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Calpain

Calpains are calcium-activated non-lysosomal thiol-proteases.

AlphaFold DB , UniProt , Accession P27730, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 758 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	28.9	Very low	255 Å²	255	147.5 Å²	147.5	100%	1.256	77%	0.767	S	S	*	*				0	93.1	0	-71.1	-177.1	-164.7	0	0	109
2	G	33.2	Very low	29.8	Very low	69 Å²	69	150.3 Å²	150.3	71%	0.711	77%	0.774	S	S	*	*			trans	-127.3	99	162	0	0	0	0	0	105.8	I4	G2-I4 PolarHBondContact O-N 2.76Å
3	R	26.3	Very low	30	Very low	255 Å²	255	146.6 Å²	146.6	96%	0.962	76%	0.757	S	S	*	*			trans	-66.1	103.1	172.5	-88.5	-177.6	173.7	174.6	-2.3	106.4	Q5	R3-Q5 PolarHBondContact O-N 3.14Å
4	I	28	Very low	29.9	Very low	151 Å²	151	141 Å²	141	77%	0.774	73%	0.732	S	S	*	*			trans	-66.6	104.4	165.7	-61.2	176.7	0	0	0	105.4	G2 I6	G2-I4 PolarHBondContact O-N 2.76Å; I4-I6 HydrophobicContact CG2-CG1 3.82Å; I4-I6 PolarHBondContact O-N 3.27Å
5	Q	24.2	Very low	30.1	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	74%	0.74	S	S	*	*			trans	-80.3	94.4	171.4	-124.7	177.6	-8.4	0	0	106.4	R3 V7	R3-Q5 PolarHBondContact O-N 3.14Å; Q5-V7 PolarHBondContact O-N 2.82Å
6	I	26.5	Very low	29.9	Very low	111 Å²	111	135 Å²	135	57%	0.569	74%	0.735	S	S	*	*			trans	-75.7	101.5	169	-53	177.8	0	0	0	106	I4 Y8	I4-I6 HydrophobicContact CG2-CG1 3.82Å; I4-I6 PolarHBondContact O-N 3.27Å; I6-Y8 HydrophobicContact CB-CD2 4.25Å; I6-Y8 HydrophobicContact CB-CE2 3.94Å; I6-Y8 HydrophobicContact CG2-CD2 3.64Å; I6-Y8 HydrophobicContact CG2-CE1 4.25Å; I6-Y8 HydrophobicContact CG2-CE2 3.3Å; I6-Y8 HydrophobicContact CG2-CG 4.24Å; I6-Y8 PolarHBondContact O-N 3.32Å; I6-Y8 VanDerWaalsContact O-N 3.15Å
7	V	25.7	Very low	29.6	Very low	127 Å²	127	139.5 Å²	139.5	77%	0.77	74%	0.739	S	S	*	*			trans	-80.1	89.8	173.1	-175.9	0	0	0	0	106.7	Q5 S9	Q5-V7 PolarHBondContact O-N 2.82Å; V7-S9 PolarHBondContact O-N 3.22Å
8	Y	27.9	Very low	29.8	Very low	194 Å²	194	139.8 Å²	139.8	76%	0.761	75%	0.747	S	S	*	*			trans	-71.4	114	163.8	-71.5	-80.9	0	0	0	107.9	I6	I6-Y8 HydrophobicContact CB-CD2 4.25Å; I6-Y8 HydrophobicContact CB-CE2 3.94Å; I6-Y8 HydrophobicContact CG2-CD2 3.64Å; I6-Y8 HydrophobicContact CG2-CE1 4.25Å; I6-Y8 HydrophobicContact CG2-CE2 3.3Å; I6-Y8 HydrophobicContact CG2-CG 4.24Å; I6-Y8 PolarHBondContact O-N 3.32Å; I6-Y8 VanDerWaalsContact O-N 3.15Å
9	S	32	Very low	30	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-90.4	133.3	150.4	-170.5	0	0	0	0	106.4	V7	V7-S9 PolarHBondContact O-N 3.22Å
10	P	32.1	Very low	30.1	Very low	111 Å²	111	138.4 Å²	138.4	72%	0.721	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-56	137.4	-176.2	-21.1	30.9	0	0	0	112.2
11	D	32.7	Very low	30.4	Very low	73 Å²	73	137.7 Å²	137.7	39%	0.39	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-74.4	120	174.2	-159.7	-25	0	0	0	109.2	N13 E741	D11-N13 VanDerWaalsContact C-N 3.34Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 3.48Å; D11-E741 VanDerWaalsContact CB-OE1 3.26Å; D11-E741 WeakPolarHBondContact CB-OE1 3.44Å
12	E	39.3	Very low	31	Very low	182 Å²	182	129.4 Å²	129.4	85%	0.85	71%	0.71	S	S	*	*	S	Bend	trans	-91.9	8.5	174.1	-73.1	-173.5	170.7	0	0	112.5
13	N	32.7	Very low	31.3	Very low	102 Å²	102	134.6 Å²	134.6	55%	0.545	71%	0.713	S	S	.	*			trans	-95.1	8.8	174.2	-65.3	-53.5	0	0	0	114.4	D11 S15	D11-N13 VanDerWaalsContact C-N 3.34Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 3.48Å; N13-S15 PolarHBondContact O-N 2.94Å
14	V	29.2	Very low	32.2	Very low	68 Å²	68	128.8 Å²	128.8	41%	0.412	70%	0.696	S	S	.	*	S	Bend	trans	-68.5	118.8	152.4	-173.8	0	0	0	0	106.3	G16 E741	V14-G16 PolarHBondContact O-N 3.05Å; V14-E741 HydrophobicContact CG2-CB 3.56Å; V14-E741 HydrophobicContact CG2-CG 3.57Å
15	S	32.1	Very low	33.3	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	67%	0.671	S	S	*	*			trans	-51.7	73	179.5	49.3	0	0	0	0	113.3	N13 R17	N13-S15 PolarHBondContact O-N 2.94Å; S15-R17 PolarHBondContact O-N 3.01Å
16	G	26.5	Very low	34.7	Very low	64 Å²	64	118.8 Å²	118.8	66%	0.66	65%	0.654	S	S	*	*			trans	-98.6	85.6	-179.4	0	0	0	0	0	110.1	V14	V14-G16 PolarHBondContact O-N 3.05Å
17	R	26.1	Very low	35.7	Very low	211 Å²	211	115.8 Å²	115.8	80%	0.796	64%	0.639	S	S	*	*			trans	35.6	102.2	156	-66.3	176.9	175	172.4	-0.2	115.4	S15 N19	S15-R17 PolarHBondContact O-N 3.01Å; R17-N19 VanDerWaalsContact C-N 3.34Å; R17-N19 PolarHBondContact O-N 3.28Å
18	T	32.1	Very low	36.8	Very low	146 Å²	146	116 Å²	116	90%	0.896	64%	0.643	S	S	*	*			trans	-59.3	105.1	148.8	45.9	0	0	0	0	107.2	R20	T18-R20 PolarHBondContact O-N 2.83Å; T18-R20 VanDerWaalsContact O-N 3.16Å
19	N	34	Very low	37.9	Very low	74 Å²	74	118.1 Å²	118.1	40%	0.396	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-66.5	117	-174.6	-76.6	-58.9	0	0	0	109	R17 V25	R17-N19 VanDerWaalsContact C-N 3.34Å; R17-N19 PolarHBondContact O-N 3.28Å; N19-V25 HydrophobicContact CB-CG2 4.25Å; N19-V25 VanDerWaalsContact CG-CG2 3.5Å; N19-V25 WeakPolarHBondContact OD1-CG2 3.37Å
20	R	33.1	Very low	39.6	Very low	177 Å²	177	117.2 Å²	117.2	67%	0.668	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-47.8	135.8	170.9	-70.3	-178	177.9	-171.1	-2.9	110	T18 G22	T18-R20 PolarHBondContact O-N 2.83Å; T18-R20 VanDerWaalsContact O-N 3.16Å; R20-G22 PolarHBondContact O-N 3.13Å
21	P	34.9	Very low	40.8	Very low	123 Å²	123	114.5 Å²	114.5	80%	0.799	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	130.3	-174.9	21.1	-30.7	0	0	0	111.4
22	G	41.7	Very low	41.9	Very low	82 Å²	82	120.2 Å²	120.2	85%	0.845	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	101.6	-3.9	170.3	0	0	0	0	0	117.2	R20	R20-G22 PolarHBondContact O-N 3.13Å
23	K	40.8	Very low	42.7	Very low	177 Å²	177	115.7 Å²	115.7	77%	0.77	63%	0.629	S	S	*	*			trans	-92	116.5	168.8	-82.3	-171.7	176.1	-178.9	0	111	V25	K23-V25 PolarHBondContact O-N 3.14Å
24	E	44.8	Very low	43.3	Very low	133 Å²	133	114.8 Å²	114.8	62%	0.621	62%	0.623	S	S	*	*			trans	-56.3	114.5	165.8	-70.4	-175.3	159.4	0	0	109.4	I33	E24-I33 HydrophobicContact CB-CG2 3.74Å; E24-I33 HydrophobicContact CG-CG2 3.76Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.29Å
25	V	50.5	Low	43.8	Very low	41 Å²	41	120.4 Å²	120.4	25%	0.248	64%	0.642	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	118.6	177.3	-179.1	0	0	0	0	107.7	N19 K23 I34 V36	N19-V25 HydrophobicContact CB-CG2 4.25Å; N19-V25 VanDerWaalsContact CG-CG2 3.5Å; N19-V25 WeakPolarHBondContact OD1-CG2 3.37Å; K23-V25 PolarHBondContact O-N 3.14Å; V25-I34 HydrophobicContact CB-CB 4.28Å; V25-I34 HydrophobicContact CG1-CD1 4.19Å; V25-I34 WeakPolarHBondContact O-CA 3.49Å; V25-I34 VanDerWaalsContact O-CB 3.29Å; V25-I34 WeakPolarHBondContact O-CB 3.19Å; V25-I34 PolarHBondContact O-N 3.48Å; V25-V36 HydrophobicContact CG2-CG2 4.41Å
26	V	53.3	Low	44.2	Very low	75 Å²	75	119.1 Å²	119.1	46%	0.455	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.9	125	179.8	-177	0	0	0	0	109.1	P28 R32 I33	V26-P28 WeakPolarHBondContact O-CD 3.25Å; V26-R32 WeakPolarHBondContact CA-O 3.35Å; V26-I33 HydrophobicContact CG2-CG1 4.18Å
27	D	47.9	Very low	44.7	Very low	48 Å²	48	125 Å²	125	26%	0.257	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-61.4	117.5	172	173.4	-9.7	0	0	0	109.6	R29 T30 G31 R32 I34	D27-R29 PolarHBondContact O-N 3.36Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 PolarHBondContact OD1-N 2.77Å; D27-T30 WeakPolarHBondContact CB-OG1 3.05Å; D27-T30 PolarHBondContact O-N 3.37Å; D27-T30 PolarHBondContact OD1-N 2.79Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.42Å; D27-T30 PolarHBondContact OD2-OG1 3.44Å; D27-G31 WeakPolarHBondContact O-CA 3.46Å; D27-G31 PolarHBondContact O-N 3.15Å; D27-R32 PolarHBondContact N-O 2.8Å; D27-I34 HydrophobicContact CB-CD1 4.2Å
28	P	48.9	Very low	45.2	Very low	131 Å²	131	125.5 Å²	125.5	85%	0.851	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-16.2	-175.1	25.5	-32.4	0	0	0	114	V26	V26-P28 WeakPolarHBondContact O-CD 3.25Å
29	R	51	Low	45.5	Very low	238 Å²	238	126.5 Å²	126.5	90%	0.898	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-31	177.5	-65.3	179.7	179.3	168.7	1.7	112.8	D27	D27-R29 PolarHBondContact O-N 3.36Å; D27-R29 WeakPolarHBondContact OD1-CB 3.47Å; D27-R29 PolarHBondContact OD1-N 2.77Å
30	T	67.7	Low	46	Very low	84 Å²	84	126.8 Å²	126.8	52%	0.515	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.8	-12.9	-172.9	69.2	0	0	0	0	114.7	D27 R32	D27-T30 WeakPolarHBondContact CB-OG1 3.05Å; D27-T30 PolarHBondContact O-N 3.37Å; D27-T30 PolarHBondContact OD1-N 2.79Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.42Å; D27-T30 PolarHBondContact OD2-OG1 3.44Å; T30-R32 PolarHBondContact O-N 3.19Å
31	G	57.3	Low	46.5	Very low	53 Å²	53	120.9 Å²	120.9	55%	0.546	62%	0.622	S	S	.	*			trans	69	9	-177.2	0	0	0	0	0	114.3	D27	D27-G31 WeakPolarHBondContact O-CA 3.46Å; D27-G31 PolarHBondContact O-N 3.15Å
32	R	55.3	Low	47.2	Very low	193 Å²	193	118 Å²	118	73%	0.728	60%	0.6	S	S	*	*			trans	-81.9	135.6	-179.8	-73.6	-175.7	174.7	-179.7	-0.4	111.5	V26 D27 T30 I34	V26-R32 WeakPolarHBondContact CA-O 3.35Å; D27-R32 PolarHBondContact N-O 2.8Å; T30-R32 PolarHBondContact O-N 3.19Å; R32-I34 PolarHBondContact O-N 3.25Å
33	I	56.8	Low	47.7	Very low	87 Å²	87	116.3 Å²	116.3	45%	0.446	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.4	114.4	170.4	-65.6	161.2	0	0	0	109.1	E24 V26 K35	E24-I33 HydrophobicContact CB-CG2 3.74Å; E24-I33 HydrophobicContact CG-CG2 3.76Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.29Å; V26-I33 HydrophobicContact CG2-CG1 4.18Å; I33-K35 PolarHBondContact O-N 3.47Å
34	I	44.7	Very low	48.1	Very low	84 Å²	84	110 Å²	110	43%	0.431	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	109	171.2	-58.4	164.1	0	0	0	107.3	V25 D27 R32 V36	V25-I34 HydrophobicContact CB-CB 4.28Å; V25-I34 HydrophobicContact CG1-CD1 4.19Å; V25-I34 WeakPolarHBondContact O-CA 3.49Å; V25-I34 VanDerWaalsContact O-CB 3.29Å; V25-I34 WeakPolarHBondContact O-CB 3.19Å; V25-I34 PolarHBondContact O-N 3.48Å; D27-I34 HydrophobicContact CB-CD1 4.2Å; R32-I34 PolarHBondContact O-N 3.25Å; I34-V36 HydrophobicContact CG2-CG2 4.3Å; I34-V36 PolarHBondContact O-N 2.99Å
35	K	41	Very low	48.5	Very low	186 Å²	186	105.6 Å²	105.6	81%	0.809	52%	0.523	S	S	*	.			trans	-79.4	101.1	170.1	-71.2	-173.3	176.6	-175.5	0	108.9	I33 K37	I33-K35 PolarHBondContact O-N 3.47Å; K35-K37 PolarHBondContact O-N 2.84Å
36	V	39.3	Very low	48.8	Very low	94 Å²	94	107.5 Å²	107.5	57%	0.57	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-73.5	122.9	173.2	-173.6	0	0	0	0	108.3	V25 I34	V25-V36 HydrophobicContact CG2-CG2 4.41Å; I34-V36 HydrophobicContact CG2-CG2 4.3Å; I34-V36 PolarHBondContact O-N 2.99Å
37	K	38.6	Very low	48.7	Very low	187 Å²	187	107.3 Å²	107.3	81%	0.813	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-76.3	141.9	173.7	-100.9	-176.2	172.4	-175.1	0	109.1	K35 E39	K35-K37 PolarHBondContact O-N 2.84Å; K37-E39 PolarHBondContact O-N 2.95Å
38	R	34.9	Very low	48.5	Very low	222 Å²	222	107.5 Å²	107.5	84%	0.838	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-60.1	122.3	167.3	-99.1	-178.2	169.6	177.1	-7	108.5
39	E	39.7	Very low	48.7	Very low	168 Å²	168	107.4 Å²	107.4	79%	0.785	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-80.3	143.6	169.6	-67.3	-176.6	178.1	0	0	109.5	K37 D43	K37-E39 PolarHBondContact O-N 2.95Å; E39-D43 WeakPolarHBondContact CA-OD2 3.32Å; E39-D43 HydrophobicContact CB-CB 3.99Å; E39-D43 HydrophobicContact CG-CB 4.13Å
40	T	44.9	Very low	48.7	Very low	80 Å²	80	98.9 Å²	98.9	49%	0.491	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-99	160.9	174.9	58.1	0	0	0	0	108.6	D42 D43	T40-D42 PolarHBondContact O-N 3.14Å; T40-D43 PolarHBondContact N-OD2 3.36Å; T40-D43 PolarHBondContact O-N 3.23Å; T40-D43 PolarHBondContact OG1-OD2 2.8Å
41	P	42.5	Very low	48.1	Very low	53 Å²	53	101 Å²	101	34%	0.344	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-14.5	175.3	-22.5	28.5	0	0	0	114.8	Y44 S554	P41-Y44 WeakPolarHBondContact O-CD1 3.28Å; P41-Y44 WeakPolarHBondContact O-CE1 3.24Å; P41-S554 WeakPolarHBondContact CG-OG 3.41Å
42	D	49.6	Very low	47.5	Very low	62 Å²	62	107.6 Å²	107.6	33%	0.332	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-5.7	-178.4	-65.1	-37.3	0	0	0	114.1	T40 Y44 L45	T40-D42 PolarHBondContact O-N 3.14Å; D42-Y44 PolarHBondContact O-N 3.17Å; D42-L45 HydrophobicContact CB-CD1 4.18Å; D42-L45 VanDerWaalsContact O-CB 3.28Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 WeakPolarHBondContact O-CG 3.48Å; D42-L45 PolarHBondContact O-N 3.17Å
43	D	52	Low	47.2	Very low	46 Å²	46	99.1 Å²	99.1	25%	0.246	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-62.9	-22.2	-173.7	-91.4	-52.2	0	0	0	113.7	E39 T40 L45 N46	E39-D43 WeakPolarHBondContact CA-OD2 3.32Å; E39-D43 HydrophobicContact CB-CB 3.99Å; E39-D43 HydrophobicContact CG-CB 4.13Å; T40-D43 PolarHBondContact N-OD2 3.36Å; T40-D43 PolarHBondContact O-N 3.23Å; T40-D43 PolarHBondContact OG1-OD2 2.8Å; D43-L45 PolarHBondContact O-N 3.25Å; D43-L45 VanDerWaalsContact O-N 3.15Å; D43-N46 VanDerWaalsContact O-CB 3.28Å; D43-N46 WeakPolarHBondContact O-CB 3.36Å; D43-N46 PolarHBondContact O-N 3.18Å; D43-N46 PolarHBondContact O-ND2 2.9Å; D43-N46 PolarHBondContact OD1-ND2 3.04Å
44	Y	50.5	Low	46.9	Very low	45 Å²	45	101.4 Å²	101.4	18%	0.176	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-53.6	-28.8	170.1	93.8	-111	0	0	0	113.8	P41 D42 N46 V47 L48 P69	P41-Y44 WeakPolarHBondContact O-CD1 3.28Å; P41-Y44 WeakPolarHBondContact O-CE1 3.24Å; D42-Y44 PolarHBondContact O-N 3.17Å; Y44-N46 PolarHBondContact O-N 2.73Å; Y44-V47 WeakPolarHBondContact O-CB 3.36Å; Y44-V47 PolarHBondContact O-N 2.59Å; Y44-V47 VanDerWaalsContact O-N 3.1Å; Y44-L48 HydrophobicContact CD2-CD1 4.28Å; Y44-L48 HydrophobicContact CE2-CD1 4.1Å; Y44-P69 VanDerWaalsContact CB-CG 3.46Å; Y44-P69 HydrophobicContact CD2-CB 3.51Å; Y44-P69 VanDerWaalsContact CD2-CD 3.43Å; Y44-P69 HydrophobicContact CD2-CG 3.62Å; Y44-P69 HydrophobicContact CE2-CB 4.25Å; Y44-P69 HydrophobicContact CG-CB 4.22Å; Y44-P69 HydrophobicContact CG-CG 3.8Å
45	L	51.8	Low	47.6	Very low	41 Å²	41	107 Å²	107	22%	0.215	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.7	176.1	-67.8	172.7	0	0	0	111.9	D42 D43 V47 L48 K49 Y403	D42-L45 HydrophobicContact CB-CD1 4.18Å; D42-L45 VanDerWaalsContact O-CB 3.28Å; D42-L45 WeakPolarHBondContact O-CB 3.47Å; D42-L45 WeakPolarHBondContact O-CG 3.48Å; D42-L45 PolarHBondContact O-N 3.17Å; D43-L45 PolarHBondContact O-N 3.25Å; D43-L45 VanDerWaalsContact O-N 3.15Å; L45-V47 VanDerWaalsContact C-N 3.32Å; L45-L48 HydrophobicContact CD2-CD1 4.22Å; L45-L48 PolarHBondContact O-N 2.93Å; L45-K49 PolarHBondContact O-N 3.13Å; L45-Y403 HydrophobicContact CD1-CD1 4.1Å; L45-Y403 HydrophobicContact CD1-CD2 3.72Å; L45-Y403 HydrophobicContact CD1-CE1 3.94Å; L45-Y403 HydrophobicContact CD1-CE2 3.53Å; L45-Y403 HydrophobicContact CD1-CG 4.01Å; L45-Y403 HydrophobicContact CD2-CD1 4.31Å; L45-Y403 HydrophobicContact CD2-CE1 4.24Å
46	N	57.5	Low	47.4	Very low	80 Å²	80	108 Å²	108	43%	0.428	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-68.5	-32.5	175.4	-65.7	-49.1	0	0	0	112	D43 Y44 L48 K49	D43-N46 VanDerWaalsContact O-CB 3.28Å; D43-N46 WeakPolarHBondContact O-CB 3.36Å; D43-N46 PolarHBondContact O-N 3.18Å; D43-N46 PolarHBondContact O-ND2 2.9Å; D43-N46 PolarHBondContact OD1-ND2 3.04Å; Y44-N46 PolarHBondContact O-N 2.73Å; N46-L48 PolarHBondContact O-N 3.23Å; N46-K49 WeakPolarHBondContact O-CB 3.24Å; N46-K49 PolarHBondContact O-N 3.37Å; N46-K49 PolarHBondContact OD1-NZ 2.87Å
47	V	51	Low	47.2	Very low	72 Å²	72	109.8 Å²	109.8	44%	0.436	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.2	176.5	-172.1	0	0	0	0	111.4	Y44 L45 L63	Y44-V47 WeakPolarHBondContact O-CB 3.36Å; Y44-V47 PolarHBondContact O-N 2.59Å; Y44-V47 VanDerWaalsContact O-N 3.1Å; L45-V47 VanDerWaalsContact C-N 3.32Å; V47-L63 HydrophobicContact CG1-CD2 3.9Å
48	L	44.6	Very low	47.4	Very low	52 Å²	52	106.8 Å²	106.8	27%	0.272	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.3	176.3	-61.2	178.5	0	0	0	113.5	Y44 L45 N46 P69 Y72	Y44-L48 HydrophobicContact CD2-CD1 4.28Å; Y44-L48 HydrophobicContact CE2-CD1 4.1Å; L45-L48 HydrophobicContact CD2-CD1 4.22Å; L45-L48 PolarHBondContact O-N 2.93Å; N46-L48 PolarHBondContact O-N 3.23Å; L48-P69 HydrophobicContact CD2-CB 4.45Å; L48-Y72 HydrophobicContact CD1-CD1 4.45Å
49	K	53	Low	47.9	Very low	128 Å²	128	103.4 Å²	103.4	56%	0.557	51%	0.512	S	S	*	.	S	Bend	trans	-68	127.2	178.1	-71.5	174.9	-179.1	163	0	109	L45 N46 I51	L45-K49 PolarHBondContact O-N 3.13Å; N46-K49 WeakPolarHBondContact O-CB 3.24Å; N46-K49 PolarHBondContact O-N 3.37Å; N46-K49 PolarHBondContact OD1-NZ 2.87Å; K49-I51 PolarHBondContact O-N 2.85Å
50	P	49.3	Very low	48.2	Very low	60 Å²	60	98.8 Å²	98.8	39%	0.39	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-60.4	128.6	177.3	21.2	-29.5	0	0	0	110.1	M57 F59	P50-M57 HydrophobicContact CB-CB 4.02Å; P50-M57 HydrophobicContact CB-CG 3.94Å; P50-M57 HydrophobicContact CB-SD 3.66Å; P50-M57 HydrophobicContact CG-CG 4.5Å; P50-M57 HydrophobicContact CG-SD 3.63Å; P50-F59 HydrophobicContact CB-CE1 4.03Å; P50-F59 HydrophobicContact CB-CZ 4.18Å; P50-F59 HydrophobicContact CG-CE1 4.47Å
51	I	55	Low	48.2	Very low	127 Å²	127	99.9 Å²	99.9	65%	0.651	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.5	175.4	-56.2	175.3	0	0	0	107.2	K49 G53 E58	K49-I51 PolarHBondContact O-N 2.85Å; I51-G53 PolarHBondContact O-N 3.31Å; I51-E58 PolarHBondContact N-O 3.36Å; I51-E58 VanDerWaalsContact N-O 3.1Å; I51-E58 PolarHBondContact O-N 2.89Å; I51-E58 VanDerWaalsContact O-N 3.11Å
52	K	45.9	Very low	48.2	Very low	192 Å²	192	104.9 Å²	104.9	84%	0.835	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	91.6	178.2	-163.7	178	-175.1	-179.9	0	109.2
53	G	48.6	Very low	47.6	Very low	15 Å²	15	104.7 Å²	104.7	16%	0.155	51%	0.512	C	S	.	.			trans	-70.6	165.1	170.3	0	0	0	0	0	112.1	I51 K55 R56	I51-G53 PolarHBondContact O-N 3.31Å; G53-K55 PolarHBondContact O-N 3.28Å; G53-R56 WeakPolarHBondContact CA-O 3.44Å; G53-R56 PolarHBondContact N-O 2.91Å; G53-R56 VanDerWaalsContact N-O 3.12Å
54	P	51.2	Low	46.7	Very low	136 Å²	136	105.8 Å²	105.8	88%	0.883	52%	0.522	S	S	*	.	S	Bend	trans	-63.2	-12.4	-173.3	21.1	-30.6	0	0	0	114.8
55	K	58.3	Low	46.1	Very low	200 Å²	200	113.8 Å²	113.8	87%	0.87	56%	0.558	S	S	*	*	S	Bend	trans	-137.7	-19.6	176	-67.8	-173.7	179.2	176.8	0	115.9	G53	G53-K55 PolarHBondContact O-N 3.28Å
56	R	37.3	Very low	45.2	Very low	207 Å²	207	113.4 Å²	113.4	78%	0.781	56%	0.557	S	S	*	*	S	Bend	trans	-150.8	161.2	177.6	-69.9	-169.5	177	-167.9	-1.6	111.4	G53	G53-R56 WeakPolarHBondContact CA-O 3.44Å; G53-R56 PolarHBondContact N-O 2.91Å; G53-R56 VanDerWaalsContact N-O 3.12Å
57	M	35.5	Very low	44.5	Very low	133 Å²	133	110.9 Å²	110.9	66%	0.655	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.7	163.6	-82.6	-172.2	-75.3	0	0	108.8	P50	P50-M57 HydrophobicContact CB-CB 4.02Å; P50-M57 HydrophobicContact CB-CG 3.94Å; P50-M57 HydrophobicContact CB-SD 3.66Å; P50-M57 HydrophobicContact CG-CG 4.5Å; P50-M57 HydrophobicContact CG-SD 3.63Å
58	E	43.3	Very low	44.4	Very low	123 Å²	123	109.9 Å²	109.9	58%	0.575	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	142	177.2	-70.7	174	-170.2	0	0	109.3	I51	I51-E58 PolarHBondContact N-O 3.36Å; I51-E58 VanDerWaalsContact N-O 3.1Å; I51-E58 PolarHBondContact O-N 2.89Å; I51-E58 VanDerWaalsContact O-N 3.11Å
59	F	43.5	Very low	44.3	Very low	152 Å²	152	108.2 Å²	108.2	67%	0.667	53%	0.53	S	S	*	.			trans	-108.6	143.1	175.9	-66	-86.2	0	0	0	108.8	P50 P61	P50-F59 HydrophobicContact CB-CE1 4.03Å; P50-F59 HydrophobicContact CB-CZ 4.18Å; P50-F59 HydrophobicContact CG-CE1 4.47Å; F59-P61 WeakPolarHBondContact O-CD 3.31Å
60	N	47.4	Very low	44.1	Very low	70 Å²	70	103.3 Å²	103.3	37%	0.374	51%	0.508	S	S	.	.			trans	-65.4	119.1	178.9	-176.9	-6.3	0	0	0	110.8	Y62 L63	N60-Y62 PolarHBondContact OD1-N 3.08Å; N60-L63 WeakPolarHBondContact O-CD1 3.49Å
61	P	45.4	Very low	44	Very low	103 Å²	103	101.2 Å²	101.2	67%	0.669	50%	0.498	S	S	*	.			trans	-84.5	-14.5	-179.4	32.6	-32.3	0	0	0	114.2	F59 L63	F59-P61 WeakPolarHBondContact O-CD 3.31Å; P61-L63 PolarHBondContact O-N 3.25Å
62	Y	41.9	Very low	44	Very low	159 Å²	159	97.9 Å²	97.9	62%	0.624	48%	0.477	S	S	*	.			trans	-103.9	79.8	-171.8	-62.4	-72.8	0	0	0	112	N60	N60-Y62 PolarHBondContact OD1-N 3.08Å
63	L	37.3	Very low	44.5	Very low	57 Å²	57	90.3 Å²	90.3	30%	0.298	45%	0.45	S	S	.	.			trans	-113.2	124.1	-175.1	-70.3	176.7	0	0	0	107.8	V47 N60 P61 K70	V47-L63 HydrophobicContact CG1-CD2 3.9Å; N60-L63 WeakPolarHBondContact O-CD1 3.49Å; P61-L63 PolarHBondContact O-N 3.25Å; L63-K70 VanDerWaalsContact CA-CD 3.4Å; L63-K70 VanDerWaalsContact CA-CE 3.48Å; L63-K70 HydrophobicContact CB-CD 3.13Å; L63-K70 HydrophobicContact CB-CG 3.44Å; L63-K70 VanDerWaalsContact CB-CG 3.44Å; L63-K70 HydrophobicContact CD1-CG 4.2Å; L63-K70 VanDerWaalsContact CD2-NZ 3.31Å; L63-K70 HydrophobicContact CG-CD 4.4Å; L63-K70 HydrophobicContact CG-CG 4.34Å; L63-K70 WeakPolarHBondContact O-CD 3.29Å
64	P	33	Very low	44.9	Very low	69 Å²	69	95.6 Å²	95.6	45%	0.448	47%	0.469	S	S	.	.			trans	-62.4	150.1	172.4	17.2	-33	0	0	0	124.3	T66 K70	P64-T66 PolarHBondContact O-N 3.46Å; P64-K70 VanDerWaalsContact CA-CE 3.44Å; P64-K70 VanDerWaalsContact CD-CE 3.41Å; P64-K70 VanDerWaalsContact N-CD 3.32Å; P64-K70 WeakPolarHBondContact O-CD 3.35Å; P64-K70 WeakPolarHBondContact O-CE 3.11Å
65	K	38.3	Very low	45.3	Very low	214 Å²	214	90.8 Å²	90.8	93%	0.93	43%	0.434	S	S	*	.	S	Bend	trans	-78	-8.7	-160.5	-68.1	178.9	-179.2	174.8	0	120.5
66	T	32.9	Very low	45.7	Very low	32 Å²	32	84.4 Å²	84.4	20%	0.196	41%	0.407	C	S	.	.	S	Bend	trans	-96.1	155.1	176	56.2	0	0	0	0	110.1	P64 T68 F418 E557	P64-T66 PolarHBondContact O-N 3.46Å; T66-T68 PolarHBondContact O-N 2.96Å; T66-T68 PolarHBondContact O-OG1 3.07Å; T66-F418 HydrophobicContact CG2-CD1 4.05Å; T66-F418 HydrophobicContact CG2-CE1 4.27Å; T66-E557 WeakPolarHBondContact CB-OE1 3.38Å; T66-E557 HydrophobicContact CG2-CG 4.07Å; T66-E557 PolarHBondContact OG1-OE1 3.34Å
67	L	41	Very low	47.2	Very low	27 Å²	27	79.8 Å²	79.8	14%	0.141	40%	0.397	C	S	.	.	S	Bend	trans	-68.9	23.7	-160.2	-111.4	158.3	0	0	0	118	E399 I417	L67-E399 HydrophobicContact CD1-CG 4.5Å; L67-E399 WeakPolarHBondContact CD1-OE1 3.43Å; L67-I417 HydrophobicContact CD1-CB 4Å; L67-I417 HydrophobicContact CD1-CD1 3.66Å; L67-I417 HydrophobicContact CD1-CG1 4.01Å
68	T	49.2	Very low	48.7	Very low	52 Å²	52	76.8 Å²	76.8	32%	0.319	38%	0.382	S	S	.	.	S	Bend	trans	-42.9	149.4	137.5	69.9	0	0	0	0	110.1	T66 K70	T66-T68 PolarHBondContact O-N 2.96Å; T66-T68 PolarHBondContact O-OG1 3.07Å; T68-K70 WeakPolarHBondContact O-CA 3.37Å; T68-K70 VanDerWaalsContact O-CB 3.3Å; T68-K70 WeakPolarHBondContact O-CB 3.38Å; T68-K70 PolarHBondContact O-N 3.22Å
69	P	43.5	Very low	50.2	Low	16 Å²	16	71.5 Å²	71.5	10%	0.104	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	2	-0.4	-177.8	-13.9	-14.2	0	0	0	125.9	Y44 L48 A73	Y44-P69 VanDerWaalsContact CB-CG 3.46Å; Y44-P69 HydrophobicContact CD2-CB 3.51Å; Y44-P69 VanDerWaalsContact CD2-CD 3.43Å; Y44-P69 HydrophobicContact CD2-CG 3.62Å; Y44-P69 HydrophobicContact CE2-CB 4.25Å; Y44-P69 HydrophobicContact CG-CB 4.22Å; Y44-P69 HydrophobicContact CG-CG 3.8Å; L48-P69 HydrophobicContact CD2-CB 4.45Å; P69-A73 WeakPolarHBondContact O-CB 3.24Å; P69-A73 PolarHBondContact O-N 2.84Å
70	K	47.7	Very low	51.8	Low	26 Å²	26	69.2 Å²	69.2	11%	0.113	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-35.4	-146.7	-102.6	178.4	-86.5	-76.8	0	113.3	L63 P64 T68 A73 K74	L63-K70 VanDerWaalsContact CA-CD 3.4Å; L63-K70 VanDerWaalsContact CA-CE 3.48Å; L63-K70 HydrophobicContact CB-CD 3.13Å; L63-K70 HydrophobicContact CB-CG 3.44Å; L63-K70 VanDerWaalsContact CB-CG 3.44Å; L63-K70 HydrophobicContact CD1-CG 4.2Å; L63-K70 VanDerWaalsContact CD2-NZ 3.31Å; L63-K70 HydrophobicContact CG-CD 4.4Å; L63-K70 HydrophobicContact CG-CG 4.34Å; L63-K70 WeakPolarHBondContact O-CD 3.29Å; P64-K70 VanDerWaalsContact CA-CE 3.44Å; P64-K70 VanDerWaalsContact CD-CE 3.41Å; P64-K70 VanDerWaalsContact N-CD 3.32Å; P64-K70 WeakPolarHBondContact O-CD 3.35Å; P64-K70 WeakPolarHBondContact O-CE 3.11Å; T68-K70 WeakPolarHBondContact O-CA 3.37Å; T68-K70 VanDerWaalsContact O-CB 3.3Å; T68-K70 WeakPolarHBondContact O-CB 3.38Å; T68-K70 PolarHBondContact O-N 3.22Å; K70-A73 CarbonylContact O-C 3.56Å; K70-A73 PolarHBondContact O-N 3.37Å; K70-K74 WeakPolarHBondContact O-CA 3.35Å; K70-K74 WeakPolarHBondContact O-CB 3.36Å; K70-K74 PolarHBondContact O-N 3.31Å
71	G	48.7	Very low	53.4	Low	16 Å²	16	69.4 Å²	69.4	17%	0.165	36%	0.356	C	S	.	.	H	α-helix	trans	-64.9	-32.9	157.1	0	0	0	0	0	108.6	K74 F75	G71-K74 PolarHBondContact O-N 2.52Å; G71-F75 WeakPolarHBondContact O-CA 3.5Å; G71-F75 WeakPolarHBondContact O-CB 3.29Å; G71-F75 PolarHBondContact O-N 3.15Å
72	Y	54.3	Low	55.1	Low	56 Å²	56	65.2 Å²	65.2	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-46.5	163.8	-170.8	-103.4	0	0	0	112.3	L48 K74 F75 K76 E402	L48-Y72 HydrophobicContact CD1-CD1 4.45Å; Y72-K74 PolarHBondContact O-N 2.91Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 PolarHBondContact O-N 3.17Å; Y72-K76 HydrophobicContact CD1-CG 4.05Å; Y72-K76 HydrophobicContact CE1-CD 4.41Å; Y72-K76 HydrophobicContact CE1-CG 3.79Å; Y72-K76 VanDerWaalsContact CE2-CE 3.44Å; Y72-K76 HydrophobicContact CE2-CG 4.38Å; Y72-K76 HydrophobicContact CG-CG 4.47Å; Y72-K76 WeakPolarHBondContact O-CB 3.28Å; Y72-K76 VanDerWaalsContact O-CG 3.28Å; Y72-K76 WeakPolarHBondContact O-CG 3.45Å; Y72-K76 PolarHBondContact O-N 2.87Å; Y72-K76 WeakPolarHBondContact OH-CE 3.5Å; Y72-K76 PolarHBondContact OH-NZ 3.46Å; Y72-E402 PolarHBondContact OH-OE1 3.32Å
73	A	57.1	Low	57.2	Low	33 Å²	33	58.8 Å²	58.8	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-37.1	176.8	0	0	0	0	0	113.3	P69 K70 L77	P69-A73 WeakPolarHBondContact O-CB 3.24Å; P69-A73 PolarHBondContact O-N 2.84Å; K70-A73 CarbonylContact O-C 3.56Å; K70-A73 PolarHBondContact O-N 3.37Å; A73-L77 WeakPolarHBondContact O-CB 3.42Å; A73-L77 PolarHBondContact O-N 3.3Å
74	K	55.9	Low	59.6	Low	127 Å²	127	61.8 Å²	61.8	55%	0.552	32%	0.319	S	S	*	.	H	α-helix	trans	-70.1	-44.6	177.2	-177.7	-174.5	175.8	-169.6	0	109.8	K70 G71 Y72 L77 M78	K70-K74 WeakPolarHBondContact O-CA 3.35Å; K70-K74 WeakPolarHBondContact O-CB 3.36Å; K70-K74 PolarHBondContact O-N 3.31Å; G71-K74 PolarHBondContact O-N 2.52Å; Y72-K74 PolarHBondContact O-N 2.91Å; K74-L77 CarbonylContact O-C 3.53Å; K74-L77 PolarHBondContact O-N 3.01Å; K74-M78 HydrophobicContact CD-SD 4.48Å; K74-M78 HydrophobicContact CG-CG 4.37Å; K74-M78 HydrophobicContact CG-SD 4.02Å; K74-M78 VanDerWaalsContact O-CB 3.3Å; K74-M78 WeakPolarHBondContact O-CB 3.39Å; K74-M78 VanDerWaalsContact O-CG 3.22Å; K74-M78 WeakPolarHBondContact O-CG 3.11Å; K74-M78 PolarHBondContact O-N 3.02Å
75	F	59.5	Low	62.3	Low	34 Å²	34	64.6 Å²	64.6	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-55.5	-56.7	169.4	165.3	-113.1	0	0	0	109.2	G71 Y72 L77 M78 M79 W199	G71-F75 WeakPolarHBondContact O-CA 3.5Å; G71-F75 WeakPolarHBondContact O-CB 3.29Å; G71-F75 PolarHBondContact O-N 3.15Å; Y72-F75 HydrophobicContact CD2-CD1 4.34Å; Y72-F75 PolarHBondContact O-N 3.17Å; F75-L77 VanDerWaalsContact C-N 3.28Å; F75-L77 PolarHBondContact O-N 3.36Å; F75-M78 PolarHBondContact O-N 3.09Å; F75-M78 VanDerWaalsContact O-N 3.16Å; F75-M79 HydrophobicContact CD2-CG 3.63Å; F75-M79 HydrophobicContact CD2-SD 4.15Å; F75-M79 HydrophobicContact CE1-CG 4.28Å; F75-M79 HydrophobicContact CE2-CG 3.31Å; F75-M79 HydrophobicContact CE2-SD 3.62Å; F75-M79 HydrophobicContact CG-CG 4.23Å; F75-M79 HydrophobicContact CZ-CG 3.7Å; F75-M79 HydrophobicContact CZ-SD 4.33Å; F75-M79 VanDerWaalsContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CG 3.5Å; F75-M79 PolarHBondContact O-N 2.91Å; F75-W199 HydrophobicContact CD2-CB 3.78Å; F75-W199 AromaticContact CD2-CD1 3.63Å; F75-W199 AromaticContact CD2-CG 3.99Å; F75-W199 HydrophobicContact CD2-CG 3.99Å; F75-W199 HydrophobicContact CE2-CB 3.44Å; F75-W199 VanDerWaalsContact CE2-CB 3.44Å; F75-W199 AromaticContact CE2-CD1 3.32Å; F75-W199 AromaticContact CE2-CG 3.47Å; F75-W199 HydrophobicContact CE2-CG 3.47Å; F75-W199 VanDerWaalsContact CE2-CG 3.47Å; F75-W199 AromaticContact CZ-CD1 3.99Å; F75-W199 HydrophobicContact CZ-CG 4.32Å
76	K	66.7	Low	64.8	Low	67 Å²	67	56.7 Å²	56.7	29%	0.291	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-37.9	177.1	-70.2	-63.5	-176	-173.9	0	112.4	Y72 N80 E402	Y72-K76 HydrophobicContact CD1-CG 4.05Å; Y72-K76 HydrophobicContact CE1-CD 4.41Å; Y72-K76 HydrophobicContact CE1-CG 3.79Å; Y72-K76 VanDerWaalsContact CE2-CE 3.44Å; Y72-K76 HydrophobicContact CE2-CG 4.38Å; Y72-K76 HydrophobicContact CG-CG 4.47Å; Y72-K76 WeakPolarHBondContact O-CB 3.28Å; Y72-K76 VanDerWaalsContact O-CG 3.28Å; Y72-K76 WeakPolarHBondContact O-CG 3.45Å; Y72-K76 PolarHBondContact O-N 2.87Å; Y72-K76 WeakPolarHBondContact OH-CE 3.5Å; Y72-K76 PolarHBondContact OH-NZ 3.46Å; K76-N80 VanDerWaalsContact O-CB 3.28Å; K76-N80 WeakPolarHBondContact O-CB 3.23Å; K76-N80 PolarHBondContact O-N 3.26Å; K76-N80 PolarHBondContact O-ND2 3.34Å; K76-N80 VanDerWaalsContact O-ND2 3.11Å; K76-E402 IonicContact NZ-OE1 3.2Å; K76-E402 PolarHBondContact NZ-OE1 2.96Å
