG 4.44Å; L682-L686 HydrophobicContact CG-CD1 4.06Å; L682-L686 VanDerWaalsContact O-CD1 3.28Å; L682-L686 WeakPolarHBondContact O-CD1 3.26Å; L682-L686 VanDerWaalsContact O-CG 3.26Å; L682-L686 WeakPolarHBondContact O-CG 3.46Å; L682-L686 PolarHBondContact O-N 3.34Å; L682-L720 HydrophobicContact CD2-CD1 3.89Å; L682-L720 HydrophobicContact CD2-CD2 3.62Å; L682-L720 HydrophobicContact CD2-CG 4.39Å; L682-L720 HydrophobicContact CG-CD1 4.01Å
683	L	85.7	Confident	88.9	Confident	17 Å²	17	57.4 Å²	57.4	9%	0.089	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-50.6	176.7	-180	61.4	0	0	0	111.3	L673 V678 N679 D681 N685 L686 L687 L694 L706 L717	L673-L683 HydrophobicContact CD1-CD2 4.07Å; V678-L683 HydrophobicContact CG1-CD2 4.23Å; N679-L683 WeakPolarHBondContact O-CB 3.46Å; N679-L683 PolarHBondContact O-N 2.96Å; D681-L683 VanDerWaalsContact C-N 3.34Å; D681-L683 PolarHBondContact O-N 3.37Å; L683-N685 PolarHBondContact O-N 3.04Å; L683-L686 PolarHBondContact O-N 3.32Å; L683-L687 HydrophobicContact CG-CD1 4.47Å; L683-L687 WeakPolarHBondContact O-CG 3.3Å; L683-L687 PolarHBondContact O-N 2.86Å; L683-L694 HydrophobicContact CG-CD2 4.5Å; L683-L706 HydrophobicContact CD1-CD2 3.8Å; L683-L706 HydrophobicContact CD2-CD2 4.04Å; L683-L706 HydrophobicContact CG-CD2 4.22Å; L683-L717 HydrophobicContact CD1-CD2 4.05Å
684	A	89.3	Confident	89	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-44.1	179.9	0	0	0	0	0	111.6	T680 D681 L686 L687 G688 L689 T691 L694	T680-A684 VanDerWaalsContact O-CB 3.31Å; T680-A684 WeakPolarHBondContact O-CB 3.48Å; T680-A684 PolarHBondContact O-N 3.32Å; D681-A684 PolarHBondContact O-N 3.27Å; A684-L686 VanDerWaalsContact C-N 3.29Å; A684-L686 PolarHBondContact O-N 3.05Å; A684-L687 CarbonylContact O-C 3.52Å; A684-L687 WeakPolarHBondContact O-CA 3.28Å; A684-L687 WeakPolarHBondContact O-CB 3.41Å; A684-L687 PolarHBondContact O-N 3.4Å; A684-G688 PolarHBondContact O-N 3.21Å; A684-G688 VanDerWaalsContact O-N 3.15Å; A684-L689 CarbonylContact C-O 3.5Å; A684-L689 VanDerWaalsContact CB-O 3.29Å; A684-L689 WeakPolarHBondContact CB-O 3.35Å; A684-L689 PolarHBondContact O-N 3.38Å; A684-T691 HydrophobicContact CB-CG2 3.75Å; A684-L694 HydrophobicContact CB-CB 4.34Å; A684-L694 HydrophobicContact CB-CD2 4.01Å
685	N	88.8	Confident	89	Confident	113 Å²	113	60 Å²	60	60%	0.604	33%	0.33	S	S	*	.	H	α-helix	trans	-58.1	-39.9	177.9	-74.3	-23.2	0	0	0	112.3	D681 L682 L683 L687 G688 L689	D681-N685 WeakPolarHBondContact O-CB 3.5Å; D681-N685 PolarHBondContact O-N 2.97Å; D681-N685 PolarHBondContact O-ND2 3.38Å; L682-N685 PolarHBondContact O-N 3.49Å; L683-N685 PolarHBondContact O-N 3.04Å; N685-L687 VanDerWaalsContact C-N 3.29Å; N685-L687 PolarHBondContact O-N 3.43Å; N685-G688 PolarHBondContact O-N 2.94Å; N685-L689 PolarHBondContact N-O 2.88Å
686	L	84.9	Confident	89	Confident	50 Å²	50	60.3 Å²	60.3	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-68.2	-30.3	176.8	-68.8	157.2	0	0	0	113.1	L682 L683 A684 G688 V713 L720	L682-L686 HydrophobicContact CD1-CD1 4.19Å; L682-L686 HydrophobicContact CD1-CG 4.44Å; L682-L686 HydrophobicContact CG-CD1 4.06Å; L682-L686 VanDerWaalsContact O-CD1 3.28Å; L682-L686 WeakPolarHBondContact O-CD1 3.26Å; L682-L686 VanDerWaalsContact O-CG 3.26Å; L682-L686 WeakPolarHBondContact O-CG 3.46Å; L682-L686 PolarHBondContact O-N 3.34Å; L683-L686 PolarHBondContact O-N 3.32Å; A684-L686 VanDerWaalsContact C-N 3.29Å; A684-L686 PolarHBondContact O-N 3.05Å; L686-G688 PolarHBondContact O-N 3Å; L686-V713 WeakPolarHBondContact O-CG2 3.33Å; L686-L720 HydrophobicContact CD1-CD1 2.99Å; L686-L720 HydrophobicContact CD1-CG 4.44Å; L686-L720 HydrophobicContact CD2-CD1 4.43Å; L686-L720 HydrophobicContact CG-CD1 4.26Å