77	L	69.1	Low	67.6	Low	109 Å²	109	60 Å²	60	57%	0.571	30%	0.304	S	S	*	.	H	α-helix	trans	-66.5	-48.1	175.5	-179.5	65.8	0	0	0	111.6	A73 K74 F75 M79 N80 V81	A73-L77 WeakPolarHBondContact O-CB 3.42Å; A73-L77 PolarHBondContact O-N 3.3Å; K74-L77 CarbonylContact O-C 3.53Å; K74-L77 PolarHBondContact O-N 3.01Å; F75-L77 VanDerWaalsContact C-N 3.28Å; F75-L77 PolarHBondContact O-N 3.36Å; L77-M79 VanDerWaalsContact C-N 3.31Å; L77-M79 PolarHBondContact O-N 3.18Å; L77-N80 WeakPolarHBondContact O-CB 3.45Å; L77-N80 PolarHBondContact O-N 3.01Å; L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.2Å; L77-V81 PolarHBondContact O-N 3.48Å
78	M	68.3	Low	70.1	Confident	70 Å²	70	62.7 Å²	62.7	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.5	-73.7	179	68	0	0	110.5	K74 F75 N80 V81 A82	K74-M78 HydrophobicContact CD-SD 4.48Å; K74-M78 HydrophobicContact CG-CG 4.37Å; K74-M78 HydrophobicContact CG-SD 4.02Å; K74-M78 VanDerWaalsContact O-CB 3.3Å; K74-M78 WeakPolarHBondContact O-CB 3.39Å; K74-M78 VanDerWaalsContact O-CG 3.22Å; K74-M78 WeakPolarHBondContact O-CG 3.11Å; K74-M78 PolarHBondContact O-N 3.02Å; F75-M78 PolarHBondContact O-N 3.09Å; F75-M78 VanDerWaalsContact O-N 3.16Å; M78-N80 VanDerWaalsContact C-N 3.34Å; M78-N80 PolarHBondContact O-N 3.15Å; M78-V81 PolarHBondContact O-N 3.17Å; M78-A82 VanDerWaalsContact O-CB 3.29Å; M78-A82 WeakPolarHBondContact O-CB 3.37Å; M78-A82 PolarHBondContact O-N 3.5Å
79	M	73.7	Confident	72.3	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.059	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-39.9	173.7	-71.2	-43.8	-53.1	0	0	112.2	F75 L77 S83 R192 W199	F75-M79 HydrophobicContact CD2-CG 3.63Å; F75-M79 HydrophobicContact CD2-SD 4.15Å; F75-M79 HydrophobicContact CE1-CG 4.28Å; F75-M79 HydrophobicContact CE2-CG 3.31Å; F75-M79 HydrophobicContact CE2-SD 3.62Å; F75-M79 HydrophobicContact CG-CG 4.23Å; F75-M79 HydrophobicContact CZ-CG 3.7Å; F75-M79 HydrophobicContact CZ-SD 4.33Å; F75-M79 VanDerWaalsContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CB 3.28Å; F75-M79 WeakPolarHBondContact O-CG 3.5Å; F75-M79 PolarHBondContact O-N 2.91Å; L77-M79 VanDerWaalsContact C-N 3.31Å; L77-M79 PolarHBondContact O-N 3.18Å; M79-S83 WeakPolarHBondContact O-CB 3.41Å; M79-S83 PolarHBondContact O-N 3.46Å; M79-S83 PolarHBondContact O-OG 3.04Å; M79-R192 HydrophobicContact CE-CG 4.24Å; M79-R192 VanDerWaalsContact CE-NH2 3.3Å; M79-W199 HydrophobicContact SD-CB 4.44Å
80	N	77.8	Confident	74.7	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-68.1	-40.9	175.3	-74	-24.9	0	0	0	111.5	K76 L77 M78 K84	K76-N80 VanDerWaalsContact O-CB 3.28Å; K76-N80 WeakPolarHBondContact O-CB 3.23Å; K76-N80 PolarHBondContact O-N 3.26Å; K76-N80 PolarHBondContact O-ND2 3.34Å; K76-N80 VanDerWaalsContact O-ND2 3.11Å; L77-N80 WeakPolarHBondContact O-CB 3.45Å; L77-N80 PolarHBondContact O-N 3.01Å; M78-N80 VanDerWaalsContact C-N 3.34Å; M78-N80 PolarHBondContact O-N 3.15Å; N80-K84 WeakPolarHBondContact O-CB 3.46Å; N80-K84 PolarHBondContact O-N 3.34Å
81	V	79.6	Confident	76.9	Confident	73 Å²	73	67.3 Å²	67.3	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-47.3	176.1	170.8	0	0	0	0	110.5	L77 M78 K84 Q85	L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.2Å; L77-V81 PolarHBondContact O-N 3.48Å; M78-V81 PolarHBondContact O-N 3.17Å; V81-K84 WeakPolarHBondContact O-CB 3.28Å; V81-K84 PolarHBondContact O-N 2.69Å; V81-K84 VanDerWaalsContact O-N 3.17Å; V81-Q85 WeakPolarHBondContact O-CG 3.5Å; V81-Q85 PolarHBondContact O-N 2.83Å
82	A	82.1	Confident	79.1	Confident	15 Å²	15	72.7 Å²	72.7	12%	0.124	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-46.6	177.1	0	0	0	0	0	111.2	M78 K84 Q85 Y86 E201	M78-A82 VanDerWaalsContact O-CB 3.29Å; M78-A82 WeakPolarHBondContact O-CB 3.37Å; M78-A82 PolarHBondContact O-N 3.5Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 2.64Å; A82-Q85 WeakPolarHBondContact O-CB 3.19Å; A82-Q85 PolarHBondContact O-N 3.05Å; A82-Q85 VanDerWaalsContact O-N 3.1Å; A82-Y86 PolarHBondContact O-N 2.92Å; A82-E201 VanDerWaalsContact C-OE1 3.24Å; A82-E201 HydrophobicContact CB-CB 3.81Å; A82-E201 HydrophobicContact CB-CG 4.35Å; A82-E201 VanDerWaalsContact CB-OE1 3.29Å; A82-E201 WeakPolarHBondContact CB-OE1 3.18Å
83	S	85.4	Confident	81.2	Confident	25 Å²	25	70.3 Å²	70.3	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-40.1	173.9	-61.4	0	0	0	0	111.9	M79 Y86 E87	M79-S83 WeakPolarHBondContact O-CB 3.41Å; M79-S83 PolarHBondContact O-N 3.46Å; M79-S83 PolarHBondContact O-OG 3.04Å; S83-Y86 PolarHBondContact O-N 3.31Å; S83-E87 WeakPolarHBondContact O-CB 2.95Å; S83-E87 VanDerWaalsContact O-CG 3.32Å; S83-E87 WeakPolarHBondContact O-CG 3.41Å; S83-E87 PolarHBondContact O-N 3.06Å
84	K	88.1	Confident	82.9	Confident	120 Å²	120	72.4 Å²	72.4	52%	0.522	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-39.4	176.7	-166	73.2	-144.9	156.9	0	112.5	N80 V81 A82 E87 T88	N80-K84 WeakPolarHBondContact O-CB 3.46Å; N80-K84 PolarHBondContact O-N 3.34Å; V81-K84 WeakPolarHBondContact O-CB 3.28Å; V81-K84 PolarHBondContact O-N 2.69Å; V81-K84 VanDerWaalsContact O-N 3.17Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 2.64Å; K84-E87 IonicContact NZ-OE2 3.27Å; K84-E87 PolarHBondContact NZ-OE2 2.79Å; K84-T88 WeakPolarHBondContact O-CB 3.35Å; K84-T88 PolarHBondContact O-N 3.45Å; K84-T88 PolarHBondContact O-OG1 3.48Å
85	Q	88.7	Confident	84.8	Confident	127 Å²	127	71.5 Å²	71.5	59%	0.593	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-45.8	175.2	-72.7	173.9	-12.2	0	0	110.5	V81 A82 T88 L89	V81-Q85 WeakPolarHBondContact O-CG 3.5Å; V81-Q85 PolarHBondContact O-N 2.83Å; A82-Q85 WeakPolarHBondContact O-CB 3.19Å; A82-Q85 PolarHBondContact O-N 3.05Å; A82-Q85 VanDerWaalsContact O-N 3.1Å; Q85-T88 PolarHBondContact O-N 3.14Å; Q85-L89 WeakPolarHBondContact O-CB 3.29Å; Q85-L89 PolarHBondContact O-N 3.33Å
86	Y	91.1	Very high	86.5	Confident	48 Å²	48	75 Å²	75	19%	0.188	37%	0.369	C	S	.	.	H	α-helix	trans	-57.6	-51.3	173.5	172.3	-101	0	0	0	111.9	A82 S83 T88 L89 V90 V188 L203	A82-Y86 PolarHBondContact O-N 2.92Å; S83-Y86 PolarHBondContact O-N 3.31Å; Y86-T88 VanDerWaalsContact C-N 3.28Å; Y86-T88 PolarHBondContact O-N 3.46Å; Y86-L89 WeakPolarHBondContact O-CB 3.38Å; Y86-L89 PolarHBondContact O-N 3.09Å; Y86-V90 HydrophobicContact CD1-CG2 4.27Å; Y86-V90 HydrophobicContact CD2-CG2 4.07Å; Y86-V90 HydrophobicContact CE1-CG2 3.85Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.46Å; Y86-V90 PolarHBondContact O-N 3.45Å; Y86-V188 HydrophobicContact CD2-CG1 4.19Å; Y86-V188 HydrophobicContact CE2-CB 4.34Å; Y86-V188 HydrophobicContact CE2-CG1 3.89Å; Y86-L203 HydrophobicContact CD2-CD1 4.47Å; Y86-L203 HydrophobicContact CD2-CD2 3.88Å
87	E	91.8	Very high	87.8	Confident	101 Å²	101	83 Å²	83	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-57.3	-41.2	177.1	-76.6	174.3	-172.7	0	0	112.6	S83 K84 K91	S83-E87 WeakPolarHBondContact O-CB 2.95Å; S83-E87 VanDerWaalsContact O-CG 3.32Å; S83-E87 WeakPolarHBondContact O-CG 3.41Å; S83-E87 PolarHBondContact O-N 3.06Å; K84-E87 IonicContact NZ-OE2 3.27Å; K84-E87 PolarHBondContact NZ-OE2 2.79Å; E87-K91 VanDerWaalsContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CB 3.16Å; E87-K91 PolarHBondContact O-N 3.08Å
88	T	94.5	Very high	89	Confident	84 Å²	84	80.7 Å²	80.7	52%	0.515	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-43.5	179.5	-58.1	0	0	0	0	110.8	K84 Q85 Y86 K91 R92	K84-T88 WeakPolarHBondContact O-CB 3.35Å; K84-T88 PolarHBondContact O-N 3.45Å; K84-T88 PolarHBondContact O-OG1 3.48Å; Q85-T88 PolarHBondContact O-N 3.14Å; Y86-T88 VanDerWaalsContact C-N 3.28Å; Y86-T88 PolarHBondContact O-N 3.46Å; T88-K91 PolarHBondContact O-N 2.88Å; T88-R92 PolarHBondContact O-N 3.22Å
89	L	94.3	Very high	90.4	Very high	21 Å²	21	80.5 Å²	80.5	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-51.6	174.5	175.2	60.9	0	0	0	111.1	Q85 Y86 K91 R92 L93 W100 V188 L203	Q85-L89 WeakPolarHBondContact O-CB 3.29Å; Q85-L89 PolarHBondContact O-N 3.33Å; Y86-L89 WeakPolarHBondContact O-CB 3.38Å; Y86-L89 PolarHBondContact O-N 3.09Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.41Å; L89-R92 WeakPolarHBondContact O-CB 3.4Å; L89-R92 PolarHBondContact O-N 3.03Å; L89-L93 HydrophobicContact CD1-CD1 3.8Å; L89-L93 HydrophobicContact CD1-CG 4.11Å; L89-L93 HydrophobicContact CG-CD1 3.81Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-W100 HydrophobicContact CD2-CD2 4.25Å; L89-W100 HydrophobicContact CD2-CZ2 4.24Å; L89-V188 HydrophobicContact CD2-CG1 4.3Å; L89-V188 HydrophobicContact CD2-CG2 4.22Å; L89-L203 HydrophobicContact CD2-CD1 3.98Å
90	V	93.5	Very high	91.5	Very high	15 Å²	15	81.1 Å²	81.1	9%	0.091	39%	0.39	C	S	.	.	H	α-helix	trans	-58.2	-44.8	178.9	171	0	0	0	0	111	Y86 R92 L93 K94 V186	Y86-V90 HydrophobicContact CD1-CG2 4.27Å; Y86-V90 HydrophobicContact CD2-CG2 4.07Å; Y86-V90 HydrophobicContact CE1-CG2 3.85Å; Y86-V90 HydrophobicContact CE2-CG2 3.64Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.46Å; Y86-V90 PolarHBondContact O-N 3.45Å; V90-R92 PolarHBondContact O-N 3.23Å; V90-L93 PolarHBondContact O-N 2.9Å; V90-K94 HydrophobicContact CG1-CD 4.01Å; V90-K94 HydrophobicContact CG1-CG 4.45Å; V90-K94 WeakPolarHBondContact O-CG 3.38Å; V90-K94 PolarHBondContact O-N 3.48Å; V90-V186 HydrophobicContact CB-CG2 4.44Å; V90-V186 HydrophobicContact CG1-CG2 4.2Å; V90-V186 HydrophobicContact CG2-CG2 4.04Å
91	K	94.6	Very high	92.4	Very high	155 Å²	155	82 Å²	82	67%	0.674	39%	0.391	S	S	*	.	H	α-helix	trans	-61.8	-42.3	178.1	-175.6	179.2	179.5	-178.7	0	112.2	E87 T88 L89 T95	E87-K91 VanDerWaalsContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CB 3.16Å; E87-K91 PolarHBondContact O-N 3.08Å; T88-K91 PolarHBondContact O-N 2.88Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.41Å; K91-T95 PolarHBondContact O-N 3.42Å; K91-T95 VanDerWaalsContact O-N 3.12Å; K91-T95 PolarHBondContact O-OG1 3.42Å
92	R	96.1	Very high	93.2	Very high	129 Å²	129	78.7 Å²	78.7	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-51.7	176	-177.8	-176.1	68.6	-173.6	1.4	110.7	T88 L89 V90 K94 T95 E96	T88-R92 PolarHBondContact O-N 3.22Å; L89-R92 WeakPolarHBondContact O-CB 3.4Å; L89-R92 PolarHBondContact O-N 3.03Å; V90-R92 PolarHBondContact O-N 3.23Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.41Å; R92-T95 WeakPolarHBondContact O-CB 3.14Å; R92-T95 PolarHBondContact O-N 3.48Å; R92-E96 WeakPolarHBondContact CD-OE1 3.4Å; R92-E96 HydrophobicContact CG-CG 4.46Å; R92-E96 WeakPolarHBondContact CG-OE1 3.38Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.9Å
93	L	96.4	Very high	93.8	Very high	6 Å²	6	82.5 Å²	82.5	3%	0.031	39%	0.394	C	S	.	.	H	α-helix	trans	-60.5	-41	-179	-68	165.5	0	0	0	112.7	L89 V90 T95 E96 R97 T98 W100 V186 V188	L89-L93 HydrophobicContact CD1-CD1 3.8Å; L89-L93 HydrophobicContact CD1-CG 4.11Å; L89-L93 HydrophobicContact CG-CD1 3.81Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.06Å; V90-L93 PolarHBondContact O-N 2.9Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 2.97Å; L93-E96 CarbonylContact O-C 3.53Å; L93-E96 PolarHBondContact O-N 3.29Å; L93-R97 WeakPolarHBondContact O-CA 3.43Å; L93-R97 PolarHBondContact O-N 2.91Å; L93-T98 PolarHBondContact O-N 3.23Å; L93-W100 HydrophobicContact CD1-CB 3.66Å; L93-W100 HydrophobicContact CD1-CG 4.01Å; L93-W100 HydrophobicContact CD2-CB 4.21Å; L93-V186 HydrophobicContact CB-CB 3.93Å; L93-V186 HydrophobicContact CB-CG1 3.87Å; L93-V186 HydrophobicContact CD1-CB 4.07Å; L93-V186 HydrophobicContact CD1-CG2 4.1Å; L93-V188 HydrophobicContact CD1-CG2 3.58Å
94	K	94	Very high	94.2	Very high	77 Å²	77	87.4 Å²	87.4	34%	0.335	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-39.7	173.7	-74	178.6	-179.8	173.9	0	112.6	V90 R92 R97 E184 V186	V90-K94 HydrophobicContact CG1-CD 4.01Å; V90-K94 HydrophobicContact CG1-CG 4.45Å; V90-K94 WeakPolarHBondContact O-CG 3.38Å; V90-K94 PolarHBondContact O-N 3.48Å; R92-K94 VanDerWaalsContact C-N 3.35Å; R92-K94 PolarHBondContact O-N 3.41Å; K94-R97 PolarHBondContact O-N 3.19Å; K94-E184 WeakPolarHBondContact CE-O 3.42Å; K94-E184 WeakPolarHBondContact CE-OE2 3.17Å; K94-E184 IonicContact NZ-OE2 2.79Å; K94-E184 PolarHBondContact NZ-OE2 3.31Å; K94-V186 HydrophobicContact CG-CG1 3.6Å
95	T	95.2	Very high	94.6	Very high	109 Å²	109	82 Å²	82	67%	0.669	40%	0.395	S	S	*	.	H	α-helix	trans	-67.5	-42.1	178.4	-54.9	0	0	0	0	110.9	K91 R92 L93 R97	K91-T95 PolarHBondContact O-N 3.42Å; K91-T95 VanDerWaalsContact O-N 3.12Å; K91-T95 PolarHBondContact O-OG1 3.42Å; R92-T95 WeakPolarHBondContact O-CB 3.14Å; R92-T95 PolarHBondContact O-N 3.48Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 2.97Å; T95-R97 VanDerWaalsContact C-N 3.3Å
96	E	95.1	Very high	94.9	Very high	107 Å²	107	78.1 Å²	78.1	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-77.1	-16.1	178.9	-69	170.7	-173.4	0	0	113.1	R92 L93 T98	R92-E96 WeakPolarHBondContact CD-OE1 3.4Å; R92-E96 HydrophobicContact CG-CG 4.46Å; R92-E96 WeakPolarHBondContact CG-OE1 3.38Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 2.9Å; L93-E96 CarbonylContact O-C 3.53Å; L93-E96 PolarHBondContact O-N 3.29Å; E96-T98 HydrophobicContact CB-CG2 4.14Å; E96-T98 WeakPolarHBondContact CB-OG1 3.42Å; E96-T98 PolarHBondContact O-N 2.86Å
97	R	93.5	Very high	95.2	Very high	234 Å²	234	76.8 Å²	76.8	88%	0.883	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	39.5	-173.1	-56.8	-179.1	178.7	-176.5	-1.2	112.5	L93 K94 T95	L93-R97 WeakPolarHBondContact O-CA 3.43Å; L93-R97 PolarHBondContact O-N 2.91Å; K94-R97 PolarHBondContact O-N 3.19Å; T95-R97 VanDerWaalsContact C-N 3.3Å
98	T	95.8	Very high	95.3	Very high	61 Å²	61	75 Å²	75	37%	0.374	37%	0.373	S	S	.	.			trans	-113.7	146.4	-179.7	50.7	0	0	0	0	110.2	L93 E96	L93-T98 PolarHBondContact O-N 3.23Å; E96-T98 HydrophobicContact CB-CG2 4.14Å; E96-T98 WeakPolarHBondContact CB-OG1 3.42Å; E96-T98 PolarHBondContact O-N 2.86Å
99	L	96.7	Very high	95.2	Very high	67 Å²	67	76.9 Å²	76.9	35%	0.351	38%	0.38	S	S	.	.			trans	-85.5	140.5	168.3	-61.1	179.5	0	0	0	108.8	R126 Y185	L99-R126 VanDerWaalsContact CB-NH2 3.33Å; L99-Y185 HydrophobicContact CD1-CE1 3.96Å; L99-Y185 HydrophobicContact CD2-CD1 3.72Å; L99-Y185 HydrophobicContact CD2-CE1 3.36Å; L99-Y185 HydrophobicContact CG-CE1 4.32Å
100	W	97.3	Very high	95.1	Very high	25 Å²	25	84 Å²	84	10%	0.095	41%	0.41	C	S	.	.			trans	-68.1	145	-179.8	-163.4	49.9	0	0	0	111.4	L89 L93 D102 R126 V186 V188 L203 D205	L89-W100 HydrophobicContact CD2-CD2 4.25Å; L89-W100 HydrophobicContact CD2-CZ2 4.24Å; L93-W100 HydrophobicContact CD1-CB 3.66Å; L93-W100 HydrophobicContact CD1-CG 4.01Å; L93-W100 HydrophobicContact CD2-CB 4.21Å; W100-D102 HydrophobicContact CE3-CB 4.38Å; W100-D102 HydrophobicContact CH2-CB 3.9Å; W100-D102 HydrophobicContact CZ2-CB 4.43Å; W100-D102 HydrophobicContact CZ3-CB 3.88Å; W100-R126 PolarHBondContact O-NH2 3.42Å; W100-V186 PolarHBondContact N-O 2.84Å; W100-V188 HydrophobicContact CB-CG2 3.28Å; W100-V188 HydrophobicContact CD2-CG2 3.77Å; W100-V188 HydrophobicContact CE3-CB 4.19Å; W100-V188 HydrophobicContact CE3-CG1 3.89Å; W100-V188 HydrophobicContact CE3-CG2 3.74Å; W100-V188 HydrophobicContact CG-CG2 3.61Å; W100-V188 HydrophobicContact CZ3-CG1 4.18Å; W100-L203 HydrophobicContact CH2-CB 3.9Å; W100-L203 HydrophobicContact CZ3-CB 3.96Å; W100-D205 HydrophobicContact CE3-CB 4.23Å
101	E	97.3	Very high	95.1	Very high	123 Å²	123	83.3 Å²	83.3	58%	0.575	41%	0.406	S	S	*	.			trans	-124.3	123.8	168.6	-57.4	-161.1	142.5	0	0	106.4	P103 R207	E101-P103 VanDerWaalsContact O-CD 3.25Å; E101-P103 WeakPolarHBondContact O-CD 3.34Å; E101-R207 VanDerWaalsContact CA-NH2 3.34Å; E101-R207 VanDerWaalsContact CB-NH2 3.29Å; E101-R207 VanDerWaalsContact CD-NH1 3.32Å; E101-R207 IonicContact OE1-CZ 3.42Å; E101-R207 IonicContact OE1-NH1 3.88Å; E101-R207 PolarHBondContact OE1-NH1 2.86Å
102	D	96.7	Very high	95.1	Very high	3 Å²	3	76.4 Å²	76.4	2%	0.016	38%	0.377	C	S	.	.			trans	-70.9	114.2	-175.2	-170.5	-20.8	0	0	0	110	W100 D104 F105 P106 I204 D205 K239	W100-D102 HydrophobicContact CE3-CB 4.38Å; W100-D102 HydrophobicContact CH2-CB 3.9Å; W100-D102 HydrophobicContact CZ2-CB 4.43Å; W100-D102 HydrophobicContact CZ3-CB 3.88Å; D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.33Å; D102-D104 PolarHBondContact OD1-N 2.88Å; D102-F105 CarbonylContact O-C 3.58Å; D102-F105 PolarHBondContact OD1-N 3.1Å; D102-P106 WeakPolarHBondContact O-CA 3.32Å; D102-I204 WeakPolarHBondContact OD2-CA 3.45Å; D102-D205 HydrophobicContact CB-CB 4.26Å; D102-D205 WeakPolarHBondContact CB-OD2 3.45Å; D102-D205 PolarHBondContact N-OD2 3.42Å; D102-D205 VanDerWaalsContact N-OD2 3.14Å; D102-K239 IonicContact OD1-NZ 4Å; D102-K239 PolarHBondContact OD1-NZ 2.82Å; D102-K239 WeakPolarHBondContact OD2-CD 3.18Å; D102-K239 WeakPolarHBondContact OD2-CE 3.41Å; D102-K239 IonicContact OD2-NZ 2.58Å; D102-K239 PolarHBondContact OD2-NZ 3.15Å
103	P	94.6	Very high	94.8	Very high	95 Å²	95	71.7 Å²	71.7	62%	0.617	37%	0.368	S	S	*	.	S	Bend	trans	-71	-25.4	-178.9	30.6	-34.6	0	0	0	112.3	E101	E101-P103 VanDerWaalsContact O-CD 3.25Å; E101-P103 WeakPolarHBondContact O-CD 3.34Å
104	D	92.6	Very high	94.3	Very high	128 Å²	128	77.7 Å²	77.7	68%	0.684	40%	0.401	S	S	*	.	S	Bend	trans	-91.3	-21.2	-175.5	-56	-44.3	0	0	0	111.9	D102 K239	D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.33Å; D102-D104 PolarHBondContact OD1-N 2.88Å; D104-K239 IonicContact OD2-NZ 3.82Å
105	F	95.9	Very high	93.9	Very high	6 Å²	6	75.5 Å²	75.5	3%	0.026	39%	0.392	C	S	.	.	S	Bend	trans	-139.1	66.6	179.6	-158	-103.1	0	0	0	111.6	D102 A111 K235 A238 K239 G242 Y244	D102-F105 CarbonylContact O-C 3.58Å; D102-F105 PolarHBondContact OD1-N 3.1Å; F105-A111 HydrophobicContact CD1-CB 3.9Å; F105-A111 HydrophobicContact CD2-CB 4.43Å; F105-A111 HydrophobicContact CE1-CB 3.5Å; F105-A111 VanDerWaalsContact CE1-CB 3.5Å; F105-A111 HydrophobicContact CE2-CB 4.07Å; F105-A111 HydrophobicContact CG-CB 4.37Å; F105-A111 HydrophobicContact CZ-CB 3.59Å; F105-A111 WeakPolarHBondContact CZ-O 3.25Å; F105-K235 HydrophobicContact CD1-CG 4.45Å; F105-K235 HydrophobicContact CE1-CG 4.11Å; F105-A238 HydrophobicContact CZ-CB 3.99Å; F105-K239 HydrophobicContact CB-CB 4.1Å; F105-K239 HydrophobicContact CB-CD 3.69Å; F105-K239 HydrophobicContact CB-CG 3.81Å; F105-K239 HydrophobicContact CD1-CB 4.1Å; F105-K239 HydrophobicContact CD2-CB 3.72Å; F105-K239 HydrophobicContact CD2-CG 3.99Å; F105-K239 HydrophobicContact CE1-CB 4.43Å; F105-K239 VanDerWaalsContact CE2-CA 3.49Å; F105-K239 HydrophobicContact CE2-CB 4.09Å; F105-K239 HydrophobicContact CG-CB 3.72Å; F105-K239 HydrophobicContact CG-CD 4.28Å; F105-K239 HydrophobicContact CG-CG 3.96Å; F105-K239 HydrophobicContact CZ-CB 4.43Å; F105-G242 WeakPolarHBondContact CE2-O 3.45Å; F105-Y244 HydrophobicContact CE1-CE2 4.32Å; F105-Y244 HydrophobicContact CZ-CD2 4.39Å
106	P	96	Very high	93	Very high	46 Å²	46	75 Å²	75	30%	0.299	39%	0.391	S	S	.	.			trans	-66	142.7	-173	28.3	-36.4	0	0	0	111.6	D102 N108 A111	D102-P106 WeakPolarHBondContact O-CA 3.32Å; P106-N108 WeakPolarHBondContact CG-ND2 3.26Å; P106-N108 PolarHBondContact O-N 3.4Å; P106-A111 VanDerWaalsContact O-CB 3.29Å; P106-A111 WeakPolarHBondContact O-CB 3.38Å
107	A	96.7	Very high	92.1	Very high	21 Å²	21	77.1 Å²	77.1	17%	0.174	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	69.6	178.5	0	0	0	0	0	112.5	W124 R207	A107-W124 HydrophobicContact CB-CB 3.85Å; A107-W124 HydrophobicContact CB-CD2 3.59Å; A107-W124 HydrophobicContact CB-CE3 3.68Å; A107-W124 HydrophobicContact CB-CG 3.69Å; A107-W124 HydrophobicContact CB-CZ3 4.38Å; A107-W124 VanDerWaalsContact O-CD1 3.25Å; A107-R207 HydrophobicContact CB-CB 4.15Å
108	N	94.6	Very high	91.5	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.332	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.7	-177	179.4	66	40.4	0	0	0	111.1	P106 K110 A111	P106-N108 WeakPolarHBondContact CG-ND2 3.26Å; P106-N108 PolarHBondContact O-N 3.4Å; N108-K110 PolarHBondContact O-N 3.25Å; N108-K110 VanDerWaalsContact O-N 3.07Å; N108-K110 VanDerWaalsContact OD1-CB 3.27Å; N108-K110 WeakPolarHBondContact OD1-CB 3.15Å; N108-K110 PolarHBondContact OD1-N 2.98Å; N108-A111 WeakPolarHBondContact O-CB 3.43Å; N108-A111 PolarHBondContact O-N 2.89Å
109	D	91.9	Very high	90.7	Very high	124 Å²	124	75.7 Å²	75.7	66%	0.663	39%	0.394	S	S	*	.	H	α-helix	trans	-58.5	-24.1	-175.1	-59.6	-20.9	0	0	0	114.2	A111 I112 G113	D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 3.27Å; D109-I112 PolarHBondContact O-N 2.91Å; D109-G113 PolarHBondContact O-N 3.23Å
110	K	91.9	Very high	90	Very high	170 Å²	170	76.1 Å²	76.1	74%	0.739	40%	0.395	S	S	*	.	H	α-helix	trans	-66.3	-36.2	176.6	-63	-175.6	177.6	-178.1	0	112.3	N108 I112 G113	N108-K110 PolarHBondContact O-N 3.25Å; N108-K110 VanDerWaalsContact O-N 3.07Å; N108-K110 VanDerWaalsContact OD1-CB 3.27Å; N108-K110 WeakPolarHBondContact OD1-CB 3.15Å; N108-K110 PolarHBondContact OD1-N 2.98Å; K110-I112 VanDerWaalsContact C-N 3.27Å; K110-I112 PolarHBondContact O-N 3.47Å; K110-G113 PolarHBondContact O-N 3.4Å
111	A	94.3	Very high	89.7	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.008	42%	0.422	C	S	.	.	H	α-helix	trans	-68.4	-29.1	176.5	0	0	0	0	0	111.9	F105 P106 N108 D109 W124 C243 Y244	F105-A111 HydrophobicContact CD1-CB 3.9Å; F105-A111 HydrophobicContact CD2-CB 4.43Å; F105-A111 HydrophobicContact CE1-CB 3.5Å; F105-A111 VanDerWaalsContact CE1-CB 3.5Å; F105-A111 HydrophobicContact CE2-CB 4.07Å; F105-A111 HydrophobicContact CG-CB 4.37Å; F105-A111 HydrophobicContact CZ-CB 3.59Å; F105-A111 WeakPolarHBondContact CZ-O 3.25Å; P106-A111 VanDerWaalsContact O-CB 3.29Å; P106-A111 WeakPolarHBondContact O-CB 3.38Å; N108-A111 WeakPolarHBondContact O-CB 3.43Å; N108-A111 PolarHBondContact O-N 2.89Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 3.27Å; A111-W124 HydrophobicContact CB-CH2 3.81Å; A111-W124 HydrophobicContact CB-CZ2 3.85Å; A111-C243 CarbonylContact O-C 3.53Å; A111-C243 WeakPolarHBondContact O-CA 3.44Å; A111-C243 VanDerWaalsContact O-CB 3.31Å; A111-C243 WeakPolarHBondContact O-CB 2.66Å; A111-Y244 WeakPolarHBondContact O-CD2 3.42Å; A111-Y244 PolarHBondContact O-N 3.01Å
112	I	94.3	Very high	89.5	Confident	10 Å²	10	79.1 Å²	79.1	5%	0.051	40%	0.403	C	S	.	.	H	α-helix	trans	-72.9	-47.5	173.9	-55.3	-59.6	0	0	0	110.5	D109 K110 L115 I122 W124 P209 F219 Y244 A245	D109-I112 PolarHBondContact O-N 2.91Å; K110-I112 VanDerWaalsContact C-N 3.27Å; K110-I112 PolarHBondContact O-N 3.47Å; I112-L115 HydrophobicContact CG2-CD1 3.78Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; I112-I122 HydrophobicContact CD1-CD1 3.66Å; I112-I122 HydrophobicContact CG1-CD1 3.78Å; I112-I122 HydrophobicContact CG2-CD1 4.16Å; I112-W124 HydrophobicContact CD1-CH2 4.06Å; I112-W124 HydrophobicContact CD1-CZ2 3.54Å; I112-W124 HydrophobicContact CG1-CZ2 3.92Å; I112-P209 HydrophobicContact CD1-CB 4.03Å; I112-P209 HydrophobicContact CD1-CG 4.42Å; I112-F219 HydrophobicContact CD1-CE2 3.76Å; I112-F219 HydrophobicContact CD1-CZ 4.11Å; I112-F219 HydrophobicContact CG2-CZ 4.4Å; I112-Y244 HydrophobicContact CD1-CD2 4.11Å; I112-A245 WeakPolarHBondContact O-CB 3.41Å; I112-A245 PolarHBondContact O-N 3.38Å
113	G	89.6	Confident	89.5	Confident	30 Å²	30	81.9 Å²	81.9	31%	0.309	42%	0.415	S	S	.	.			trans	79.6	-167.1	-173.7	0	0	0	0	0	112.7	D109 K110 L115	D109-G113 PolarHBondContact O-N 3.23Å; K110-G113 PolarHBondContact O-N 3.4Å; G113-L115 PolarHBondContact O-N 3.05Å
114	N	86.9	Confident	89.6	Confident	133 Å²	133	79.4 Å²	79.4	71%	0.711	39%	0.394	S	S	*	.			trans	-88	107.4	-178.3	-175.7	24.7	0	0	0	111.2	A245	N114-A245 WeakPolarHBondContact O-CB 3.35Å
115	L	84.1	Confident	89.9	Confident	30 Å²	30	75 Å²	75	16%	0.157	37%	0.368	C	S	.	.			trans	-113.7	94.2	172.8	-70.8	172.7	0	0	0	109.3	I112 G113 D117 F118 L151 F219 A245	I112-L115 HydrophobicContact CG2-CD1 3.78Å; I112-L115 HydrophobicContact CG2-CG 4.46Å; G113-L115 PolarHBondContact O-N 3.05Å; L115-D117 VanDerWaalsContact C-N 3.3Å; L115-D117 PolarHBondContact O-N 2.99Å; L115-F118 HydrophobicContact CB-CB 3.52Å; L115-F118 HydrophobicContact CB-CG 4.45Å; L115-F118 HydrophobicContact CD1-CB 4.18Å; L115-F118 HydrophobicContact CD1-CG 4.32Å; L115-F118 HydrophobicContact CG-CB 4.5Å; L115-F118 PolarHBondContact O-N 3.16Å; L115-L151 HydrophobicContact CD1-CD2 3.93Å; L115-L151 HydrophobicContact CD2-CD2 3.68Å; L115-L151 HydrophobicContact CG-CD2 4.45Å; L115-F219 HydrophobicContact CD1-CE1 4.06Å; L115-F219 HydrophobicContact CD1-CZ 4.01Å; L115-A245 HydrophobicContact CD2-CB 3.84Å; L115-A245 HydrophobicContact CG-CB 3.97Å
116	P	77.3	Confident	90	Very high	100 Å²	100	75.5 Å²	75.5	65%	0.649	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.1	-169.7	-26.4	34.3	0	0	0	114.8
117	D	76.9	Confident	90	Very high	150 Å²	150	73.3 Å²	73.3	80%	0.802	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.3	-177.8	-63.8	-43.8	0	0	0	113.3	L115 R119	L115-D117 VanDerWaalsContact C-N 3.3Å; L115-D117 PolarHBondContact O-N 2.99Å; D117-R119 PolarHBondContact O-N 3.47Å
118	F	79.5	Confident	90	Very high	38 Å²	38	75.4 Å²	75.4	17%	0.167	36%	0.362	C	S	.	.			trans	-91.4	99	-178.6	-168.7	-92.9	0	0	0	110.9	L115 E120 I122 A150 V218	L115-F118 HydrophobicContact CB-CB 3.52Å; L115-F118 HydrophobicContact CB-CG 4.45Å; L115-F118 HydrophobicContact CD1-CB 4.18Å; L115-F118 HydrophobicContact CD1-CG 4.32Å; L115-F118 HydrophobicContact CG-CB 4.5Å; L115-F118 PolarHBondContact O-N 3.16Å; F118-E120 HydrophobicContact CE1-CB 3.84Å; F118-E120 VanDerWaalsContact CE1-O 3.29Å; F118-E120 WeakPolarHBondContact CE1-O 3.44Å; F118-E120 HydrophobicContact CE2-CB 4.22Å; F118-E120 HydrophobicContact CZ-CB 3.64Å; F118-E120 HydrophobicContact CZ-CG 4.41Å; F118-I122 HydrophobicContact CD1-CD1 4.31Å; F118-I122 HydrophobicContact CE1-CD1 3.46Å; F118-I122 VanDerWaalsContact CE1-CD1 3.46Å; F118-I122 HydrophobicContact CE1-CG1 3.65Å; F118-I122 HydrophobicContact CZ-CD1 3.99Å; F118-I122 HydrophobicContact CZ-CG1 4.05Å; F118-A150 HydrophobicContact CD2-CB 3.94Å; F118-A150 HydrophobicContact CE2-CB 3.88Å; F118-V218 HydrophobicContact CD2-CG1 4.41Å; F118-V218 HydrophobicContact CE1-CG1 4.38Å; F118-V218 HydrophobicContact CE2-CG1 3.32Å; F118-V218 HydrophobicContact CZ-CB 4.48Å; F118-V218 HydrophobicContact CZ-CG1 3.29Å; F118-V218 HydrophobicContact CZ-CG2 4.32Å
119	R	78.8	Confident	90	Very high	227 Å²	227	77.1 Å²	77.1	86%	0.857	37%	0.368	S	S	*	.			trans	-97.5	-0.6	-176.7	-61.4	-173.1	-176.6	177.9	2.9	114.6	D117	D117-R119 PolarHBondContact O-N 3.47Å
120	E	82.7	Confident	90.3	Very high	76 Å²	76	72 Å²	72	36%	0.355	34%	0.341	S	S	.	.			trans	-80.4	146.2	-173.4	-61.2	-177.7	-136.3	0	0	111.3	F118 R211	F118-E120 HydrophobicContact CE1-CB 3.84Å; F118-E120 VanDerWaalsContact CE1-O 3.29Å; F118-E120 WeakPolarHBondContact CE1-O 3.44Å; F118-E120 HydrophobicContact CE2-CB 4.22Å; F118-E120 HydrophobicContact CZ-CB 3.64Å; F118-E120 HydrophobicContact CZ-CG 4.41Å; E120-R211 IonicContact OE1-CZ 3.63Å; E120-R211 IonicContact OE1-NH1 3.8Å; E120-R211 PolarHBondContact OE1-NH1 2.93Å; E120-R211 IonicContact OE1-NH2 2.68Å; E120-R211 VanDerWaalsContact OE2-CD 3.31Å; E120-R211 WeakPolarHBondContact OE2-CD 3.45Å; E120-R211 WeakPolarHBondContact OE2-CG 3.48Å; E120-R211 IonicContact OE2-CZ 2.92Å; E120-R211 VanDerWaalsContact OE2-CZ 3.29Å; E120-R211 IonicContact OE2-NE 2.63Å; E120-R211 IonicContact OE2-NH1 3.98Å; E120-R211 PolarHBondContact OE2-NH1 2.69Å
121	R	90.2	Very high	90.5	Very high	180 Å²	180	65.4 Å²	65.4	68%	0.679	31%	0.313	S	S	*	.			trans	-80.2	136.4	172.7	-69.3	177	176.5	-173	1	109.1	Q212	R121-Q212 HydrophobicContact CB-CB 3.71Å; R121-Q212 HydrophobicContact CB-CG 4.3Å; R121-Q212 VanDerWaalsContact O-CB 3.26Å; R121-Q212 WeakPolarHBondContact O-CB 3.42Å; R121-Q212 PolarHBondContact O-N 3.27Å
122	I	93.7	Very high	90.6	Very high	31 Å²	31	70.2 Å²	70.2	16%	0.159	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.6	-178	-64.6	174.2	0	0	0	109.5	I112 F118 P209 V210 V218	I112-I122 HydrophobicContact CD1-CD1 3.66Å; I112-I122 HydrophobicContact CG1-CD1 3.78Å; I112-I122 HydrophobicContact CG2-CD1 4.16Å; F118-I122 HydrophobicContact CD1-CD1 4.31Å; F118-I122 HydrophobicContact CE1-CD1 3.46Å; F118-I122 VanDerWaalsContact CE1-CD1 3.46Å; F118-I122 HydrophobicContact CE1-CG1 3.65Å; F118-I122 HydrophobicContact CZ-CD1 3.99Å; F118-I122 HydrophobicContact CZ-CG1 4.05Å; I122-P209 HydrophobicContact CG2-CB 3.56Å; I122-V210 WeakPolarHBondContact CA-O 3.29Å; I122-V218 HydrophobicContact CG1-CG2 4.37Å
123	E	96.2	Very high	90.6	Very high	61 Å²	61	74.7 Å²	74.7	29%	0.285	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.3	160.9	-72	170.9	-168.7	0	0	108.7	K125 P209 V210 Q212 G213	E123-K125 WeakPolarHBondContact OE2-CE 3.4Å; E123-K125 IonicContact OE2-NZ 3.89Å; E123-K125 PolarHBondContact OE2-NZ 3.4Å; E123-K125 VanDerWaalsContact OE2-NZ 3.16Å; E123-P209 WeakPolarHBondContact O-CA 3.47Å; E123-V210 HydrophobicContact CB-CG2 3.85Å; E123-V210 PolarHBondContact N-O 3.45Å; E123-V210 WeakPolarHBondContact O-CG2 3.33Å; E123-V210 PolarHBondContact O-N 3.19Å; E123-Q212 HydrophobicContact CG-CB 4.42Å; E123-Q212 HydrophobicContact CG-CG 4.27Å; E123-Q212 WeakPolarHBondContact OE1-CG 3.26Å; E123-G213 PolarHBondContact OE1-N 3.1Å
124	W	97.8	Very high	90.9	Very high	43 Å²	43	73.3 Å²	73.3	16%	0.163	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.9	175.8	-71.1	86.5	0	0	0	109.5	A107 A111 I112 R207 L208 P209 K235 Y244	A107-W124 HydrophobicContact CB-CB 3.85Å; A107-W124 HydrophobicContact CB-CD2 3.59Å; A107-W124 HydrophobicContact CB-CE3 3.68Å; A107-W124 HydrophobicContact CB-CG 3.69Å; A107-W124 HydrophobicContact CB-CZ3 4.38Å; A107-W124 VanDerWaalsContact O-CD1 3.25Å; A111-W124 HydrophobicContact CB-CH2 3.81Å; A111-W124 HydrophobicContact CB-CZ2 3.85Å; I112-W124 HydrophobicContact CD1-CH2 4.06Å; I112-W124 HydrophobicContact CD1-CZ2 3.54Å; I112-W124 HydrophobicContact CG1-CZ2 3.92Å; W124-R207 HydrophobicContact CB-CB 4.29Å; W124-R207 HydrophobicContact CE3-CB 4.28Å; W124-R207 WeakPolarHBondContact CZ3-O 3.33Å; W124-L208 WeakPolarHBondContact CA-O 3.42Å; W124-P209 HydrophobicContact CH2-CB 4.48Å; W124-P209 HydrophobicContact CZ3-CB 4.48Å; W124-P209 HydrophobicContact CZ3-CG 4.43Å; W124-K235 HydrophobicContact CZ3-CD 4.39Å; W124-Y244 AromaticContact CH2-CE2 3.97Å; W124-Y244 HydrophobicContact CH2-CE2 3.97Å
125	K	98	Very high	91.3	Very high	35 Å²	35	71.9 Å²	71.9	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.4	-176	-69	-172.8	-172.2	157.8	0	111.4	E123 E129 I130 R207 L208 V210 R214 N215	E123-K125 WeakPolarHBondContact OE2-CE 3.4Å; E123-K125 IonicContact OE2-NZ 3.89Å; E123-K125 PolarHBondContact OE2-NZ 3.4Å; E123-K125 VanDerWaalsContact OE2-NZ 3.16Å; K125-E129 VanDerWaalsContact CA-OE2 3.31Å; K125-E129 WeakPolarHBondContact CA-OE2 3.23Å; K125-E129 HydrophobicContact CB-CB 4.18Å; K125-I130 HydrophobicContact CB-CD1 4.13Å; K125-I130 HydrophobicContact CB-CG1 3.65Å; K125-I130 HydrophobicContact CD-CG1 4.4Å; K125-R207 CarbonylContact O-C 3.57Å; K125-R207 WeakPolarHBondContact O-CA 3.45Å; K125-L208 PolarHBondContact N-O 3.33Å; K125-L208 PolarHBondContact O-N 3.07Å; K125-V210 HydrophobicContact CB-CG2 4.35Å; K125-V210 HydrophobicContact CD-CG2 3.77Å; K125-V210 HydrophobicContact CG-CG2 3.9Å; K125-R214 PolarHBondContact NZ-O 3.07Å; K125-N215 PolarHBondContact NZ-OD1 2.92Å
126	R	97.8	Very high	91.9	Very high	17 Å²	17	70.8 Å²	70.8	6%	0.064	34%	0.336	C	S	.	.			trans	-71.4	155.5	170.8	-60.3	-173.7	179	-89.8	2.6	110	L99 W100 H128 E129 I130 Y185 D206 R207	L99-R126 VanDerWaalsContact CB-NH2 3.33Å; W100-R126 PolarHBondContact O-NH2 3.42Å; R126-H128 VanDerWaalsContact C-N 3.26Å; R126-H128 PolarHBondContact O-N 2.75Å; R126-H128 VanDerWaalsContact O-N 3.15Å; R126-E129 HydrophobicContact CB-CG 4.19Å; R126-E129 PolarHBondContact N-OE2 3.49Å; R126-E129 WeakPolarHBondContact O-CB 3.47Å; R126-E129 PolarHBondContact O-N 3.48Å; R126-I130 PolarHBondContact O-N 3.36Å; R126-Y185 WeakPolarHBondContact CD-OH 3.48Å; R126-D206 WeakPolarHBondContact CG-OD1 3.44Å; R126-D206 IonicContact CZ-OD1 3Å; R126-D206 IonicContact NE-OD1 2.7Å; R126-D206 IonicContact NH1-OD1 2.74Å; R126-D206 PolarHBondContact NH1-OD1 3.11Å; R126-R207 HydrophobicContact CG-CG 3.55Å
127	P	97.7	Very high	92.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-38.3	-173.8	-28.4	39.8	0	0	0	112.9	E129 I130 N131 A134 L180 D206 F228	P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 3.01Å; P127-I130 WeakPolarHBondContact O-CB 3.27Å; P127-I130 PolarHBondContact O-N 3.13Å; P127-N131 PolarHBondContact O-N 3.19Å; P127-A134 HydrophobicContact CB-CB 3.69Å; P127-A134 WeakPolarHBondContact O-CB 3.43Å; P127-L180 HydrophobicContact CB-CB 4.46Å; P127-L180 HydrophobicContact CB-CD1 3.89Å; P127-L180 HydrophobicContact CG-CD1 3.9Å; P127-L180 HydrophobicContact CG-CD2 4.32Å; P127-D206 WeakPolarHBondContact CD-O 3.41Å; P127-D206 VanDerWaalsContact CD-OD2 3.31Å; P127-D206 WeakPolarHBondContact CD-OD2 3.36Å; P127-D206 HydrophobicContact CG-CB 4.24Å; P127-F228 HydrophobicContact CB-CB 4.48Å; P127-F228 HydrophobicContact CB-CD1 4.05Å; P127-F228 HydrophobicContact CB-CD2 3.94Å; P127-F228 HydrophobicContact CB-CE1 4.24Å; P127-F228 HydrophobicContact CB-CE2 4.16Å; P127-F228 HydrophobicContact CB-CG 3.89Å; P127-F228 HydrophobicContact CB-CZ 4.3Å; P127-F228 HydrophobicContact CG-CD1 4.43Å; P127-F228 HydrophobicContact CG-CG 4.38Å
128	H	95.4	Very high	93.2	Very high	65 Å²	65	62.8 Å²	62.8	30%	0.301	29%	0.289	S	S	.	.	H	α-helix	trans	-71.4	-18.8	177.8	66.7	72.2	0	0	0	114.4	R126 N131	R126-H128 VanDerWaalsContact C-N 3.26Å; R126-H128 PolarHBondContact O-N 2.75Å; R126-H128 VanDerWaalsContact O-N 3.15Å; H128-N131 WeakPolarHBondContact CA-O 3.19Å
129	E	96.1	Very high	93.4	Very high	99 Å²	99	65.1 Å²	65.1	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-81.5	-27.8	172.6	-57.8	175.3	144.9	0	0	111.2	K125 R126 P127 N215	K125-E129 VanDerWaalsContact CA-OE2 3.31Å; K125-E129 WeakPolarHBondContact CA-OE2 3.23Å; K125-E129 HydrophobicContact CB-CB 4.18Å; R126-E129 HydrophobicContact CB-CG 4.19Å; R126-E129 PolarHBondContact N-OE2 3.49Å; R126-E129 WeakPolarHBondContact O-CB 3.47Å; R126-E129 PolarHBondContact O-N 3.48Å; P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 3.01Å; E129-N215 PolarHBondContact O-ND2 2.96Å
130	I	97.4	Very high	93.8	Very high	16 Å²	16	56 Å²	56	8%	0.082	30%	0.301	C	S	.	.	H	α-helix	trans	-77.6	-51.2	174.6	-58	174.4	0	0	0	109.6	K125 R126 P127 L208 V210 N215 L217 F228	K125-I130 HydrophobicContact CB-CD1 4.13Å; K125-I130 HydrophobicContact CB-CG1 3.65Å; K125-I130 HydrophobicContact CD-CG1 4.4Å; R126-I130 PolarHBondContact O-N 3.36Å; P127-I130 WeakPolarHBondContact O-CB 3.27Å; P127-I130 PolarHBondContact O-N 3.13Å; I130-L208 HydrophobicContact CD1-CB 4.33Å; I130-V210 HydrophobicContact CD1-CG1 3.52Å; I130-V210 HydrophobicContact CG1-CG1 3.9Å; I130-N215 HydrophobicContact CG2-CB 3.95Å; I130-N215 VanDerWaalsContact CG2-O 3.31Å; I130-N215 WeakPolarHBondContact CG2-O 3.24Å; I130-N215 PolarHBondContact O-ND2 2.9Å; I130-L217 HydrophobicContact CD1-CD2 3.94Å; I130-F228 HydrophobicContact CB-CE1 4.25Å; I130-F228 HydrophobicContact CB-CZ 4.14Å; I130-F228 HydrophobicContact CD1-CE1 3.99Å; I130-F228 HydrophobicContact CG2-CE1 4.12Å; I130-F228 HydrophobicContact CG2-CZ 4.02Å
131	N	96.6	Very high	93.9	Very high	31 Å²	31	53.8 Å²	53.8	17%	0.166	30%	0.295	C	S	.	.			trans	-140.2	119.2	177.8	-171.4	-28.8	0	0	0	110.8	P127 H128 N133 A134 P225 F228	P127-N131 PolarHBondContact O-N 3.19Å; H128-N131 WeakPolarHBondContact CA-O 3.19Å; N131-N133 PolarHBondContact O-N 3.38Å; N131-N133 PolarHBondContact OD1-N 2.96Å; N131-A134 WeakPolarHBondContact O-CB 3.21Å; N131-A134 PolarHBondContact O-N 3.14Å; N131-P225 PolarHBondContact ND2-O 3.33Å; N131-F228 HydrophobicContact CB-CE2 4.36Å; N131-F228 HydrophobicContact CB-CZ 4.25Å
132	P	95.2	Very high	93.6	Very high	102 Å²	102	47 Å²	47	66%	0.662	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.1	178.7	-25.9	34.5	0	0	0	114.5	A134	P132-A134 VanDerWaalsContact C-N 3.33Å
133	N	95.4	Very high	92.8	Very high	104 Å²	104	48.9 Å²	48.9	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	8.9	178.4	-69.6	-38.9	0	0	0	113.8	N131 K181 T226	N131-N133 PolarHBondContact O-N 3.38Å; N131-N133 PolarHBondContact OD1-N 2.96Å; N133-K181 PolarHBondContact O-NZ 2.69Å; N133-T226 HydrophobicContact CB-CG2 3.99Å
134	A	96.3	Very high	92	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	29%	0.289	C	S	.	.			trans	-46.5	139.3	-179.4	0	0	0	0	0	113.2	P127 N131 P132 K181 T226 F228	P127-A134 HydrophobicContact CB-CB 3.69Å; P127-A134 WeakPolarHBondContact O-CB 3.43Å; N131-A134 WeakPolarHBondContact O-CB 3.21Å; N131-A134 PolarHBondContact O-N 3.14Å; P132-A134 VanDerWaalsContact C-N 3.33Å; A134-K181 WeakPolarHBondContact O-CE 3.4Å; A134-K181 PolarHBondContact O-NZ 3.25Å; A134-T226 CarbonylContact C-O 3.49Å; A134-T226 WeakPolarHBondContact CA-O 3.3Å; A134-F228 HydrophobicContact CB-CD2 3.83Å; A134-F228 HydrophobicContact CB-CE2 3.51Å; A134-F228 HydrophobicContact CB-CZ 4.39Å
135	K	95	Very high	91.4	Very high	104 Å²	104	49.7 Å²	49.7	45%	0.452	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-139	153.8	177.6	-61.7	174.5	-173	166.9	0	108	F137 A138 L180 T226 F228	K135-F137 WeakPolarHBondContact CB-O 3.42Å; K135-A138 HydrophobicContact CD-CB 4.48Å; K135-L180 VanDerWaalsContact C-CD1 3.49Å; K135-L180 WeakPolarHBondContact O-CD1 3.43Å; K135-T226 PolarHBondContact N-O 2.96Å; K135-F228 PolarHBondContact O-N 3.49Å
136	F	95.4	Very high	90.9	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	28%	0.279	C	S	.	.	S	Bend	trans	-69	-53.6	170.9	-166.6	-96.9	0	0	0	110.2	V174 Q178 L180 V189 F191 E227 W229 L232	F136-V174 HydrophobicContact CE1-CG1 3.56Å; F136-V174 HydrophobicContact CZ-CG1 3.75Å; F136-Q178 HydrophobicContact CB-CB 4.48Å; F136-Q178 WeakPolarHBondContact CB-O 3.43Å; F136-Q178 HydrophobicContact CD1-CB 4.07Å; F136-Q178 HydrophobicContact CD2-CB 3.9Å; F136-Q178 HydrophobicContact CE1-CB 4.25Å; F136-Q178 HydrophobicContact CE2-CB 4.11Å; F136-Q178 HydrophobicContact CG-CB 3.88Å; F136-Q178 HydrophobicContact CZ-CB 4.27Å; F136-Q178 HydrophobicContact CZ-CG 4.48Å; F136-L180 HydrophobicContact CB-CD1 4.2Å; F136-L180 HydrophobicContact CB-CG 4.11Å; F136-L180 HydrophobicContact CD2-CD1 4.33Å; F136-L180 HydrophobicContact CD2-CD2 4.15Å; F136-L180 HydrophobicContact CD2-CG 4.28Å; F136-V189 HydrophobicContact CD2-CG1 4.42Å; F136-V189 HydrophobicContact CE2-CG1 3.57Å; F136-V189 HydrophobicContact CZ-CG1 4.28Å; F136-F191 HydrophobicContact CE2-CZ 4.1Å; F136-F191 HydrophobicContact CZ-CE1 4.15Å; F136-F191 AromaticContact CZ-CZ 3.87Å; F136-F191 HydrophobicContact CZ-CZ 3.87Å; F136-E227 WeakPolarHBondContact O-CG 3.22Å; F136-W229 HydrophobicContact CD1-CB 3.91Å; F136-W229 HydrophobicContact CD2-CB 4.46Å; F136-W229 HydrophobicContact CE1-CB 3.63Å; F136-W229 HydrophobicContact CE2-CB 4.19Å; F136-W229 HydrophobicContact CG-CB 4.33Å; F136-W229 HydrophobicContact CZ-CB 3.78Å; F136-W229 WeakPolarHBondContact O-CB 3.48Å; F136-W229 PolarHBondContact O-N 3.48Å; F136-W229 VanDerWaalsContact O-N 3.16Å; F136-L232 HydrophobicContact CD2-CD1 3.84Å; F136-L232 HydrophobicContact CE2-CD1 3.77Å
137	F	92.8	Very high	90.4	Very high	54 Å²	54	50 Å²	50	24%	0.237	29%	0.288	C	S	.	.			trans	-114.6	142.2	170.2	-63.9	-62.4	0	0	0	111.9	K135 A141 F170 V174 E227 W229	K135-F137 WeakPolarHBondContact CB-O 3.42Å; F137-A141 HydrophobicContact CD1-CB 4.19Å; F137-A141 HydrophobicContact CE1-CB 3.72Å; F137-F170 AromaticContact CE1-CE1 3.82Å; F137-F170 HydrophobicContact CE1-CE1 3.82Å; F137-F170 AromaticContact CE1-CZ 3.95Å; F137-F170 HydrophobicContact CE1-CZ 3.95Å; F137-F170 AromaticContact CZ-CE1 3.68Å; F137-F170 HydrophobicContact CZ-CE1 3.68Å; F137-F170 HydrophobicContact CZ-CZ 4.13Å; F137-V174 HydrophobicContact CZ-CG1 3.78Å; F137-E227 WeakPolarHBondContact CA-OE1 3.21Å; F137-W229 HydrophobicContact CD1-CB 4.09Å; F137-W229 AromaticContact CD1-CD1 3.37Å; F137-W229 AromaticContact CD1-CG 3.75Å; F137-W229 HydrophobicContact CD1-CG 3.75Å; F137-W229 AromaticContact CD1-NE1 3.97Å; F137-W229 HydrophobicContact CE1-CB 3.73Å; F137-W229 AromaticContact CE1-CD1 3.56Å; F137-W229 AromaticContact CE1-CD2 3.98Å; F137-W229 HydrophobicContact CE1-CD2 3.98Å; F137-W229 AromaticContact CE1-CG 3.46Å; F137-W229 HydrophobicContact CE1-CG 3.46Å; F137-W229 VanDerWaalsContact CE1-CG 3.46Å; F137-W229 HydrophobicContact CZ-CB 4.38Å; F137-W229 HydrophobicContact CZ-CG 4.48Å
138	A	89.4	Confident	90	Very high	28 Å²	28	51.6 Å²	51.6	23%	0.231	30%	0.295	C	S	.	.	S	Bend	trans	-118.6	68.7	173.9	0	0	0	0	0	110.7	K135 D224 E227	K135-A138 HydrophobicContact CD-CB 4.48Å; A138-D224 VanDerWaalsContact CB-OD2 3.32Å; A138-D224 WeakPolarHBondContact CB-OD2 3.37Å; A138-E227 HydrophobicContact CB-CB 3.81Å; A138-E227 HydrophobicContact CB-CG 4.15Å; A138-E227 PolarHBondContact N-OE1 2.86Å
139	G	84.5	Confident	89.8	Confident	88 Å²	88	49.6 Å²	49.6	91%	0.907	29%	0.293	S	S	*	.	S	Bend	trans	107.7	3.5	-176.9	0	0	0	0	0	114.2
140	G	85.7	Confident	89.4	Confident	35 Å²	35	47.1 Å²	47.1	36%	0.361	29%	0.289	S	S	.	.	S	Bend	trans	101.5	164.4	-177	0	0	0	0	0	110.4	S142	G140-S142 PolarHBondContact O-N 3.01Å
141	A	86.1	Confident	88.9	Confident	30 Å²	30	46.5 Å²	46.5	25%	0.248	29%	0.286	C	S	.	.			trans	-67.7	134.7	177.7	0	0	0	0	0	110.8	F137 F170 W229	F137-A141 HydrophobicContact CD1-CB 4.19Å; F137-A141 HydrophobicContact CE1-CB 3.72Å; A141-F170 HydrophobicContact CB-CD1 3.85Å; A141-F170 HydrophobicContact CB-CE1 3.23Å; A141-F170 HydrophobicContact CB-CE2 4Å; A141-F170 HydrophobicContact CB-CG 4.44Å; A141-F170 HydrophobicContact CB-CZ 3.31Å; A141-W229 HydrophobicContact CB-CZ2 4.15Å
142	S	84.2	Confident	88.4	Confident	36 Å²	36	45.4 Å²	45.4	25%	0.252	28%	0.282	S	S	.	.			trans	-141.9	152	179.4	169.7	0	0	0	0	109.6	G140 F144 D145	G140-S142 PolarHBondContact O-N 3.01Å; S142-F144 PolarHBondContact O-N 2.89Å; S142-F144 VanDerWaalsContact O-N 3.15Å; S142-F144 WeakPolarHBondContact OG-CD2 3.27Å; S142-F144 PolarHBondContact OG-N 2.88Å; S142-D145 WeakPolarHBondContact CB-OD1 3.24Å; S142-D145 PolarHBondContact N-OD2 3.08Å; S142-D145 WeakPolarHBondContact O-CB 3.25Å; S142-D145 PolarHBondContact O-N 2.99Å; S142-D145 VanDerWaalsContact O-N 3.1Å; S142-D145 VanDerWaalsContact O-OD2 3.14Å
143	R	76.2	Confident	88.1	Confident	71 Å²	71	40.6 Å²	40.6	27%	0.268	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.2	-22.8	173.9	67.8	-174.4	-174.8	179.8	11.7	113	D145 A161 S164 D374 E376	R143-D145 PolarHBondContact O-N 2.91Å; R143-A161 HydrophobicContact CB-CB 4.36Å; R143-S164 WeakPolarHBondContact CA-OG 3.47Å; R143-S164 PolarHBondContact N-OG 3.47Å; R143-D374 IonicContact CZ-OD2 2.73Å; R143-D374 IonicContact NH2-OD2 3.3Å; R143-D374 PolarHBondContact NH2-OD2 2.79Å; R143-E376 IonicContact CZ-OE1 3.97Å; R143-E376 IonicContact NH1-OE1 2.93Å; R143-E376 PolarHBondContact NH1-OE1 2.59Å; R143-E376 IonicContact NH2-OE1 3.56Å
144	F	79.4	Confident	87.8	Confident	108 Å²	108	36.1 Å²	36.1	47%	0.474	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-74.6	-7.5	178.7	-58.4	-62.8	0	0	0	113.5	S142 I146 D374	S142-F144 PolarHBondContact O-N 2.89Å; S142-F144 VanDerWaalsContact O-N 3.15Å; S142-F144 WeakPolarHBondContact OG-CD2 3.27Å; S142-F144 PolarHBondContact OG-N 2.88Å; F144-I146 PolarHBondContact O-N 3.37Å; F144-D374 HydrophobicContact CE1-CB 3.91Å; F144-D374 HydrophobicContact CZ-CB 4.33Å
145	D	84.3	Confident	87.5	Confident	14 Å²	14	36.4 Å²	36.4	8%	0.075	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-90.5	8.2	-177.8	-42	-19	0	0	0	111.9	S142 R143 H221 S222 E227 W229 S230	S142-D145 WeakPolarHBondContact CB-OD1 3.24Å; S142-D145 PolarHBondContact N-OD2 3.08Å; S142-D145 WeakPolarHBondContact O-CB 3.25Å; S142-D145 PolarHBondContact O-N 2.99Å; S142-D145 VanDerWaalsContact O-N 3.1Å; S142-D145 VanDerWaalsContact O-OD2 3.14Å; R143-D145 PolarHBondContact O-N 2.91Å; D145-H221 CarbonylContact O-C 3.59Å; D145-S222 WeakPolarHBondContact CA-OG 3.5Å; D145-S222 VanDerWaalsContact O-CA 3.25Å; D145-S222 WeakPolarHBondContact O-CA 3.4Å; D145-S222 PolarHBondContact O-N 3.07Å; D145-E227 WeakPolarHBondContact CB-OE2 3.47Å; D145-W229 HydrophobicContact CB-CZ2 3.78Å; D145-W229 PolarHBondContact OD2-NE1 2.84Å; D145-S230 WeakPolarHBondContact O-CB 3.45Å; D145-S230 PolarHBondContact O-OG 3.48Å
146	I	87.2	Confident	87.4	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.026	21%	0.207	C	C	.	.			trans	-123.3	96.2	-171.1	-56.5	163.7	0	0	0	108.4	F144 L157 V160 A161 M220 W229	F144-I146 PolarHBondContact O-N 3.37Å; I146-L157 HydrophobicContact CG2-CB 3.87Å; I146-L157 HydrophobicContact CG2-CD2 3.9Å; I146-L157 HydrophobicContact CG2-CG 3.68Å; I146-V160 HydrophobicContact CD1-CB 4.18Å; I146-V160 HydrophobicContact CD1-CG1 3.71Å; I146-V160 HydrophobicContact CG1-CG1 4.37Å; I146-A161 HydrophobicContact CD1-CB 3.58Å; I146-A161 VanDerWaalsContact CD1-N 3.27Å; I146-M220 HydrophobicContact CG2-CG 4.3Å; I146-M220 HydrophobicContact CG2-SD 4.23Å; I146-W229 HydrophobicContact CD1-CH2 3.93Å; I146-W229 HydrophobicContact CD1-CZ2 4.45Å; I146-W229 HydrophobicContact CG1-CH2 3.94Å; I146-W229 HydrophobicContact CG1-CZ2 4.2Å
147	E	87.5	Confident	87.3	Confident	54 Å²	54	31.2 Å²	31.2	25%	0.252	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-109.9	136.9	166.3	-59.7	-153	143.3	0	0	109.8	M220 H221 N223	E147-M220 VanDerWaalsContact O-CA 3.27Å; E147-M220 WeakPolarHBondContact O-CA 3.41Å; E147-H221 WeakPolarHBondContact CB-O 3.36Å; E147-H221 PolarHBondContact N-O 2.91Å; E147-H221 PolarHBondContact O-N 3.34Å; E147-H221 VanDerWaalsContact O-N 3.13Å; E147-H221 IonicContact OE2-CD2 3.65Å; E147-H221 IonicContact OE2-CE1 2.8Å; E147-H221 IonicContact OE2-NE2 3.96Å; E147-H221 PolarHBondContact OE2-NE2 3.07Å; E147-N223 PolarHBondContact OE1-ND2 2.6Å; E147-N223 PolarHBondContact OE1-OD1 3.37Å
148	Q	89.6	Confident	87.1	Confident	32 Å²	32	28.6 Å²	28.6	15%	0.15	19%	0.194	C	C	.	.			trans	-73.4	133	175.2	-164	173.7	-40.1	0	0	110.6	L151 C154 L157 E302	Q148-L151 WeakPolarHBondContact CG-O 3.14Å; Q148-L151 PolarHBondContact NE2-O 2.9Å; Q148-C154 VanDerWaalsContact OE1-CB 3.22Å; Q148-L157 VanDerWaalsContact CA-CD2 3.42Å; Q148-L157 HydrophobicContact CB-CD2 3.47Å; Q148-L157 VanDerWaalsContact CB-CD2 3.47Å; Q148-L157 HydrophobicContact CG-CD2 3.76Å; Q148-E302 PolarHBondContact NE2-OE1 3.38Å
149	G	90.6	Very high	87.3	Confident	24 Å²	24	27.3 Å²	27.3	25%	0.247	18%	0.183	C	C	.	.			trans	-94.1	-138.2	171.6	0	0	0	0	0	112.1	L151 V218 F219	G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 3.2Å; G149-V218 WeakPolarHBondContact CA-O 3.36Å; G149-F219 WeakPolarHBondContact CA-O 3.5Å
150	A	89	Confident	87.7	Confident	47 Å²	47	23.1 Å²	23.1	39%	0.388	14%	0.14	S	C	.	.	S	Bend	trans	-79.8	-2.2	-174.1	0	0	0	0	0	115.6	F118 V218 F219	F118-A150 HydrophobicContact CD2-CB 3.94Å; F118-A150 HydrophobicContact CE2-CB 3.88Å; A150-V218 HydrophobicContact CB-CG1 4.13Å; A150-V218 PolarHBondContact N-O 2.89Å; A150-F219 HydrophobicContact CB-CD1 4.27Å; A150-F219 HydrophobicContact CB-CE1 4.37Å
151	L	87.3	Confident	87.9	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	-93.8	147.9	179.7	-68.9	167.7	0	0	0	110.9	L115 Q148 G149 D153 F219 Y244 S248	L115-L151 HydrophobicContact CD1-CD2 3.93Å; L115-L151 HydrophobicContact CD2-CD2 3.68Å; L115-L151 HydrophobicContact CG-CD2 4.45Å; Q148-L151 WeakPolarHBondContact CG-O 3.14Å; Q148-L151 PolarHBondContact NE2-O 2.9Å; G149-L151 VanDerWaalsContact C-N 3.31Å; G149-L151 PolarHBondContact O-N 3.2Å; L151-D153 HydrophobicContact CB-CB 4.26Å; L151-D153 PolarHBondContact O-N 2.97Å; L151-F219 HydrophobicContact CB-CD1 4.44Å; L151-F219 HydrophobicContact CD1-CB 4.18Å; L151-F219 HydrophobicContact CD1-CD1 3.53Å; L151-F219 HydrophobicContact CD1-CD2 4.21Å; L151-F219 HydrophobicContact CD1-CE1 3.81Å; L151-F219 HydrophobicContact CD1-CE2 4.46Å; L151-F219 HydrophobicContact CD1-CG 3.74Å; L151-F219 HydrophobicContact CD1-CZ 4.28Å; L151-F219 HydrophobicContact CD2-CD1 4.29Å; L151-F219 HydrophobicContact CD2-CE1 3.9Å; L151-F219 HydrophobicContact CD2-CZ 4.49Å; L151-F219 HydrophobicContact CG-CD1 3.42Å; L151-F219 VanDerWaalsContact CG-CD1 3.42Å; L151-F219 HydrophobicContact CG-CE1 3.55Å; L151-F219 HydrophobicContact CG-CG 4.16Å; L151-F219 HydrophobicContact CG-CZ 4.38Å; L151-Y244 HydrophobicContact CD1-CD1 3.6Å; L151-Y244 HydrophobicContact CD1-CG 4.28Å; L151-S248 WeakPolarHBondContact CD2-OG 3.45Å
152	G	86.1	Confident	88	Confident	9 Å²	9	20.7 Å²	20.7	9%	0.093	12%	0.116	C	C	.	.			trans	-88.6	55.3	172	0	0	0	0	0	111.4	G249	G152-G249 PolarHBondContact O-N 3.45Å
153	D	88.6	Confident	88.3	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.			trans	-111.3	24	-173.2	70.4	-26	0	0	0	113	L151 W155 L156 L157 E234 L247	L151-D153 HydrophobicContact CB-CB 4.26Å; L151-D153 PolarHBondContact O-N 2.97Å; D153-W155 PolarHBondContact O-N 3.42Å; D153-L156 WeakPolarHBondContact O-CB 3.26Å; D153-L156 PolarHBondContact O-N 2.81Å; D153-L157 HydrophobicContact CB-CD1 4.42Å; D153-L157 VanDerWaalsContact CG-CD1 3.4Å; D153-L157 WeakPolarHBondContact O-CD1 3.37Å; D153-L157 PolarHBondContact O-N 2.95Å; D153-L157 VanDerWaalsContact OD1-CD1 3.31Å; D153-L157 WeakPolarHBondContact OD1-CD1 3.49Å; D153-L157 WeakPolarHBondContact OD2-CD1 3.39Å; D153-E234 VanDerWaalsContact OD2-OE1 3.13Å; D153-L247 HydrophobicContact CB-CB 4.05Å; D153-L247 WeakPolarHBondContact CB-O 3.39Å
154	C	89	Confident	88.9	Confident	10 Å²	10	15.9 Å²	15.9	7%	0.068	9%	0.094	C	C	.	.	H	α-helix	trans	-49.1	-30.5	179.6	62.9	0	0	0	0	114.2	Q148 L156 L157 A158 H313 A314	Q148-C154 VanDerWaalsContact OE1-CB 3.22Å; C154-L156 VanDerWaalsContact C-N 3.3Å; C154-L156 PolarHBondContact O-N 2.99Å; C154-L157 PolarHBondContact O-N 2.88Å; C154-A158 VanDerWaalsContact O-CB 3.31Å; C154-A158 WeakPolarHBondContact O-CB 3.43Å; C154-A158 PolarHBondContact O-N 2.79Å; C154-H313 VanDerWaalsContact CB-CE1 3.48Å; C154-H313 WeakPolarHBondContact CB-CE1 3.36Å; C154-H313 VanDerWaalsContact CB-ND1 3.32Å; C154-H313 WeakPolarHBondContact CB-ND1 3.32Å; C154-H313 PolarHBondContact SG-ND1 3.1Å; C154-H313 VanDerWaalsContact SG-ND1 3.36Å; C154-A314 HydrophobicContact CB-CB 4.43Å
155	W	90.7	Very high	89.1	Confident	8 Å²	8	13.3 Å²	13.3	3%	0.03	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-35.6	175.3	62.7	-86.9	0	0	0	113.1	D153 V159 Y237 L247 Q252 E254 A255 A314	D153-W155 PolarHBondContact O-N 3.42Å; W155-V159 WeakPolarHBondContact O-CG2 3.36Å; W155-Y237 AromaticContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CZ2-CE1 4.48Å; W155-Y237 HydrophobicContact CZ3-CE1 4.21Å; W155-L247 PolarHBondContact NE1-O 3.29Å; W155-Q252 HydrophobicContact CB-CG 4.35Å; W155-E254 HydrophobicContact CZ3-CB 4.19Å; W155-A255 HydrophobicContact CE3-CB 3.55Å; W155-A255 HydrophobicContact CZ3-CB 3.65Å; W155-A314 HydrophobicContact CB-CB 4.38Å
156	L	92.3	Very high	89.2	Confident	0 Å²	0	15 Å²	15	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-75.6	-49.6	172.5	175	66	0	0	0	110.4	D153 C154 A158 V159 V160 M220 Y237 L247 A255 L259	D153-L156 WeakPolarHBondContact O-CB 3.26Å; D153-L156 PolarHBondContact O-N 2.81Å; C154-L156 VanDerWaalsContact C-N 3.3Å; C154-L156 PolarHBondContact O-N 2.99Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 2.96Å; L156-V159 PolarHBondContact O-N 2.79Å; L156-V160 HydrophobicContact CD1-CG2 3.96Å; L156-V160 HydrophobicContact CG-CG2 4.08Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.88Å; L156-M220 HydrophobicContact CD2-CE 4.33Å; L156-Y237 HydrophobicContact CD1-CD1 3.91Å; L156-Y237 HydrophobicContact CD1-CE1 3.87Å; L156-Y237 HydrophobicContact CD1-CG 4.29Å; L156-Y237 HydrophobicContact CD2-CD1 3.52Å; L156-Y237 HydrophobicContact CD2-CE1 4.1Å; L156-Y237 HydrophobicContact CD2-CG 4.14Å; L156-Y237 HydrophobicContact CG-CD1 4.31Å; L156-Y237 HydrophobicContact CG-CE1 4.5Å; L156-L247 HydrophobicContact CD2-CD1 4.46Å; L156-A255 HydrophobicContact CD1-CB 4.14Å; L156-L259 HydrophobicContact CD1-CD1 3.85Å
157	L	92.1	Very high	89.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-42	-175.9	-83	68.1	0	0	0	112.1	I146 Q148 D153 C154 V159 V160 A161 M220 P338	I146-L157 HydrophobicContact CG2-CB 3.87Å; I146-L157 HydrophobicContact CG2-CD2 3.9Å; I146-L157 HydrophobicContact CG2-CG 3.68Å; Q148-L157 VanDerWaalsContact CA-CD2 3.42Å; Q148-L157 HydrophobicContact CB-CD2 3.47Å; Q148-L157 VanDerWaalsContact CB-CD2 3.47Å; Q148-L157 HydrophobicContact CG-CD2 3.76Å; D153-L157 HydrophobicContact CB-CD1 4.42Å; D153-L157 VanDerWaalsContact CG-CD1 3.4Å; D153-L157 WeakPolarHBondContact O-CD1 3.37Å; D153-L157 PolarHBondContact O-N 2.95Å; D153-L157 VanDerWaalsContact OD1-CD1 3.31Å; D153-L157 WeakPolarHBondContact OD1-CD1 3.49Å; D153-L157 WeakPolarHBondContact OD2-CD1 3.39Å; C154-L157 PolarHBondContact O-N 2.88Å; L157-V159 PolarHBondContact O-N 3.33Å; L157-V160 PolarHBondContact O-N 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.48Å; L157-M220 HydrophobicContact CD1-CE 3.26Å; L157-M220 HydrophobicContact CD2-CE 4.48Å; L157-M220 HydrophobicContact CD2-CG 4.33Å; L157-M220 HydrophobicContact CG-CE 3.53Å; L157-M220 HydrophobicContact CG-CG 4.29Å; L157-M220 HydrophobicContact CG-SD 4.39Å; L157-P338 HydrophobicContact CB-CB 4.47Å
158	A	89.6	Confident	89.3	Confident	0 Å²	0	19 Å²	19	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.7	-37.1	176.6	0	0	0	0	0	112.1	C154 L156 S162 A314 S316 P338	C154-A158 VanDerWaalsContact O-CB 3.31Å; C154-A158 WeakPolarHBondContact O-CB 3.43Å; C154-A158 PolarHBondContact O-N 2.79Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 2.96Å; A158-S162 WeakPolarHBondContact O-CB 3.39Å; A158-S162 PolarHBondContact O-N 3.03Å; A158-S162 VanDerWaalsContact O-N 3.07Å; A158-S162 PolarHBondContact O-OG 2.96Å; A158-A314 HydrophobicContact CB-CB 3.99Å; A158-S316 PolarHBondContact O-OG 3.28Å; A158-P338 HydrophobicContact CB-CB 4.31Å; A158-P338 HydrophobicContact CB-CG 4.19Å
159	V	93.3	Very high	89.3	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-78.6	-45.4	178.6	-177.5	0	0	0	0	111	W155 L156 L157 A161 S162 I163 Q252 A255 M256 L259	W155-V159 WeakPolarHBondContact O-CG2 3.36Å; L156-V159 PolarHBondContact O-N 2.79Å; L157-V159 PolarHBondContact O-N 3.33Å; V159-A161 VanDerWaalsContact C-N 3.27Å; V159-A161 PolarHBondContact O-N 3.36Å; V159-S162 CarbonylContact O-C 3.42Å; V159-S162 WeakPolarHBondContact O-CA 3.33Å; V159-S162 WeakPolarHBondContact O-CB 3.44Å; V159-S162 PolarHBondContact O-N 3.45Å; V159-I163 HydrophobicContact CG1-CG2 4.39Å; V159-I163 WeakPolarHBondContact O-CG1 3.4Å; V159-I163 PolarHBondContact O-N 3.43Å; V159-Q252 HydrophobicContact CG2-CB 4.03Å; V159-A255 HydrophobicContact CB-CB 3.99Å; V159-A255 HydrophobicContact CG1-CB 4.41Å; V159-A255 HydrophobicContact CG2-CB 3.75Å; V159-M256 HydrophobicContact CB-CG 4.36Å; V159-M256 HydrophobicContact CG1-CB 4.39Å; V159-M256 HydrophobicContact CG1-CG 3.81Å; V159-M256 HydrophobicContact CG2-CE 4.1Å; V159-M256 HydrophobicContact CG2-CG 3.54Å; V159-L259 HydrophobicContact CB-CD1 3.96Å; V159-L259 HydrophobicContact CG1-CB 4.29Å; V159-L259 HydrophobicContact CG1-CD1 3.55Å
160	V	93.8	Very high	89.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.4	-44.2	175.1	178.5	0	0	0	0	110.4	I146 L156 L157 S162 I163 S164 W229 L233 L259	I146-V160 HydrophobicContact CD1-CB 4.18Å; I146-V160 HydrophobicContact CD1-CG1 3.71Å; I146-V160 HydrophobicContact CG1-CG1 4.37Å; L156-V160 HydrophobicContact CD1-CG2 3.96Å; L156-V160 HydrophobicContact CG-CG2 4.08Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.88Å; L157-V160 PolarHBondContact O-N 3.28Å; V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 3.29Å; V160-I163 WeakPolarHBondContact O-CG1 3.27Å; V160-I163 PolarHBondContact O-N 3.2Å; V160-S164 WeakPolarHBondContact O-CB 3.49Å; V160-S164 PolarHBondContact O-N 2.7Å; V160-W229 HydrophobicContact CG1-CH2 3.77Å; V160-W229 HydrophobicContact CG1-CZ3 3.69Å; V160-L233 HydrophobicContact CG1-CD1 4.14Å; V160-L233 HydrophobicContact CG1-CD2 4.46Å; V160-L233 HydrophobicContact CG2-CD1 4.48Å; V160-L233 HydrophobicContact CG2-CD2 3.76Å; V160-L259 HydrophobicContact CG2-CD1 3.7Å
161	A	88.8	Confident	89.6	Confident	4 Å²	4	16.8 Å²	16.8	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-39.4	175.5	0	0	0	0	0	111.9	R143 I146 L157 V159 S164	R143-A161 HydrophobicContact CB-CB 4.36Å; I146-A161 HydrophobicContact CD1-CB 3.58Å; I146-A161 VanDerWaalsContact CD1-N 3.27Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 3.48Å; V159-A161 VanDerWaalsContact C-N 3.27Å; V159-A161 PolarHBondContact O-N 3.36Å; A161-S164 PolarHBondContact O-OG 3.07Å
162	S	88.2	Confident	89.7	Confident	11 Å²	11	18.1 Å²	18.1	8%	0.077	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-53.7	174.2	-62.7	0	0	0	0	111.1	A158 V159 V160 S164 G165 Y166 S316 R336	A158-S162 WeakPolarHBondContact O-CB 3.39Å; A158-S162 PolarHBondContact O-N 3.03Å; A158-S162 VanDerWaalsContact O-N 3.07Å; A158-S162 PolarHBondContact O-OG 2.96Å; V159-S162 CarbonylContact O-C 3.42Å; V159-S162 WeakPolarHBondContact O-CA 3.33Å; V159-S162 WeakPolarHBondContact O-CB 3.44Å; V159-S162 PolarHBondContact O-N 3.45Å; V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 3.29Å; S162-S164 VanDerWaalsContact C-N 3.34Å; S162-S164 PolarHBondContact O-N 3.25Å; S162-G165 PolarHBondContact O-N 2.69Å; S162-Y166 WeakPolarHBondContact O-CD2 3.46Å; S162-Y166 WeakPolarHBondContact O-CE2 3.28Å; S162-S316 PolarHBondContact OG-OG 2.58Å; S162-S316 VanDerWaalsContact OG-OG 3.1Å; S162-R336 PolarHBondContact OG-NH2 3.41Å