687	L	85.5	Confident	88.9	Confident	24 Å²	24	62.2 Å²	62.2	13%	0.126	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.2	173	-59.4	179.9	0	0	0	112.5	L683 A684 N685 L689 L694 A705 L706 V713 L717	L683-L687 HydrophobicContact CG-CD1 4.47Å; L683-L687 WeakPolarHBondContact O-CG 3.3Å; L683-L687 PolarHBondContact O-N 2.86Å; A684-L687 CarbonylContact O-C 3.52Å; A684-L687 WeakPolarHBondContact O-CA 3.28Å; A684-L687 WeakPolarHBondContact O-CB 3.41Å; A684-L687 PolarHBondContact O-N 3.4Å; N685-L687 VanDerWaalsContact C-N 3.29Å; N685-L687 PolarHBondContact O-N 3.43Å; L687-L689 VanDerWaalsContact C-N 3.32Å; L687-L689 HydrophobicContact CB-CD1 4.15Å; L687-L689 HydrophobicContact CB-CG 4.28Å; L687-L694 HydrophobicContact CD1-CD1 3.98Å; L687-L694 HydrophobicContact CD1-CD2 4.08Å; L687-A705 HydrophobicContact CD1-CB 4.06Å; L687-A705 VanDerWaalsContact CD2-O 3.23Å; L687-A705 WeakPolarHBondContact CD2-O 3.02Å; L687-L706 HydrophobicContact CD1-CD2 3.89Å; L687-L706 HydrophobicContact CD1-CG 4.42Å; L687-V713 HydrophobicContact CD2-CG1 3.79Å; L687-L717 HydrophobicContact CD2-CD1 4.22Å
688	G	89.4	Confident	88.6	Confident	69 Å²	69	58.6 Å²	58.6	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	27.9	-174.2	0	0	0	0	0	113.2	A684 N685 L686	A684-G688 PolarHBondContact O-N 3.21Å; A684-G688 VanDerWaalsContact O-N 3.15Å; N685-G688 PolarHBondContact O-N 2.94Å; L686-G688 PolarHBondContact O-N 3Å
689	L	91.1	Very high	88.1	Confident	31 Å²	31	57.7 Å²	57.7	16%	0.162	33%	0.326	C	S	.	.			trans	-124.8	156.4	-177	-61.3	173.4	0	0	0	110.4	A684 N685 L687 K693 L694 Y697 A705	A684-L689 CarbonylContact C-O 3.5Å; A684-L689 VanDerWaalsContact CB-O 3.29Å; A684-L689 WeakPolarHBondContact CB-O 3.35Å; A684-L689 PolarHBondContact O-N 3.38Å; N685-L689 PolarHBondContact N-O 2.88Å; L687-L689 VanDerWaalsContact C-N 3.32Å; L687-L689 HydrophobicContact CB-CD1 4.15Å; L687-L689 HydrophobicContact CB-CG 4.28Å; L689-K693 HydrophobicContact CD2-CG 3.99Å; L689-L694 HydrophobicContact CD1-CB 4.39Å; L689-L694 HydrophobicContact CD1-CD1 4.07Å; L689-Y697 HydrophobicContact CD1-CD2 4.4Å; L689-Y697 HydrophobicContact CD1-CE2 3.68Å; L689-A705 HydrophobicContact CD1-CB 4.26Å
690	T	91.8	Very high	87.5	Confident	78 Å²	78	56.4 Å²	56.4	48%	0.479	32%	0.317	S	S	.	.			trans	-79.2	156.3	161.8	63.7	0	0	0	0	109.9	S692 K693 L694	T690-S692 VanDerWaalsContact C-N 3.26Å; T690-S692 PolarHBondContact O-N 3.03Å; T690-S692 PolarHBondContact OG1-OG 3.18Å; T690-K693 PolarHBondContact O-N 2.91Å; T690-K693 VanDerWaalsContact O-N 3.1Å; T690-K693 VanDerWaalsContact OG1-CB 3.29Å; T690-K693 WeakPolarHBondContact OG1-CB 3.13Å; T690-K693 PolarHBondContact OG1-N 3Å; T690-K693 VanDerWaalsContact OG1-N 3.11Å; T690-L694 PolarHBondContact O-N 2.9Å