163	I	91.3	Very high	90.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.1	-25.9	-175.6	65.2	157	0	0	0	113.4	V159 V160 G165 Y166 L169 F170 V173 L259 T260 L291	V159-I163 HydrophobicContact CG1-CG2 4.39Å; V159-I163 WeakPolarHBondContact O-CG1 3.4Å; V159-I163 PolarHBondContact O-N 3.43Å; V160-I163 WeakPolarHBondContact O-CG1 3.27Å; V160-I163 PolarHBondContact O-N 3.2Å; I163-G165 PolarHBondContact O-N 2.88Å; I163-Y166 CarbonylContact O-C 3.46Å; I163-Y166 WeakPolarHBondContact O-CA 3.48Å; I163-Y166 WeakPolarHBondContact O-CB 3.48Å; I163-Y166 PolarHBondContact O-N 3.42Å; I163-L169 HydrophobicContact CB-CB 4.23Å; I163-L169 HydrophobicContact CG2-CB 4.35Å; I163-L169 HydrophobicContact CG2-CD1 4.15Å; I163-F170 HydrophobicContact CD1-CD2 4.39Å; I163-F170 HydrophobicContact CG1-CD2 4.44Å; I163-F170 WeakPolarHBondContact O-CB 3.39Å; I163-V173 HydrophobicContact CD1-CB 4.43Å; I163-V173 HydrophobicContact CD1-CG2 3.93Å; I163-L259 HydrophobicContact CD1-CB 4.06Å; I163-L259 HydrophobicContact CD1-CD1 4.42Å; I163-L259 HydrophobicContact CD1-CD2 4.41Å; I163-T260 HydrophobicContact CG2-CG2 3.79Å; I163-L291 HydrophobicContact CG2-CD1 3.81Å
164	S	89.1	Confident	90.4	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-29.5	176.7	71.8	0	0	0	0	113.2	R143 V160 A161 S162 Y166	R143-S164 WeakPolarHBondContact CA-OG 3.47Å; R143-S164 PolarHBondContact N-OG 3.47Å; V160-S164 WeakPolarHBondContact O-CB 3.49Å; V160-S164 PolarHBondContact O-N 2.7Å; A161-S164 PolarHBondContact O-OG 3.07Å; S162-S164 VanDerWaalsContact C-N 3.34Å; S162-S164 PolarHBondContact O-N 3.25Å; S164-Y166 PolarHBondContact O-N 3.21Å
165	G	83.6	Confident	90.5	Very high	53 Å²	53	17.5 Å²	17.5	55%	0.546	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.4	173	0	0	0	0	0	114.5	S162 I163	S162-G165 PolarHBondContact O-N 2.69Å; I163-G165 PolarHBondContact O-N 2.88Å
166	Y	85.8	Confident	90.3	Very high	51 Å²	51	22.4 Å²	22.4	20%	0.2	13%	0.126	C	C	.	.			trans	-128.4	88.1	-173.8	-57.3	-77.4	0	0	0	110.8	S162 I163 S164 Q168 L169 F170 L291 F407 H408	S162-Y166 WeakPolarHBondContact O-CD2 3.46Å; S162-Y166 WeakPolarHBondContact O-CE2 3.28Å; I163-Y166 CarbonylContact O-C 3.46Å; I163-Y166 WeakPolarHBondContact O-CA 3.48Å; I163-Y166 WeakPolarHBondContact O-CB 3.48Å; I163-Y166 PolarHBondContact O-N 3.42Å; S164-Y166 PolarHBondContact O-N 3.21Å; Y166-Q168 PolarHBondContact O-N 2.84Å; Y166-L169 PolarHBondContact O-N 2.98Å; Y166-F170 WeakPolarHBondContact O-CB 3.4Å; Y166-F170 PolarHBondContact O-N 3.14Å; Y166-L291 HydrophobicContact CE2-CD2 4.26Å; Y166-F407 AromaticContact CD1-CD2 3.67Å; Y166-F407 HydrophobicContact CD1-CD2 3.67Å; Y166-F407 AromaticContact CD1-CE2 3.19Å; Y166-F407 HydrophobicContact CD1-CE2 3.19Å; Y166-F407 AromaticContact CD1-CZ 3.73Å; Y166-F407 HydrophobicContact CD1-CZ 3.73Å; Y166-F407 AromaticContact CD2-CE2 3.6Å; Y166-F407 HydrophobicContact CD2-CE2 3.6Å; Y166-F407 AromaticContact CD2-CZ 3.97Å; Y166-F407 HydrophobicContact CD2-CZ 3.97Å; Y166-F407 HydrophobicContact CE1-CD1 4.45Å; Y166-F407 AromaticContact CE1-CD2 3.89Å; Y166-F407 HydrophobicContact CE1-CD2 3.89Å; Y166-F407 AromaticContact CE1-CE1 3.85Å; Y166-F407 HydrophobicContact CE1-CE1 3.85Å; Y166-F407 AromaticContact CE1-CE2 3.21Å; Y166-F407 HydrophobicContact CE1-CE2 3.21Å; Y166-F407 HydrophobicContact CE1-CG 4.47Å; Y166-F407 AromaticContact CE1-CZ 3.18Å; Y166-F407 HydrophobicContact CE1-CZ 3.18Å; Y166-F407 AromaticContact CE2-CE2 3.68Å; Y166-F407 HydrophobicContact CE2-CE2 3.68Å; Y166-F407 AromaticContact CE2-CZ 3.53Å; Y166-F407 HydrophobicContact CE2-CZ 3.53Å; Y166-F407 HydrophobicContact CG-CD2 4.09Å; Y166-F407 AromaticContact CG-CE2 3.37Å; Y166-F407 HydrophobicContact CG-CE2 3.37Å; Y166-F407 HydrophobicContact CG-CZ 4.08Å; Y166-F407 AromaticContact CZ-CE1 3.94Å; Y166-F407 AromaticContact CZ-CE2 3.5Å; Y166-F407 VanDerWaalsContact CZ-CE2 3.5Å; Y166-F407 AromaticContact CZ-CZ 3.1Å; Y166-F407 WeakPolarHBondContact OH-CZ 3.3Å; Y166-H408 AromaticContact CE1-CD2 3.44Å; Y166-H408 VanDerWaalsContact CE1-CD2 3.44Å; Y166-H408 WeakPolarHBondContact CE1-CD2 3.45Å; Y166-H408 AromaticContact CE1-CE1 3.89Å; Y166-H408 AromaticContact CE1-NE2 3.19Å; Y166-H408 WeakPolarHBondContact CE1-NE2 3.37Å; Y166-H408 AromaticContact CZ-NE2 3.73Å; Y166-H408 PolarHBondContact OH-NE2 3.01Å
167	P	87.8	Confident	89.8	Confident	71 Å²	71	29.7 Å²	29.7	46%	0.461	17%	0.165	S	C	.	.	H	α-helix	trans	-50.7	-35.6	-177.3	-30	36.2	0	0	0	114	L169 F170 D171	P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 2.84Å; P167-F170 PolarHBondContact O-N 2.62Å; P167-D171 WeakPolarHBondContact O-CB 3.46Å; P167-D171 PolarHBondContact O-N 3.09Å
168	Q	87.8	Confident	89.8	Confident	72 Å²	72	30.5 Å²	30.5	34%	0.336	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-34.8	179.6	-62	85.6	-14	0	0	113.8	Y166 Q172 L401 Q405	Y166-Q168 PolarHBondContact O-N 2.84Å; Q168-Q172 WeakPolarHBondContact O-CG 3.4Å; Q168-Q172 PolarHBondContact O-NE2 3.12Å; Q168-Q172 VanDerWaalsContact O-NE2 3.12Å; Q168-L401 HydrophobicContact CB-CD2 3.65Å; Q168-Q405 HydrophobicContact CG-CB 4.32Å; Q168-Q405 HydrophobicContact CG-CG 4.12Å
169	L	91.4	Very high	89.7	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-84.1	-46.7	174.6	-64.4	176.5	0	0	0	110	I163 Y166 P167 D171 Q172 V173 T260 L396 S400 L401 F407	I163-L169 HydrophobicContact CB-CB 4.23Å; I163-L169 HydrophobicContact CG2-CB 4.35Å; I163-L169 HydrophobicContact CG2-CD1 4.15Å; Y166-L169 PolarHBondContact O-N 2.98Å; P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 2.84Å; L169-D171 PolarHBondContact O-N 2.73Å; L169-Q172 WeakPolarHBondContact O-CB 3.39Å; L169-Q172 PolarHBondContact O-N 3.34Å; L169-V173 PolarHBondContact O-N 3Å; L169-T260 HydrophobicContact CD1-CG2 4.34Å; L169-L396 HydrophobicContact CD1-CD1 3.88Å; L169-L396 HydrophobicContact CD2-CD1 4.26Å; L169-L396 HydrophobicContact CD2-CD2 4.47Å; L169-S400 VanDerWaalsContact CD2-O 3.32Å; L169-S400 WeakPolarHBondContact CD2-O 3.45Å; L169-L401 HydrophobicContact CD2-CD2 3.67Å; L169-L401 HydrophobicContact CD2-CG 4.1Å; L169-L401 HydrophobicContact CG-CD2 4.15Å; L169-F407 HydrophobicContact CD1-CD2 4.11Å; L169-F407 HydrophobicContact CD1-CE2 3.82Å
170	F	92.8	Very high	89.8	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-44.6	-176.9	-173.2	-100.1	0	0	0	112.9	F137 A141 I163 Y166 P167 Q172 V173 V174 W229	F137-F170 AromaticContact CE1-CE1 3.82Å; F137-F170 HydrophobicContact CE1-CE1 3.82Å; F137-F170 AromaticContact CE1-CZ 3.95Å; F137-F170 HydrophobicContact CE1-CZ 3.95Å; F137-F170 AromaticContact CZ-CE1 3.68Å; F137-F170 HydrophobicContact CZ-CE1 3.68Å; F137-F170 HydrophobicContact CZ-CZ 4.13Å; A141-F170 HydrophobicContact CB-CD1 3.85Å; A141-F170 HydrophobicContact CB-CE1 3.23Å; A141-F170 HydrophobicContact CB-CE2 4Å; A141-F170 HydrophobicContact CB-CG 4.44Å; A141-F170 HydrophobicContact CB-CZ 3.31Å; I163-F170 HydrophobicContact CD1-CD2 4.39Å; I163-F170 HydrophobicContact CG1-CD2 4.44Å; I163-F170 WeakPolarHBondContact O-CB 3.39Å; Y166-F170 WeakPolarHBondContact O-CB 3.4Å; Y166-F170 PolarHBondContact O-N 3.14Å; P167-F170 PolarHBondContact O-N 2.62Å; F170-Q172 PolarHBondContact O-N 3.3Å; F170-V173 PolarHBondContact O-N 2.97Å; F170-V174 HydrophobicContact CD1-CB 4.21Å; F170-V174 HydrophobicContact CD2-CG2 4.22Å; F170-V174 HydrophobicContact CE1-CB 3.68Å; F170-V174 HydrophobicContact CE1-CG1 4.06Å; F170-V174 HydrophobicContact CE1-CG2 3.95Å; F170-V174 HydrophobicContact CE2-CB 4.31Å; F170-V174 HydrophobicContact CE2-CG2 3.64Å; F170-V174 HydrophobicContact CZ-CB 3.74Å; F170-V174 HydrophobicContact CZ-CG1 4.07Å; F170-V174 HydrophobicContact CZ-CG2 3.49Å; F170-V174 VanDerWaalsContact CZ-CG2 3.49Å; F170-V174 PolarHBondContact O-N 2.92Å; F170-W229 AromaticContact CE2-CE3 3.94Å; F170-W229 HydrophobicContact CE2-CE3 3.94Å; F170-W229 AromaticContact CE2-CH2 3.68Å; F170-W229 HydrophobicContact CE2-CH2 3.68Å; F170-W229 HydrophobicContact CE2-CZ2 4.38Å; F170-W229 AromaticContact CE2-CZ3 3.44Å; F170-W229 HydrophobicContact CE2-CZ3 3.44Å; F170-W229 VanDerWaalsContact CE2-CZ3 3.44Å; F170-W229 HydrophobicContact CZ-CD2 4.06Å; F170-W229 AromaticContact CZ-CE3 3.69Å; F170-W229 HydrophobicContact CZ-CE3 3.69Å; F170-W229 HydrophobicContact CZ-CH2 4.02Å; F170-W229 HydrophobicContact CZ-CZ2 4.35Å; F170-W229 AromaticContact CZ-CZ3 3.69Å; F170-W229 HydrophobicContact CZ-CZ3 3.69Å
171	D	91.5	Very high	89.6	Confident	48 Å²	48	40.1 Å²	40.1	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-65.8	-20.9	-179	-67.1	-25	0	0	0	112.6	P167 L169 K176	P167-D171 WeakPolarHBondContact O-CB 3.46Å; P167-D171 PolarHBondContact O-N 3.09Å; L169-D171 PolarHBondContact O-N 2.73Å; D171-K176 WeakPolarHBondContact OD1-CE 3.48Å; D171-K176 IonicContact OD1-NZ 2.59Å; D171-K176 WeakPolarHBondContact OD2-CE 3.35Å; D171-K176 IonicContact OD2-NZ 2.76Å; D171-K176 PolarHBondContact OD2-NZ 2.69Å
172	Q	89.3	Confident	89.7	Confident	29 Å²	29	42.2 Å²	42.2	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-40.9	173	-68.5	-177.7	37.3	0	0	111	Q168 L169 F170 R192 W199 S400	Q168-Q172 WeakPolarHBondContact O-CG 3.4Å; Q168-Q172 PolarHBondContact O-NE2 3.12Å; Q168-Q172 VanDerWaalsContact O-NE2 3.12Å; L169-Q172 WeakPolarHBondContact O-CB 3.39Å; L169-Q172 PolarHBondContact O-N 3.34Å; F170-Q172 PolarHBondContact O-N 3.3Å; Q172-R192 WeakPolarHBondContact O-CB 3.39Å; Q172-R192 WeakPolarHBondContact O-CD 3.47Å; Q172-W199 HydrophobicContact CB-CH2 3.92Å; Q172-W199 HydrophobicContact CB-CZ2 4.16Å; Q172-W199 HydrophobicContact CB-CZ3 4.31Å; Q172-S400 PolarHBondContact NE2-O 3.15Å; Q172-S400 PolarHBondContact OE1-O 3.35Å
173	V	95.3	Very high	89.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-77.3	-42.2	178.2	178.1	0	0	0	0	111.7	I163 L169 F170 P175 F191 R192 F193 W199 L233 L259	I163-V173 HydrophobicContact CD1-CB 4.43Å; I163-V173 HydrophobicContact CD1-CG2 3.93Å; L169-V173 PolarHBondContact O-N 3Å; F170-V173 PolarHBondContact O-N 2.97Å; V173-P175 WeakPolarHBondContact O-CD 3.42Å; V173-F191 CarbonylContact O-C 3.53Å; V173-F191 WeakPolarHBondContact O-CA 3.41Å; V173-R192 WeakPolarHBondContact CA-O 3.4Å; V173-R192 WeakPolarHBondContact CG1-O 3.44Å; V173-R192 PolarHBondContact O-N 3.44Å; V173-F193 HydrophobicContact CG1-CD1 4.43Å; V173-F193 HydrophobicContact CG1-CE1 4.08Å; V173-W199 HydrophobicContact CG2-CH2 4.19Å; V173-W199 HydrophobicContact CG2-CZ3 4.01Å; V173-L233 HydrophobicContact CG1-CD1 3.96Å; V173-L259 HydrophobicContact CG1-CD2 3.77Å; V173-L259 HydrophobicContact CG2-CB 4.32Å; V173-L259 HydrophobicContact CG2-CD2 4.05Å; V173-L259 WeakPolarHBondContact CG2-O 3.24Å
174	V	95	Very high	89.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	29%	0.292	C	S	.	.	S	Bend	trans	-118.8	92.1	-172.6	-169.4	0	0	0	0	109.2	F136 F137 F170 K176 F191 L233	F136-V174 HydrophobicContact CE1-CG1 3.56Å; F136-V174 HydrophobicContact CZ-CG1 3.75Å; F137-V174 HydrophobicContact CZ-CG1 3.78Å; F170-V174 HydrophobicContact CD1-CB 4.21Å; F170-V174 HydrophobicContact CD2-CG2 4.22Å; F170-V174 HydrophobicContact CE1-CB 3.68Å; F170-V174 HydrophobicContact CE1-CG1 4.06Å; F170-V174 HydrophobicContact CE1-CG2 3.95Å; F170-V174 HydrophobicContact CE2-CB 4.31Å; F170-V174 HydrophobicContact CE2-CG2 3.64Å; F170-V174 HydrophobicContact CZ-CB 3.74Å; F170-V174 HydrophobicContact CZ-CG1 4.07Å; F170-V174 HydrophobicContact CZ-CG2 3.49Å; F170-V174 VanDerWaalsContact CZ-CG2 3.49Å; F170-V174 PolarHBondContact O-N 2.92Å; V174-K176 PolarHBondContact O-N 3.03Å; V174-F191 HydrophobicContact CB-CE1 4.46Å; V174-F191 HydrophobicContact CG1-CD1 4.41Å; V174-F191 HydrophobicContact CG1-CE1 3.96Å; V174-F191 HydrophobicContact CG2-CD1 3.99Å; V174-F191 HydrophobicContact CG2-CE1 3.96Å; V174-L233 HydrophobicContact CG2-CD1 3.71Å
175	P	90.6	Very high	89.6	Confident	5 Å²	5	54 Å²	54	3%	0.032	30%	0.297	C	S	.	.			trans	-54.7	140.5	174.6	-27.6	36.6	0	0	0	111.8	V173 Q178 R190	V173-P175 WeakPolarHBondContact O-CD 3.42Å; P175-Q178 WeakPolarHBondContact O-CG 3.35Å; P175-Q178 PolarHBondContact O-NE2 2.95Å; P175-R190 HydrophobicContact CB-CG 4.17Å; P175-R190 VanDerWaalsContact CB-NE 3.27Å; P175-R190 WeakPolarHBondContact CD-O 3.3Å; P175-R190 HydrophobicContact CG-CG 3.99Å
176	K	85.9	Confident	90.2	Very high	111 Å²	111	51.9 Å²	51.9	48%	0.483	27%	0.273	S	S	.	.	S	Bend	trans	-66.6	166.9	176.1	-62.4	-176.2	-177	171.5	0	112.4	D171 V174	D171-K176 WeakPolarHBondContact OD1-CE 3.48Å; D171-K176 IonicContact OD1-NZ 2.59Å; D171-K176 WeakPolarHBondContact OD2-CE 3.35Å; D171-K176 IonicContact OD2-NZ 2.76Å; D171-K176 PolarHBondContact OD2-NZ 2.69Å; V174-K176 PolarHBondContact O-N 3.03Å
177	D	83.2	Confident	90.7	Very high	154 Å²	154	49.4 Å²	49.4	82%	0.824	26%	0.264	S	S	*	.			trans	60.9	47.9	169	-49.2	-43.5	0	0	0	113.8
178	Q	91.2	Very high	91.1	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.079	25%	0.245	C	C	.	.			trans	-97.5	119.8	172.7	-57.2	-164.6	73.1	0	0	109.7	F136 P175 R190	F136-Q178 HydrophobicContact CB-CB 4.48Å; F136-Q178 WeakPolarHBondContact CB-O 3.43Å; F136-Q178 HydrophobicContact CD1-CB 4.07Å; F136-Q178 HydrophobicContact CD2-CB 3.9Å; F136-Q178 HydrophobicContact CE1-CB 4.25Å; F136-Q178 HydrophobicContact CE2-CB 4.11Å; F136-Q178 HydrophobicContact CG-CB 3.88Å; F136-Q178 HydrophobicContact CZ-CB 4.27Å; F136-Q178 HydrophobicContact CZ-CG 4.48Å; P175-Q178 WeakPolarHBondContact O-CG 3.35Å; P175-Q178 PolarHBondContact O-NE2 2.95Å; Q178-R190 PolarHBondContact NE2-O 3.06Å; Q178-R190 PolarHBondContact OE1-O 3.11Å
179	E	88.4	Confident	91.5	Very high	114 Å²	114	43.2 Å²	43.2	53%	0.533	23%	0.229	S	C	.	.			trans	-98.6	136.9	179.6	-64.9	-174.6	169.1	0	0	111	Y185	E179-Y185 WeakPolarHBondContact O-CD2 3.46Å
180	L	94.3	Very high	91.6	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.238	C	C	.	.	S	Bend	trans	-103.6	5.9	176.4	-60.8	-178.6	0	0	0	113.4	P127 K135 F136 Y185 V189 D206 F228 L232	P127-L180 HydrophobicContact CB-CB 4.46Å; P127-L180 HydrophobicContact CB-CD1 3.89Å; P127-L180 HydrophobicContact CG-CD1 3.9Å; P127-L180 HydrophobicContact CG-CD2 4.32Å; K135-L180 VanDerWaalsContact C-CD1 3.49Å; K135-L180 WeakPolarHBondContact O-CD1 3.43Å; F136-L180 HydrophobicContact CB-CD1 4.2Å; F136-L180 HydrophobicContact CB-CG 4.11Å; F136-L180 HydrophobicContact CD2-CD1 4.33Å; F136-L180 HydrophobicContact CD2-CD2 4.15Å; F136-L180 HydrophobicContact CD2-CG 4.28Å; L180-Y185 VanDerWaalsContact C-CD2 3.43Å; L180-V189 HydrophobicContact CD2-CG2 4.05Å; L180-D206 HydrophobicContact CD2-CB 4.38Å; L180-F228 HydrophobicContact CD1-CB 3.83Å; L180-F228 HydrophobicContact CD1-CD2 4.47Å; L180-F228 HydrophobicContact CD1-CG 4.43Å; L180-L232 HydrophobicContact CD1-CD1 4.1Å; L180-L232 HydrophobicContact CD2-CD1 3.89Å
181	K	90.8	Very high	91.8	Very high	84 Å²	84	45.2 Å²	45.2	37%	0.365	24%	0.236	S	C	.	.	S	Bend	trans	-165.7	166.4	177.9	65.4	-169.8	-179.1	-157.2	0	110.2	N133 A134	N133-K181 PolarHBondContact O-NZ 2.69Å; A134-K181 WeakPolarHBondContact O-CE 3.4Å; A134-K181 PolarHBondContact O-NZ 3.25Å
182	G	89.4	Confident	91.9	Very high	47 Å²	47	44.9 Å²	44.9	49%	0.485	23%	0.232	S	C	.	.	S	Bend	trans	110.9	-175.6	176	0	0	0	0	0	113.1	E184 Y185	G182-E184 VanDerWaalsContact C-N 3.31Å; G182-E184 PolarHBondContact O-N 2.79Å; G182-Y185 WeakPolarHBondContact O-CB 3.13Å; G182-Y185 PolarHBondContact O-N 3.42Å
183	P	86.1	Confident	92.1	Very high	121 Å²	121	43.5 Å²	43.5	79%	0.786	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-27.2	-176.3	27.4	-33.6	0	0	0	113.4
184	E	86.6	Confident	91.9	Very high	110 Å²	110	43.5 Å²	43.5	51%	0.514	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8	-179	-58.7	-57.6	118.1	0	0	113.1	K94 G182	K94-E184 WeakPolarHBondContact CE-O 3.42Å; K94-E184 WeakPolarHBondContact CE-OE2 3.17Å; K94-E184 IonicContact NZ-OE2 2.79Å; K94-E184 PolarHBondContact NZ-OE2 3.31Å; G182-E184 VanDerWaalsContact C-N 3.31Å; G182-E184 PolarHBondContact O-N 2.79Å
185	Y	94.2	Very high	91.4	Very high	33 Å²	33	45 Å²	45	13%	0.129	23%	0.231	C	C	.	.			trans	-70.6	130.2	-177.5	169.1	-105.6	0	0	0	112.4	L99 R126 E179 L180 G182 G187 D206	L99-Y185 HydrophobicContact CD1-CE1 3.96Å; L99-Y185 HydrophobicContact CD2-CD1 3.72Å; L99-Y185 HydrophobicContact CD2-CE1 3.36Å; L99-Y185 HydrophobicContact CG-CE1 4.32Å; R126-Y185 WeakPolarHBondContact CD-OH 3.48Å; E179-Y185 WeakPolarHBondContact O-CD2 3.46Å; L180-Y185 VanDerWaalsContact C-CD2 3.43Å; G182-Y185 WeakPolarHBondContact O-CB 3.13Å; G182-Y185 PolarHBondContact O-N 3.42Å; Y185-G187 VanDerWaalsContact CE2-CA 3.47Å; Y185-G187 VanDerWaalsContact CE2-N 3.34Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.06Å; Y185-D206 VanDerWaalsContact CZ-OD2 3.23Å; Y185-D206 VanDerWaalsContact OH-CG 3.23Å; Y185-D206 PolarHBondContact OH-OD1 3.18Å; Y185-D206 PolarHBondContact OH-OD2 3.29Å
186	V	96.1	Very high	90.9	Very high	9 Å²	9	46 Å²	46	6%	0.055	24%	0.235	C	C	.	.			trans	-132	12.1	178.5	-66.1	0	0	0	0	113.1	V90 L93 K94 W100 V188	V90-V186 HydrophobicContact CB-CG2 4.44Å; V90-V186 HydrophobicContact CG1-CG2 4.2Å; V90-V186 HydrophobicContact CG2-CG2 4.04Å; L93-V186 HydrophobicContact CB-CB 3.93Å; L93-V186 HydrophobicContact CB-CG1 3.87Å; L93-V186 HydrophobicContact CD1-CB 4.07Å; L93-V186 HydrophobicContact CD1-CG2 4.1Å; K94-V186 HydrophobicContact CG-CG1 3.6Å; W100-V186 PolarHBondContact N-O 2.84Å; V186-V188 VanDerWaalsContact C-N 3.29Å; V186-V188 HydrophobicContact CG2-CB 4.32Å; V186-V188 HydrophobicContact CG2-CG2 3.97Å; V186-V188 PolarHBondContact O-N 3.12Å
187	G	96.5	Very high	90.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	69.5	18.2	178.1	0	0	0	0	0	115.6	Y185 D205 D206	Y185-G187 VanDerWaalsContact CE2-CA 3.47Å; Y185-G187 VanDerWaalsContact CE2-N 3.34Å; G187-D205 VanDerWaalsContact O-CA 3.26Å; G187-D205 WeakPolarHBondContact O-CA 3.47Å; G187-D206 PolarHBondContact O-N 2.75Å
188	V	96.2	Very high	90.7	Very high	10 Å²	10	37.2 Å²	37.2	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.7	175.7	-173	0	0	0	0	109.6	Y86 L89 L93 W100 V186 L203	Y86-V188 HydrophobicContact CD2-CG1 4.19Å; Y86-V188 HydrophobicContact CE2-CB 4.34Å; Y86-V188 HydrophobicContact CE2-CG1 3.89Å; L89-V188 HydrophobicContact CD2-CG1 4.3Å; L89-V188 HydrophobicContact CD2-CG2 4.22Å; L93-V188 HydrophobicContact CD1-CG2 3.58Å; W100-V188 HydrophobicContact CB-CG2 3.28Å; W100-V188 HydrophobicContact CD2-CG2 3.77Å; W100-V188 HydrophobicContact CE3-CB 4.19Å; W100-V188 HydrophobicContact CE3-CG1 3.89Å; W100-V188 HydrophobicContact CE3-CG2 3.74Å; W100-V188 HydrophobicContact CG-CG2 3.61Å; W100-V188 HydrophobicContact CZ3-CG1 4.18Å; V186-V188 VanDerWaalsContact C-N 3.29Å; V186-V188 HydrophobicContact CG2-CB 4.32Å; V186-V188 HydrophobicContact CG2-CG2 3.97Å; V186-V188 PolarHBondContact O-N 3.12Å; V188-L203 HydrophobicContact CG1-CB 4.37Å; V188-L203 HydrophobicContact CG1-CD2 4.47Å
189	V	96.4	Very high	90.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.3	175.8	-174.3	0	0	0	0	108.6	F136 L180 F191 L203 I204 D206 L232	F136-V189 HydrophobicContact CD2-CG1 4.42Å; F136-V189 HydrophobicContact CE2-CG1 3.57Å; F136-V189 HydrophobicContact CZ-CG1 4.28Å; L180-V189 HydrophobicContact CD2-CG2 4.05Å; V189-F191 HydrophobicContact CB-CE2 4.37Å; V189-F191 HydrophobicContact CG1-CD2 4.18Å; V189-F191 HydrophobicContact CG1-CE2 3.39Å; V189-F191 HydrophobicContact CG1-CZ 3.9Å; V189-L203 WeakPolarHBondContact O-CA 3.33Å; V189-I204 HydrophobicContact CB-CG1 4.01Å; V189-I204 PolarHBondContact N-O 3.17Å; V189-I204 PolarHBondContact O-N 3Å; V189-D206 HydrophobicContact CG2-CB 3.81Å; V189-L232 HydrophobicContact CG1-CB 4.47Å; V189-L232 HydrophobicContact CG1-CD1 4.33Å; V189-L232 HydrophobicContact CG2-CD1 4.21Å; V189-L232 HydrophobicContact CG2-CD2 4.38Å
190	R	94.6	Very high	90.4	Very high	50 Å²	50	33.4 Å²	33.4	19%	0.189	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.9	-176.5	59.9	176	-172.7	175.8	2.6	111.7	P175 Q178 V202 L203	P175-R190 HydrophobicContact CB-CG 4.17Å; P175-R190 VanDerWaalsContact CB-NE 3.27Å; P175-R190 WeakPolarHBondContact CD-O 3.3Å; P175-R190 HydrophobicContact CG-CG 3.99Å; Q178-R190 PolarHBondContact NE2-O 3.06Å; Q178-R190 PolarHBondContact OE1-O 3.11Å; R190-V202 WeakPolarHBondContact CA-O 3.45Å; R190-L203 HydrophobicContact CB-CD2 3.58Å
191	F	96.4	Very high	90.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166.7	172.2	-66.8	-87.2	0	0	0	109.3	F136 V173 V174 V189 F193 E201 V202 I204 L232 L233 A236	F136-F191 HydrophobicContact CE2-CZ 4.1Å; F136-F191 HydrophobicContact CZ-CE1 4.15Å; F136-F191 AromaticContact CZ-CZ 3.87Å; F136-F191 HydrophobicContact CZ-CZ 3.87Å; V173-F191 CarbonylContact O-C 3.53Å; V173-F191 WeakPolarHBondContact O-CA 3.41Å; V174-F191 HydrophobicContact CB-CE1 4.46Å; V174-F191 HydrophobicContact CG1-CD1 4.41Å; V174-F191 HydrophobicContact CG1-CE1 3.96Å; V174-F191 HydrophobicContact CG2-CD1 3.99Å; V174-F191 HydrophobicContact CG2-CE1 3.96Å; V189-F191 HydrophobicContact CB-CE2 4.37Å; V189-F191 HydrophobicContact CG1-CD2 4.18Å; V189-F191 HydrophobicContact CG1-CE2 3.39Å; V189-F191 HydrophobicContact CG1-CZ 3.9Å; F191-F193 HydrophobicContact CB-CE2 3.82Å; F191-F193 HydrophobicContact CB-CZ 4.02Å; F191-E201 CarbonylContact O-C 3.59Å; F191-E201 WeakPolarHBondContact O-CA 3.44Å; F191-V202 PolarHBondContact N-O 3.38Å; F191-V202 PolarHBondContact O-N 2.93Å; F191-I204 HydrophobicContact CD2-CD1 4.39Å; F191-I204 HydrophobicContact CE2-CD1 4Å; F191-I204 HydrophobicContact CE2-CG1 4.44Å; F191-L232 HydrophobicContact CE2-CB 3.86Å; F191-L232 VanDerWaalsContact CE2-O 3.32Å; F191-L232 WeakPolarHBondContact CE2-O 3.42Å; F191-L232 VanDerWaalsContact CZ-C 3.45Å; F191-L232 HydrophobicContact CZ-CB 3.69Å; F191-L233 HydrophobicContact CD1-CB 4.07Å; F191-L233 HydrophobicContact CD1-CD1 4.42Å; F191-L233 HydrophobicContact CD1-CG 4.15Å; F191-L233 HydrophobicContact CE1-CB 3.57Å; F191-L233 HydrophobicContact CE1-CD1 4.36Å; F191-L233 HydrophobicContact CE1-CG 4.12Å; F191-L233 HydrophobicContact CZ-CB 4.03Å; F191-L233 VanDerWaalsContact CZ-N 3.29Å; F191-A236 HydrophobicContact CB-CB 3.82Å; F191-A236 HydrophobicContact CD2-CB 3.31Å; F191-A236 HydrophobicContact CE2-CB 4.05Å; F191-A236 HydrophobicContact CG-CB 3.72Å
192	R	93.7	Very high	90.4	Very high	42 Å²	42	31.3 Å²	31.3	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.6	177.1	-62.4	155.2	-173.6	-179.5	-6.2	109.7	M79 Q172 V173 W199 V200 E201	M79-R192 HydrophobicContact CE-CG 4.24Å; M79-R192 VanDerWaalsContact CE-NH2 3.3Å; Q172-R192 WeakPolarHBondContact O-CB 3.39Å; Q172-R192 WeakPolarHBondContact O-CD 3.47Å; V173-R192 WeakPolarHBondContact CA-O 3.4Å; V173-R192 WeakPolarHBondContact CG1-O 3.44Å; V173-R192 PolarHBondContact O-N 3.44Å; R192-W199 HydrophobicContact CB-CE3 4.02Å; R192-V200 VanDerWaalsContact CA-O 3.25Å; R192-V200 WeakPolarHBondContact CA-O 3.28Å; R192-E201 HydrophobicContact CG-CB 4.34Å; R192-E201 HydrophobicContact CG-CG 4.33Å; R192-E201 IonicContact CZ-OE2 2.79Å; R192-E201 IonicContact NE-OE2 2.72Å; R192-E201 PolarHBondContact NE-OE2 3Å; R192-E201 VanDerWaalsContact NE-OE2 3.15Å; R192-E201 IonicContact NH2-OE2 2.79Å; R192-E201 PolarHBondContact NH2-OE2 3.09Å
193	F	93.7	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.2	177	-56.5	-79.7	0	0	0	108.7	V173 F191 V200 V202 A236 Y237 L240 D258 L259	V173-F193 HydrophobicContact CG1-CD1 4.43Å; V173-F193 HydrophobicContact CG1-CE1 4.08Å; F191-F193 HydrophobicContact CB-CE2 3.82Å; F191-F193 HydrophobicContact CB-CZ 4.02Å; F193-V200 PolarHBondContact N-O 3.36Å; F193-V200 PolarHBondContact O-N 3.42Å; F193-V202 HydrophobicContact CD2-CB 4.33Å; F193-V202 HydrophobicContact CD2-CG2 3.75Å; F193-V202 HydrophobicContact CE2-CB 4.24Å; F193-V202 HydrophobicContact CE2-CG2 4.12Å; F193-A236 HydrophobicContact CE2-CB 3.92Å; F193-A236 HydrophobicContact CZ-CB 4.12Å; F193-Y237 AromaticContact CD1-CD2 3.56Å; F193-Y237 HydrophobicContact CD1-CD2 3.56Å; F193-Y237 HydrophobicContact CD1-CE2 4.02Å; F193-Y237 HydrophobicContact CD2-CD2 4.48Å; F193-Y237 AromaticContact CE1-CD2 3.45Å; F193-Y237 HydrophobicContact CE1-CD2 3.45Å; F193-Y237 VanDerWaalsContact CE1-CD2 3.45Å; F193-Y237 HydrophobicContact CE1-CE2 4.3Å; F193-Y237 HydrophobicContact CE1-CG 4.2Å; F193-Y237 HydrophobicContact CE2-CD2 4.38Å; F193-Y237 HydrophobicContact CG-CD2 4.1Å; F193-Y237 AromaticContact CZ-CD2 3.88Å; F193-Y237 HydrophobicContact CZ-CD2 3.88Å; F193-Y237 HydrophobicContact CZ-CG 4.37Å; F193-L240 HydrophobicContact CB-CD2 3.57Å; F193-L240 HydrophobicContact CD2-CD2 3.73Å; F193-L240 HydrophobicContact CG-CD2 3.69Å; F193-D258 CarbonylContact C-O 3.52Å; F193-D258 WeakPolarHBondContact CA-O 3.28Å; F193-L259 HydrophobicContact CD1-CD2 3.79Å; F193-L259 HydrophobicContact CE1-CD2 3.73Å
194	W	90.7	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.5	174.4	-172.7	95.4	0	0	0	109.6	W199 D258 G261 E399 M467 I546 R548	W194-W199 HydrophobicContact CB-CD2 4.15Å; W194-W199 HydrophobicContact CB-CE3 4.23Å; W194-W199 HydrophobicContact CB-CH2 4.41Å; W194-W199 HydrophobicContact CB-CZ2 4.32Å; W194-W199 HydrophobicContact CB-CZ3 4.36Å; W194-W199 AromaticContact CD1-CD1 3.99Å; W194-W199 AromaticContact CD1-NE1 3.82Å; W194-D258 PolarHBondContact N-O 2.93Å; W194-D258 WeakPolarHBondContact O-CA 3.3Å; W194-G261 VanDerWaalsContact CG-CA 3.41Å; W194-E399 PolarHBondContact NE1-OE2 2.74Å; W194-M467 HydrophobicContact CH2-CE 4.48Å; W194-M467 HydrophobicContact CZ3-CE 4.1Å; W194-M467 HydrophobicContact CZ3-SD 4.39Å; W194-I546 HydrophobicContact CH2-CD1 3.63Å; W194-I546 HydrophobicContact CZ2-CD1 4.27Å; W194-R548 VanDerWaalsContact CH2-NH1 3.34Å
195	R	84.6	Confident	91.8	Very high	32 Å²	32	19.6 Å²	19.6	12%	0.121	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	119.1	176.5	-62.9	-60	-66.6	-169.9	-5.7	109.5	G197 H198 V200 L240 D258	R195-G197 VanDerWaalsContact C-N 3.33Å; R195-G197 PolarHBondContact O-N 3.28Å; R195-H198 CarbonylContact C-O 3.6Å; R195-H198 PolarHBondContact N-O 3.42Å; R195-H198 PolarHBondContact O-CE1 3.01Å; R195-H198 VanDerWaalsContact O-CE1 3.24Å; R195-H198 PolarHBondContact O-N 3.49Å; R195-H198 VanDerWaalsContact O-N 3.12Å; R195-H198 PolarHBondContact O-ND1 3.02Å; R195-H198 VanDerWaalsContact O-ND1 3.11Å; R195-V200 HydrophobicContact CB-CG2 3.89Å; R195-V200 HydrophobicContact CG-CG2 4.03Å; R195-L240 HydrophobicContact CG-CD1 4.38Å; R195-L240 HydrophobicContact CG-CD2 4.46Å; R195-D258 IonicContact CZ-OD1 3.29Å; R195-D258 VanDerWaalsContact NH1-CG 3.29Å; R195-D258 IonicContact NH1-OD1 3.39Å; R195-D258 PolarHBondContact NH1-OD1 3.18Å; R195-D258 IonicContact NH1-OD2 3.96Å; R195-D258 PolarHBondContact NH1-OD2 3.1Å
196	F	80.7	Confident	91.9	Very high	27 Å²	27	18 Å²	18	12%	0.118	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	50.3	165.6	-50.3	-62.7	0	0	0	113.3	H198 M467 Q468 T469	F196-H198 PolarHBondContact O-ND1 3.36Å; F196-M467 HydrophobicContact CD1-CG 4.11Å; F196-M467 HydrophobicContact CD1-SD 3.38Å; F196-M467 WeakPolarHBondContact CD1-SD 3.44Å; F196-M467 HydrophobicContact CE1-CG 4.14Å; F196-M467 HydrophobicContact CE1-SD 3.61Å; F196-Q468 WeakPolarHBondContact CE1-O 3.26Å; F196-T469 HydrophobicContact CB-CG2 3.76Å; F196-T469 HydrophobicContact CD1-CG2 3.67Å; F196-T469 HydrophobicContact CE1-CG2 4.47Å; F196-T469 HydrophobicContact CG-CG2 3.83Å
197	G	82.4	Confident	92	Very high	18 Å²	18	19.2 Å²	19.2	19%	0.186	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	13.4	176.6	0	0	0	0	0	115.5	R195	R195-G197 VanDerWaalsContact C-N 3.33Å; R195-G197 PolarHBondContact O-N 3.28Å
198	H	82.5	Confident	92.1	Very high	61 Å²	61	19.2 Å²	19.2	28%	0.282	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.4	173	55.4	-77.6	0	0	0	112.8	R195 F196	R195-H198 CarbonylContact C-O 3.6Å; R195-H198 PolarHBondContact N-O 3.42Å; R195-H198 PolarHBondContact O-CE1 3.01Å; R195-H198 VanDerWaalsContact O-CE1 3.24Å; R195-H198 PolarHBondContact O-N 3.49Å; R195-H198 VanDerWaalsContact O-N 3.12Å; R195-H198 PolarHBondContact O-ND1 3.02Å; R195-H198 VanDerWaalsContact O-ND1 3.11Å; F196-H198 PolarHBondContact O-ND1 3.36Å
199	W	86.6	Confident	92.2	Very high	8 Å²	8	18.9 Å²	18.9	3%	0.03	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.2	171.3	-69.1	88.7	0	0	0	112	F75 M79 Q172 V173 R192 W194 E399	F75-W199 HydrophobicContact CD2-CB 3.78Å; F75-W199 AromaticContact CD2-CD1 3.63Å; F75-W199 AromaticContact CD2-CG 3.99Å; F75-W199 HydrophobicContact CD2-CG 3.99Å; F75-W199 HydrophobicContact CE2-CB 3.44Å; F75-W199 VanDerWaalsContact CE2-CB 3.44Å; F75-W199 AromaticContact CE2-CD1 3.32Å; F75-W199 AromaticContact CE2-CG 3.47Å; F75-W199 HydrophobicContact CE2-CG 3.47Å; F75-W199 VanDerWaalsContact CE2-CG 3.47Å; F75-W199 AromaticContact CZ-CD1 3.99Å; F75-W199 HydrophobicContact CZ-CG 4.32Å; M79-W199 HydrophobicContact SD-CB 4.44Å; Q172-W199 HydrophobicContact CB-CH2 3.92Å; Q172-W199 HydrophobicContact CB-CZ2 4.16Å; Q172-W199 HydrophobicContact CB-CZ3 4.31Å; V173-W199 HydrophobicContact CG2-CH2 4.19Å; V173-W199 HydrophobicContact CG2-CZ3 4.01Å; R192-W199 HydrophobicContact CB-CE3 4.02Å; W194-W199 HydrophobicContact CB-CD2 4.15Å; W194-W199 HydrophobicContact CB-CE3 4.23Å; W194-W199 HydrophobicContact CB-CH2 4.41Å; W194-W199 HydrophobicContact CB-CZ2 4.32Å; W194-W199 HydrophobicContact CB-CZ3 4.36Å; W194-W199 AromaticContact CD1-CD1 3.99Å; W194-W199 AromaticContact CD1-NE1 3.82Å; W199-E399 PolarHBondContact NE1-O 3.44Å