691	T	89.6	Confident	87.2	Confident	31 Å²	31	59.9 Å²	59.9	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-38.2	173.5	33.5	0	0	0	0	112.7	T680 D681 A684 K693 L694 R695	T680-T691 WeakPolarHBondContact O-CG2 3.36Å; D681-T691 VanDerWaalsContact CA-CG2 3.49Å; D681-T691 HydrophobicContact CB-CG2 4.24Å; D681-T691 WeakPolarHBondContact OD1-CG2 3.31Å; D681-T691 PolarHBondContact OD1-OG1 3.42Å; A684-T691 HydrophobicContact CB-CG2 3.75Å; T691-K693 VanDerWaalsContact C-N 3.34Å; T691-K693 PolarHBondContact O-N 3.4Å; T691-L694 PolarHBondContact O-N 3.47Å; T691-R695 WeakPolarHBondContact O-CB 3.31Å; T691-R695 WeakPolarHBondContact O-CG 3.44Å; T691-R695 PolarHBondContact O-N 2.01Å
692	S	91.4	Very high	86.8	Confident	86 Å²	86	55.7 Å²	55.7	60%	0.601	31%	0.31	S	S	*	.	H	α-helix	trans	-60	-42.3	173.7	58.7	0	0	0	0	112.3	T690 S696	T690-S692 VanDerWaalsContact C-N 3.26Å; T690-S692 PolarHBondContact O-N 3.03Å; T690-S692 PolarHBondContact OG1-OG 3.18Å; S692-S696 PolarHBondContact O-N 2.96Å
693	K	92.4	Very high	86.2	Confident	101 Å²	101	52.4 Å²	52.4	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-69.4	-43.7	177.8	-173.2	60.8	171.9	174.8	0	111.8	L689 T690 T691 R695 S696 Y697	L689-K693 HydrophobicContact CD2-CG 3.99Å; T690-K693 PolarHBondContact O-N 2.91Å; T690-K693 VanDerWaalsContact O-N 3.1Å; T690-K693 VanDerWaalsContact OG1-CB 3.29Å; T690-K693 WeakPolarHBondContact OG1-CB 3.13Å; T690-K693 PolarHBondContact OG1-N 3Å; T690-K693 VanDerWaalsContact OG1-N 3.11Å; T691-K693 VanDerWaalsContact C-N 3.34Å; T691-K693 PolarHBondContact O-N 3.4Å; K693-R695 VanDerWaalsContact C-N 3.35Å; K693-R695 PolarHBondContact O-N 2.71Å; K693-S696 VanDerWaalsContact O-CB 3.32Å; K693-S696 WeakPolarHBondContact O-CB 3.41Å; K693-S696 PolarHBondContact O-N 2.92Å; K693-S696 PolarHBondContact O-OG 2.65Å; K693-Y697 HydrophobicContact CD-CE1 4.22Å; K693-Y697 HydrophobicContact CG-CE1 4.3Å; K693-Y697 PolarHBondContact O-N 2.94Å
694	L	88.7	Confident	85.8	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-40.7	176.9	-178.5	61.7	0	0	0	111.6	V670 L683 A684 L687 L689 T690 T691 S696 Y697 Q702 A705	V670-L694 HydrophobicContact CG1-CD2 4.21Å; V670-L694 HydrophobicContact CG2-CD1 4.21Å; V670-L694 HydrophobicContact CG2-CD2 3.8Å; V670-L694 HydrophobicContact CG2-CG 3.64Å; L683-L694 HydrophobicContact CG-CD2 4.5Å; A684-L694 HydrophobicContact CB-CB 4.34Å; A684-L694 HydrophobicContact CB-CD2 4.01Å; L687-L694 HydrophobicContact CD1-CD1 3.98Å; L687-L694 HydrophobicContact CD1-CD2 4.08Å; L689-L694 HydrophobicContact CD1-CB 4.39Å; L689-L694 HydrophobicContact CD1-CD1 4.07Å; T690-L694 PolarHBondContact O-N 2.9Å; T691-L694 PolarHBondContact O-N 3.47Å; L694-S696 VanDerWaalsContact C-N 3.27Å; L694-S696 PolarHBondContact O-N 2.81Å; L694-Y697 HydrophobicContact CD1-CD2 4.4Å; L694-Y697 WeakPolarHBondContact O-CB 3.42Å; L694-Y697 PolarHBondContact O-N 3.3Å; L694-Q702 HydrophobicContact CD1-CG 4.28Å; L694-Q702 PolarHBondContact O-NE2 2.7Å; L694-A705 HydrophobicContact CD1-CB 4.38Å
695	R	89.2	Confident	85.4	Confident	114 Å²	114	55.9 Å²	55.9	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-25.9	171.5	-74.2	-175.8	179.9	167	10	113	K668 V670 D671 T691 K693 Y697	K668-R695 WeakPolarHBondContact CD-O 3.02Å; K668-R695 VanDerWaalsContact CE-O 3.31Å; K668-R695 WeakPolarHBondContact CE-O 3.41Å; K668-R695 PolarHBondContact NZ-O 3.47Å; V670-R695 HydrophobicContact CG1-CG 4.26Å; D671-R695 IonicContact OD1-CZ 3Å; D671-R695 IonicContact OD1-NE 2.65Å; D671-R695 PolarHBondContact OD1-NE 3.08Å; D671-R695 IonicContact OD1-NH2 3.6Å; T691-R695 WeakPolarHBondContact O-CB 3.31Å; T691-R695 WeakPolarHBondContact O-CG 3.44Å; T691-R695 PolarHBondContact O-N 2.01Å; K693-R695 VanDerWaalsContact C-N 3.35Å; K693-R695 PolarHBondContact O-N 2.71Å; R695-Y697 VanDerWaalsContact C-N 3.3Å; R695-Y697 PolarHBondContact O-N 2.65Å
696	S	89.8	Confident	84.8	Confident	65 Å²	65	51.3 Å²	51.3	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-68	-29.2	175.4	83.3	0	0	0	0	112.9	K668 S692 K693 L694	K668-S696 PolarHBondContact NZ-O 3.38Å; S692-S696 PolarHBondContact O-N 2.96Å; K693-S696 VanDerWaalsContact O-CB 3.32Å; K693-S696 WeakPolarHBondContact O-CB 3.41Å; K693-S696 PolarHBondContact O-N 2.92Å; K693-S696 PolarHBondContact O-OG 2.65Å; L694-S696 VanDerWaalsContact C-N 3.27Å; L694-S696 PolarHBondContact O-N 2.81Å
697	Y	87	Confident	84.1	Confident	50 Å²	50	52 Å²	52	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-63.6	150.8	-177.4	-75.2	-1	0	0	0	113.6	K668 L689 K693 L694 R695 Q701 Q702 A705	K668-Y697 WeakPolarHBondContact CD-O 3.42Å; K668-Y697 PolarHBondContact NZ-O 2.92Å; L689-Y697 HydrophobicContact CD1-CD2 4.4Å; L689-Y697 HydrophobicContact CD1-CE2 3.68Å; K693-Y697 HydrophobicContact CD-CE1 4.22Å; K693-Y697 HydrophobicContact CG-CE1 4.3Å; K693-Y697 PolarHBondContact O-N 2.94Å; L694-Y697 HydrophobicContact CD1-CD2 4.4Å; L694-Y697 WeakPolarHBondContact O-CB 3.42Å; L694-Y697 PolarHBondContact O-N 3.3Å; R695-Y697 VanDerWaalsContact C-N 3.3Å; R695-Y697 PolarHBondContact O-N 2.65Å; Y697-Q701 HydrophobicContact CD1-CB 4.35Å; Y697-Q701 HydrophobicContact CD2-CB 3.8Å; Y697-Q701 HydrophobicContact CG-CB 3.69Å; Y697-Q702 PolarHBondContact O-NE2 2.97Å; Y697-A705 HydrophobicContact CD2-CB 4.47Å; Y697-A705 HydrophobicContact CE2-CB 4.33Å
698	N	81.2	Confident	83.4	Confident	80 Å²	80	52.8 Å²	52.8	43%	0.428	29%	0.292	S	S	.	.			trans	-77.5	170.5	167	69	33.6	0	0	0	110.9	E700 Q701 Q702	N698-E700 VanDerWaalsContact C-N 3.25Å; N698-E700 PolarHBondContact O-N 3.4Å; N698-E700 WeakPolarHBondContact OD1-CB 3.18Å; N698-E700 PolarHBondContact OD1-N 3.03Å; N698-E700 VanDerWaalsContact OD1-N 3.13Å; N698-Q701 PolarHBondContact O-N 3.22Å; N698-Q701 WeakPolarHBondContact OD1-CB 3.13Å; N698-Q701 WeakPolarHBondContact OD1-CG 3.31Å; N698-Q701 PolarHBondContact OD1-N 3.35Å; N698-Q702 WeakPolarHBondContact O-CG 3.32Å; N698-Q702 PolarHBondContact O-N 3.13Å
699	S	75.1	Confident	81.8	Confident	35 Å²	35	50.7 Å²	50.7	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-38.8	-177.2	-53.6	0	0	0	0	112.6	Q702 M703	S699-Q702 PolarHBondContact O-N 3.15Å; S699-M703 WeakPolarHBondContact O-CB 3.03Å; S699-M703 WeakPolarHBondContact O-CG 3.02Å; S699-M703 PolarHBondContact O-N 3.23Å
700	E	76.6	Confident	79.9	Confident	69 Å²	69	55.7 Å²	55.7	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-47.4	178	-167.5	-176.5	163.9	0	0	112	Y608 P656 N698 M703 R704	Y608-E700 WeakPolarHBondContact OH-CG 3.45Å; Y608-E700 PolarHBondContact OH-OE1 2.94Å; P656-E700 HydrophobicContact CB-CB 4.26Å; N698-E700 VanDerWaalsContact C-N 3.25Å; N698-E700 PolarHBondContact O-N 3.4Å; N698-E700 WeakPolarHBondContact OD1-CB 3.18Å; N698-E700 PolarHBondContact OD1-N 3.03Å; N698-E700 VanDerWaalsContact OD1-N 3.13Å; E700-M703 PolarHBondContact O-N 3.43Å; E700-R704 WeakPolarHBondContact O-CG 3.39Å; E700-R704 PolarHBondContact O-N 3.37Å; E700-R704 IonicContact OE1-CZ 2.59Å; E700-R704 IonicContact OE1-NE 2.65Å; E700-R704 PolarHBondContact OE1-NE 3.44Å; E700-R704 IonicContact OE1-NH2 2.65Å; E700-R704 PolarHBondContact OE1-NH2 3.05Å