200	V	86.8	Confident	92.2	Very high	44 Å²	44	18.8 Å²	18.8	27%	0.267	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.1	179.9	179.1	0	0	0	0	108.9	R192 F193 R195 V202	R192-V200 VanDerWaalsContact CA-O 3.25Å; R192-V200 WeakPolarHBondContact CA-O 3.28Å; F193-V200 PolarHBondContact N-O 3.36Å; F193-V200 PolarHBondContact O-N 3.42Å; R195-V200 HydrophobicContact CB-CG2 3.89Å; R195-V200 HydrophobicContact CG-CG2 4.03Å; V200-V202 HydrophobicContact CG1-CG2 4.48Å
201	E	91.2	Very high	92.2	Very high	34 Å²	34	20 Å²	20	16%	0.159	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128	173.1	-169.2	160.2	84.5	0	0	110.4	A82 F191 R192 L203	A82-E201 VanDerWaalsContact C-OE1 3.24Å; A82-E201 HydrophobicContact CB-CB 3.81Å; A82-E201 HydrophobicContact CB-CG 4.35Å; A82-E201 VanDerWaalsContact CB-OE1 3.29Å; A82-E201 WeakPolarHBondContact CB-OE1 3.18Å; F191-E201 CarbonylContact O-C 3.59Å; F191-E201 WeakPolarHBondContact O-CA 3.44Å; R192-E201 HydrophobicContact CG-CB 4.34Å; R192-E201 HydrophobicContact CG-CG 4.33Å; R192-E201 IonicContact CZ-OE2 2.79Å; R192-E201 IonicContact NE-OE2 2.72Å; R192-E201 PolarHBondContact NE-OE2 3Å; R192-E201 VanDerWaalsContact NE-OE2 3.15Å; R192-E201 IonicContact NH2-OE2 2.79Å; R192-E201 PolarHBondContact NH2-OE2 3.09Å; E201-L203 HydrophobicContact CG-CD2 4.28Å
202	V	93.1	Very high	92.1	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.6	179.7	-179	0	0	0	0	108.5	R190 F191 F193 V200 I204 A236 K239 L240	R190-V202 WeakPolarHBondContact CA-O 3.45Å; F191-V202 PolarHBondContact N-O 3.38Å; F191-V202 PolarHBondContact O-N 2.93Å; F193-V202 HydrophobicContact CD2-CB 4.33Å; F193-V202 HydrophobicContact CD2-CG2 3.75Å; F193-V202 HydrophobicContact CE2-CB 4.24Å; F193-V202 HydrophobicContact CE2-CG2 4.12Å; V200-V202 HydrophobicContact CG1-CG2 4.48Å; V202-I204 HydrophobicContact CG1-CG2 4.35Å; V202-A236 HydrophobicContact CG1-CB 4.11Å; V202-K239 HydrophobicContact CG1-CB 4.41Å; V202-K239 HydrophobicContact CG1-CD 3.9Å; V202-K239 HydrophobicContact CG1-CG 4.22Å; V202-L240 HydrophobicContact CG2-CD1 4.04Å
203	L	95.7	Very high	92	Very high	32 Å²	32	25.3 Å²	25.3	17%	0.168	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.4	172.7	-55	-176.1	0	0	0	109.5	Y86 L89 W100 V188 V189 R190 E201 K239	Y86-L203 HydrophobicContact CD2-CD1 4.47Å; Y86-L203 HydrophobicContact CD2-CD2 3.88Å; L89-L203 HydrophobicContact CD2-CD1 3.98Å; W100-L203 HydrophobicContact CH2-CB 3.9Å; W100-L203 HydrophobicContact CZ3-CB 3.96Å; V188-L203 HydrophobicContact CG1-CB 4.37Å; V188-L203 HydrophobicContact CG1-CD2 4.47Å; V189-L203 WeakPolarHBondContact O-CA 3.33Å; R190-L203 HydrophobicContact CB-CD2 3.58Å; E201-L203 HydrophobicContact CG-CD2 4.28Å; L203-K239 WeakPolarHBondContact O-CD 3.3Å; L203-K239 PolarHBondContact O-NZ 3.49Å
204	I	97.6	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.7	172	57.9	166.7	0	0	0	110.7	D102 V189 F191 V202 L232 K235 A236 K239	D102-I204 WeakPolarHBondContact OD2-CA 3.45Å; V189-I204 HydrophobicContact CB-CG1 4.01Å; V189-I204 PolarHBondContact N-O 3.17Å; V189-I204 PolarHBondContact O-N 3Å; F191-I204 HydrophobicContact CD2-CD1 4.39Å; F191-I204 HydrophobicContact CE2-CD1 4Å; F191-I204 HydrophobicContact CE2-CG1 4.44Å; V202-I204 HydrophobicContact CG1-CG2 4.35Å; I204-L232 HydrophobicContact CD1-CB 4.3Å; I204-L232 HydrophobicContact CD1-CD2 4.06Å; I204-L232 WeakPolarHBondContact CD1-O 3.44Å; I204-K235 HydrophobicContact CD1-CB 3.84Å; I204-K235 HydrophobicContact CD1-CD 3.97Å; I204-K235 HydrophobicContact CD1-CG 3.96Å; I204-A236 HydrophobicContact CD1-CB 4.15Å; I204-A236 HydrophobicContact CG1-CB 4.5Å; I204-A236 HydrophobicContact CG2-CB 4.05Å; I204-K239 HydrophobicContact CG2-CB 4.24Å; I204-K239 HydrophobicContact CG2-CD 3.79Å
205	D	97.5	Very high	92.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	155.9	159	76.1	71.7	0	0	0	110.1	W100 D102 G187 R207 K235	W100-D205 HydrophobicContact CE3-CB 4.23Å; D102-D205 HydrophobicContact CB-CB 4.26Å; D102-D205 WeakPolarHBondContact CB-OD2 3.45Å; D102-D205 PolarHBondContact N-OD2 3.42Å; D102-D205 VanDerWaalsContact N-OD2 3.14Å; G187-D205 VanDerWaalsContact O-CA 3.26Å; G187-D205 WeakPolarHBondContact O-CA 3.47Å; D205-R207 VanDerWaalsContact C-N 3.33Å; D205-R207 VanDerWaalsContact CG-NH2 3.33Å; D205-R207 PolarHBondContact O-N 2.91Å; D205-R207 WeakPolarHBondContact OD1-CB 3.4Å; D205-R207 IonicContact OD1-CZ 3.65Å; D205-R207 PolarHBondContact OD1-N 3.5Å; D205-R207 IonicContact OD1-NE 3.99Å; D205-R207 PolarHBondContact OD1-NE 3.11Å; D205-R207 IonicContact OD1-NH2 3.39Å; D205-R207 IonicContact OD2-CZ 2.86Å; D205-R207 IonicContact OD2-NE 3.58Å; D205-R207 IonicContact OD2-NH2 3.41Å; D205-R207 PolarHBondContact OD2-NH2 3.4Å; D205-K235 WeakPolarHBondContact O-CE 3.39Å; D205-K235 PolarHBondContact O-NZ 3.44Å; D205-K235 IonicContact OD1-NZ 3.15Å; D205-K235 PolarHBondContact OD1-NZ 3.02Å; D205-K235 IonicContact OD2-NZ 3.16Å
206	D	97.7	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-86.3	6.3	-174.3	70.3	-13.8	0	0	0	115	R126 P127 L180 Y185 G187 V189 L208 L232	R126-D206 WeakPolarHBondContact CG-OD1 3.44Å; R126-D206 IonicContact CZ-OD1 3Å; R126-D206 IonicContact NE-OD1 2.7Å; R126-D206 IonicContact NH1-OD1 2.74Å; R126-D206 PolarHBondContact NH1-OD1 3.11Å; P127-D206 WeakPolarHBondContact CD-O 3.41Å; P127-D206 VanDerWaalsContact CD-OD2 3.31Å; P127-D206 WeakPolarHBondContact CD-OD2 3.36Å; P127-D206 HydrophobicContact CG-CB 4.24Å; L180-D206 HydrophobicContact CD2-CB 4.38Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.06Å; Y185-D206 VanDerWaalsContact CZ-OD2 3.23Å; Y185-D206 VanDerWaalsContact OH-CG 3.23Å; Y185-D206 PolarHBondContact OH-OD1 3.18Å; Y185-D206 PolarHBondContact OH-OD2 3.29Å; G187-D206 PolarHBondContact O-N 2.75Å; V189-D206 HydrophobicContact CG2-CB 3.81Å; D206-L208 PolarHBondContact O-N 2.89Å; D206-L232 HydrophobicContact CB-CD2 4.02Å
207	R	98.3	Very high	93.5	Very high	33 Å²	33	37.9 Å²	37.9	13%	0.125	20%	0.2	C	C	.	.			trans	-69	129.2	176.1	-64.7	168.1	-71.3	-163.5	0.8	110.1	E101 A107 W124 K125 R126 D205 K235	E101-R207 VanDerWaalsContact CA-NH2 3.34Å; E101-R207 VanDerWaalsContact CB-NH2 3.29Å; E101-R207 VanDerWaalsContact CD-NH1 3.32Å; E101-R207 IonicContact OE1-CZ 3.42Å; E101-R207 IonicContact OE1-NH1 3.88Å; E101-R207 PolarHBondContact OE1-NH1 2.86Å; A107-R207 HydrophobicContact CB-CB 4.15Å; W124-R207 HydrophobicContact CB-CB 4.29Å; W124-R207 HydrophobicContact CE3-CB 4.28Å; W124-R207 WeakPolarHBondContact CZ3-O 3.33Å; K125-R207 CarbonylContact O-C 3.57Å; K125-R207 WeakPolarHBondContact O-CA 3.45Å; R126-R207 HydrophobicContact CG-CG 3.55Å; D205-R207 VanDerWaalsContact C-N 3.33Å; D205-R207 VanDerWaalsContact CG-NH2 3.33Å; D205-R207 PolarHBondContact O-N 2.91Å; D205-R207 WeakPolarHBondContact OD1-CB 3.4Å; D205-R207 IonicContact OD1-CZ 3.65Å; D205-R207 PolarHBondContact OD1-N 3.5Å; D205-R207 IonicContact OD1-NE 3.99Å; D205-R207 PolarHBondContact OD1-NE 3.11Å; D205-R207 IonicContact OD1-NH2 3.39Å; D205-R207 IonicContact OD2-CZ 2.86Å; D205-R207 IonicContact OD2-NE 3.58Å; D205-R207 IonicContact OD2-NH2 3.41Å; D205-R207 PolarHBondContact OD2-NH2 3.4Å; R207-K235 WeakPolarHBondContact O-CD 3.48Å; R207-K235 WeakPolarHBondContact O-CE 3.23Å; R207-K235 PolarHBondContact O-NZ 2.99Å
208	L	98.5	Very high	94.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.2	-179.5	-68.5	167.5	0	0	0	111	W124 K125 I130 D206 V210 L217 F228 A231 L232 K235	W124-L208 WeakPolarHBondContact CA-O 3.42Å; K125-L208 PolarHBondContact N-O 3.33Å; K125-L208 PolarHBondContact O-N 3.07Å; I130-L208 HydrophobicContact CD1-CB 4.33Å; D206-L208 PolarHBondContact O-N 2.89Å; L208-V210 PolarHBondContact O-N 2.82Å; L208-L217 HydrophobicContact CB-CD2 3.54Å; L208-L217 HydrophobicContact CD1-CD2 3.86Å; L208-L217 HydrophobicContact CG-CD2 4.28Å; L208-F228 HydrophobicContact CD1-CD1 3.61Å; L208-F228 HydrophobicContact CD1-CE1 4.33Å; L208-A231 HydrophobicContact CD1-CB 3.76Å; L208-A231 HydrophobicContact CD2-CB 3.97Å; L208-L232 HydrophobicContact CD1-CD2 4.28Å; L208-L232 HydrophobicContact CD1-CG 4.32Å; L208-L232 HydrophobicContact CD2-CD2 3.99Å; L208-L232 HydrophobicContact CD2-CG 4.4Å; L208-L232 HydrophobicContact CG-CD2 4.15Å; L208-K235 HydrophobicContact CD2-CB 4.39Å; L208-K235 HydrophobicContact CD2-CD 4.3Å
209	P	97.1	Very high	94.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.6	176.5	29.4	-32.1	0	0	0	110.3	I112 I122 E123 W124 V218 F219 Y244	I112-P209 HydrophobicContact CD1-CB 4.03Å; I112-P209 HydrophobicContact CD1-CG 4.42Å; I122-P209 HydrophobicContact CG2-CB 3.56Å; E123-P209 WeakPolarHBondContact O-CA 3.47Å; W124-P209 HydrophobicContact CH2-CB 4.48Å; W124-P209 HydrophobicContact CZ3-CB 4.48Å; W124-P209 HydrophobicContact CZ3-CG 4.43Å; P209-V218 HydrophobicContact CB-CG2 4.4Å; P209-V218 WeakPolarHBondContact O-CG2 3.41Å; P209-V218 PolarHBondContact O-N 3.45Å; P209-V218 VanDerWaalsContact O-N 3.13Å; P209-F219 HydrophobicContact CB-CD2 4.44Å; P209-F219 HydrophobicContact CB-CE2 4.22Å; P209-F219 HydrophobicContact CG-CD2 3.44Å; P209-F219 VanDerWaalsContact CG-CD2 3.44Å; P209-F219 HydrophobicContact CG-CE2 3.59Å; P209-Y244 HydrophobicContact CG-CE2 4.26Å
210	V	97.3	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.4	173.2	-59.2	0	0	0	0	110.5	I122 E123 K125 I130 L208 Q212 R214 T216 L217	I122-V210 WeakPolarHBondContact CA-O 3.29Å; E123-V210 HydrophobicContact CB-CG2 3.85Å; E123-V210 PolarHBondContact N-O 3.45Å; E123-V210 WeakPolarHBondContact O-CG2 3.33Å; E123-V210 PolarHBondContact O-N 3.19Å; K125-V210 HydrophobicContact CB-CG2 4.35Å; K125-V210 HydrophobicContact CD-CG2 3.77Å; K125-V210 HydrophobicContact CG-CG2 3.9Å; I130-V210 HydrophobicContact CD1-CG1 3.52Å; I130-V210 HydrophobicContact CG1-CG1 3.9Å; L208-V210 PolarHBondContact O-N 2.82Å; V210-Q212 PolarHBondContact O-N 3.02Å; V210-R214 WeakPolarHBondContact CG2-O 2.85Å; V210-T216 VanDerWaalsContact CA-O 3.28Å; V210-T216 WeakPolarHBondContact CA-O 3.44Å; V210-T216 WeakPolarHBondContact CB-O 3.37Å; V210-L217 HydrophobicContact CG1-CD2 4.12Å
211	R	95	Very high	95.4	Very high	75 Å²	75	34.4 Å²	34.4	28%	0.283	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.2	173.6	-59.2	177	-179.2	-115.8	-5.5	109.5	E120 G213 R214 T216 V218	E120-R211 IonicContact OE1-CZ 3.63Å; E120-R211 IonicContact OE1-NH1 3.8Å; E120-R211 PolarHBondContact OE1-NH1 2.93Å; E120-R211 IonicContact OE1-NH2 2.68Å; E120-R211 VanDerWaalsContact OE2-CD 3.31Å; E120-R211 WeakPolarHBondContact OE2-CD 3.45Å; E120-R211 WeakPolarHBondContact OE2-CG 3.48Å; E120-R211 IonicContact OE2-CZ 2.92Å; E120-R211 VanDerWaalsContact OE2-CZ 3.29Å; E120-R211 IonicContact OE2-NE 2.63Å; E120-R211 IonicContact OE2-NH1 3.98Å; E120-R211 PolarHBondContact OE2-NH1 2.69Å; R211-G213 PolarHBondContact O-N 3.28Å; R211-R214 HydrophobicContact CB-CB 4.35Å; R211-R214 WeakPolarHBondContact O-CA 3.12Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 2.93Å; R211-T216 PolarHBondContact N-O 3.32Å; R211-V218 HydrophobicContact CG-CG2 3.91Å
212	Q	92.7	Very high	95.4	Very high	91 Å²	91	33.3 Å²	33.3	43%	0.425	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	133.5	-176.2	-178.5	171.9	56.9	0	0	112.4	R121 E123 V210 R214	R121-Q212 HydrophobicContact CB-CB 3.71Å; R121-Q212 HydrophobicContact CB-CG 4.3Å; R121-Q212 VanDerWaalsContact O-CB 3.26Å; R121-Q212 WeakPolarHBondContact O-CB 3.42Å; R121-Q212 PolarHBondContact O-N 3.27Å; E123-Q212 HydrophobicContact CG-CB 4.42Å; E123-Q212 HydrophobicContact CG-CG 4.27Å; E123-Q212 WeakPolarHBondContact OE1-CG 3.26Å; V210-Q212 PolarHBondContact O-N 3.02Å; Q212-R214 PolarHBondContact O-N 3.45Å
213	G	93.1	Very high	95.2	Very high	64 Å²	64	37.8 Å²	37.8	66%	0.66	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	6.3	-178.3	0	0	0	0	0	115.1	E123 R211	E123-G213 PolarHBondContact OE1-N 3.1Å; R211-G213 PolarHBondContact O-N 3.28Å
214	R	93.2	Very high	95	Very high	151 Å²	151	39.1 Å²	39.1	57%	0.57	20%	0.203	S	C	*	.	S	Bend	trans	-124.7	166.3	177.7	-59.2	-171.5	177.3	96.2	-3	110.8	K125 V210 R211 Q212 T216	K125-R214 PolarHBondContact NZ-O 3.07Å; V210-R214 WeakPolarHBondContact CG2-O 2.85Å; R211-R214 HydrophobicContact CB-CB 4.35Å; R211-R214 WeakPolarHBondContact O-CA 3.12Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 2.93Å; Q212-R214 PolarHBondContact O-N 3.45Å; R214-T216 HydrophobicContact CB-CG2 4.5Å; R214-T216 WeakPolarHBondContact CB-OG1 3.46Å
215	N	95.5	Very high	94.8	Very high	81 Å²	81	43.4 Å²	43.4	43%	0.433	23%	0.231	S	C	.	.			trans	-109.5	35.1	171.9	-74.4	4.1	0	0	0	110.2	K125 E129 I130	K125-N215 PolarHBondContact NZ-OD1 2.92Å; E129-N215 PolarHBondContact O-ND2 2.96Å; I130-N215 HydrophobicContact CG2-CB 3.95Å; I130-N215 VanDerWaalsContact CG2-O 3.31Å; I130-N215 WeakPolarHBondContact CG2-O 3.24Å; I130-N215 PolarHBondContact O-ND2 2.9Å
216	T	95.5	Very high	94.7	Very high	65 Å²	65	44.5 Å²	44.5	40%	0.399	24%	0.238	S	C	.	.			trans	-105.6	122.4	178.3	52.1	0	0	0	0	108.8	V210 R211 R214	V210-T216 VanDerWaalsContact CA-O 3.28Å; V210-T216 WeakPolarHBondContact CA-O 3.44Å; V210-T216 WeakPolarHBondContact CB-O 3.37Å; R211-T216 PolarHBondContact N-O 3.32Å; R214-T216 HydrophobicContact CB-CG2 4.5Å; R214-T216 WeakPolarHBondContact CB-OG1 3.46Å
217	L	96.6	Very high	94.6	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.136	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-59.9	150.7	174.5	-69.2	169	0	0	0	110.6	I130 L208 V210 H221 F228 A231	I130-L217 HydrophobicContact CD1-CD2 3.94Å; L208-L217 HydrophobicContact CB-CD2 3.54Å; L208-L217 HydrophobicContact CD1-CD2 3.86Å; L208-L217 HydrophobicContact CG-CD2 4.28Å; V210-L217 HydrophobicContact CG1-CD2 4.12Å; L217-H221 HydrophobicContact CB-CB 4.06Å; L217-H221 HydrophobicContact CD1-CB 3.55Å; L217-H221 HydrophobicContact CG-CB 4.44Å; L217-F228 HydrophobicContact CD1-CD1 4.19Å; L217-F228 HydrophobicContact CD1-CE1 4.09Å; L217-A231 HydrophobicContact CD1-CB 3.98Å
218	V	94.9	Very high	94.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	23%	0.233	C	C	.	.	S	Bend	trans	-90.6	-36.6	-178.5	179.9	0	0	0	0	111.8	F118 I122 G149 A150 P209 R211	F118-V218 HydrophobicContact CD2-CG1 4.41Å; F118-V218 HydrophobicContact CE1-CG1 4.38Å; F118-V218 HydrophobicContact CE2-CG1 3.32Å; F118-V218 HydrophobicContact CZ-CB 4.48Å; F118-V218 HydrophobicContact CZ-CG1 3.29Å; F118-V218 HydrophobicContact CZ-CG2 4.32Å; I122-V218 HydrophobicContact CG1-CG2 4.37Å; G149-V218 WeakPolarHBondContact CA-O 3.36Å; A150-V218 HydrophobicContact CB-CG1 4.13Å; A150-V218 PolarHBondContact N-O 2.89Å; P209-V218 HydrophobicContact CB-CG2 4.4Å; P209-V218 WeakPolarHBondContact O-CG2 3.41Å; P209-V218 PolarHBondContact O-N 3.45Å; P209-V218 VanDerWaalsContact O-N 3.13Å; R211-V218 HydrophobicContact CG-CG2 3.91Å
219	F	94.7	Very high	94.4	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.013	23%	0.233	C	C	.	.	S	Bend	trans	-114.2	-147.9	-169.8	-54.4	-48.7	0	0	0	111.2	I112 L115 G149 A150 L151 P209 H221 E234 Y244	I112-F219 HydrophobicContact CD1-CE2 3.76Å; I112-F219 HydrophobicContact CD1-CZ 4.11Å; I112-F219 HydrophobicContact CG2-CZ 4.4Å; L115-F219 HydrophobicContact CD1-CE1 4.06Å; L115-F219 HydrophobicContact CD1-CZ 4.01Å; G149-F219 WeakPolarHBondContact CA-O 3.5Å; A150-F219 HydrophobicContact CB-CD1 4.27Å; A150-F219 HydrophobicContact CB-CE1 4.37Å; L151-F219 HydrophobicContact CB-CD1 4.44Å; L151-F219 HydrophobicContact CD1-CB 4.18Å; L151-F219 HydrophobicContact CD1-CD1 3.53Å; L151-F219 HydrophobicContact CD1-CD2 4.21Å; L151-F219 HydrophobicContact CD1-CE1 3.81Å; L151-F219 HydrophobicContact CD1-CE2 4.46Å; L151-F219 HydrophobicContact CD1-CG 3.74Å; L151-F219 HydrophobicContact CD1-CZ 4.28Å; L151-F219 HydrophobicContact CD2-CD1 4.29Å; L151-F219 HydrophobicContact CD2-CE1 3.9Å; L151-F219 HydrophobicContact CD2-CZ 4.49Å; L151-F219 HydrophobicContact CG-CD1 3.42Å; L151-F219 VanDerWaalsContact CG-CD1 3.42Å; L151-F219 HydrophobicContact CG-CE1 3.55Å; L151-F219 HydrophobicContact CG-CG 4.16Å; L151-F219 HydrophobicContact CG-CZ 4.38Å; P209-F219 HydrophobicContact CB-CD2 4.44Å; P209-F219 HydrophobicContact CB-CE2 4.22Å; P209-F219 HydrophobicContact CG-CD2 3.44Å; P209-F219 VanDerWaalsContact CG-CD2 3.44Å; P209-F219 HydrophobicContact CG-CE2 3.59Å; F219-H221 PolarHBondContact O-N 2.92Å; F219-H221 PolarHBondContact O-ND1 3.37Å; F219-E234 WeakPolarHBondContact CB-OE1 3.36Å; F219-E234 WeakPolarHBondContact CB-OE2 3.35Å; F219-Y244 HydrophobicContact CB-CE1 4.39Å; F219-Y244 AromaticContact CD2-CD1 3.46Å; F219-Y244 HydrophobicContact CD2-CD1 3.46Å; F219-Y244 VanDerWaalsContact CD2-CD1 3.46Å; F219-Y244 HydrophobicContact CD2-CD2 4.25Å; F219-Y244 AromaticContact CD2-CE1 3.41Å; F219-Y244 HydrophobicContact CD2-CE1 3.41Å; F219-Y244 VanDerWaalsContact CD2-CE1 3.41Å; F219-Y244 HydrophobicContact CD2-CE2 4.21Å; F219-Y244 AromaticContact CD2-CG 3.87Å; F219-Y244 HydrophobicContact CD2-CG 3.87Å; F219-Y244 AromaticContact CD2-CZ 3.78Å; F219-Y244 AromaticContact CE2-CD1 3.63Å; F219-Y244 HydrophobicContact CE2-CD1 3.63Å; F219-Y244 AromaticContact CE2-CD2 3.78Å; F219-Y244 HydrophobicContact CE2-CD2 3.78Å; F219-Y244 AromaticContact CE2-CE1 3.94Å; F219-Y244 HydrophobicContact CE2-CE1 3.94Å; F219-Y244 HydrophobicContact CE2-CE2 4.09Å; F219-Y244 AromaticContact CE2-CG 3.51Å; F219-Y244 HydrophobicContact CE2-CG 3.51Å; F219-Y244 HydrophobicContact CG-CD1 4.17Å; F219-Y244 HydrophobicContact CG-CE1 4.2Å; F219-Y244 HydrophobicContact CZ-CD1 4.45Å; F219-Y244 HydrophobicContact CZ-CG 4.22Å
220	M	94.4	Very high	94.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-52.7	134.8	-179	-169.1	-165.3	-60.2	0	0	111.6	I146 E147 L156 L157 S230 A231 E234	I146-M220 HydrophobicContact CG2-CG 4.3Å; I146-M220 HydrophobicContact CG2-SD 4.23Å; E147-M220 VanDerWaalsContact O-CA 3.27Å; E147-M220 WeakPolarHBondContact O-CA 3.41Å; L156-M220 HydrophobicContact CD2-CE 4.33Å; L157-M220 HydrophobicContact CD1-CE 3.26Å; L157-M220 HydrophobicContact CD2-CE 4.48Å; L157-M220 HydrophobicContact CD2-CG 4.33Å; L157-M220 HydrophobicContact CG-CE 3.53Å; L157-M220 HydrophobicContact CG-CG 4.29Å; L157-M220 HydrophobicContact CG-SD 4.39Å; M220-S230 VanDerWaalsContact SD-O 3.34Å; M220-A231 VanDerWaalsContact O-CA 3.27Å; M220-A231 WeakPolarHBondContact O-CA 3.07Å; M220-A231 WeakPolarHBondContact O-CB 3.41Å; M220-E234 HydrophobicContact CB-CB 3.94Å; M220-E234 HydrophobicContact CB-CG 4.06Å; M220-E234 VanDerWaalsContact CB-OE1 3.29Å; M220-E234 WeakPolarHBondContact CB-OE1 3.29Å; M220-E234 WeakPolarHBondContact CB-OE2 3.14Å; M220-E234 HydrophobicContact CE-CB 3.81Å; M220-E234 HydrophobicContact CE-CG 4.07Å; M220-E234 VanDerWaalsContact N-CD 3.32Å; M220-E234 PolarHBondContact N-OE1 3.06Å; M220-E234 PolarHBondContact N-OE2 2.98Å; M220-E234 HydrophobicContact SD-CB 4.21Å
221	H	94.2	Very high	94.4	Very high	52 Å²	52	43.2 Å²	43.2	24%	0.241	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-154.2	164.2	179.9	59.2	-72.3	0	0	0	112.5	D145 E147 L217 F219	D145-H221 CarbonylContact O-C 3.59Å; E147-H221 WeakPolarHBondContact CB-O 3.36Å; E147-H221 PolarHBondContact N-O 2.91Å; E147-H221 PolarHBondContact O-N 3.34Å; E147-H221 VanDerWaalsContact O-N 3.13Å; E147-H221 IonicContact OE2-CD2 3.65Å; E147-H221 IonicContact OE2-CE1 2.8Å; E147-H221 IonicContact OE2-NE2 3.96Å; E147-H221 PolarHBondContact OE2-NE2 3.07Å; L217-H221 HydrophobicContact CB-CB 4.06Å; L217-H221 HydrophobicContact CD1-CB 3.55Å; L217-H221 HydrophobicContact CG-CB 4.44Å; F219-H221 PolarHBondContact O-N 2.92Å; F219-H221 PolarHBondContact O-ND1 3.37Å
222	S	92.1	Very high	94.5	Very high	10 Å²	10	39.7 Å²	39.7	7%	0.07	22%	0.22	C	C	.	.			trans	-89.5	150.2	173.6	-179.1	0	0	0	0	111.2	D145 D224 E227	D145-S222 WeakPolarHBondContact CA-OG 3.5Å; D145-S222 VanDerWaalsContact O-CA 3.25Å; D145-S222 WeakPolarHBondContact O-CA 3.4Å; D145-S222 PolarHBondContact O-N 3.07Å; S222-D224 PolarHBondContact O-N 3.29Å; S222-D224 PolarHBondContact OG-N 3.23Å; S222-D224 VanDerWaalsContact OG-N 3.11Å; S222-E227 PolarHBondContact OG-OE2 3.3Å
223	N	87.5	Confident	94.7	Very high	104 Å²	104	35.3 Å²	35.3	56%	0.556	20%	0.2	S	C	*	.	S	Bend	trans	-62.8	-29.5	166.2	-96.7	-50.1	0	0	0	112.7	E147 P225	E147-N223 PolarHBondContact OE1-ND2 2.6Å; E147-N223 PolarHBondContact OE1-OD1 3.37Å; N223-P225 VanDerWaalsContact O-CD 3.31Å; N223-P225 WeakPolarHBondContact O-CD 3.37Å
224	D	91.9	Very high	95	Very high	61 Å²	61	32.4 Å²	32.4	33%	0.326	17%	0.169	S	C	.	.	S	Bend	trans	-78.5	112.8	170	-173.9	-28.6	0	0	0	108.8	A138 S222 T226 E227	A138-D224 VanDerWaalsContact CB-OD2 3.32Å; A138-D224 WeakPolarHBondContact CB-OD2 3.37Å; S222-D224 PolarHBondContact O-N 3.29Å; S222-D224 PolarHBondContact OG-N 3.23Å; S222-D224 VanDerWaalsContact OG-N 3.11Å; D224-T226 VanDerWaalsContact CG-OG1 3.32Å; D224-T226 PolarHBondContact O-N 3.13Å; D224-T226 WeakPolarHBondContact OD1-CA 3.26Å; D224-T226 VanDerWaalsContact OD1-CB 3.31Å; D224-T226 WeakPolarHBondContact OD1-CB 3.45Å; D224-T226 PolarHBondContact OD1-N 3.33Å; D224-T226 PolarHBondContact OD1-OG1 2.64Å; D224-T226 PolarHBondContact OD2-OG1 3.45Å; D224-E227 HydrophobicContact CB-CB 4.16Å; D224-E227 PolarHBondContact O-N 2.98Å
225	P	93.4	Very high	95.2	Very high	90 Å²	90	25.2 Å²	25.2	58%	0.584	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-4.9	-177.3	30.9	-37.7	0	0	0	113.4	N131 N223	N131-P225 PolarHBondContact ND2-O 3.33Å; N223-P225 VanDerWaalsContact O-CD 3.31Å; N223-P225 WeakPolarHBondContact O-CD 3.37Å
226	T	95.6	Very high	95.3	Very high	22 Å²	22	21.3 Å²	21.3	14%	0.135	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.7	175.1	72.7	0	0	0	0	113.4	N133 A134 K135 D224 F228	N133-T226 HydrophobicContact CB-CG2 3.99Å; A134-T226 CarbonylContact C-O 3.49Å; A134-T226 WeakPolarHBondContact CA-O 3.3Å; K135-T226 PolarHBondContact N-O 2.96Å; D224-T226 VanDerWaalsContact CG-OG1 3.32Å; D224-T226 PolarHBondContact O-N 3.13Å; D224-T226 WeakPolarHBondContact OD1-CA 3.26Å; D224-T226 VanDerWaalsContact OD1-CB 3.31Å; D224-T226 WeakPolarHBondContact OD1-CB 3.45Å; D224-T226 PolarHBondContact OD1-N 3.33Å; D224-T226 PolarHBondContact OD1-OG1 2.64Å; D224-T226 PolarHBondContact OD2-OG1 3.45Å; T226-F228 WeakPolarHBondContact O-CD2 3.3Å
227	E	95.4	Very high	95.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-109.7	137	-174.1	-169.3	171.8	-130	0	0	113	F136 F137 A138 D145 S222 D224	F136-E227 WeakPolarHBondContact O-CG 3.22Å; F137-E227 WeakPolarHBondContact CA-OE1 3.21Å; A138-E227 HydrophobicContact CB-CB 3.81Å; A138-E227 HydrophobicContact CB-CG 4.15Å; A138-E227 PolarHBondContact N-OE1 2.86Å; D145-E227 WeakPolarHBondContact CB-OE2 3.47Å; S222-E227 PolarHBondContact OG-OE2 3.3Å; D224-E227 HydrophobicContact CB-CB 4.16Å; D224-E227 PolarHBondContact O-N 2.98Å
228	F	97.1	Very high	95.2	Very high	4 Å²	4	17 Å²	17	2%	0.018	10%	0.096	C	C	.	.			trans	-135.1	0.4	-168.2	-70.4	-91.3	0	0	0	115.3	P127 I130 N131 A134 K135 L180 L208 L217 T226 S230 A231 L232	P127-F228 HydrophobicContact CB-CB 4.48Å; P127-F228 HydrophobicContact CB-CD1 4.05Å; P127-F228 HydrophobicContact CB-CD2 3.94Å; P127-F228 HydrophobicContact CB-CE1 4.24Å; P127-F228 HydrophobicContact CB-CE2 4.16Å; P127-F228 HydrophobicContact CB-CG 3.89Å; P127-F228 HydrophobicContact CB-CZ 4.3Å; P127-F228 HydrophobicContact CG-CD1 4.43Å; P127-F228 HydrophobicContact CG-CG 4.38Å; I130-F228 HydrophobicContact CB-CE1 4.25Å; I130-F228 HydrophobicContact CB-CZ 4.14Å; I130-F228 HydrophobicContact CD1-CE1 3.99Å; I130-F228 HydrophobicContact CG2-CE1 4.12Å; I130-F228 HydrophobicContact CG2-CZ 4.02Å; N131-F228 HydrophobicContact CB-CE2 4.36Å; N131-F228 HydrophobicContact CB-CZ 4.25Å; A134-F228 HydrophobicContact CB-CD2 3.83Å; A134-F228 HydrophobicContact CB-CE2 3.51Å; A134-F228 HydrophobicContact CB-CZ 4.39Å; K135-F228 PolarHBondContact O-N 3.49Å; L180-F228 HydrophobicContact CD1-CB 3.83Å; L180-F228 HydrophobicContact CD1-CD2 4.47Å; L180-F228 HydrophobicContact CD1-CG 4.43Å; L208-F228 HydrophobicContact CD1-CD1 3.61Å; L208-F228 HydrophobicContact CD1-CE1 4.33Å; L217-F228 HydrophobicContact CD1-CD1 4.19Å; L217-F228 HydrophobicContact CD1-CE1 4.09Å; T226-F228 WeakPolarHBondContact O-CD2 3.3Å; F228-S230 VanDerWaalsContact C-N 3.29Å; F228-S230 PolarHBondContact O-N 3.36Å; F228-A231 PolarHBondContact O-N 3.1Å; F228-L232 HydrophobicContact CB-CD1 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.31Å; F228-L232 WeakPolarHBondContact O-CD1 3.35Å; F228-L232 VanDerWaalsContact O-CG 3.26Å; F228-L232 WeakPolarHBondContact O-CG 3.5Å; F228-L232 PolarHBondContact O-N 3.27Å; F228-L232 VanDerWaalsContact O-N 3.08Å
229	W	95.8	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-38.2	-176.6	72.4	-95.9	0	0	0	112.9	F136 F137 A141 D145 I146 V160 F170 L232 L233	F136-W229 HydrophobicContact CD1-CB 3.91Å; F136-W229 HydrophobicContact CD2-CB 4.46Å; F136-W229 HydrophobicContact CE1-CB 3.63Å; F136-W229 HydrophobicContact CE2-CB 4.19Å; F136-W229 HydrophobicContact CG-CB 4.33Å; F136-W229 HydrophobicContact CZ-CB 3.78Å; F136-W229 WeakPolarHBondContact O-CB 3.48Å; F136-W229 PolarHBondContact O-N 3.48Å; F136-W229 VanDerWaalsContact O-N 3.16Å; F137-W229 HydrophobicContact CD1-CB 4.09Å; F137-W229 AromaticContact CD1-CD1 3.37Å; F137-W229 AromaticContact CD1-CG 3.75Å; F137-W229 HydrophobicContact CD1-CG 3.75Å; F137-W229 AromaticContact CD1-NE1 3.97Å; F137-W229 HydrophobicContact CE1-CB 3.73Å; F137-W229 AromaticContact CE1-CD1 3.56Å; F137-W229 AromaticContact CE1-CD2 3.98Å; F137-W229 HydrophobicContact CE1-CD2 3.98Å; F137-W229 AromaticContact CE1-CG 3.46Å; F137-W229 HydrophobicContact CE1-CG 3.46Å; F137-W229 VanDerWaalsContact CE1-CG 3.46Å; F137-W229 HydrophobicContact CZ-CB 4.38Å; F137-W229 HydrophobicContact CZ-CG 4.48Å; A141-W229 HydrophobicContact CB-CZ2 4.15Å; D145-W229 HydrophobicContact CB-CZ2 3.78Å; D145-W229 PolarHBondContact OD2-NE1 2.84Å; I146-W229 HydrophobicContact CD1-CH2 3.93Å; I146-W229 HydrophobicContact CD1-CZ2 4.45Å; I146-W229 HydrophobicContact CG1-CH2 3.94Å; I146-W229 HydrophobicContact CG1-CZ2 4.2Å; V160-W229 HydrophobicContact CG1-CH2 3.77Å; V160-W229 HydrophobicContact CG1-CZ3 3.69Å; F170-W229 AromaticContact CE2-CE3 3.94Å; F170-W229 HydrophobicContact CE2-CE3 3.94Å; F170-W229 AromaticContact CE2-CH2 3.68Å; F170-W229 HydrophobicContact CE2-CH2 3.68Å; F170-W229 HydrophobicContact CE2-CZ2 4.38Å; F170-W229 AromaticContact CE2-CZ3 3.44Å; F170-W229 HydrophobicContact CE2-CZ3 3.44Å; F170-W229 VanDerWaalsContact CE2-CZ3 3.44Å; F170-W229 HydrophobicContact CZ-CD2 4.06Å; F170-W229 AromaticContact CZ-CE3 3.69Å; F170-W229 HydrophobicContact CZ-CE3 3.69Å; F170-W229 HydrophobicContact CZ-CH2 4.02Å; F170-W229 HydrophobicContact CZ-CZ2 4.35Å; F170-W229 AromaticContact CZ-CZ3 3.69Å; F170-W229 HydrophobicContact CZ-CZ3 3.69Å; W229-L232 PolarHBondContact O-N 3.25Å; W229-L233 HydrophobicContact CE3-CD1 4.37Å; W229-L233 HydrophobicContact CZ3-CD1 4.03Å; W229-L233 WeakPolarHBondContact O-CB 3.33Å; W229-L233 PolarHBondContact O-N 2.92Å
230	S	95.5	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-49.7	-177.2	53.4	0	0	0	0	111.2	D145 M220 F228 L232 L233 E234	D145-S230 WeakPolarHBondContact O-CB 3.45Å; D145-S230 PolarHBondContact O-OG 3.48Å; M220-S230 VanDerWaalsContact SD-O 3.34Å; F228-S230 VanDerWaalsContact C-N 3.29Å; F228-S230 PolarHBondContact O-N 3.36Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.07Å; S230-L233 WeakPolarHBondContact O-CB 3.33Å; S230-L233 PolarHBondContact O-N 3Å; S230-L233 VanDerWaalsContact O-N 3.14Å; S230-E234 PolarHBondContact O-N 3.34Å
231	A	97.5	Very high	94.5	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-57.4	-40	173.7	0	0	0	0	0	113	L208 L217 M220 F228 K235	L208-A231 HydrophobicContact CD1-CB 3.76Å; L208-A231 HydrophobicContact CD2-CB 3.97Å; L217-A231 HydrophobicContact CD1-CB 3.98Å; M220-A231 VanDerWaalsContact O-CA 3.27Å; M220-A231 WeakPolarHBondContact O-CA 3.07Å; M220-A231 WeakPolarHBondContact O-CB 3.41Å; F228-A231 PolarHBondContact O-N 3.1Å; A231-K235 PolarHBondContact O-N 3.26Å; A231-K235 VanDerWaalsContact O-N 3.09Å
232	L	98.3	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.7	-35.5	177.9	-70.3	166.4	0	0	0	112.1	F136 L180 V189 F191 I204 D206 L208 F228 W229 S230 K235 A236	F136-L232 HydrophobicContact CD2-CD1 3.84Å; F136-L232 HydrophobicContact CE2-CD1 3.77Å; L180-L232 HydrophobicContact CD1-CD1 4.1Å; L180-L232 HydrophobicContact CD2-CD1 3.89Å; V189-L232 HydrophobicContact CG1-CB 4.47Å; V189-L232 HydrophobicContact CG1-CD1 4.33Å; V189-L232 HydrophobicContact CG2-CD1 4.21Å; V189-L232 HydrophobicContact CG2-CD2 4.38Å; F191-L232 HydrophobicContact CE2-CB 3.86Å; F191-L232 VanDerWaalsContact CE2-O 3.32Å; F191-L232 WeakPolarHBondContact CE2-O 3.42Å; F191-L232 VanDerWaalsContact CZ-C 3.45Å; F191-L232 HydrophobicContact CZ-CB 3.69Å; I204-L232 HydrophobicContact CD1-CB 4.3Å; I204-L232 HydrophobicContact CD1-CD2 4.06Å; I204-L232 WeakPolarHBondContact CD1-O 3.44Å; D206-L232 HydrophobicContact CB-CD2 4.02Å; L208-L232 HydrophobicContact CD1-CD2 4.28Å; L208-L232 HydrophobicContact CD1-CG 4.32Å; L208-L232 HydrophobicContact CD2-CD2 3.99Å; L208-L232 HydrophobicContact CD2-CG 4.4Å; L208-L232 HydrophobicContact CG-CD2 4.15Å; F228-L232 HydrophobicContact CB-CD1 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.31Å; F228-L232 WeakPolarHBondContact O-CD1 3.35Å; F228-L232 VanDerWaalsContact O-CG 3.26Å; F228-L232 WeakPolarHBondContact O-CG 3.5Å; F228-L232 PolarHBondContact O-N 3.27Å; F228-L232 VanDerWaalsContact O-N 3.08Å; W229-L232 PolarHBondContact O-N 3.25Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.07Å; L232-K235 WeakPolarHBondContact O-CB 3.44Å; L232-K235 PolarHBondContact O-N 2.97Å; L232-A236 PolarHBondContact O-N 3.01Å