701	Q	83	Confident	77.8	Confident	85 Å²	85	58.9 Å²	58.9	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-39	177.4	-73	170.6	-31.6	0	0	111.9	Y697 N698 R704 A705	Y697-Q701 HydrophobicContact CD1-CB 4.35Å; Y697-Q701 HydrophobicContact CD2-CB 3.8Å; Y697-Q701 HydrophobicContact CG-CB 3.69Å; N698-Q701 PolarHBondContact O-N 3.22Å; N698-Q701 WeakPolarHBondContact OD1-CB 3.13Å; N698-Q701 WeakPolarHBondContact OD1-CG 3.31Å; N698-Q701 PolarHBondContact OD1-N 3.35Å; Q701-R704 PolarHBondContact O-N 2.99Å; Q701-A705 WeakPolarHBondContact O-CB 3.32Å; Q701-A705 PolarHBondContact O-N 3.35Å
702	Q	81.8	Confident	75.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-46.1	174	-71	-175.1	7.4	0	0	110.8	V670 L694 Y697 N698 S699 R704 A705 L706	V670-Q702 HydrophobicContact CG2-CG 4.24Å; L694-Q702 HydrophobicContact CD1-CG 4.28Å; L694-Q702 PolarHBondContact O-NE2 2.7Å; Y697-Q702 PolarHBondContact O-NE2 2.97Å; N698-Q702 WeakPolarHBondContact O-CG 3.32Å; N698-Q702 PolarHBondContact O-N 3.13Å; S699-Q702 PolarHBondContact O-N 3.15Å; Q702-R704 PolarHBondContact O-N 3.16Å; Q702-A705 PolarHBondContact O-N 2.88Å; Q702-L706 WeakPolarHBondContact O-CB 3.5Å; Q702-L706 WeakPolarHBondContact O-CG 3.49Å; Q702-L706 PolarHBondContact O-N 3.33Å
703	M	77.6	Confident	73.4	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-42.6	175.5	-71	-62.3	-62.8	0	0	111.8	C596 Y608 I651 C654 L669 S699 E700 L706 F707	C596-M703 HydrophobicContact CB-CE 4.02Å; Y608-M703 HydrophobicContact CD2-CB 4.41Å; Y608-M703 HydrophobicContact CE2-CB 4.05Å; I651-M703 HydrophobicContact CB-CE 4.43Å; I651-M703 HydrophobicContact CD1-CE 3.97Å; I651-M703 HydrophobicContact CD1-SD 4.19Å; I651-M703 HydrophobicContact CG2-SD 4.18Å; C654-M703 HydrophobicContact CB-CE 3.54Å; C654-M703 HydrophobicContact CB-CG 3.92Å; C654-M703 HydrophobicContact CB-SD 3.46Å; C654-M703 WeakPolarHBondContact CB-SD 3.26Å; L669-M703 HydrophobicContact CD2-CG 4.39Å; L669-M703 HydrophobicContact CD2-SD 3.64Å; S699-M703 WeakPolarHBondContact O-CB 3.03Å; S699-M703 WeakPolarHBondContact O-CG 3.02Å; S699-M703 PolarHBondContact O-N 3.23Å; E700-M703 PolarHBondContact O-N 3.43Å; M703-L706 PolarHBondContact O-N 3.04Å; M703-F707 HydrophobicContact CE-CD2 3.57Å; M703-F707 HydrophobicContact CE-CE2 3.56Å; M703-F707 WeakPolarHBondContact O-CB 3.31Å; M703-F707 VanDerWaalsContact O-CD2 3.22Å; M703-F707 WeakPolarHBondContact O-CD2 3.02Å; M703-F707 PolarHBondContact O-N 2.95Å; M703-F707 HydrophobicContact SD-CD2 4.22Å; M703-F707 HydrophobicContact SD-CE2 3.91Å
704	R	77	Confident	71	Confident	71 Å²	71	66.6 Å²	66.6	27%	0.268	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-44.7	173.3	-75	179.6	-174.5	-155.7	7.9	112.1	Y608 E700 Q701 Q702 L706 F707 C708	Y608-R704 HydrophobicContact CD1-CG 4.18Å; Y608-R704 HydrophobicContact CE1-CG 3.3Å; Y608-R704 HydrophobicContact CE2-CG 4.48Å; Y608-R704 VanDerWaalsContact CZ-CG 3.48Å; Y608-R704 WeakPolarHBondContact OH-CG 3.14Å; Y608-R704 PolarHBondContact OH-NE 3.09Å; E700-R704 WeakPolarHBondContact O-CG 3.39Å; E700-R704 PolarHBondContact O-N 3.37Å; E700-R704 IonicContact OE1-CZ 2.59Å; E700-R704 IonicContact OE1-NE 2.65Å; E700-R704 PolarHBondContact OE1-NE 3.44Å; E700-R704 IonicContact OE1-NH2 2.65Å; E700-R704 PolarHBondContact OE1-NH2 3.05Å; Q701-R704 PolarHBondContact O-N 2.99Å; Q702-R704 PolarHBondContact O-N 3.16Å; R704-L706 VanDerWaalsContact C-N 3.32Å; R704-L706 PolarHBondContact O-N 3.22Å; R704-F707 PolarHBondContact O-N 2.7Å; R704-C708 HydrophobicContact CB-CB 4.41Å; R704-C708 VanDerWaalsContact O-CA 3.24Å; R704-C708 WeakPolarHBondContact O-CA 3.39Å; R704-C708 WeakPolarHBondContact O-CB 3.47Å; R704-C708 PolarHBondContact O-N 2.75Å
705	A	80.9	Confident	68.7	Low	18 Å²	18	76 Å²	76	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-46	178.1	0	0	0	0	0	110.7	L687 L689 L694 Y697 Q701 Q702	L687-A705 HydrophobicContact CD1-CB 4.06Å; L687-A705 VanDerWaalsContact CD2-O 3.23Å; L687-A705 WeakPolarHBondContact CD2-O 3.02Å; L689-A705 HydrophobicContact CD1-CB 4.26Å; L694-A705 HydrophobicContact CD1-CB 4.38Å; Y697-A705 HydrophobicContact CD2-CB 4.47Å; Y697-A705 HydrophobicContact CE2-CB 4.33Å; Q701-A705 WeakPolarHBondContact O-CB 3.32Å; Q701-A705 PolarHBondContact O-N 3.35Å; Q702-A705 PolarHBondContact O-N 2.88Å
706	L	76.4	Confident	66.3	Low	17 Å²	17	71.3 Å²	71.3	9%	0.089	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-36.3	-178.8	-68.3	167.7	0	0	0	113.7	L669 L683 L687 Q702 M703 R704 L717	L669-L706 HydrophobicContact CD2-CD1 4.17Å; L683-L706 HydrophobicContact CD1-CD2 3.8Å; L683-L706 HydrophobicContact CD2-CD2 4.04Å; L683-L706 HydrophobicContact CG-CD2 4.22Å; L687-L706 HydrophobicContact CD1-CD2 3.89Å; L687-L706 HydrophobicContact CD1-CG 4.42Å; Q702-L706 WeakPolarHBondContact O-CB 3.5Å; Q702-L706 WeakPolarHBondContact O-CG 3.49Å; Q702-L706 PolarHBondContact O-N 3.33Å; M703-L706 PolarHBondContact O-N 3.04Å; R704-L706 VanDerWaalsContact C-N 3.32Å; R704-L706 PolarHBondContact O-N 3.22Å; L706-L717 WeakPolarHBondContact O-CD1 3.32Å
707	F	71.4	Confident	64.1	Low	65 Å²	65	69.3 Å²	69.3	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-116.7	-20.2	-170.6	-61.7	-71.4	0	0	0	115.6	I647 I651 M703 R704	I647-F707 HydrophobicContact CG2-CE1 3.92Å; I651-F707 HydrophobicContact CD1-CD2 4.39Å; I651-F707 HydrophobicContact CD1-CE1 4.13Å; I651-F707 HydrophobicContact CD1-CE2 3.2Å; I651-F707 HydrophobicContact CD1-CZ 3.06Å; I651-F707 HydrophobicContact CG1-CZ 4.44Å; M703-F707 HydrophobicContact CE-CD2 3.57Å; M703-F707 HydrophobicContact CE-CE2 3.56Å; M703-F707 WeakPolarHBondContact O-CB 3.31Å; M703-F707 VanDerWaalsContact O-CD2 3.22Å; M703-F707 WeakPolarHBondContact O-CD2 3.02Å; M703-F707 PolarHBondContact O-N 2.95Å; M703-F707 HydrophobicContact SD-CD2 4.22Å; M703-F707 HydrophobicContact SD-CE2 3.91Å; R704-F707 PolarHBondContact O-N 2.7Å
708	C	69.3	Low	61.8	Low	40 Å²	40	68.1 Å²	68.1	27%	0.27	33%	0.327	S	S	.	.	H	α-helix	trans	-105.7	2	-179.5	-62.2	0	0	0	0	114.5	Y608 C610 R704	Y608-C708 WeakPolarHBondContact CD1-SG 3.45Å; C610-C708 HydrophobicContact CB-CB 3.68Å; C610-C708 WeakPolarHBondContact CB-SG 3.36Å; C610-C708 WeakPolarHBondContact SG-CA 2.8Å; C610-C708 WeakPolarHBondContact SG-CB 3.28Å; C610-C708 CovalentContact SG-SG 2.03Å; C610-C708 PolarHBondContact SG-SG 3.03Å; R704-C708 HydrophobicContact CB-CB 4.41Å; R704-C708 VanDerWaalsContact O-CA 3.24Å; R704-C708 WeakPolarHBondContact O-CA 3.39Å; R704-C708 WeakPolarHBondContact O-CB 3.47Å; R704-C708 PolarHBondContact O-N 2.75Å