233	L	97.7	Very high	94.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.7	-48.7	174.8	-177.3	155.4	0	0	0	110.6	V160 V173 V174 F191 W229 S230 K235 A236 Y237	V160-L233 HydrophobicContact CG1-CD1 4.14Å; V160-L233 HydrophobicContact CG1-CD2 4.46Å; V160-L233 HydrophobicContact CG2-CD1 4.48Å; V160-L233 HydrophobicContact CG2-CD2 3.76Å; V173-L233 HydrophobicContact CG1-CD1 3.96Å; V174-L233 HydrophobicContact CG2-CD1 3.71Å; F191-L233 HydrophobicContact CD1-CB 4.07Å; F191-L233 HydrophobicContact CD1-CD1 4.42Å; F191-L233 HydrophobicContact CD1-CG 4.15Å; F191-L233 HydrophobicContact CE1-CB 3.57Å; F191-L233 HydrophobicContact CE1-CD1 4.36Å; F191-L233 HydrophobicContact CE1-CG 4.12Å; F191-L233 HydrophobicContact CZ-CB 4.03Å; F191-L233 VanDerWaalsContact CZ-N 3.29Å; W229-L233 HydrophobicContact CE3-CD1 4.37Å; W229-L233 HydrophobicContact CZ3-CD1 4.03Å; W229-L233 WeakPolarHBondContact O-CB 3.33Å; W229-L233 PolarHBondContact O-N 2.92Å; S230-L233 WeakPolarHBondContact O-CB 3.33Å; S230-L233 PolarHBondContact O-N 3Å; S230-L233 VanDerWaalsContact O-N 3.14Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 2.82Å; L233-A236 PolarHBondContact O-N 3.12Å; L233-A236 VanDerWaalsContact O-N 3.1Å; L233-Y237 PolarHBondContact O-N 3.48Å
234	E	97.4	Very high	94.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-57.5	-42.5	176.2	-170.9	-163.8	-135.6	0	0	110.8	D153 F219 M220 S230 A236 Y237 A238 Y244 L247	D153-E234 VanDerWaalsContact OD2-OE1 3.13Å; F219-E234 WeakPolarHBondContact CB-OE1 3.36Å; F219-E234 WeakPolarHBondContact CB-OE2 3.35Å; M220-E234 HydrophobicContact CB-CB 3.94Å; M220-E234 HydrophobicContact CB-CG 4.06Å; M220-E234 VanDerWaalsContact CB-OE1 3.29Å; M220-E234 WeakPolarHBondContact CB-OE1 3.29Å; M220-E234 WeakPolarHBondContact CB-OE2 3.14Å; M220-E234 HydrophobicContact CE-CB 3.81Å; M220-E234 HydrophobicContact CE-CG 4.07Å; M220-E234 VanDerWaalsContact N-CD 3.32Å; M220-E234 PolarHBondContact N-OE1 3.06Å; M220-E234 PolarHBondContact N-OE2 2.98Å; M220-E234 HydrophobicContact SD-CB 4.21Å; S230-E234 PolarHBondContact O-N 3.34Å; E234-A236 PolarHBondContact O-N 3.47Å; E234-Y237 PolarHBondContact O-N 3.28Å; E234-A238 WeakPolarHBondContact O-CB 3.15Å; E234-A238 PolarHBondContact O-N 2.99Å; E234-Y244 HydrophobicContact CG-CD1 4.42Å; E234-Y244 HydrophobicContact CG-CE1 3.98Å; E234-Y244 WeakPolarHBondContact OE2-CE1 3.24Å; E234-L247 HydrophobicContact CG-CD1 4.13Å
235	K	97.9	Very high	94.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-45.8	173.4	-172.5	172.8	169.3	-172.7	0	112.6	F105 W124 I204 D205 R207 L208 A231 L232 L233 Y237 A238 K239 Y244	F105-K235 HydrophobicContact CD1-CG 4.45Å; F105-K235 HydrophobicContact CE1-CG 4.11Å; W124-K235 HydrophobicContact CZ3-CD 4.39Å; I204-K235 HydrophobicContact CD1-CB 3.84Å; I204-K235 HydrophobicContact CD1-CD 3.97Å; I204-K235 HydrophobicContact CD1-CG 3.96Å; D205-K235 WeakPolarHBondContact O-CE 3.39Å; D205-K235 PolarHBondContact O-NZ 3.44Å; D205-K235 IonicContact OD1-NZ 3.15Å; D205-K235 PolarHBondContact OD1-NZ 3.02Å; D205-K235 IonicContact OD2-NZ 3.16Å; R207-K235 WeakPolarHBondContact O-CD 3.48Å; R207-K235 WeakPolarHBondContact O-CE 3.23Å; R207-K235 PolarHBondContact O-NZ 2.99Å; L208-K235 HydrophobicContact CD2-CB 4.39Å; L208-K235 HydrophobicContact CD2-CD 4.3Å; A231-K235 PolarHBondContact O-N 3.26Å; A231-K235 VanDerWaalsContact O-N 3.09Å; L232-K235 WeakPolarHBondContact O-CB 3.44Å; L232-K235 PolarHBondContact O-N 2.97Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 2.82Å; K235-Y237 VanDerWaalsContact C-N 3.31Å; K235-Y237 PolarHBondContact O-N 3.13Å; K235-A238 WeakPolarHBondContact O-CB 3.38Å; K235-A238 PolarHBondContact O-N 3.17Å; K235-K239 PolarHBondContact O-N 3.02Å; K235-Y244 WeakPolarHBondContact CA-OH 3.28Å; K235-Y244 WeakPolarHBondContact CB-OH 3.48Å; K235-Y244 HydrophobicContact CG-CE2 4.32Å; K235-Y244 WeakPolarHBondContact CG-OH 3.16Å
236	A	97.6	Very high	93.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.8	-37.2	179.9	0	0	0	0	0	111.7	F191 F193 V202 I204 L232 L233 E234 K239 L240	F191-A236 HydrophobicContact CB-CB 3.82Å; F191-A236 HydrophobicContact CD2-CB 3.31Å; F191-A236 HydrophobicContact CE2-CB 4.05Å; F191-A236 HydrophobicContact CG-CB 3.72Å; F193-A236 HydrophobicContact CE2-CB 3.92Å; F193-A236 HydrophobicContact CZ-CB 4.12Å; V202-A236 HydrophobicContact CG1-CB 4.11Å; I204-A236 HydrophobicContact CD1-CB 4.15Å; I204-A236 HydrophobicContact CG1-CB 4.5Å; I204-A236 HydrophobicContact CG2-CB 4.05Å; L232-A236 PolarHBondContact O-N 3.01Å; L233-A236 PolarHBondContact O-N 3.12Å; L233-A236 VanDerWaalsContact O-N 3.1Å; E234-A236 PolarHBondContact O-N 3.47Å; A236-K239 WeakPolarHBondContact O-CB 3.48Å; A236-K239 PolarHBondContact O-N 2.88Å; A236-L240 PolarHBondContact O-N 2.86Å
237	Y	95.4	Very high	93.5	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-71.3	-35.4	175.6	-161	-109.1	0	0	0	112.3	W155 L156 F193 L233 E234 K235 L240 N241 L247 D258	W155-Y237 AromaticContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CZ2-CE1 4.48Å; W155-Y237 HydrophobicContact CZ3-CE1 4.21Å; L156-Y237 HydrophobicContact CD1-CD1 3.91Å; L156-Y237 HydrophobicContact CD1-CE1 3.87Å; L156-Y237 HydrophobicContact CD1-CG 4.29Å; L156-Y237 HydrophobicContact CD2-CD1 3.52Å; L156-Y237 HydrophobicContact CD2-CE1 4.1Å; L156-Y237 HydrophobicContact CD2-CG 4.14Å; L156-Y237 HydrophobicContact CG-CD1 4.31Å; L156-Y237 HydrophobicContact CG-CE1 4.5Å; F193-Y237 AromaticContact CD1-CD2 3.56Å; F193-Y237 HydrophobicContact CD1-CD2 3.56Å; F193-Y237 HydrophobicContact CD1-CE2 4.02Å; F193-Y237 HydrophobicContact CD2-CD2 4.48Å; F193-Y237 AromaticContact CE1-CD2 3.45Å; F193-Y237 HydrophobicContact CE1-CD2 3.45Å; F193-Y237 VanDerWaalsContact CE1-CD2 3.45Å; F193-Y237 HydrophobicContact CE1-CE2 4.3Å; F193-Y237 HydrophobicContact CE1-CG 4.2Å; F193-Y237 HydrophobicContact CE2-CD2 4.38Å; F193-Y237 HydrophobicContact CG-CD2 4.1Å; F193-Y237 AromaticContact CZ-CD2 3.88Å; F193-Y237 HydrophobicContact CZ-CD2 3.88Å; F193-Y237 HydrophobicContact CZ-CG 4.37Å; L233-Y237 PolarHBondContact O-N 3.48Å; E234-Y237 PolarHBondContact O-N 3.28Å; K235-Y237 VanDerWaalsContact C-N 3.31Å; K235-Y237 PolarHBondContact O-N 3.13Å; Y237-L240 HydrophobicContact CD2-CD2 4.02Å; Y237-L240 HydrophobicContact CE2-CD2 4.04Å; Y237-L240 WeakPolarHBondContact O-CB 3.28Å; Y237-L240 PolarHBondContact O-N 3Å; Y237-N241 WeakPolarHBondContact CE1-ND2 3.46Å; Y237-N241 PolarHBondContact O-N 3.33Å; Y237-N241 VanDerWaalsContact O-N 3.1Å; Y237-N241 PolarHBondContact O-ND2 2.93Å; Y237-L247 HydrophobicContact CD1-CD1 4.3Å; Y237-L247 HydrophobicContact CD1-CD2 3.57Å; Y237-L247 HydrophobicContact CE1-CD2 3.95Å; Y237-D258 HydrophobicContact CE2-CB 3.94Å; Y237-D258 PolarHBondContact OH-OD2 3.47Å
238	A	94.2	Very high	93	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-43.4	169.8	0	0	0	0	0	111.3	F105 E234 K235 N241 G242 C243 Y244 L247	F105-A238 HydrophobicContact CZ-CB 3.99Å; E234-A238 WeakPolarHBondContact O-CB 3.15Å; E234-A238 PolarHBondContact O-N 2.99Å; K235-A238 WeakPolarHBondContact O-CB 3.38Å; K235-A238 PolarHBondContact O-N 3.17Å; A238-N241 CarbonylContact O-C 3.52Å; A238-N241 PolarHBondContact O-N 3.33Å; A238-G242 CarbonylContact O-C 3.56Å; A238-G242 PolarHBondContact O-N 3.43Å; A238-C243 PolarHBondContact O-N 3.28Å; A238-Y244 HydrophobicContact CB-CD1 3.8Å; A238-Y244 HydrophobicContact CB-CD2 4.07Å; A238-Y244 HydrophobicContact CB-CE1 4.12Å; A238-Y244 HydrophobicContact CB-CE2 4.36Å; A238-Y244 HydrophobicContact CB-CG 3.81Å; A238-L247 HydrophobicContact CB-CD1 3.86Å; A238-L247 HydrophobicContact CB-CG 4.34Å
239	K	94.5	Very high	92	Very high	38 Å²	38	18.5 Å²	18.5	17%	0.165	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-47.2	173.2	173.1	173.7	-179	169.2	0	112	D102 D104 F105 V202 L203 I204 K235 A236 N241 G242	D102-K239 IonicContact OD1-NZ 4Å; D102-K239 PolarHBondContact OD1-NZ 2.82Å; D102-K239 WeakPolarHBondContact OD2-CD 3.18Å; D102-K239 WeakPolarHBondContact OD2-CE 3.41Å; D102-K239 IonicContact OD2-NZ 2.58Å; D102-K239 PolarHBondContact OD2-NZ 3.15Å; D104-K239 IonicContact OD2-NZ 3.82Å; F105-K239 HydrophobicContact CB-CB 4.1Å; F105-K239 HydrophobicContact CB-CD 3.69Å; F105-K239 HydrophobicContact CB-CG 3.81Å; F105-K239 HydrophobicContact CD1-CB 4.1Å; F105-K239 HydrophobicContact CD2-CB 3.72Å; F105-K239 HydrophobicContact CD2-CG 3.99Å; F105-K239 HydrophobicContact CE1-CB 4.43Å; F105-K239 VanDerWaalsContact CE2-CA 3.49Å; F105-K239 HydrophobicContact CE2-CB 4.09Å; F105-K239 HydrophobicContact CG-CB 3.72Å; F105-K239 HydrophobicContact CG-CD 4.28Å; F105-K239 HydrophobicContact CG-CG 3.96Å; F105-K239 HydrophobicContact CZ-CB 4.43Å; V202-K239 HydrophobicContact CG1-CB 4.41Å; V202-K239 HydrophobicContact CG1-CD 3.9Å; V202-K239 HydrophobicContact CG1-CG 4.22Å; L203-K239 WeakPolarHBondContact O-CD 3.3Å; L203-K239 PolarHBondContact O-NZ 3.49Å; I204-K239 HydrophobicContact CG2-CB 4.24Å; I204-K239 HydrophobicContact CG2-CD 3.79Å; K235-K239 PolarHBondContact O-N 3.02Å; A236-K239 WeakPolarHBondContact O-CB 3.48Å; A236-K239 PolarHBondContact O-N 2.88Å; K239-N241 PolarHBondContact O-N 3.48Å; K239-G242 PolarHBondContact O-N 2.96Å; K239-G242 VanDerWaalsContact O-N 3.14Å
240	L	89.5	Confident	91.1	Very high	46 Å²	46	20.5 Å²	20.5	24%	0.241	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-34.8	178.9	-175	68.1	0	0	0	112.1	F193 R195 V202 A236 Y237	F193-L240 HydrophobicContact CB-CD2 3.57Å; F193-L240 HydrophobicContact CD2-CD2 3.73Å; F193-L240 HydrophobicContact CG-CD2 3.69Å; R195-L240 HydrophobicContact CG-CD1 4.38Å; R195-L240 HydrophobicContact CG-CD2 4.46Å; V202-L240 HydrophobicContact CG2-CD1 4.04Å; A236-L240 PolarHBondContact O-N 2.86Å; Y237-L240 HydrophobicContact CD2-CD2 4.02Å; Y237-L240 HydrophobicContact CE2-CD2 4.04Å; Y237-L240 WeakPolarHBondContact O-CB 3.28Å; Y237-L240 PolarHBondContact O-N 3Å
241	N	85.4	Confident	90.6	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-98.8	1.9	-179.2	-69.1	-74.8	0	0	0	114.2	Y237 A238 K239 H246 L247	Y237-N241 WeakPolarHBondContact CE1-ND2 3.46Å; Y237-N241 PolarHBondContact O-N 3.33Å; Y237-N241 VanDerWaalsContact O-N 3.1Å; Y237-N241 PolarHBondContact O-ND2 2.93Å; A238-N241 CarbonylContact O-C 3.52Å; A238-N241 PolarHBondContact O-N 3.33Å; K239-N241 PolarHBondContact O-N 3.48Å; N241-H246 HydrophobicContact CB-CB 4.49Å; N241-H246 PolarHBondContact O-ND1 3Å; N241-L247 HydrophobicContact CB-CD2 4.06Å
242	G	86.7	Confident	90.1	Very high	44 Å²	44	22.2 Å²	22.2	45%	0.454	15%	0.154	S	C	.	.	S	Bend	trans	100.8	-34.3	173.5	0	0	0	0	0	116.4	F105 A238 K239	F105-G242 WeakPolarHBondContact CE2-O 3.45Å; A238-G242 CarbonylContact O-C 3.56Å; A238-G242 PolarHBondContact O-N 3.43Å; K239-G242 PolarHBondContact O-N 2.96Å; K239-G242 VanDerWaalsContact O-N 3.14Å
243	C	90.8	Very high	89.8	Confident	8 Å²	8	23.4 Å²	23.4	5%	0.054	16%	0.162	C	C	.	.	S	Bend	trans	-166.2	167.4	173	66.9	0	0	0	0	111.7	A111 A238 A245 H246	A111-C243 CarbonylContact O-C 3.53Å; A111-C243 WeakPolarHBondContact O-CA 3.44Å; A111-C243 VanDerWaalsContact O-CB 3.31Å; A111-C243 WeakPolarHBondContact O-CB 2.66Å; A238-C243 PolarHBondContact O-N 3.28Å; C243-A245 VanDerWaalsContact C-N 3.32Å; C243-A245 PolarHBondContact O-N 3.43Å; C243-H246 PolarHBondContact O-N 3.38Å; C243-H246 VanDerWaalsContact SG-CG 3.51Å
244	Y	93.6	Very high	89.2	Confident	1 Å²	1	25 Å²	25	0%	0.004	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.1	-38.5	176.4	-82.4	-81.1	0	0	0	112.5	F105 A111 I112 W124 L151 P209 F219 E234 K235 A238 H246 L247	F105-Y244 HydrophobicContact CE1-CE2 4.32Å; F105-Y244 HydrophobicContact CZ-CD2 4.39Å; A111-Y244 WeakPolarHBondContact O-CD2 3.42Å; A111-Y244 PolarHBondContact O-N 3.01Å; I112-Y244 HydrophobicContact CD1-CD2 4.11Å; W124-Y244 AromaticContact CH2-CE2 3.97Å; W124-Y244 HydrophobicContact CH2-CE2 3.97Å; L151-Y244 HydrophobicContact CD1-CD1 3.6Å; L151-Y244 HydrophobicContact CD1-CG 4.28Å; P209-Y244 HydrophobicContact CG-CE2 4.26Å; F219-Y244 HydrophobicContact CB-CE1 4.39Å; F219-Y244 AromaticContact CD2-CD1 3.46Å; F219-Y244 HydrophobicContact CD2-CD1 3.46Å; F219-Y244 VanDerWaalsContact CD2-CD1 3.46Å; F219-Y244 HydrophobicContact CD2-CD2 4.25Å; F219-Y244 AromaticContact CD2-CE1 3.41Å; F219-Y244 HydrophobicContact CD2-CE1 3.41Å; F219-Y244 VanDerWaalsContact CD2-CE1 3.41Å; F219-Y244 HydrophobicContact CD2-CE2 4.21Å; F219-Y244 AromaticContact CD2-CG 3.87Å; F219-Y244 HydrophobicContact CD2-CG 3.87Å; F219-Y244 AromaticContact CD2-CZ 3.78Å; F219-Y244 AromaticContact CE2-CD1 3.63Å; F219-Y244 HydrophobicContact CE2-CD1 3.63Å; F219-Y244 AromaticContact CE2-CD2 3.78Å; F219-Y244 HydrophobicContact CE2-CD2 3.78Å; F219-Y244 AromaticContact CE2-CE1 3.94Å; F219-Y244 HydrophobicContact CE2-CE1 3.94Å; F219-Y244 HydrophobicContact CE2-CE2 4.09Å; F219-Y244 AromaticContact CE2-CG 3.51Å; F219-Y244 HydrophobicContact CE2-CG 3.51Å; F219-Y244 HydrophobicContact CG-CD1 4.17Å; F219-Y244 HydrophobicContact CG-CE1 4.2Å; F219-Y244 HydrophobicContact CZ-CD1 4.45Å; F219-Y244 HydrophobicContact CZ-CG 4.22Å; E234-Y244 HydrophobicContact CG-CD1 4.42Å; E234-Y244 HydrophobicContact CG-CE1 3.98Å; E234-Y244 WeakPolarHBondContact OE2-CE1 3.24Å; K235-Y244 WeakPolarHBondContact CA-OH 3.28Å; K235-Y244 WeakPolarHBondContact CB-OH 3.48Å; K235-Y244 HydrophobicContact CG-CE2 4.32Å; K235-Y244 WeakPolarHBondContact CG-OH 3.16Å; A238-Y244 HydrophobicContact CB-CD1 3.8Å; A238-Y244 HydrophobicContact CB-CD2 4.07Å; A238-Y244 HydrophobicContact CB-CE1 4.12Å; A238-Y244 HydrophobicContact CB-CE2 4.36Å; A238-Y244 HydrophobicContact CB-CG 3.81Å; Y244-H246 PolarHBondContact O-N 2.93Å; Y244-H246 VanDerWaalsContact O-N 3.17Å; Y244-L247 WeakPolarHBondContact O-CB 3.3Å; Y244-L247 PolarHBondContact O-N 3.17Å
245	A	88.9	Confident	89	Confident	15 Å²	15	24.9 Å²	24.9	12%	0.124	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-59.8	-27.7	178.9	0	0	0	0	0	113.6	I112 N114 L115 C243 L247 S248	I112-A245 WeakPolarHBondContact O-CB 3.41Å; I112-A245 PolarHBondContact O-N 3.38Å; N114-A245 WeakPolarHBondContact O-CB 3.35Å; L115-A245 HydrophobicContact CD2-CB 3.84Å; L115-A245 HydrophobicContact CG-CB 3.97Å; C243-A245 VanDerWaalsContact C-N 3.32Å; C243-A245 PolarHBondContact O-N 3.43Å; A245-L247 PolarHBondContact O-N 3.28Å; A245-S248 PolarHBondContact O-N 2.92Å
246	H	85.2	Confident	88.8	Confident	106 Å²	106	24.9 Å²	24.9	49%	0.491	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-74.3	-7.3	176.5	-67.5	165.4	0	0	0	113.9	N241 C243 Y244	N241-H246 HydrophobicContact CB-CB 4.49Å; N241-H246 PolarHBondContact O-ND1 3Å; C243-H246 PolarHBondContact O-N 3.38Å; C243-H246 VanDerWaalsContact SG-CG 3.51Å; Y244-H246 PolarHBondContact O-N 2.93Å; Y244-H246 VanDerWaalsContact O-N 3.17Å
247	L	89	Confident	88.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-86.6	-17.1	174.5	-54.7	-171	0	0	0	112.7	D153 W155 L156 E234 Y237 A238 N241 Y244 A245 G249	D153-L247 HydrophobicContact CB-CB 4.05Å; D153-L247 WeakPolarHBondContact CB-O 3.39Å; W155-L247 PolarHBondContact NE1-O 3.29Å; L156-L247 HydrophobicContact CD2-CD1 4.46Å; E234-L247 HydrophobicContact CG-CD1 4.13Å; Y237-L247 HydrophobicContact CD1-CD1 4.3Å; Y237-L247 HydrophobicContact CD1-CD2 3.57Å; Y237-L247 HydrophobicContact CE1-CD2 3.95Å; A238-L247 HydrophobicContact CB-CD1 3.86Å; A238-L247 HydrophobicContact CB-CG 4.34Å; N241-L247 HydrophobicContact CB-CD2 4.06Å; Y244-L247 WeakPolarHBondContact O-CB 3.3Å; Y244-L247 PolarHBondContact O-N 3.17Å; A245-L247 PolarHBondContact O-N 3.28Å; L247-G249 PolarHBondContact O-N 2.79Å
248	S	84.8	Confident	88.4	Confident	50 Å²	50	25.3 Å²	25.3	35%	0.35	17%	0.171	S	C	.	.	S	Bend	trans	-69.1	111.8	175.9	-67.4	0	0	0	0	110.4	L151 A245	L151-S248 WeakPolarHBondContact CD2-OG 3.45Å; A245-S248 PolarHBondContact O-N 2.92Å
249	G	76.7	Confident	88.5	Confident	47 Å²	47	25.3 Å²	25.3	49%	0.485	17%	0.171	S	C	.	.	S	Bend	trans	82.2	126.2	-174.5	0	0	0	0	0	113.2	G152 L247	G152-G249 PolarHBondContact O-N 3.45Å; L247-G249 PolarHBondContact O-N 2.79Å
250	G	77.2	Confident	88.4	Confident	42 Å²	42	23.6 Å²	23.6	43%	0.433	16%	0.163	S	C	.	.			trans	-179.9	179.2	179.7	0	0	0	0	0	110.8
251	S	83.8	Confident	88.5	Confident	35 Å²	35	21.4 Å²	21.4	25%	0.245	15%	0.152	C	C	.	.			trans	-110.1	149.5	176.3	66.5	0	0	0	0	110.8	S253 E254	S251-S253 VanDerWaalsContact CB-OG 3.3Å; S251-S253 WeakPolarHBondContact CB-OG 3.12Å; S251-S253 PolarHBondContact O-N 3.34Å; S251-S253 PolarHBondContact OG-OG 3.49Å; S251-E254 PolarHBondContact O-N 2.69Å; S251-E254 WeakPolarHBondContact OG-CG 3.47Å; S251-E254 PolarHBondContact OG-N 3.5Å
252	Q	88.6	Confident	88.9	Confident	4 Å²	4	20 Å²	20	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-28.4	177.2	-46.2	-175.6	34.6	0	0	110.6	W155 V159 E254 A255 M256 C294 A314 Y315 E392	W155-Q252 HydrophobicContact CB-CG 4.35Å; V159-Q252 HydrophobicContact CG2-CB 4.03Å; Q252-E254 VanDerWaalsContact C-N 3.31Å; Q252-E254 PolarHBondContact O-N 2.96Å; Q252-A255 PolarHBondContact O-N 3.2Å; Q252-M256 HydrophobicContact CB-CE 4.04Å; Q252-M256 WeakPolarHBondContact O-CB 3.21Å; Q252-M256 VanDerWaalsContact O-CG 3.24Å; Q252-M256 WeakPolarHBondContact O-CG 3.31Å; Q252-M256 PolarHBondContact O-N 3.28Å; Q252-C294 PolarHBondContact NE2-O 3.18Å; Q252-C294 VanDerWaalsContact NE2-O 3.13Å; Q252-A314 HydrophobicContact CG-CB 3.71Å; Q252-A314 VanDerWaalsContact NE2-CB 3.26Å; Q252-Y315 PolarHBondContact NE2-O 2.96Å; Q252-Y315 PolarHBondContact OE1-O 3.05Å; Q252-E392 WeakPolarHBondContact CA-OE2 3.34Å; Q252-E392 WeakPolarHBondContact CB-OE2 3.16Å; Q252-E392 WeakPolarHBondContact CG-OE2 3.35Å; Q252-E392 PolarHBondContact N-OE2 3.27Å; Q252-E392 VanDerWaalsContact N-OE2 3.11Å
253	S	89.9	Confident	89.3	Confident	24 Å²	24	18 Å²	18	17%	0.168	12%	0.123	C	C	.	.	H	α-helix	trans	-52.4	-45.8	172.5	40	0	0	0	0	113	S251 M256 E257 C264 E392	S251-S253 VanDerWaalsContact CB-OG 3.3Å; S251-S253 WeakPolarHBondContact CB-OG 3.12Å; S251-S253 PolarHBondContact O-N 3.34Å; S251-S253 PolarHBondContact OG-OG 3.49Å; S253-M256 PolarHBondContact O-N 3.4Å; S253-E257 WeakPolarHBondContact O-CG 3.22Å; S253-E257 PolarHBondContact O-N 3.47Å; S253-C264 VanDerWaalsContact CA-SG 3.59Å; S253-C264 PolarHBondContact O-SG 2.74Å; S253-C264 VanDerWaalsContact O-SG 3.33Å; S253-E392 VanDerWaalsContact CB-OE1 3.22Å; S253-E392 WeakPolarHBondContact CB-OE1 3.25Å; S253-E392 PolarHBondContact N-OE1 2.97Å; S253-E392 PolarHBondContact N-OE2 3.02Å; S253-E392 PolarHBondContact OG-OE1 3.11Å
254	E	86.1	Confident	89.4	Confident	34 Å²	34	17.8 Å²	17.8	16%	0.159	12%	0.122	C	C	.	.	H	α-helix	trans	-62.4	-45.5	177.3	-76.1	-175.5	-178.2	0	0	111.7	W155 S251 Q252 D258 R472	W155-E254 HydrophobicContact CZ3-CB 4.19Å; S251-E254 PolarHBondContact O-N 2.69Å; S251-E254 WeakPolarHBondContact OG-CG 3.47Å; S251-E254 PolarHBondContact OG-N 3.5Å; Q252-E254 VanDerWaalsContact C-N 3.31Å; Q252-E254 PolarHBondContact O-N 2.96Å; E254-D258 WeakPolarHBondContact O-CB 3.17Å; E254-D258 VanDerWaalsContact O-CG 3.31Å; E254-D258 PolarHBondContact O-N 3.29Å; E254-R472 IonicContact OE1-NH1 3.9Å; E254-R472 PolarHBondContact OE1-NH1 3Å; E254-R472 IonicContact OE2-NH1 2.99Å; E254-R472 PolarHBondContact OE2-NH1 2.77Å
255	A	92.3	Very high	89.5	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-41	177.9	0	0	0	0	0	112.1	W155 L156 V159 Q252 D258 L259	W155-A255 HydrophobicContact CE3-CB 3.55Å; W155-A255 HydrophobicContact CZ3-CB 3.65Å; L156-A255 HydrophobicContact CD1-CB 4.14Å; V159-A255 HydrophobicContact CB-CB 3.99Å; V159-A255 HydrophobicContact CG1-CB 4.41Å; V159-A255 HydrophobicContact CG2-CB 3.75Å; Q252-A255 PolarHBondContact O-N 3.2Å; A255-D258 PolarHBondContact O-N 2.71Å; A255-L259 HydrophobicContact CB-CD1 4.43Å; A255-L259 WeakPolarHBondContact O-CB 3.24Å; A255-L259 WeakPolarHBondContact O-CG 3.28Å; A255-L259 PolarHBondContact O-N 3.39Å
256	M	94.7	Very high	89.6	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-44.8	177.4	-73.9	-177.9	-170.9	0	0	110.9	V159 Q252 S253 T260 L291 C394	V159-M256 HydrophobicContact CB-CG 4.36Å; V159-M256 HydrophobicContact CG1-CB 4.39Å; V159-M256 HydrophobicContact CG1-CG 3.81Å; V159-M256 HydrophobicContact CG2-CE 4.1Å; V159-M256 HydrophobicContact CG2-CG 3.54Å; Q252-M256 HydrophobicContact CB-CE 4.04Å; Q252-M256 WeakPolarHBondContact O-CB 3.21Å; Q252-M256 VanDerWaalsContact O-CG 3.24Å; Q252-M256 WeakPolarHBondContact O-CG 3.31Å; Q252-M256 PolarHBondContact O-N 3.28Å; S253-M256 PolarHBondContact O-N 3.4Å; M256-T260 VanDerWaalsContact O-CB 3.29Å; M256-T260 WeakPolarHBondContact O-CB 3.46Å; M256-T260 WeakPolarHBondContact O-CG2 3.32Å; M256-T260 PolarHBondContact O-N 3.49Å; M256-T260 PolarHBondContact O-OG1 3.07Å; M256-L291 HydrophobicContact CE-CB 4.39Å; M256-L291 HydrophobicContact SD-CB 4.16Å; M256-C394 HydrophobicContact CB-CB 3.69Å; M256-C394 HydrophobicContact CG-CB 4.03Å; M256-C394 HydrophobicContact SD-CB 3.39Å; M256-C394 WeakPolarHBondContact SD-CB 3.44Å
257	E	92.9	Very high	90	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-50.5	174.6	-76.3	164.9	-155	0	0	111.9	S253 L259 T260 G261 G262 M467 E518	S253-E257 WeakPolarHBondContact O-CG 3.22Å; S253-E257 PolarHBondContact O-N 3.47Å; E257-L259 VanDerWaalsContact C-N 3.28Å; E257-L259 PolarHBondContact O-N 3.49Å; E257-T260 PolarHBondContact O-N 3.32Å; E257-G261 WeakPolarHBondContact O-CA 3.49Å; E257-G261 PolarHBondContact O-N 3.19Å; E257-G262 WeakPolarHBondContact CG-O 3.45Å; E257-M467 WeakPolarHBondContact OE2-CE 3.31Å; E257-E518 VanDerWaalsContact CD-OE2 3.3Å; E257-E518 VanDerWaalsContact OE1-OE2 3.1Å
258	D	91.9	Very high	90.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.2	-25.9	-175.2	-71.8	-10	0	0	0	112.8	F193 W194 R195 Y237 E254 A255 R517	F193-D258 CarbonylContact C-O 3.52Å; F193-D258 WeakPolarHBondContact CA-O 3.28Å; W194-D258 PolarHBondContact N-O 2.93Å; W194-D258 WeakPolarHBondContact O-CA 3.3Å; R195-D258 IonicContact CZ-OD1 3.29Å; R195-D258 VanDerWaalsContact NH1-CG 3.29Å; R195-D258 IonicContact NH1-OD1 3.39Å; R195-D258 PolarHBondContact NH1-OD1 3.18Å; R195-D258 IonicContact NH1-OD2 3.96Å; R195-D258 PolarHBondContact NH1-OD2 3.1Å; Y237-D258 HydrophobicContact CE2-CB 3.94Å; Y237-D258 PolarHBondContact OH-OD2 3.47Å; E254-D258 WeakPolarHBondContact O-CB 3.17Å; E254-D258 VanDerWaalsContact O-CG 3.31Å; E254-D258 PolarHBondContact O-N 3.29Å; A255-D258 PolarHBondContact O-N 2.71Å; D258-R517 IonicContact OD1-CZ 3.57Å; D258-R517 IonicContact OD1-NH1 2.59Å; D258-R517 PolarHBondContact OD1-NH1 3.23Å; D258-R517 IonicContact OD1-NH2 2.64Å; D258-R517 PolarHBondContact OD1-NH2 3.41Å; D258-R517 IonicContact OD2-NH1 3.74Å
259	L	95.3	Very high	90.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-96.3	-13.7	-179.6	-66.9	172.1	0	0	0	113.9	L156 V159 V160 I163 V173 F193 A255 E257	L156-L259 HydrophobicContact CD1-CD1 3.85Å; V159-L259 HydrophobicContact CB-CD1 3.96Å; V159-L259 HydrophobicContact CG1-CB 4.29Å; V159-L259 HydrophobicContact CG1-CD1 3.55Å; V160-L259 HydrophobicContact CG2-CD1 3.7Å; I163-L259 HydrophobicContact CD1-CB 4.06Å; I163-L259 HydrophobicContact CD1-CD1 4.42Å; I163-L259 HydrophobicContact CD1-CD2 4.41Å; V173-L259 HydrophobicContact CG1-CD2 3.77Å; V173-L259 HydrophobicContact CG2-CB 4.32Å; V173-L259 HydrophobicContact CG2-CD2 4.05Å; V173-L259 WeakPolarHBondContact CG2-O 3.24Å; F193-L259 HydrophobicContact CD1-CD2 3.79Å; F193-L259 HydrophobicContact CE1-CD2 3.73Å; A255-L259 HydrophobicContact CB-CD1 4.43Å; A255-L259 WeakPolarHBondContact O-CB 3.24Å; A255-L259 WeakPolarHBondContact O-CG 3.28Å; A255-L259 PolarHBondContact O-N 3.39Å; E257-L259 VanDerWaalsContact C-N 3.28Å; E257-L259 PolarHBondContact O-N 3.49Å
260	T	93.9	Very high	91.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-133.2	-12.2	-175.1	75.2	0	0	0	0	114.7	I163 L169 M256 E257 G262 L291 L396 S400	I163-T260 HydrophobicContact CG2-CG2 3.79Å; L169-T260 HydrophobicContact CD1-CG2 4.34Å; M256-T260 VanDerWaalsContact O-CB 3.29Å; M256-T260 WeakPolarHBondContact O-CB 3.46Å; M256-T260 WeakPolarHBondContact O-CG2 3.32Å; M256-T260 PolarHBondContact O-N 3.49Å; M256-T260 PolarHBondContact O-OG1 3.07Å; E257-T260 PolarHBondContact O-N 3.32Å; T260-G262 PolarHBondContact O-N 3Å; T260-G262 VanDerWaalsContact O-N 3.08Å; T260-G262 PolarHBondContact OG1-N 3.45Å; T260-G262 VanDerWaalsContact OG1-N 3.14Å; T260-L291 HydrophobicContact CG2-CD1 3.82Å; T260-L396 HydrophobicContact CG2-CD2 4.18Å; T260-L396 WeakPolarHBondContact OG1-CD2 3.48Å; T260-S400 WeakPolarHBondContact O-CA 3.39Å; T260-S400 WeakPolarHBondContact O-CB 3.38Å; T260-S400 PolarHBondContact O-OG 3.46Å
261	G	91.6	Very high	92.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.			trans	65.4	3.4	-170.7	0	0	0	0	0	114.9	W194 E257 R548	W194-G261 VanDerWaalsContact CG-CA 3.41Å; E257-G261 WeakPolarHBondContact O-CA 3.49Å; E257-G261 PolarHBondContact O-N 3.19Å; G261-R548 PolarHBondContact O-NH1 3.28Å
262	G	93.3	Very high	92.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.			trans	-70	179	176.4	0	0	0	0	0	112.9	E257 T260 H395 S400 R548	E257-G262 WeakPolarHBondContact CG-O 3.45Å; T260-G262 PolarHBondContact O-N 3Å; T260-G262 VanDerWaalsContact O-N 3.08Å; T260-G262 PolarHBondContact OG1-N 3.45Å; T260-G262 VanDerWaalsContact OG1-N 3.14Å; G262-H395 CarbonylContact C-O 3.5Å; G262-H395 WeakPolarHBondContact CA-O 3.35Å; G262-S400 PolarHBondContact N-OG 3.44Å; G262-R548 PolarHBondContact O-NH1 2.92Å
263	I	94.1	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.6	178.3	-179.8	166.7	0	0	0	110.2	C394 H395 L463 G465 T520 R548 F550	I263-C394 CarbonylContact O-C 3.57Å; I263-C394 WeakPolarHBondContact O-CA 3.29Å; I263-H395 HydrophobicContact CG2-CB 3.96Å; I263-H395 PolarHBondContact N-O 2.75Å; I263-H395 PolarHBondContact O-N 2.87Å; I263-L463 HydrophobicContact CB-CD2 4.46Å; I263-L463 HydrophobicContact CD1-CD2 4.41Å; I263-L463 HydrophobicContact CD1-CG 4.01Å; I263-L463 HydrophobicContact CG1-CD2 4.22Å; I263-L463 HydrophobicContact CG1-CG 4.33Å; I263-L463 HydrophobicContact CG2-CD2 3.5Å; I263-L463 HydrophobicContact CG2-CG 4.15Å; I263-G465 VanDerWaalsContact CD1-CA 3.45Å; I263-G465 VanDerWaalsContact CD1-N 3.3Å; I263-T520 HydrophobicContact CD1-CG2 4.17Å; I263-T520 HydrophobicContact CG1-CG2 4Å; I263-R548 HydrophobicContact CD1-CB 4.34Å; I263-F550 HydrophobicContact CB-CD2 4.38Å; I263-F550 HydrophobicContact CB-CE1 4.49Å; I263-F550 HydrophobicContact CB-CE2 4.15Å; I263-F550 HydrophobicContact CB-CZ 4.21Å; I263-F550 HydrophobicContact CG2-CB 4.31Å; I263-F550 HydrophobicContact CG2-CD1 3.53Å; I263-F550 HydrophobicContact CG2-CD2 3.68Å; I263-F550 HydrophobicContact CG2-CE1 3.59Å; I263-F550 HydrophobicContact CG2-CE2 3.78Å; I263-F550 HydrophobicContact CG2-CG 3.58Å; I263-F550 HydrophobicContact CG2-CZ 3.74Å
264	C	94.5	Very high	93.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.9	-172.8	-68	0	0	0	0	112.6	S253 V393 C394 T520	S253-C264 VanDerWaalsContact CA-SG 3.59Å; S253-C264 PolarHBondContact O-SG 2.74Å; S253-C264 VanDerWaalsContact O-SG 3.33Å; C264-V393 CarbonylContact C-O 3.54Å; C264-V393 WeakPolarHBondContact CA-O 3.29Å; C264-C394 WeakPolarHBondContact SG-CB 3.39Å; C264-C394 VanDerWaalsContact SG-SG 3.6Å; C264-T520 WeakPolarHBondContact O-CG2 3.36Å; C264-T520 PolarHBondContact O-OG1 3.49Å
265	L	94	Very high	93.5	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.9	168.4	178.8	67.5	0	0	0	109.6	L267 E392 V393 Q522	L265-L267 HydrophobicContact CD2-CD2 3.91Å; L265-L267 HydrophobicContact CG-CD2 4.11Å; L265-E392 CarbonylContact O-C 3.56Å; L265-E392 WeakPolarHBondContact O-CA 3.5Å; L265-V393 PolarHBondContact N-O 2.89Å; L265-V393 PolarHBondContact O-N 2.93Å; L265-Q522 HydrophobicContact CD2-CB 4.24Å; L265-Q522 VanDerWaalsContact CD2-OE1 3.23Å
266	S	92.5	Very high	93.5	Very high	55 Å²	55	44.7 Å²	44.7	39%	0.385	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	172.6	-176.4	0	0	0	0	111.2	R390	S266-R390 VanDerWaalsContact OG-CD 3.23Å; S266-R390 WeakPolarHBondContact OG-CD 3.48Å; S266-R390 WeakPolarHBondContact OG-CG 3.44Å
267	L	93.7	Very high	93.4	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.1	175.8	-55.6	175.1	0	0	0	108.9	L265 L278 Y285 R390 V391 V393	L265-L267 HydrophobicContact CD2-CD2 3.91Å; L265-L267 HydrophobicContact CG-CD2 4.11Å; L267-L278 HydrophobicContact CD1-CD1 4.1Å; L267-Y285 HydrophobicContact CD1-CE2 3.85Å; L267-R390 CarbonylContact O-C 3.59Å; L267-R390 WeakPolarHBondContact O-CA 3.15Å; L267-V391 HydrophobicContact CB-CB 4.34Å; L267-V391 PolarHBondContact N-O 3.08Å; L267-V391 PolarHBondContact O-N 2.99Å; L267-V393 HydrophobicContact CD1-CG2 4.21Å
268	E	94.6	Very high	93.5	Very high	48 Å²	48	47.4 Å²	47.4	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.4	174.2	-67.8	-61.8	143.8	0	0	110.4	E273 R274 R390	E268-E273 HydrophobicContact CB-CB 3.82Å; E268-R274 VanDerWaalsContact O-CA 3.22Å; E268-R274 WeakPolarHBondContact O-CA 3.1Å; E268-R390 IonicContact OE1-CZ 3.26Å; E268-R390 IonicContact OE1-NE 3.04Å; E268-R390 PolarHBondContact OE1-NE 2.66Å; E268-R390 IonicContact OE1-NH2 3.23Å; E268-R390 PolarHBondContact OE1-NH2 2.7Å; E268-R390 IonicContact OE2-NH2 3.08Å
269	L	96.7	Very high	93.7	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.249	C	C	.	.			trans	-98.9	-8.5	-178.4	-62.4	-177.1	0	0	0	113.1	L278 F384 V385 F388 S389 V391	L269-L278 HydrophobicContact CD2-CD1 4.28Å; L269-L278 HydrophobicContact CD2-CD2 3.31Å; L269-L278 HydrophobicContact CD2-CG 4.44Å; L269-F384 HydrophobicContact CD1-CD1 4.39Å; L269-F384 HydrophobicContact CD1-CE1 3.85Å; L269-F384 HydrophobicContact CD1-CZ 4.06Å; L269-V385 HydrophobicContact CD2-CG1 4.5Å; L269-F388 WeakPolarHBondContact CB-O 3.49Å; L269-F388 HydrophobicContact CD1-CB 3.56Å; L269-F388 WeakPolarHBondContact CD1-O 3.31Å; L269-S389 WeakPolarHBondContact CB-O 3.47Å; L269-S389 PolarHBondContact N-O 3.42Å; L269-V391 HydrophobicContact CD1-CG2 3.84Å; L269-V391 HydrophobicContact CD2-CG2 3.96Å; L269-V391 HydrophobicContact CG-CG2 4.11Å
270	N	93.7	Very high	93.6	Very high	57 Å²	57	52.4 Å²	52.4	31%	0.305	27%	0.27	S	S	.	.	S	Bend	trans	-60.4	148.8	176.6	77.3	70.8	0	0	0	111.2	K272 E273 R274	N270-K272 PolarHBondContact O-N 3.04Å; N270-K272 WeakPolarHBondContact OD1-CB 3.42Å; N270-K272 PolarHBondContact OD1-N 3.41Å; N270-K272 VanDerWaalsContact OD1-N 3.08Å; N270-E273 PolarHBondContact ND2-OE2 2.88Å; N270-E273 PolarHBondContact O-N 3.49Å; N270-E273 PolarHBondContact OD1-N 3.12Å; N270-R274 WeakPolarHBondContact O-CB 3.35Å; N270-R274 PolarHBondContact O-N 3.44Å
271	Q	90.9	Very high	93.6	Very high	178 Å²	178	54.1 Å²	54.1	83%	0.832	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.4	-171.4	-173.2	176.2	5.9	0	0	114.4
272	K	92.8	Very high	93.8	Very high	192 Å²	192	54.1 Å²	54.1	84%	0.835	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-37.6	-175.9	-175.1	-174	174.6	-166.9	0	112.4	N270	N270-K272 PolarHBondContact O-N 3.04Å; N270-K272 WeakPolarHBondContact OD1-CB 3.42Å; N270-K272 PolarHBondContact OD1-N 3.41Å; N270-K272 VanDerWaalsContact OD1-N 3.08Å
273	E	92.9	Very high	93.8	Very high	113 Å²	113	56.1 Å²	56.1	53%	0.528	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-17	-171.4	-65.2	176.2	112.4	0	0	113.3	E268 N270	E268-E273 HydrophobicContact CB-CB 3.82Å; N270-E273 PolarHBondContact ND2-OE2 2.88Å; N270-E273 PolarHBondContact O-N 3.49Å; N270-E273 PolarHBondContact OD1-N 3.12Å
274	R	94.9	Very high	93.6	Very high	84 Å²	84	59 Å²	59	32%	0.317	30%	0.301	S	S	.	.	S	Bend	trans	-58.7	126.7	-179.8	-179.3	179.3	58.8	166.8	-3.2	112.5	E268 N270 L278	E268-R274 VanDerWaalsContact O-CA 3.22Å; E268-R274 WeakPolarHBondContact O-CA 3.1Å; N270-R274 WeakPolarHBondContact O-CB 3.35Å; N270-R274 PolarHBondContact O-N 3.44Å; R274-L278 HydrophobicContact CG-CB 4.39Å; R274-L278 HydrophobicContact CG-CD2 3.89Å
275	P	92.1	Very high	93.5	Very high	33 Å²	33	59 Å²	59	21%	0.214	30%	0.301	C	S	.	.			trans	-58.5	137.3	173	-23.2	32.9	0	0	0	112.1	D277 L278	P275-D277 WeakPolarHBondContact CB-OD1 3.31Å; P275-D277 PolarHBondContact O-N 3.1Å; P275-L278 HydrophobicContact CB-CB 4.48Å; P275-L278 WeakPolarHBondContact O-CB 3.43Å; P275-L278 PolarHBondContact O-N 3.16Å
276	S	92.5	Very high	93.4	Very high	128 Å²	128	59.5 Å²	59.5	90%	0.895	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.1	179.1	49.6	0	0	0	0	113.3
277	D	92.2	Very high	93.1	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.364	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	17	-179.2	63.4	-40.6	0	0	0	112.7	P275 I279 D280 Q281	P275-D277 WeakPolarHBondContact CB-OD1 3.31Å; P275-D277 PolarHBondContact O-N 3.1Å; D277-I279 VanDerWaalsContact C-N 3.29Å; D277-I279 PolarHBondContact O-N 3.44Å; D277-I279 VanDerWaalsContact O-N 3.14Å; D277-D280 WeakPolarHBondContact O-CB 3.31Å; D277-D280 PolarHBondContact O-N 2.93Å; D277-Q281 VanDerWaalsContact CG-NE2 3.31Å; D277-Q281 PolarHBondContact O-N 3.29Å; D277-Q281 VanDerWaalsContact O-N 3.09Å; D277-Q281 PolarHBondContact OD1-NE2 3.21Å; D277-Q281 VanDerWaalsContact OD1-NE2 3.16Å; D277-Q281 PolarHBondContact OD2-NE2 3.44Å
278	L	95.9	Very high	92.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-49.1	-45.3	-174.8	173	68.5	0	0	0	113.5	L267 L269 R274 P275 D280 Q281 L282 Y381 V385	L267-L278 HydrophobicContact CD1-CD1 4.1Å; L269-L278 HydrophobicContact CD2-CD1 4.28Å; L269-L278 HydrophobicContact CD2-CD2 3.31Å; L269-L278 HydrophobicContact CD2-CG 4.44Å; R274-L278 HydrophobicContact CG-CB 4.39Å; R274-L278 HydrophobicContact CG-CD2 3.89Å; P275-L278 HydrophobicContact CB-CB 4.48Å; P275-L278 WeakPolarHBondContact O-CB 3.43Å; P275-L278 PolarHBondContact O-N 3.16Å; L278-D280 VanDerWaalsContact C-N 3.26Å; L278-D280 PolarHBondContact O-N 3.37Å; L278-Q281 PolarHBondContact O-N 3.34Å; L278-L282 HydrophobicContact CD1-CD1 4.18Å; L278-L282 HydrophobicContact CD1-CD2 4.43Å; L278-L282 HydrophobicContact CD1-CG 4.02Å; L278-L282 HydrophobicContact CG-CD1 4.03Å; L278-L282 HydrophobicContact CG-CG 4.26Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 2.88Å; L278-Y381 HydrophobicContact CD2-CE2 3.96Å; L278-Y381 HydrophobicContact CG-CE2 4.24Å; L278-V385 HydrophobicContact CD2-CG1 3.73Å
279	I	96.4	Very high	92.6	Very high	24 Å²	24	62 Å²	62	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-34.4	-179.3	-171.4	48.4	0	0	0	112.1	D277 K283 V320 W331 M333 Y381	D277-I279 VanDerWaalsContact C-N 3.29Å; D277-I279 PolarHBondContact O-N 3.44Å; D277-I279 VanDerWaalsContact O-N 3.14Å; I279-K283 VanDerWaalsContact O-CE 3.3Å; I279-K283 WeakPolarHBondContact O-CE 3.12Å; I279-K283 VanDerWaalsContact O-CG 3.26Å; I279-K283 WeakPolarHBondContact O-CG 3.39Å; I279-K283 PolarHBondContact O-N 3.3Å; I279-V320 HydrophobicContact CD1-CG1 4.15Å; I279-W331 HydrophobicContact CD1-CB 3.89Å; I279-W331 HydrophobicContact CD1-CD2 4.09Å; I279-W331 HydrophobicContact CD1-CE3 4.29Å; I279-W331 HydrophobicContact CD1-CG 3.89Å; I279-W331 HydrophobicContact CG1-CB 4.27Å; I279-W331 HydrophobicContact CG1-CD2 4.14Å; I279-W331 HydrophobicContact CG1-CG 3.87Å; I279-M333 HydrophobicContact CD1-CE 3.93Å; I279-Y381 HydrophobicContact CB-CD2 4.24Å; I279-Y381 HydrophobicContact CB-CE1 4.16Å; I279-Y381 HydrophobicContact CB-CE2 3.85Å; I279-Y381 HydrophobicContact CD1-CD2 3.73Å; I279-Y381 HydrophobicContact CD1-CE2 4.16Å; I279-Y381 HydrophobicContact CD1-CG 4.04Å; I279-Y381 HydrophobicContact CG1-CD2 4.28Å; I279-Y381 HydrophobicContact CG1-CE2 4.4Å; I279-Y381 HydrophobicContact CG1-CG 4.36Å
280	D	92.9	Very high	92.5	Very high	81 Å²	81	62.3 Å²	62.3	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-72.6	-38.8	177.3	-62.2	-43.8	0	0	0	110.8	D277 L278 K283 I284	D277-D280 WeakPolarHBondContact O-CB 3.31Å; D277-D280 PolarHBondContact O-N 2.93Å; L278-D280 VanDerWaalsContact C-N 3.26Å; L278-D280 PolarHBondContact O-N 3.37Å; D280-K283 WeakPolarHBondContact O-CB 3.28Å; D280-K283 PolarHBondContact O-N 3.23Å; D280-K283 IonicContact OD1-NZ 2.74Å; D280-K283 PolarHBondContact OD1-NZ 2.8Å; D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.17Å; D280-I284 VanDerWaalsContact O-N 3.16Å
281	Q	92.7	Very high	92.5	Very high	36 Å²	36	60 Å²	60	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-46.1	172.3	-62.1	-175.2	12.1	0	0	112.1	D277 L278 K283 I284 Y285	D277-Q281 VanDerWaalsContact CG-NE2 3.31Å; D277-Q281 PolarHBondContact O-N 3.29Å; D277-Q281 VanDerWaalsContact O-N 3.09Å; D277-Q281 PolarHBondContact OD1-NE2 3.21Å; D277-Q281 VanDerWaalsContact OD1-NE2 3.16Å; D277-Q281 PolarHBondContact OD2-NE2 3.44Å; L278-Q281 PolarHBondContact O-N 3.34Å; Q281-K283 VanDerWaalsContact C-N 3.27Å; Q281-K283 PolarHBondContact O-N 3.15Å; Q281-I284 WeakPolarHBondContact O-CB 3.12Å; Q281-I284 PolarHBondContact O-N 2.82Å; Q281-Y285 HydrophobicContact CB-CD2 4.39Å; Q281-Y285 HydrophobicContact CB-CE2 3.75Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.36Å; Q281-Y285 PolarHBondContact O-N 2.91Å
282	L	96.2	Very high	92.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-34.6	178.3	-71.3	178.3	0	0	0	112.5	L278 Y285 A286 M292 L317 V320 M333 Y381 F384 V391	L278-L282 HydrophobicContact CD1-CD1 4.18Å; L278-L282 HydrophobicContact CD1-CD2 4.43Å; L278-L282 HydrophobicContact CD1-CG 4.02Å; L278-L282 HydrophobicContact CG-CD1 4.03Å; L278-L282 HydrophobicContact CG-CG 4.26Å; L278-L282 WeakPolarHBondContact O-CG 3.45Å; L278-L282 PolarHBondContact O-N 2.88Å; L282-Y285 HydrophobicContact CD2-CD2 4.38Å; L282-A286 VanDerWaalsContact O-CB 3.28Å; L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 2.86Å; L282-M292 HydrophobicContact CD2-SD 4.41Å; L282-L317 HydrophobicContact CD2-CD2 4.08Å; L282-V320 HydrophobicContact CB-CG1 4.47Å; L282-V320 HydrophobicContact CB-CG2 4.1Å; L282-M333 HydrophobicContact CD1-SD 4.23Å; L282-Y381 HydrophobicContact CD1-CE2 4.38Å; L282-F384 HydrophobicContact CD1-CE1 4.25Å; L282-V391 HydrophobicContact CD2-CG1 4.21Å
283	K	93.1	Very high	92.8	Very high	43 Å²	43	43 Å²	43	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-45.6	172.4	-68	164.9	-149.9	172.8	0	111.4	I279 D280 Q281 A286 Q287 V320 W331	I279-K283 VanDerWaalsContact O-CE 3.3Å; I279-K283 WeakPolarHBondContact O-CE 3.12Å; I279-K283 VanDerWaalsContact O-CG 3.26Å; I279-K283 WeakPolarHBondContact O-CG 3.39Å; I279-K283 PolarHBondContact O-N 3.3Å; D280-K283 WeakPolarHBondContact O-CB 3.28Å; D280-K283 PolarHBondContact O-N 3.23Å; D280-K283 IonicContact OD1-NZ 2.74Å; D280-K283 PolarHBondContact OD1-NZ 2.8Å; Q281-K283 VanDerWaalsContact C-N 3.27Å; Q281-K283 PolarHBondContact O-N 3.15Å; K283-A286 PolarHBondContact O-N 2.76Å; K283-Q287 WeakPolarHBondContact O-CG 3.4Å; K283-Q287 PolarHBondContact O-N 2.79Å; K283-Q287 VanDerWaalsContact O-N 3.15Å; K283-V320 HydrophobicContact CG-CG1 4.06Å; K283-W331 HydrophobicContact CD-CH2 3.46Å; K283-W331 VanDerWaalsContact CD-CH2 3.46Å; K283-W331 HydrophobicContact CD-CZ2 3.83Å; K283-W331 HydrophobicContact CD-CZ3 3.84Å; K283-W331 VanDerWaalsContact CE-CE2 3.41Å; K283-W331 HydrophobicContact CG-CE3 4.38Å; K283-W331 HydrophobicContact CG-CH2 3.9Å; K283-W331 HydrophobicContact CG-CZ3 3.74Å; K283-W331 VanDerWaalsContact NZ-CZ2 3.25Å
284	I	90.1	Very high	93	Very high	59 Å²	59	37.7 Å²	37.7	30%	0.303	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-47.8	178.2	-68.1	167.8	0	0	0	109.7	D280 Q281 A286 Q287 R288	D280-I284 WeakPolarHBondContact O-CG1 3.38Å; D280-I284 PolarHBondContact O-N 3.17Å; D280-I284 VanDerWaalsContact O-N 3.16Å; Q281-I284 WeakPolarHBondContact O-CB 3.12Å; Q281-I284 PolarHBondContact O-N 2.82Å; I284-A286 PolarHBondContact O-N 3.05Å; I284-Q287 CarbonylContact O-C 3.51Å; I284-Q287 WeakPolarHBondContact O-CA 3.34Å; I284-Q287 PolarHBondContact O-N 3.15Å; I284-R288 HydrophobicContact CG2-CG 4.28Å; I284-R288 WeakPolarHBondContact O-CG 3.05Å; I284-R288 PolarHBondContact O-N 2.82Å
285	Y	92.9	Very high	93	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-43	176.4	-58.5	-42.5	0	0	0	112	L267 Q281 L282 Q287 R288 C290 M292 V393 H395 Q522	L267-Y285 HydrophobicContact CD1-CE2 3.85Å; Q281-Y285 HydrophobicContact CB-CD2 4.39Å; Q281-Y285 HydrophobicContact CB-CE2 3.75Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.36Å; Q281-Y285 PolarHBondContact O-N 2.91Å; L282-Y285 HydrophobicContact CD2-CD2 4.38Å; Y285-Q287 PolarHBondContact O-N 2.88Å; Y285-R288 PolarHBondContact O-N 2.82Å; Y285-C290 PolarHBondContact O-SG 3.44Å; Y285-M292 VanDerWaalsContact CB-SD 3.59Å; Y285-V393 HydrophobicContact CD1-CG1 3.88Å; Y285-V393 HydrophobicContact CD2-CG1 4.17Å; Y285-V393 HydrophobicContact CD2-CG2 3.87Å; Y285-V393 HydrophobicContact CE1-CG1 4.35Å; Y285-V393 HydrophobicContact CE2-CG2 4.11Å; Y285-V393 HydrophobicContact CG-CG1 3.8Å; Y285-V393 HydrophobicContact CG-CG2 4.35Å; Y285-H395 AromaticContact CD1-CE1 3.86Å; Y285-H395 AromaticContact CE1-CE1 3.72Å; Y285-H395 AromaticContact CE1-NE2 3.76Å; Y285-Q522 PolarHBondContact OH-OE1 3.17Å
286	A	90.8	Very high	93.1	Very high	26 Å²	26	33.5 Å²	33.5	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-19.4	174.5	0	0	0	0	0	113.5	L282 K283 I284 M292 V320 K410	L282-A286 VanDerWaalsContact O-CB 3.28Å; L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 2.86Å; K283-A286 PolarHBondContact O-N 2.76Å; I284-A286 PolarHBondContact O-N 3.05Å; A286-M292 HydrophobicContact CB-CE 4.14Å; A286-V320 HydrophobicContact CB-CB 3.96Å; A286-V320 HydrophobicContact CB-CG2 4.12Å; A286-K410 WeakPolarHBondContact O-CE 3.47Å; A286-K410 PolarHBondContact O-NZ 3.36Å
287	Q	87	Confident	93	Very high	145 Å²	145	31.6 Å²	31.6	68%	0.678	16%	0.163	S	C	*	.	H	α-helix	trans	-98.3	-15.5	174.8	-67.6	174.7	-3.8	0	0	113.8	K283 I284 Y285 K410	K283-Q287 WeakPolarHBondContact O-CG 3.4Å; K283-Q287 PolarHBondContact O-N 2.79Å; K283-Q287 VanDerWaalsContact O-N 3.15Å; I284-Q287 CarbonylContact O-C 3.51Å; I284-Q287 WeakPolarHBondContact O-CA 3.34Å; I284-Q287 PolarHBondContact O-N 3.15Å; Y285-Q287 PolarHBondContact O-N 2.88Å; Q287-K410 VanDerWaalsContact O-CD 3.25Å; Q287-K410 WeakPolarHBondContact O-CD 3.49Å; Q287-K410 WeakPolarHBondContact O-CE 3.41Å; Q287-K410 WeakPolarHBondContact O-CG 3.48Å
288	R	88.3	Confident	92.9	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.091	16%	0.156	C	C	.	.	S	Bend	trans	-92.1	165.1	179.2	-73	-179.1	-177.4	174.8	8.5	112.7	I284 Y285 C290 K410 D452 D455 S461	I284-R288 HydrophobicContact CG2-CG 4.28Å; I284-R288 WeakPolarHBondContact O-CG 3.05Å; I284-R288 PolarHBondContact O-N 2.82Å; Y285-R288 PolarHBondContact O-N 2.82Å; R288-C290 PolarHBondContact O-N 2.83Å; R288-K410 WeakPolarHBondContact O-CD 3.37Å; R288-K410 PolarHBondContact O-NZ 3.44Å; R288-D452 IonicContact NH2-OD2 3.72Å; R288-D455 IonicContact NH2-OD2 3.77Å; R288-S461 PolarHBondContact NH1-OG 3.19Å; R288-S461 PolarHBondContact NH2-OG 2.92Å
289	C	89.9	Confident	92.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	20%	0.199	C	C	.	.	S	Bend	trans	-76.1	68	177.8	-172.4	0	0	0	0	110.6	L396 F407 K410 R411	C289-L396 WeakPolarHBondContact O-CB 3.13Å; C289-L396 WeakPolarHBondContact O-CG 3.26Å; C289-L396 PolarHBondContact O-N 3.14Å; C289-F407 HydrophobicContact CB-CB 4.38Å; C289-F407 WeakPolarHBondContact SG-CB 3.45Å; C289-K410 HydrophobicContact CB-CB 4.13Å; C289-R411 WeakPolarHBondContact CB-O 3.39Å
290	C	93.4	Very high	91.8	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.054	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.8	179	60.4	0	0	0	0	112.8	Y285 R288 V393 C394	Y285-C290 PolarHBondContact O-SG 3.44Å; R288-C290 PolarHBondContact O-N 2.83Å; C290-V393 HydrophobicContact CB-CG1 4.01Å; C290-C394 CarbonylContact C-O 3.59Å; C290-C394 WeakPolarHBondContact CA-O 3.45Å; C290-C394 WeakPolarHBondContact CB-O 3.29Å
291	L	94.3	Very high	91.3	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	147.7	164	-58.2	175.7	0	0	0	108.9	I163 Y166 M256 T260 V393 C394 F407	I163-L291 HydrophobicContact CG2-CD1 3.81Å; Y166-L291 HydrophobicContact CE2-CD2 4.26Å; M256-L291 HydrophobicContact CE-CB 4.39Å; M256-L291 HydrophobicContact SD-CB 4.16Å; T260-L291 HydrophobicContact CG2-CD1 3.82Å; L291-V393 CarbonylContact O-C 3.56Å; L291-V393 WeakPolarHBondContact O-CA 3.48Å; L291-C394 HydrophobicContact CB-CB 4.26Å; L291-C394 PolarHBondContact N-O 3.14Å; L291-C394 PolarHBondContact O-N 3.33Å; L291-F407 HydrophobicContact CD2-CE2 3.94Å; L291-F407 HydrophobicContact CD2-CZ 3.56Å
292	M	95.4	Very high	90.9	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.069	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138	174.9	-62.7	179.9	-73.9	0	0	110.6	L282 Y285 A286 L317 E392 V393	L282-M292 HydrophobicContact CD2-SD 4.41Å; Y285-M292 VanDerWaalsContact CB-SD 3.59Å; A286-M292 HydrophobicContact CB-CE 4.14Å; M292-L317 HydrophobicContact CB-CB 3.85Å; M292-L317 HydrophobicContact CB-CD2 4.22Å; M292-L317 HydrophobicContact CB-CG 4.25Å; M292-L317 WeakPolarHBondContact CB-O 3.48Å; M292-L317 HydrophobicContact CE-CD2 4.44Å; M292-L317 HydrophobicContact CE-CG 4.39Å; M292-L317 PolarHBondContact O-N 3.47Å; M292-L317 HydrophobicContact SD-CD2 4.08Å; M292-E392 CarbonylContact C-O 3.57Å; M292-E392 VanDerWaalsContact CA-O 3.32Å; M292-E392 WeakPolarHBondContact CA-O 3.34Å; M292-V393 HydrophobicContact CG-CB 4.5Å; M292-V393 HydrophobicContact CG-CG1 4.13Å; M292-V393 HydrophobicContact CG-CG2 4.17Å
293	G	95.5	Very high	90.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	161.5	175.6	0	0	0	0	0	110.2	Y315 V391 E392	G293-Y315 CarbonylContact C-O 3.58Å; G293-Y315 VanDerWaalsContact CA-O 3.25Å; G293-Y315 WeakPolarHBondContact CA-O 3.23Å; G293-V391 CarbonylContact O-C 3.49Å; G293-V391 WeakPolarHBondContact O-CA 3.35Å; G293-V391 WeakPolarHBondContact O-CG1 3.5Å; G293-E392 PolarHBondContact N-O 3.19Å; G293-E392 PolarHBondContact O-N 2.87Å
294	C	96.1	Very high	90.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.6	174.9	55.2	0	0	0	0	111.3	Q252 Y315 L335 F384 F388 R390 V391	Q252-C294 PolarHBondContact NE2-O 3.18Å; Q252-C294 VanDerWaalsContact NE2-O 3.13Å; C294-Y315 PolarHBondContact N-O 3.15Å; C294-Y315 PolarHBondContact O-N 2.72Å; C294-L335 WeakPolarHBondContact SG-CD2 3.24Å; C294-F384 HydrophobicContact CB-CE2 4.16Å; C294-F384 HydrophobicContact CB-CZ 4.21Å; C294-F388 HydrophobicContact CB-CD1 3.81Å; C294-F388 HydrophobicContact CB-CE1 4.28Å; C294-F388 VanDerWaalsContact SG-CE1 3.58Å; C294-R390 WeakPolarHBondContact CA-O 2.88Å; C294-R390 WeakPolarHBondContact CB-O 3.23Å; C294-V391 HydrophobicContact CB-CG2 4.29Å
295	S	94.9	Very high	90.7	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161	-178.7	63.9	0	0	0	0	112	H313 S389 R390	S295-H313 WeakPolarHBondContact CB-O 3.42Å; S295-S389 PolarHBondContact O-N 2.67Å; S295-R390 PolarHBondContact N-O 2.97Å; S295-R390 VanDerWaalsContact N-O 3.15Å; S295-R390 PolarHBondContact O-N 2.98Å
296	I	94.7	Very high	90.7	Very high	10 Å²	10	57 Å²	57	5%	0.051	31%	0.305	C	S	.	.			trans	-112.8	124.4	174.3	-54.6	173.4	0	0	0	107	S298 M305 L309 S312 F388	I296-S298 PolarHBondContact O-N 2.99Å; I296-M305 HydrophobicContact CD1-SD 4.26Å; I296-M305 HydrophobicContact CG2-SD 4.26Å; I296-L309 HydrophobicContact CD1-CB 3.66Å; I296-L309 HydrophobicContact CD1-CD1 3.85Å; I296-L309 HydrophobicContact CD1-CG 4.32Å; I296-S312 WeakPolarHBondContact O-CA 3.07Å; I296-S312 PolarHBondContact O-N 3.42Å; I296-F388 HydrophobicContact CD1-CD1 4.48Å; I296-F388 HydrophobicContact CD1-CE1 4.24Å; I296-F388 HydrophobicContact CD1-CZ 4.29Å; I296-F388 HydrophobicContact CG1-CD1 3.73Å; I296-F388 HydrophobicContact CG1-CE1 3.88Å; I296-F388 HydrophobicContact CG1-CG 4.13Å; I296-F388 HydrophobicContact CG1-CZ 4.38Å
297	D	91.3	Very high	90.8	Very high	89 Å²	89	57.9 Å²	57.9	48%	0.476	31%	0.306	S	S	.	.			trans	-71.5	131	176.5	-62.6	-31.7	0	0	0	109.7	S389 R390	D297-S389 WeakPolarHBondContact CB-OG 3.45Å; D297-S389 PolarHBondContact N-OG 3.23Å; D297-S389 VanDerWaalsContact OD2-CB 3.24Å; D297-S389 WeakPolarHBondContact OD2-CB 3.35Å; D297-S389 PolarHBondContact OD2-OG 3.11Å; D297-R390 IonicContact OD1-CZ 3.15Å; D297-R390 IonicContact OD1-NH1 3.19Å; D297-R390 PolarHBondContact OD1-NH1 2.98Å; D297-R390 VanDerWaalsContact OD1-NH1 3.15Å; D297-R390 IonicContact OD1-NH2 2.91Å; D297-R390 PolarHBondContact OD1-NH2 3.17Å; D297-R390 IonicContact OD2-NH2 3.56Å; D297-R390 PolarHBondContact OD2-NH2 3.1Å
298	S	89.7	Confident	91.1	Very high	31 Å²	31	51.1 Å²	51.1	22%	0.217	28%	0.275	C	S	.	.			trans	-145.5	146.6	172.8	175.8	0	0	0	0	110.5	I296 V300 Q303	I296-S298 PolarHBondContact O-N 2.99Å; S298-V300 PolarHBondContact O-N 3.15Å; S298-V300 PolarHBondContact OG-N 2.8Å; S298-V300 VanDerWaalsContact OG-N 3.08Å; S298-V300 PolarHBondContact OG-O 3.04Å; S298-Q303 PolarHBondContact OG-OE1 3.33Å
299	S	85.5	Confident	91.4	Very high	127 Å²	127	50 Å²	50	89%	0.888	27%	0.271	S	S	*	.	S	Bend	trans	-74.6	-13	172.5	60.5	0	0	0	0	113.2
300	V	84.1	Confident	91.5	Very high	77 Å²	77	49.9 Å²	49.9	47%	0.467	27%	0.27	S	S	.	.	S	Bend	trans	-111.5	125.4	178.9	178.1	0	0	0	0	107.8	S298 E302 Q303	S298-V300 PolarHBondContact O-N 3.15Å; S298-V300 PolarHBondContact OG-N 2.8Å; S298-V300 VanDerWaalsContact OG-N 3.08Å; S298-V300 PolarHBondContact OG-O 3.04Å; V300-E302 PolarHBondContact O-N 3.45Å; V300-Q303 HydrophobicContact CB-CB 3.99Å; V300-Q303 HydrophobicContact CB-CG 4.27Å; V300-Q303 HydrophobicContact CG1-CB 4.2Å; V300-Q303 HydrophobicContact CG1-CG 4.49Å; V300-Q303 PolarHBondContact O-N 3.19Å
301	M	81.5	Confident	91.4	Very high	123 Å²	123	49.5 Å²	49.5	61%	0.606	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.5	176	-170.3	173.4	78.5	0	0	109.6	Q303	M301-Q303 VanDerWaalsContact C-N 3.28Å; M301-Q303 PolarHBondContact O-N 3.12Å
302	E	85.2	Confident	91.2	Very high	46 Å²	46	51.7 Å²	51.7	22%	0.215	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.7	177.4	-62	174	171.9	0	0	114	Q148 V300 K304 I310 G311 W339	Q148-E302 PolarHBondContact NE2-OE1 3.38Å; V300-E302 PolarHBondContact O-N 3.45Å; E302-K304 PolarHBondContact O-N 2.94Å; E302-K304 VanDerWaalsContact O-N 3.08Å; E302-I310 HydrophobicContact CB-CG2 4.05Å; E302-G311 CarbonylContact C-O 3.5Å; E302-G311 WeakPolarHBondContact CA-O 3.23Å; E302-G311 PolarHBondContact N-O 2.78Å; E302-W339 HydrophobicContact CB-CH2 4.13Å; E302-W339 HydrophobicContact CB-CZ2 4.33Å; E302-W339 VanDerWaalsContact CD-CZ2 3.49Å; E302-W339 HydrophobicContact CG-CH2 4.29Å; E302-W339 HydrophobicContact CG-CZ2 3.98Å
303	Q	89.7	Confident	91	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	108.8	-178.7	-171.3	-174.6	7.4	0	0	111.5	S298 V300 M301 M305 I310 G311	S298-Q303 PolarHBondContact OG-OE1 3.33Å; V300-Q303 HydrophobicContact CB-CB 3.99Å; V300-Q303 HydrophobicContact CB-CG 4.27Å; V300-Q303 HydrophobicContact CG1-CB 4.2Å; V300-Q303 HydrophobicContact CG1-CG 4.49Å; V300-Q303 PolarHBondContact O-N 3.19Å; M301-Q303 VanDerWaalsContact C-N 3.28Å; M301-Q303 PolarHBondContact O-N 3.12Å; Q303-M305 PolarHBondContact O-N 3.48Å; Q303-I310 CarbonylContact O-C 3.54Å; Q303-I310 VanDerWaalsContact O-CA 3.31Å; Q303-I310 WeakPolarHBondContact O-CA 3.27Å; Q303-G311 PolarHBondContact N-O 3.28Å; Q303-G311 PolarHBondContact O-N 3.17Å
304	K	91.4	Very high	90.8	Very high	126 Å²	126	51.3 Å²	51.3	55%	0.548	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.7	171.9	-58.7	-173.9	-179.5	-163.6	0	110.7	E302 H343	E302-K304 PolarHBondContact O-N 2.94Å; E302-K304 VanDerWaalsContact O-N 3.08Å; K304-H343 PolarHBondContact NZ-CE1 3.03Å; K304-H343 VanDerWaalsContact NZ-CE1 3.33Å; K304-H343 PolarHBondContact NZ-NE2 2.66Å
305	M	92.8	Very high	90.7	Very high	67 Å²	67	51.3 Å²	51.3	33%	0.33	28%	0.282	S	S	.	.			trans	-102.9	156.2	-178.1	-55.8	175.4	74.4	0	0	111.2	I296 Q303 N307 G308 L309	I296-M305 HydrophobicContact CD1-SD 4.26Å; I296-M305 HydrophobicContact CG2-SD 4.26Å; Q303-M305 PolarHBondContact O-N 3.48Å; M305-N307 VanDerWaalsContact CB-OD1 3.25Å; M305-N307 WeakPolarHBondContact CB-OD1 3.24Å; M305-N307 PolarHBondContact O-N 3.43Å; M305-G308 PolarHBondContact O-N 3.06Å; M305-L309 VanDerWaalsContact CB-O 3.28Å; M305-L309 WeakPolarHBondContact CB-O 3.36Å; M305-L309 PolarHBondContact N-O 3.16Å
306	D	92.7	Very high	90.6	Very high	170 Å²	170	50.4 Å²	50.4	91%	0.909	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-27.3	-178.1	-68	-26.5	0	0	0	113.3	G308	D306-G308 PolarHBondContact O-N 3.3Å
307	N	94.1	Very high	90.6	Very high	44 Å²	44	50.2 Å²	50.2	24%	0.235	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.1	176	67.2	2.5	0	0	0	113.7	M305 L309 W345 K346	M305-N307 VanDerWaalsContact CB-OD1 3.25Å; M305-N307 WeakPolarHBondContact CB-OD1 3.24Å; M305-N307 PolarHBondContact O-N 3.43Å; N307-L309 WeakPolarHBondContact OD1-CB 3.46Å; N307-L309 PolarHBondContact OD1-N 2.9Å; N307-W345 HydrophobicContact CB-CE3 4.18Å; N307-W345 HydrophobicContact CB-CZ3 3.67Å; N307-K346 WeakPolarHBondContact O-CB 3.41Å; N307-K346 PolarHBondContact O-N 3.26Å
308	G	92.9	Very high	90.6	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.031	26%	0.264	C	S	.	.	S	Bend	trans	91.3	-14.5	179.3	0	0	0	0	0	115.1	M305 D306 H343 E344	M305-G308 PolarHBondContact O-N 3.06Å; D306-G308 PolarHBondContact O-N 3.3Å; G308-H343 CarbonylContact O-C 3.37Å; G308-E344 CarbonylContact C-O 3.6Å; G308-E344 WeakPolarHBondContact CA-O 3.41Å
309	L	94.2	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.			trans	-77.2	166.9	175.2	-57.5	174.5	0	0	0	111.1	I296 M305 N307 Y315 W345 F377 C387 F388	I296-L309 HydrophobicContact CD1-CB 3.66Å; I296-L309 HydrophobicContact CD1-CD1 3.85Å; I296-L309 HydrophobicContact CD1-CG 4.32Å; M305-L309 VanDerWaalsContact CB-O 3.28Å; M305-L309 WeakPolarHBondContact CB-O 3.36Å; M305-L309 PolarHBondContact N-O 3.16Å; N307-L309 WeakPolarHBondContact OD1-CB 3.46Å; N307-L309 PolarHBondContact OD1-N 2.9Å; L309-Y315 HydrophobicContact CD2-CE1 4.42Å; L309-W345 HydrophobicContact CD1-CE3 3.76Å; L309-W345 HydrophobicContact CD1-CZ3 4.01Å; L309-W345 HydrophobicContact CD2-CB 4.23Å; L309-W345 HydrophobicContact CD2-CE3 4.41Å; L309-W345 HydrophobicContact CG-CE3 3.91Å; L309-F377 HydrophobicContact CD2-CE1 4.5Å; L309-F377 HydrophobicContact CD2-CE2 3.9Å; L309-F377 HydrophobicContact CD2-CZ 3.63Å; L309-C387 HydrophobicContact CD1-CB 3.77Å; L309-F388 HydrophobicContact CD1-CE2 3.89Å; L309-F388 HydrophobicContact CD1-CZ 4.29Å; L309-F388 HydrophobicContact CD2-CE2 4.48Å; L309-F388 HydrophobicContact CD2-CZ 4.3Å
310	I	92.3	Very high	91.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.1	-177.6	-50.8	-177.9	0	0	0	108.3	E302 Q303 H313 Y315 W339 H343	E302-I310 HydrophobicContact CB-CG2 4.05Å; Q303-I310 CarbonylContact O-C 3.54Å; Q303-I310 VanDerWaalsContact O-CA 3.31Å; Q303-I310 WeakPolarHBondContact O-CA 3.27Å; I310-H313 HydrophobicContact CB-CB 3.84Å; I310-H313 HydrophobicContact CG2-CB 3.71Å; I310-H313 WeakPolarHBondContact O-CB 3.12Å; I310-Y315 WeakPolarHBondContact CA-OH 3.33Å; I310-Y315 VanDerWaalsContact CB-OH 3.28Å; I310-Y315 WeakPolarHBondContact CB-OH 3.41Å; I310-Y315 PolarHBondContact N-OH 3.22Å; I310-Y315 PolarHBondContact O-OH 2.85Å; I310-W339 HydrophobicContact CD1-CD2 4.38Å; I310-W339 HydrophobicContact CD1-CE3 3.6Å; I310-W339 HydrophobicContact CD1-CH2 3.63Å; I310-W339 HydrophobicContact CD1-CZ2 4.39Å; I310-W339 HydrophobicContact CD1-CZ3 3.17Å; I310-W339 HydrophobicContact CG2-CH2 4.47Å; I310-H343 HydrophobicContact CD1-CB 3.84Å; I310-H343 HydrophobicContact CG1-CB 4.28Å
311	G	91.9	Very high	91.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	151.3	173.1	0	0	0	0	0	112.4	E302 Q303 H313	E302-G311 CarbonylContact C-O 3.5Å; E302-G311 WeakPolarHBondContact CA-O 3.23Å; E302-G311 PolarHBondContact N-O 2.78Å; Q303-G311 PolarHBondContact N-O 3.28Å; Q303-G311 PolarHBondContact O-N 3.17Å; G311-H313 PolarHBondContact O-N 3.26Å
312	S	89.3	Confident	92.4	Very high	55 Å²	55	38.3 Å²	38.3	39%	0.385	20%	0.2	S	C	.	.	S	Bend	trans	52.7	45.3	-172.6	-158.7	0	0	0	0	111.6	I296	I296-S312 WeakPolarHBondContact O-CA 3.07Å; I296-S312 PolarHBondContact O-N 3.42Å
313	H	91.3	Very high	92.9	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.014	19%	0.191	C	C	.	.			trans	-138.4	147.1	-177.7	-170.1	49.4	0	0	0	111.3	C154 S295 I310 G311 Y315 N337 W339	C154-H313 VanDerWaalsContact CB-CE1 3.48Å; C154-H313 WeakPolarHBondContact CB-CE1 3.36Å; C154-H313 VanDerWaalsContact CB-ND1 3.32Å; C154-H313 WeakPolarHBondContact CB-ND1 3.32Å; C154-H313 PolarHBondContact SG-ND1 3.1Å; C154-H313 VanDerWaalsContact SG-ND1 3.36Å; S295-H313 WeakPolarHBondContact CB-O 3.42Å; I310-H313 HydrophobicContact CB-CB 3.84Å; I310-H313 HydrophobicContact CG2-CB 3.71Å; I310-H313 WeakPolarHBondContact O-CB 3.12Å; G311-H313 PolarHBondContact O-N 3.26Å; H313-Y315 HydrophobicContact CB-CE2 4.06Å; H313-Y315 AromaticContact CD2-CE2 3.69Å; H313-Y315 AromaticContact CD2-CZ 3.61Å; H313-N337 PolarHBondContact NE2-OD1 2.84Å; H313-W339 AromaticContact CE1-CD1 3.81Å; H313-W339 AromaticContact CE1-CE2 3.5Å; H313-W339 AromaticContact CE1-CZ2 3.91Å; H313-W339 AromaticContact CE1-NE1 3.26Å; H313-W339 PolarHBondContact CE1-NE1 2.73Å; H313-W339 VanDerWaalsContact CE1-NE1 3.26Å; H313-W339 AromaticContact NE2-CE2 3.93Å; H313-W339 AromaticContact NE2-NE1 3.91Å
314	A	91.6	Very high	93.2	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	-176.4	0	0	0	0	0	111.5	C154 W155 A158 Q252 P338	C154-A314 HydrophobicContact CB-CB 4.43Å; W155-A314 HydrophobicContact CB-CB 4.38Å; A158-A314 HydrophobicContact CB-CB 3.99Å; Q252-A314 HydrophobicContact CG-CB 3.71Å; Q252-A314 VanDerWaalsContact NE2-CB 3.26Å; A314-P338 WeakPolarHBondContact O-CD 3.19Å; A314-P338 WeakPolarHBondContact O-CG 3.4Å