709	G	56.8	Low	59.7	Low	25 Å²	25	73.6 Å²	73.6	26%	0.258	34%	0.342	S	S	.	.			trans	-57.7	152.3	-179.2	0	0	0	0	0	114.3
710	N	51.7	Low	58.2	Low	137 Å²	137	75.9 Å²	75.9	73%	0.733	35%	0.351	S	S	*	.			trans	-51.3	148.5	-177.7	-124.9	-25.3	0	0	0	112.3	R712 V713	N710-R712 PolarHBondContact O-N 3.11Å; N710-V713 WeakPolarHBondContact O-CB 3.37Å; N710-V713 PolarHBondContact O-N 3.3Å
711	H	47	Very low	56.6	Low	144 Å²	144	75.6 Å²	75.6	67%	0.667	35%	0.351	S	S	*	.	H	α-helix	trans	-49.3	-22.8	-174	-81.8	-87.5	0	0	0	116.1	K714	H711-K714 PolarHBondContact O-N 2.96Å
712	R	42.1	Very low	54.6	Low	233 Å²	233	75.7 Å²	75.7	88%	0.879	35%	0.354	S	S	*	.	H	α-helix	trans	-64.5	-36.5	171.7	-81	-176.2	176.4	170.1	-1	113.1	N710 R715	N710-R712 PolarHBondContact O-N 3.11Å; R712-R715 PolarHBondContact O-N 3.37Å
713	V	47.4	Very low	52.6	Low	21 Å²	21	79.4 Å²	79.4	13%	0.127	38%	0.378	C	S	.	.	H	α-helix	trans	-71.6	-33.5	178.9	-172	0	0	0	0	111.2	L686 L687 N710 R715 G716 L717	L686-V713 WeakPolarHBondContact O-CG2 3.33Å; L687-V713 HydrophobicContact CD2-CG1 3.79Å; N710-V713 WeakPolarHBondContact O-CB 3.37Å; N710-V713 PolarHBondContact O-N 3.3Å; V713-R715 PolarHBondContact O-N 3.31Å; V713-G716 PolarHBondContact O-N 2.91Å; V713-L717 HydrophobicContact CG1-CD1 3.54Å; V713-L717 HydrophobicContact CG1-CG 4.06Å; V713-L717 PolarHBondContact O-N 3.12Å
714	K	41.5	Very low	50.6	Low	127 Å²	127	87.1 Å²	87.1	55%	0.552	41%	0.414	S	S	*	.	H	α-helix	trans	-57.3	-31.5	174.4	-78.4	-174.1	176.4	178.4	0	113.2	H711 S718	H711-K714 PolarHBondContact O-N 2.96Å; K714-S718 WeakPolarHBondContact O-CB 3.39Å; K714-S718 PolarHBondContact O-OG 2.93Å; K714-S718 VanDerWaalsContact O-OG 3.07Å
715	R	39.8	Very low	48.6	Very low	197 Å²	197	90 Å²	90	74%	0.743	44%	0.435	S	S	*	.	H	α-helix	trans	-79.2	-23.8	174.9	-68.4	-176	-176.9	166.4	1	113.4	R712 V713 S718 R719	R712-R715 PolarHBondContact O-N 3.37Å; V713-R715 PolarHBondContact O-N 3.31Å; R715-S718 PolarHBondContact O-OG 3.43Å; R715-R719 WeakPolarHBondContact O-CG 3.08Å
716	G	40.1	Very low	46.2	Very low	15 Å²	15	98.5 Å²	98.5	16%	0.155	47%	0.468	C	S	.	.	H	α-helix	trans	-86.6	-43.5	179.2	0	0	0	0	0	113.3	V713 R719 L720	V713-G716 PolarHBondContact O-N 2.91Å; G716-R719 CarbonylContact O-C 3.5Å; G716-R719 WeakPolarHBondContact O-CA 3.33Å; G716-R719 WeakPolarHBondContact O-CB 3.44Å; G716-R719 PolarHBondContact O-N 3.45Å; G716-L720 PolarHBondContact O-N 3.22Å
717	L	42.2	Very low	44.2	Very low	23 Å²	23	107.6 Å²	107.6	12%	0.12	52%	0.524	C	S	.	.	H	α-helix	trans	-68.5	-36.7	177.9	-83.3	163.2	0	0	0	112.5	L683 L687 L706 V713 R719 L720 I721	L683-L717 HydrophobicContact CD1-CD2 4.05Å; L687-L717 HydrophobicContact CD2-CD1 4.22Å; L706-L717 WeakPolarHBondContact O-CD1 3.32Å; V713-L717 HydrophobicContact CG1-CD1 3.54Å; V713-L717 HydrophobicContact CG1-CG 4.06Å; V713-L717 PolarHBondContact O-N 3.12Å; L717-R719 PolarHBondContact O-N 3.15Å; L717-L720 PolarHBondContact O-N 3.24Å; L717-L720 VanDerWaalsContact O-N 3.1Å; L717-I721 PolarHBondContact O-N 2.87Å
718	S	40.1	Very low	42.8	Very low	25 Å²	25	109.8 Å²	109.8	18%	0.175	54%	0.536	C	S	.	.	H	α-helix	trans	-61.1	-28	170.1	62.1	0	0	0	0	111.9	Y643 K714 R715 L722	Y643-S718 VanDerWaalsContact OH-CB 3.26Å; Y643-S718 WeakPolarHBondContact OH-CB 3.48Å; Y643-S718 PolarHBondContact OH-OG 2.92Å; K714-S718 WeakPolarHBondContact O-CB 3.39Å; K714-S718 PolarHBondContact O-OG 2.93Å; K714-S718 VanDerWaalsContact O-OG 3.07Å; R715-S718 PolarHBondContact O-OG 3.43Å; S718-L722 VanDerWaalsContact O-CB 3.27Å; S718-L722 WeakPolarHBondContact O-CB 3.41Å; S718-L722 WeakPolarHBondContact O-CD1 3.31Å; S718-L722 PolarHBondContact O-N 3.47Å
719	R	35.7	Very low	41.4	Very low	195 Å²	195	113.4 Å²	113.4	74%	0.736	55%	0.55	S	S	*	*	H	α-helix	trans	-87.2	3.1	176.6	-76.2	-177.3	177.7	-167.1	-0.6	114.4	R715 G716 L717 P723	R715-R719 WeakPolarHBondContact O-CG 3.08Å; G716-R719 CarbonylContact O-C 3.5Å; G716-R719 WeakPolarHBondContact O-CA 3.33Å; G716-R719 WeakPolarHBondContact O-CB 3.44Å; G716-R719 PolarHBondContact O-N 3.45Å; L717-R719 PolarHBondContact O-N 3.15Å; R719-P723 WeakPolarHBondContact O-CD 3.34Å; R719-P723 WeakPolarHBondContact O-CG 3.27Å
720	L	44.9	Very low	40.5	Very low	83 Å²	83	118.3 Å²	118.3	44%	0.435	57%	0.566	S	S	.	*	H	α-helix	trans	-120.6	-25	174.6	-95.4	149.5	0	0	0	113.4	L682 L686 G716 L717	L682-L720 HydrophobicContact CD2-CD1 3.89Å; L682-L720 HydrophobicContact CD2-CD2 3.62Å; L682-L720 HydrophobicContact CD2-CG 4.39Å; L682-L720 HydrophobicContact CG-CD1 4.01Å; L686-L720 HydrophobicContact CD1-CD1 2.99Å; L686-L720 HydrophobicContact CD1-CG 4.44Å; L686-L720 HydrophobicContact CD2-CD1 4.43Å; L686-L720 HydrophobicContact CG-CD1 4.26Å; G716-L720 PolarHBondContact O-N 3.22Å; L717-L720 PolarHBondContact O-N 3.24Å; L717-L720 VanDerWaalsContact O-N 3.1Å
721	I	41.2	Very low	39.9	Very low	64 Å²	64	117.2 Å²	117.2	33%	0.328	56%	0.557	S	S	.	*	H	α-helix	trans	-84.7	-23.2	172.1	-56.7	173	0	0	0	110.7	L717	L717-I721 PolarHBondContact O-N 2.87Å
722	L	42.8	Very low	39.5	Very low	87 Å²	87	115.6 Å²	115.6	46%	0.455	55%	0.55	S	S	.	.	S	Bend	trans	-90.3	-38.4	177.6	-82.7	94.2	0	0	0	117.2	A646 S718 Q724	A646-L722 HydrophobicContact CB-CD1 4.33Å; S718-L722 VanDerWaalsContact O-CB 3.27Å; S718-L722 WeakPolarHBondContact O-CB 3.41Å; S718-L722 WeakPolarHBondContact O-CD1 3.31Å; S718-L722 PolarHBondContact O-N 3.47Å; L722-Q724 PolarHBondContact O-N 2.95Å
723	P	38.3	Very low	39.3	Very low	79 Å²	79	107.7 Å²	107.7	51%	0.513	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	45.7	-164.5	37	-29.3	0	0	0	114.5	R719	R719-P723 WeakPolarHBondContact O-CD 3.34Å; R719-P723 WeakPolarHBondContact O-CG 3.27Å
724	Q	35.8	Very low	38.7	Very low	164 Å²	164	113.9 Å²	113.9	77%	0.766	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	15.6	144.7	-72.8	-158.2	-21	0	0	112.1	L722	L722-Q724 PolarHBondContact O-N 2.95Å
725	L	35.9	Very low	38.5	Very low	132 Å²	132	112.9 Å²	112.9	69%	0.691	56%	0.557	S	S	*	*	S	Bend	trans	-88.4	7.6	173	-85.4	161.9	0	0	0	114.7
726	F	30	Very low	38.4	Very low	196 Å²	196	105.9 Å²	105.9	86%	0.86	54%	0.541	S	S	*	.			trans	-144.5	59.5	176.1	-78.4	-77.7	0	0	0	112.5
727	V	33.6	Very low	38.2	Very low	208 Å²	208	114.2 Å²	114.2	100%	1.261	58%	0.576	S	S	*	*			trans	-154.8	0	139.7	-175.1	0	0	0	0	105.3

Retrieved 727 of 727 residues in 1246.2 ms (Link to these results)

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