315	Y	93.5	Very high	93.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149	173.4	-61.7	-101.4	0	0	0	110	Q252 G293 C294 L309 I310 H313 R336 N337 F377 F388	Q252-Y315 PolarHBondContact NE2-O 2.96Å; Q252-Y315 PolarHBondContact OE1-O 3.05Å; G293-Y315 CarbonylContact C-O 3.58Å; G293-Y315 VanDerWaalsContact CA-O 3.25Å; G293-Y315 WeakPolarHBondContact CA-O 3.23Å; C294-Y315 PolarHBondContact N-O 3.15Å; C294-Y315 PolarHBondContact O-N 2.72Å; L309-Y315 HydrophobicContact CD2-CE1 4.42Å; I310-Y315 WeakPolarHBondContact CA-OH 3.33Å; I310-Y315 VanDerWaalsContact CB-OH 3.28Å; I310-Y315 WeakPolarHBondContact CB-OH 3.41Å; I310-Y315 PolarHBondContact N-OH 3.22Å; I310-Y315 PolarHBondContact O-OH 2.85Å; H313-Y315 HydrophobicContact CB-CE2 4.06Å; H313-Y315 AromaticContact CD2-CE2 3.69Å; H313-Y315 AromaticContact CD2-CZ 3.61Å; Y315-R336 VanDerWaalsContact CA-O 3.3Å; Y315-R336 WeakPolarHBondContact CA-O 3.48Å; Y315-N337 HydrophobicContact CD1-CB 4.17Å; Y315-N337 HydrophobicContact CE1-CB 3.94Å; Y315-F377 AromaticContact CD1-CE1 3.85Å; Y315-F377 HydrophobicContact CD1-CE1 3.85Å; Y315-F377 AromaticContact CD1-CZ 3.88Å; Y315-F377 HydrophobicContact CD1-CZ 3.88Å; Y315-F377 AromaticContact CE1-CE1 3.88Å; Y315-F377 HydrophobicContact CE1-CE1 3.88Å; Y315-F377 AromaticContact CE1-CZ 3.95Å; Y315-F377 HydrophobicContact CE1-CZ 3.95Å; Y315-F388 AromaticContact CD2-CE1 3.56Å; Y315-F388 HydrophobicContact CD2-CE1 3.56Å; Y315-F388 HydrophobicContact CD2-CZ 4.07Å; Y315-F388 HydrophobicContact CE2-CE1 4.07Å; Y315-F388 HydrophobicContact CE2-CZ 4.36Å; Y315-F388 AromaticContact CG-CE1 3.95Å; Y315-F388 HydrophobicContact CG-CE1 3.95Å; Y315-F388 HydrophobicContact CG-CZ 4.19Å
316	S	92.7	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.4	168.1	-46.8	0	0	0	0	109.7	A158 S162 L335 R336	A158-S316 PolarHBondContact O-OG 3.28Å; S162-S316 PolarHBondContact OG-OG 2.58Å; S162-S316 VanDerWaalsContact OG-OG 3.1Å; S316-L335 CarbonylContact O-C 3.58Å; S316-L335 VanDerWaalsContact O-CA 3.23Å; S316-L335 WeakPolarHBondContact O-CA 3.28Å; S316-R336 PolarHBondContact N-O 2.97Å; S316-R336 PolarHBondContact O-N 2.91Å; S316-R336 PolarHBondContact OG-NH2 2.94Å
317	L	94.6	Very high	93.3	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	103.8	169.5	175.9	63.6	0	0	0	108.3	L282 M292 M333 L335 F384 V391	L282-L317 HydrophobicContact CD2-CD2 4.08Å; M292-L317 HydrophobicContact CB-CB 3.85Å; M292-L317 HydrophobicContact CB-CD2 4.22Å; M292-L317 HydrophobicContact CB-CG 4.25Å; M292-L317 WeakPolarHBondContact CB-O 3.48Å; M292-L317 HydrophobicContact CE-CD2 4.44Å; M292-L317 HydrophobicContact CE-CG 4.39Å; M292-L317 PolarHBondContact O-N 3.47Å; M292-L317 HydrophobicContact SD-CD2 4.08Å; L317-M333 HydrophobicContact CD1-CB 4.09Å; L317-L335 HydrophobicContact CD1-CD1 4.44Å; L317-L335 HydrophobicContact CD1-CG 4.31Å; L317-F384 HydrophobicContact CD2-CZ 4.27Å; L317-V391 HydrophobicContact CD2-CG1 4.27Å
318	T	90.9	Very high	93.4	Very high	41 Å²	41	39.8 Å²	39.8	25%	0.252	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-1.3	-167.8	67.2	0	0	0	0	113.7	R334 R336	T318-R334 PolarHBondContact N-O 2.65Å; T318-R334 PolarHBondContact O-NH2 2.83Å; T318-R334 PolarHBondContact OG1-NE 3.05Å; T318-R334 PolarHBondContact OG1-O 3.21Å; T318-R336 HydrophobicContact CG2-CB 4.41Å
319	G	92	Very high	93.5	Very high	4 Å²	4	44.2 Å²	44.2	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	148.1	-178.5	0	0	0	0	0	114.6	R334	G319-R334 PolarHBondContact N-O 3.23Å; G319-R334 PolarHBondContact O-N 2.54Å
320	V	96.1	Very high	93.6	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	107.5	176	176.3	0	0	0	0	106.4	I279 L282 K283 A286 W331 M333	I279-V320 HydrophobicContact CD1-CG1 4.15Å; L282-V320 HydrophobicContact CB-CG1 4.47Å; L282-V320 HydrophobicContact CB-CG2 4.1Å; K283-V320 HydrophobicContact CG-CG1 4.06Å; A286-V320 HydrophobicContact CB-CB 3.96Å; A286-V320 HydrophobicContact CB-CG2 4.12Å; V320-W331 HydrophobicContact CG1-CE3 4.11Å; V320-W331 HydrophobicContact CG1-CZ3 4.35Å; V320-M333 HydrophobicContact CB-CE 4.31Å; V320-M333 HydrophobicContact CG1-CE 3.72Å; V320-M333 HydrophobicContact CG1-SD 4.44Å; V320-M333 HydrophobicContact CG2-CE 4.35Å; V320-M333 HydrophobicContact CG2-SD 4.12Å
321	Y	95.4	Very high	93.9	Very high	74 Å²	74	48.6 Å²	48.6	29%	0.29	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.4	-171.3	-68.4	-84.1	0	0	0	112.3	L332 I367 W378	Y321-L332 PolarHBondContact N-O 2.78Å; Y321-L332 PolarHBondContact O-N 3.29Å; Y321-I367 HydrophobicContact CD1-CG2 4.01Å; Y321-I367 HydrophobicContact CG-CB 4.42Å; Y321-I367 HydrophobicContact CG-CG2 3.89Å; Y321-W378 AromaticContact CD2-CH2 3.54Å; Y321-W378 HydrophobicContact CD2-CH2 3.54Å; Y321-W378 AromaticContact CD2-CZ3 3.72Å; Y321-W378 HydrophobicContact CD2-CZ3 3.72Å; Y321-W378 HydrophobicContact CE2-CH2 4.03Å; Y321-W378 HydrophobicContact CG-CH2 4.3Å; Y321-W378 HydrophobicContact CG-CZ3 4.4Å
322	P	95.7	Very high	94.1	Very high	65 Å²	65	48.6 Å²	48.6	42%	0.422	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.3	168.8	32.5	-28.5	0	0	0	110.9	T329 Q330 W331	P322-T329 HydrophobicContact CB-CG2 3.83Å; P322-Q330 WeakPolarHBondContact CA-O 3.33Å; P322-W331 HydrophobicContact CB-CD2 4.28Å; P322-W331 HydrophobicContact CB-CE3 4Å; P322-W331 HydrophobicContact CB-CH2 3.69Å; P322-W331 HydrophobicContact CB-CZ2 3.97Å; P322-W331 HydrophobicContact CB-CZ3 3.73Å; P322-W331 VanDerWaalsContact CD-CZ3 3.5Å; P322-W331 HydrophobicContact CG-CH2 3.79Å; P322-W331 HydrophobicContact CG-CZ2 4.5Å; P322-W331 HydrophobicContact CG-CZ3 3.81Å
323	V	95.9	Very high	94.5	Very high	3 Å²	3	46 Å²	46	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.3	164.8	-58.6	0	0	0	0	109.9	Y325 T329 Q330 L332 W349 I359 I367	V323-Y325 PolarHBondContact O-N 2.89Å; V323-T329 WeakPolarHBondContact O-CA 3.29Å; V323-Q330 HydrophobicContact CG2-CB 3.94Å; V323-Q330 HydrophobicContact CG2-CG 4.37Å; V323-Q330 PolarHBondContact N-O 2.7Å; V323-Q330 PolarHBondContact O-N 3.33Å; V323-L332 HydrophobicContact CB-CD1 4.49Å; V323-L332 HydrophobicContact CG1-CD1 3.85Å; V323-L332 HydrophobicContact CG2-CD1 3.76Å; V323-L332 HydrophobicContact CG2-CG 4.02Å; V323-W349 HydrophobicContact CG2-CH2 4Å; V323-W349 HydrophobicContact CG2-CZ3 4.41Å; V323-I359 HydrophobicContact CB-CG2 4.27Å; V323-I359 HydrophobicContact CG1-CD1 4.45Å; V323-I359 HydrophobicContact CG2-CG2 4.16Å; V323-I367 HydrophobicContact CG1-CD1 4.47Å; V323-I367 HydrophobicContact CG1-CG2 4.45Å
324	N	95.2	Very high	94.7	Very high	84 Å²	84	47.9 Å²	47.9	45%	0.449	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.4	170.3	-174.3	-16.8	0	0	0	109	G327 R328 E363	N324-G327 WeakPolarHBondContact OD1-CA 3.22Å; N324-G327 PolarHBondContact OD1-N 2.95Å; N324-R328 WeakPolarHBondContact CA-O 3.44Å; N324-E363 WeakPolarHBondContact CA-OE1 3.38Å; N324-E363 WeakPolarHBondContact CB-OE1 3.29Å; N324-E363 PolarHBondContact N-OE1 2.62Å
325	Y	94.5	Very high	94.8	Very high	43 Å²	43	47.7 Å²	47.7	17%	0.169	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113.2	175.6	179.5	-115.7	0	0	0	108.9	V323 G327 R328 W349 Q355 E358	V323-Y325 PolarHBondContact O-N 2.89Å; Y325-G327 VanDerWaalsContact C-N 3.3Å; Y325-G327 PolarHBondContact O-N 3.11Å; Y325-R328 PolarHBondContact N-O 2.78Å; Y325-R328 PolarHBondContact O-N 3.27Å; Y325-R328 VanDerWaalsContact O-N 3.08Å; Y325-W349 HydrophobicContact CD1-CZ2 4.18Å; Y325-W349 AromaticContact CD2-CH2 3.79Å; Y325-W349 HydrophobicContact CD2-CH2 3.79Å; Y325-W349 AromaticContact CD2-CZ2 3.86Å; Y325-W349 HydrophobicContact CD2-CZ2 3.86Å; Y325-W349 HydrophobicContact CE2-CH2 4.37Å; Y325-W349 HydrophobicContact CE2-CZ2 4.26Å; Y325-W349 HydrophobicContact CG-CH2 4.05Å; Y325-W349 AromaticContact CG-CZ2 3.81Å; Y325-W349 HydrophobicContact CG-CZ2 3.81Å; Y325-Q355 HydrophobicContact CE2-CB 4.33Å; Y325-Q355 HydrophobicContact CE2-CG 4.45Å; Y325-E358 HydrophobicContact CD2-CB 3.94Å; Y325-E358 HydrophobicContact CE2-CB 3.68Å; Y325-E358 HydrophobicContact CE2-CG 4.15Å
326	R	92.9	Very high	94.6	Very high	171 Å²	171	48.5 Å²	48.5	65%	0.645	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.6	180	-57.1	-179.4	176.8	179.2	2.2	114	R328 E358	R326-R328 VanDerWaalsContact C-N 3.27Å; R326-R328 PolarHBondContact O-N 2.75Å; R326-E358 IonicContact CZ-OE1 3.68Å; R326-E358 IonicContact CZ-OE2 3.78Å; R326-E358 VanDerWaalsContact CZ-OE2 3.3Å; R326-E358 IonicContact NE-OE1 2.7Å; R326-E358 IonicContact NE-OE2 2.77Å; R326-E358 PolarHBondContact NE-OE2 2.9Å; R326-E358 VanDerWaalsContact NH2-CD 3.33Å; R326-E358 IonicContact NH2-OE1 3.44Å; R326-E358 PolarHBondContact NH2-OE1 3.25Å; R326-E358 IonicContact NH2-OE2 3.69Å; R326-E358 PolarHBondContact NH2-OE2 3Å; R326-E358 VanDerWaalsContact NH2-OE2 3.08Å
327	G	92.5	Very high	94.5	Very high	66 Å²	66	48.6 Å²	48.6	68%	0.68	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	7.4	178.8	0	0	0	0	0	114.3	N324 Y325	N324-G327 WeakPolarHBondContact OD1-CA 3.22Å; N324-G327 PolarHBondContact OD1-N 2.95Å; Y325-G327 VanDerWaalsContact C-N 3.3Å; Y325-G327 PolarHBondContact O-N 3.11Å
328	R	95.3	Very high	93.8	Very high	202 Å²	202	48.8 Å²	48.8	76%	0.762	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	148	176.3	-62.7	-176.6	-179	-175.4	-0.4	109.8	N324 Y325 R326 Q330	N324-R328 WeakPolarHBondContact CA-O 3.44Å; Y325-R328 PolarHBondContact N-O 2.78Å; Y325-R328 PolarHBondContact O-N 3.27Å; Y325-R328 VanDerWaalsContact O-N 3.08Å; R326-R328 VanDerWaalsContact C-N 3.27Å; R326-R328 PolarHBondContact O-N 2.75Å; R328-Q330 PolarHBondContact O-N 3.48Å
329	T	95.8	Very high	93.2	Very high	96 Å²	96	48.8 Å²	48.8	59%	0.589	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.1	170.6	-55.5	0	0	0	0	109.1	P322 V323 W331	P322-T329 HydrophobicContact CB-CG2 3.83Å; V323-T329 WeakPolarHBondContact O-CA 3.29Å; T329-W331 HydrophobicContact CG2-CZ2 4.27Å
330	Q	97	Very high	92.1	Very high	35 Å²	35	50.4 Å²	50.4	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.6	169.2	176.5	64.7	65.6	0	0	108.1	P322 V323 R328 L332 W349 E382	P322-Q330 WeakPolarHBondContact CA-O 3.33Å; V323-Q330 HydrophobicContact CG2-CB 3.94Å; V323-Q330 HydrophobicContact CG2-CG 4.37Å; V323-Q330 PolarHBondContact N-O 2.7Å; V323-Q330 PolarHBondContact O-N 3.33Å; R328-Q330 PolarHBondContact O-N 3.48Å; Q330-L332 HydrophobicContact CG-CD2 3.8Å; Q330-L332 HydrophobicContact CG-CG 4.44Å; Q330-W349 HydrophobicContact CG-CZ2 3.96Å; Q330-E382 PolarHBondContact NE2-OE2 3.25Å
331	W	97.1	Very high	90.8	Very high	57 Å²	57	52.3 Å²	52.3	22%	0.216	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.3	173.3	-70.6	97.5	0	0	0	109.8	I279 K283 V320 P322 T329 M333 Y381	I279-W331 HydrophobicContact CD1-CB 3.89Å; I279-W331 HydrophobicContact CD1-CD2 4.09Å; I279-W331 HydrophobicContact CD1-CE3 4.29Å; I279-W331 HydrophobicContact CD1-CG 3.89Å; I279-W331 HydrophobicContact CG1-CB 4.27Å; I279-W331 HydrophobicContact CG1-CD2 4.14Å; I279-W331 HydrophobicContact CG1-CG 3.87Å; K283-W331 HydrophobicContact CD-CH2 3.46Å; K283-W331 VanDerWaalsContact CD-CH2 3.46Å; K283-W331 HydrophobicContact CD-CZ2 3.83Å; K283-W331 HydrophobicContact CD-CZ3 3.84Å; K283-W331 VanDerWaalsContact CE-CE2 3.41Å; K283-W331 HydrophobicContact CG-CE3 4.38Å; K283-W331 HydrophobicContact CG-CH2 3.9Å; K283-W331 HydrophobicContact CG-CZ3 3.74Å; K283-W331 VanDerWaalsContact NZ-CZ2 3.25Å; V320-W331 HydrophobicContact CG1-CE3 4.11Å; V320-W331 HydrophobicContact CG1-CZ3 4.35Å; P322-W331 HydrophobicContact CB-CD2 4.28Å; P322-W331 HydrophobicContact CB-CE3 4Å; P322-W331 HydrophobicContact CB-CH2 3.69Å; P322-W331 HydrophobicContact CB-CZ2 3.97Å; P322-W331 HydrophobicContact CB-CZ3 3.73Å; P322-W331 VanDerWaalsContact CD-CZ3 3.5Å; P322-W331 HydrophobicContact CG-CH2 3.79Å; P322-W331 HydrophobicContact CG-CZ2 4.5Å; P322-W331 HydrophobicContact CG-CZ3 3.81Å; T329-W331 HydrophobicContact CG2-CZ2 4.27Å; W331-M333 HydrophobicContact CB-CE 4.2Å; W331-Y381 PolarHBondContact O-N 3.1Å
332	L	97.5	Very high	89.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.4	179.5	-59	-177.1	0	0	0	110.5	Y321 V323 Q330 W349 W356 W378 M379	Y321-L332 PolarHBondContact N-O 2.78Å; Y321-L332 PolarHBondContact O-N 3.29Å; V323-L332 HydrophobicContact CB-CD1 4.49Å; V323-L332 HydrophobicContact CG1-CD1 3.85Å; V323-L332 HydrophobicContact CG2-CD1 3.76Å; V323-L332 HydrophobicContact CG2-CG 4.02Å; Q330-L332 HydrophobicContact CG-CD2 3.8Å; Q330-L332 HydrophobicContact CG-CG 4.44Å; L332-W349 HydrophobicContact CD1-CD2 4.21Å; L332-W349 HydrophobicContact CD1-CE3 3.85Å; L332-W349 HydrophobicContact CD1-CZ3 4.08Å; L332-W349 HydrophobicContact CD2-CB 4.31Å; L332-W349 HydrophobicContact CD2-CD2 3.6Å; L332-W349 HydrophobicContact CD2-CE3 4.12Å; L332-W349 HydrophobicContact CD2-CG 3.67Å; L332-W349 HydrophobicContact CD2-CZ2 4.35Å; L332-W356 HydrophobicContact CD1-CH2 3.79Å; L332-W356 HydrophobicContact CD1-CZ3 3.93Å; L332-W378 HydrophobicContact CB-CE3 3.84Å; L332-W378 HydrophobicContact CB-CZ3 4.15Å; L332-W378 HydrophobicContact CD1-CE3 4.5Å; L332-M379 CarbonylContact C-O 3.43Å; L332-M379 WeakPolarHBondContact CA-O 3.46Å
333	M	97.1	Very high	88.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.7	174.8	-52	-60.7	92.9	0	0	108.2	I279 L282 L317 V320 W331 L335 W378 M379 Y381 F384	I279-M333 HydrophobicContact CD1-CE 3.93Å; L282-M333 HydrophobicContact CD1-SD 4.23Å; L317-M333 HydrophobicContact CD1-CB 4.09Å; V320-M333 HydrophobicContact CB-CE 4.31Å; V320-M333 HydrophobicContact CG1-CE 3.72Å; V320-M333 HydrophobicContact CG1-SD 4.44Å; V320-M333 HydrophobicContact CG2-CE 4.35Å; V320-M333 HydrophobicContact CG2-SD 4.12Å; W331-M333 HydrophobicContact CB-CE 4.2Å; M333-L335 HydrophobicContact CB-CD1 3.62Å; M333-W378 WeakPolarHBondContact O-CA 3.06Å; M333-M379 HydrophobicContact CB-CG 4.24Å; M333-M379 PolarHBondContact N-O 3.48Å; M333-M379 PolarHBondContact O-N 3.37Å; M333-M379 VanDerWaalsContact O-N 3.08Å; M333-Y381 HydrophobicContact SD-CD2 4.3Å; M333-F384 HydrophobicContact CB-CB 4.39Å; M333-F384 HydrophobicContact CB-CD2 4.37Å; M333-F384 HydrophobicContact CB-CG 4.33Å; M333-F384 HydrophobicContact CG-CB 3.69Å; M333-F384 HydrophobicContact CG-CD1 3.97Å; M333-F384 HydrophobicContact CG-CD2 4.21Å; M333-F384 HydrophobicContact CG-CG 3.7Å; M333-F384 HydrophobicContact SD-CD1 4.39Å
334	R	95.1	Very high	88.5	Confident	42 Å²	42	53.5 Å²	53.5	16%	0.158	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117	170.8	-170.1	177.2	58.8	176.6	-2.5	109.3	T318 G319 E376 W378	T318-R334 PolarHBondContact N-O 2.65Å; T318-R334 PolarHBondContact O-NH2 2.83Å; T318-R334 PolarHBondContact OG1-NE 3.05Å; T318-R334 PolarHBondContact OG1-O 3.21Å; G319-R334 PolarHBondContact N-O 3.23Å; G319-R334 PolarHBondContact O-N 2.54Å; R334-E376 IonicContact NE-OE2 2.79Å; R334-E376 IonicContact NH1-OE2 3.6Å; R334-W378 HydrophobicContact CB-CD2 4.07Å; R334-W378 HydrophobicContact CB-CE3 3.79Å; R334-W378 HydrophobicContact CB-CH2 3.8Å; R334-W378 HydrophobicContact CB-CZ2 4.06Å; R334-W378 HydrophobicContact CB-CZ3 3.67Å; R334-W378 VanDerWaalsContact CD-CZ2 3.49Å; R334-W378 HydrophobicContact CG-CD2 4.15Å; R334-W378 HydrophobicContact CG-CE3 4.38Å; R334-W378 HydrophobicContact CG-CH2 4.19Å; R334-W378 HydrophobicContact CG-CZ2 3.93Å; R334-W378 HydrophobicContact CG-CZ3 4.41Å
335	L	94.3	Very high	88.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	164.7	-179.5	-68.6	88.6	0	0	0	110.3	C294 S316 L317 M333 E376 F377 M379 F384 F388	C294-L335 WeakPolarHBondContact SG-CD2 3.24Å; S316-L335 CarbonylContact O-C 3.58Å; S316-L335 VanDerWaalsContact O-CA 3.23Å; S316-L335 WeakPolarHBondContact O-CA 3.28Å; L317-L335 HydrophobicContact CD1-CD1 4.44Å; L317-L335 HydrophobicContact CD1-CG 4.31Å; M333-L335 HydrophobicContact CB-CD1 3.62Å; L335-E376 CarbonylContact O-C 3.54Å; L335-E376 VanDerWaalsContact O-CA 3.27Å; L335-E376 WeakPolarHBondContact O-CA 3.17Å; L335-F377 HydrophobicContact CB-CD2 4.26Å; L335-F377 HydrophobicContact CB-CE1 4Å; L335-F377 HydrophobicContact CB-CE2 3.68Å; L335-F377 HydrophobicContact CB-CZ 3.54Å; L335-F377 HydrophobicContact CD1-CE2 4.17Å; L335-F377 HydrophobicContact CD2-CE2 4.18Å; L335-F377 HydrophobicContact CD2-CZ 4.07Å; L335-F377 HydrophobicContact CG-CE2 4.26Å; L335-F377 HydrophobicContact CG-CZ 4.35Å; L335-F377 PolarHBondContact N-O 2.77Å; L335-F377 PolarHBondContact O-N 2.87Å; L335-M379 HydrophobicContact CD1-CG 3.8Å; L335-M379 HydrophobicContact CD1-SD 3.74Å; L335-M379 HydrophobicContact CD2-SD 4.36Å; L335-F384 HydrophobicContact CD1-CD2 4.13Å; L335-F384 HydrophobicContact CD1-CE2 4.46Å; L335-F384 HydrophobicContact CD2-CD2 4.1Å; L335-F384 HydrophobicContact CD2-CE2 3.96Å; L335-F388 HydrophobicContact CD2-CD2 4.26Å; L335-F388 HydrophobicContact CD2-CE1 3.77Å; L335-F388 HydrophobicContact CD2-CE2 3.45Å; L335-F388 VanDerWaalsContact CD2-CE2 3.45Å; L335-F388 HydrophobicContact CD2-CZ 3.17Å
336	R	89.7	Confident	88.4	Confident	18 Å²	18	54.9 Å²	54.9	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.5	173.9	-170.6	-179.4	63.2	-147.7	-2.6	111.9	S162 Y315 S316 T318 G375 E376	S162-R336 PolarHBondContact OG-NH2 3.41Å; Y315-R336 VanDerWaalsContact CA-O 3.3Å; Y315-R336 WeakPolarHBondContact CA-O 3.48Å; S316-R336 PolarHBondContact N-O 2.97Å; S316-R336 PolarHBondContact O-N 2.91Å; S316-R336 PolarHBondContact OG-NH2 2.94Å; T318-R336 HydrophobicContact CG2-CB 4.41Å; R336-G375 CarbonylContact C-O 3.6Å; R336-G375 VanDerWaalsContact CA-O 3.29Å; R336-G375 WeakPolarHBondContact CA-O 3.25Å; R336-E376 HydrophobicContact CB-CG 4.04Å; R336-E376 HydrophobicContact CG-CG 3.85Å
337	N	89.3	Confident	88.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	26%	0.262	C	S	.	.			trans	-82.9	121.7	165.6	-179.7	-1.9	0	0	0	109.5	H313 Y315 W339 G340 H343 G375	H313-N337 PolarHBondContact NE2-OD1 2.84Å; Y315-N337 HydrophobicContact CD1-CB 4.17Å; Y315-N337 HydrophobicContact CE1-CB 3.94Å; N337-W339 PolarHBondContact O-N 3.48Å; N337-W339 VanDerWaalsContact O-N 3.17Å; N337-W339 PolarHBondContact OD1-N 2.87Å; N337-W339 VanDerWaalsContact OD1-N 3.07Å; N337-G340 PolarHBondContact O-N 3.48Å; N337-H343 PolarHBondContact ND2-O 3.05Å; N337-G375 PolarHBondContact N-O 3.17Å
338	P	80.8	Confident	88.7	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.058	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.2	179.8	26.4	-36.7	0	0	0	114.6	L157 A158 A314 G340	L157-P338 HydrophobicContact CB-CB 4.47Å; A158-P338 HydrophobicContact CB-CB 4.31Å; A158-P338 HydrophobicContact CB-CG 4.19Å; A314-P338 WeakPolarHBondContact O-CD 3.19Å; A314-P338 WeakPolarHBondContact O-CG 3.4Å; P338-G340 PolarHBondContact O-N 2.75Å
339	W	77.1	Confident	88.7	Confident	41 Å²	41	37.1 Å²	37.1	16%	0.155	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.1	178.4	-63.4	-7.2	0	0	0	113.8	E302 I310 H313 N337 D341	E302-W339 HydrophobicContact CB-CH2 4.13Å; E302-W339 HydrophobicContact CB-CZ2 4.33Å; E302-W339 VanDerWaalsContact CD-CZ2 3.49Å; E302-W339 HydrophobicContact CG-CH2 4.29Å; E302-W339 HydrophobicContact CG-CZ2 3.98Å; I310-W339 HydrophobicContact CD1-CD2 4.38Å; I310-W339 HydrophobicContact CD1-CE3 3.6Å; I310-W339 HydrophobicContact CD1-CH2 3.63Å; I310-W339 HydrophobicContact CD1-CZ2 4.39Å; I310-W339 HydrophobicContact CD1-CZ3 3.17Å; I310-W339 HydrophobicContact CG2-CH2 4.47Å; H313-W339 AromaticContact CE1-CD1 3.81Å; H313-W339 AromaticContact CE1-CE2 3.5Å; H313-W339 AromaticContact CE1-CZ2 3.91Å; H313-W339 AromaticContact CE1-NE1 3.26Å; H313-W339 PolarHBondContact CE1-NE1 2.73Å; H313-W339 VanDerWaalsContact CE1-NE1 3.26Å; H313-W339 AromaticContact NE2-CE2 3.93Å; H313-W339 AromaticContact NE2-NE1 3.91Å; N337-W339 PolarHBondContact O-N 3.48Å; N337-W339 VanDerWaalsContact O-N 3.17Å; N337-W339 PolarHBondContact OD1-N 2.87Å; N337-W339 VanDerWaalsContact OD1-N 3.07Å; W339-D341 PolarHBondContact O-N 2.83Å
340	G	69.1	Low	88.6	Confident	39 Å²	39	33.6 Å²	33.6	40%	0.402	19%	0.186	S	C	.	.			trans	60.9	13.6	-178.5	0	0	0	0	0	114.3	N337 P338	N337-G340 PolarHBondContact O-N 3.48Å; P338-G340 PolarHBondContact O-N 2.75Å
341	D	69.5	Low	88.1	Confident	53 Å²	53	33.9 Å²	33.9	28%	0.283	19%	0.188	S	C	.	.	S	Bend	trans	-104.5	178.6	-176	79.6	-1	0	0	0	112.4	W339 H343	W339-D341 PolarHBondContact O-N 2.83Å; D341-H343 PolarHBondContact O-N 3.16Å; D341-H343 WeakPolarHBondContact OD1-CB 3.4Å; D341-H343 IonicContact OD1-CG 2.77Å; D341-H343 PolarHBondContact OD1-N 2.73Å; D341-H343 VanDerWaalsContact OD1-N 3.15Å; D341-H343 IonicContact OD1-ND1 2.91Å; D341-H343 PolarHBondContact OD1-ND1 3.2Å; D341-H343 IonicContact OD2-CE1 3.72Å; D341-H343 PolarHBondContact OD2-CE1 3.11Å; D341-H343 VanDerWaalsContact OD2-CE1 3.26Å; D341-H343 IonicContact OD2-CG 3.77Å; D341-H343 IonicContact OD2-ND1 3.66Å; D341-H343 PolarHBondContact OD2-ND1 3.18Å
342	S	69.5	Low	87.7	Confident	99 Å²	99	33.6 Å²	33.6	69%	0.692	20%	0.203	S	C	*	.	S	Bend	trans	-71	9.8	-174.6	59.7	0	0	0	0	115.7	E344	S342-E344 VanDerWaalsContact C-N 3.26Å; S342-E344 PolarHBondContact O-N 2.76Å
343	H	81.6	Confident	87.5	Confident	43 Å²	43	33.9 Å²	33.9	20%	0.199	21%	0.205	C	C	.	.			trans	-83.9	76	175.3	-60.4	88.3	0	0	0	110.1	K304 G308 I310 N337 D341	K304-H343 PolarHBondContact NZ-CE1 3.03Å; K304-H343 VanDerWaalsContact NZ-CE1 3.33Å; K304-H343 PolarHBondContact NZ-NE2 2.66Å; G308-H343 CarbonylContact O-C 3.37Å; I310-H343 HydrophobicContact CD1-CB 3.84Å; I310-H343 HydrophobicContact CG1-CB 4.28Å; N337-H343 PolarHBondContact ND2-O 3.05Å; D341-H343 PolarHBondContact O-N 3.16Å; D341-H343 WeakPolarHBondContact OD1-CB 3.4Å; D341-H343 IonicContact OD1-CG 2.77Å; D341-H343 PolarHBondContact OD1-N 2.73Å; D341-H343 VanDerWaalsContact OD1-N 3.15Å; D341-H343 IonicContact OD1-ND1 2.91Å; D341-H343 PolarHBondContact OD1-ND1 3.2Å; D341-H343 IonicContact OD2-CE1 3.72Å; D341-H343 PolarHBondContact OD2-CE1 3.11Å; D341-H343 VanDerWaalsContact OD2-CE1 3.26Å; D341-H343 IonicContact OD2-CG 3.77Å; D341-H343 IonicContact OD2-ND1 3.66Å; D341-H343 PolarHBondContact OD2-ND1 3.18Å
344	E	88.6	Confident	87.4	Confident	25 Å²	25	37.9 Å²	37.9	12%	0.117	23%	0.231	C	C	.	.			trans	-117	164	179.8	-66.3	169.5	-175.7	0	0	110.6	G308 S342 K346 G375 F377	G308-E344 CarbonylContact C-O 3.6Å; G308-E344 WeakPolarHBondContact CA-O 3.41Å; S342-E344 VanDerWaalsContact C-N 3.26Å; S342-E344 PolarHBondContact O-N 2.76Å; E344-K346 PolarHBondContact O-N 2.96Å; E344-G375 WeakPolarHBondContact OE1-CA 3.2Å; E344-G375 PolarHBondContact OE1-N 3.2Å; E344-F377 HydrophobicContact CB-CB 4.04Å; E344-F377 HydrophobicContact CB-CD1 4.03Å; E344-F377 HydrophobicContact CB-CG 4.21Å; E344-F377 HydrophobicContact CG-CB 4.27Å; E344-F377 HydrophobicContact CG-CD1 4Å
345	W	93.9	Very high	87.3	Confident	19 Å²	19	37.9 Å²	37.9	7%	0.072	23%	0.233	C	C	.	.			trans	-53.6	131.5	174.3	174.1	-118.1	0	0	0	111.9	N307 L309 G347 A348 C350 F377 W378 M379 D383	N307-W345 HydrophobicContact CB-CE3 4.18Å; N307-W345 HydrophobicContact CB-CZ3 3.67Å; L309-W345 HydrophobicContact CD1-CE3 3.76Å; L309-W345 HydrophobicContact CD1-CZ3 4.01Å; L309-W345 HydrophobicContact CD2-CB 4.23Å; L309-W345 HydrophobicContact CD2-CE3 4.41Å; L309-W345 HydrophobicContact CG-CE3 3.91Å; W345-G347 VanDerWaalsContact NE1-C 3.31Å; W345-A348 PolarHBondContact NE1-O 3.3Å; W345-C350 WeakPolarHBondContact O-CB 3.4Å; W345-F377 HydrophobicContact CB-CD2 3.34Å; W345-F377 HydrophobicContact CB-CE2 3.61Å; W345-F377 HydrophobicContact CB-CG 4.07Å; W345-F377 HydrophobicContact CG-CD2 4.38Å; W345-W378 VanDerWaalsContact CD1-O 3.22Å; W345-M379 HydrophobicContact CD2-CB 4.48Å; W345-M379 HydrophobicContact CD2-CE 4.16Å; W345-M379 HydrophobicContact CE3-CE 4.27Å; W345-M379 HydrophobicContact CG-CB 4.2Å; W345-M379 HydrophobicContact CH2-CE 4.38Å; W345-M379 HydrophobicContact CZ2-CE 4.28Å; W345-M379 HydrophobicContact CZ3-CE 4.36Å; W345-D383 HydrophobicContact CH2-CB 4.23Å; W345-D383 HydrophobicContact CZ2-CB 3.81Å
346	K	93.6	Very high	87.4	Confident	137 Å²	137	38.2 Å²	38.2	60%	0.596	23%	0.234	S	C	*	.			trans	-105.4	0.1	-179.4	-64.1	175.3	-177.1	170	0	114.2	N307 E344	N307-K346 WeakPolarHBondContact O-CB 3.41Å; N307-K346 PolarHBondContact O-N 3.26Å; E344-K346 PolarHBondContact O-N 2.96Å
347	G	95.2	Very high	87.6	Confident	27 Å²	27	47.4 Å²	47.4	28%	0.278	27%	0.269	S	S	.	.	S	Bend	trans	-87.3	-155.1	-176.8	0	0	0	0	0	113.6	W345 W349 C350	W345-G347 VanDerWaalsContact NE1-C 3.31Å; G347-W349 PolarHBondContact O-N 3.25Å; G347-C350 WeakPolarHBondContact O-CB 3.48Å; G347-C350 PolarHBondContact O-N 3.46Å; G347-C350 PolarHBondContact O-SG 3.28Å
348	A	95.4	Very high	87.8	Confident	31 Å²	31	51.3 Å²	51.3	26%	0.256	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	139.2	178.4	0	0	0	0	0	111	W345 C350	W345-A348 PolarHBondContact NE1-O 3.3Å; A348-C350 PolarHBondContact O-N 3.18Å
349	W	95.4	Very high	88.4	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.027	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	9.6	-176.7	-51.8	95.8	0	0	0	116	V323 Y325 Q330 L332 G347 S353 Q355 W356 I359 W378	V323-W349 HydrophobicContact CG2-CH2 4Å; V323-W349 HydrophobicContact CG2-CZ3 4.41Å; Y325-W349 HydrophobicContact CD1-CZ2 4.18Å; Y325-W349 AromaticContact CD2-CH2 3.79Å; Y325-W349 HydrophobicContact CD2-CH2 3.79Å; Y325-W349 AromaticContact CD2-CZ2 3.86Å; Y325-W349 HydrophobicContact CD2-CZ2 3.86Å; Y325-W349 HydrophobicContact CE2-CH2 4.37Å; Y325-W349 HydrophobicContact CE2-CZ2 4.26Å; Y325-W349 HydrophobicContact CG-CH2 4.05Å; Y325-W349 AromaticContact CG-CZ2 3.81Å; Y325-W349 HydrophobicContact CG-CZ2 3.81Å; Q330-W349 HydrophobicContact CG-CZ2 3.96Å; L332-W349 HydrophobicContact CD1-CD2 4.21Å; L332-W349 HydrophobicContact CD1-CE3 3.85Å; L332-W349 HydrophobicContact CD1-CZ3 4.08Å; L332-W349 HydrophobicContact CD2-CB 4.31Å; L332-W349 HydrophobicContact CD2-CD2 3.6Å; L332-W349 HydrophobicContact CD2-CE3 4.12Å; L332-W349 HydrophobicContact CD2-CG 3.67Å; L332-W349 HydrophobicContact CD2-CZ2 4.35Å; G347-W349 PolarHBondContact O-N 3.25Å; W349-S353 VanDerWaalsContact CA-OG 3.29Å; W349-S353 WeakPolarHBondContact CA-OG 3.39Å; W349-S353 PolarHBondContact N-OG 3.42Å; W349-Q355 HydrophobicContact CD2-CB 3.85Å; W349-Q355 HydrophobicContact CD2-CG 4.42Å; W349-Q355 HydrophobicContact CE3-CB 3.87Å; W349-Q355 HydrophobicContact CH2-CB 3.93Å; W349-Q355 HydrophobicContact CZ2-CB 3.89Å; W349-Q355 HydrophobicContact CZ2-CG 4.37Å; W349-Q355 HydrophobicContact CZ3-CB 3.92Å; W349-W356 HydrophobicContact CB-CZ2 4.21Å; W349-W356 AromaticContact CE3-CD2 3.86Å; W349-W356 HydrophobicContact CE3-CD2 3.86Å; W349-W356 AromaticContact CE3-CE2 3.97Å; W349-W356 AromaticContact CE3-CE3 3.67Å; W349-W356 HydrophobicContact CE3-CE3 3.67Å; W349-W356 AromaticContact CE3-CH2 3.83Å; W349-W356 HydrophobicContact CE3-CH2 3.83Å; W349-W356 AromaticContact CE3-CZ2 3.99Å; W349-W356 HydrophobicContact CE3-CZ2 3.99Å; W349-W356 AromaticContact CE3-CZ3 3.65Å; W349-W356 HydrophobicContact CE3-CZ3 3.65Å; W349-W356 HydrophobicContact CZ3-CD2 4.19Å; W349-W356 AromaticContact CZ3-CE3 3.68Å; W349-W356 HydrophobicContact CZ3-CE3 3.68Å; W349-W356 HydrophobicContact CZ3-CH2 4.42Å; W349-W356 AromaticContact CZ3-CZ3 3.8Å; W349-W356 HydrophobicContact CZ3-CZ3 3.8Å; W349-W356 VanDerWaalsContact O-CZ2 3.29Å; W349-W356 WeakPolarHBondContact O-CZ2 3.37Å; W349-W356 PolarHBondContact O-NE1 3Å; W349-I359 HydrophobicContact CH2-CG2 3.68Å; W349-I359 HydrophobicContact CZ3-CD1 4.41Å; W349-I359 HydrophobicContact CZ3-CG2 3.91Å; W349-W378 CarbonylContact C-O 3.22Å; W349-W378 HydrophobicContact CB-CB 4.48Å; W349-W378 WeakPolarHBondContact O-CB 3.26Å; W349-W378 VanDerWaalsContact O-O 3.07Å
350	C	93.2	Very high	89.1	Confident	23 Å²	23	52 Å²	52	16%	0.155	30%	0.297	C	S	.	.			trans	-58.7	169.4	166.5	68.4	0	0	0	0	112.7	W345 G347 A348 G352 S353 W356	W345-C350 WeakPolarHBondContact O-CB 3.4Å; G347-C350 WeakPolarHBondContact O-CB 3.48Å; G347-C350 PolarHBondContact O-N 3.46Å; G347-C350 PolarHBondContact O-SG 3.28Å; A348-C350 PolarHBondContact O-N 3.18Å; C350-G352 PolarHBondContact O-N 3.17Å; C350-S353 WeakPolarHBondContact O-CB 3.16Å; C350-S353 PolarHBondContact O-N 2.88Å; C350-W356 PolarHBondContact O-NE1 3.24Å
351	D	87.7	Confident	90.2	Very high	41 Å²	41	56.5 Å²	56.5	22%	0.219	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	123.5	177.3	-84.6	21.1	0	0	0	112	S353 F371	D351-S353 VanDerWaalsContact C-N 3.26Å; D351-S353 PolarHBondContact O-N 2.88Å; D351-F371 HydrophobicContact CB-CB 4.47Å; D351-F371 HydrophobicContact CB-CD1 3.97Å; D351-F371 HydrophobicContact CB-CG 4.48Å; D351-F371 VanDerWaalsContact OD2-CA 3.23Å; D351-F371 WeakPolarHBondContact OD2-CA 3.4Å
352	G	88	Confident	91.3	Very high	51 Å²	51	59.3 Å²	59.3	53%	0.526	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	8.8	-176.5	0	0	0	0	0	115.8	C350	C350-G352 PolarHBondContact O-N 3.17Å
353	S	93.5	Very high	92.4	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.042	29%	0.294	C	S	.	.			trans	-57.3	151.3	177.8	92.7	0	0	0	0	113.2	W349 C350 D351 Q355 W356	W349-S353 VanDerWaalsContact CA-OG 3.29Å; W349-S353 WeakPolarHBondContact CA-OG 3.39Å; W349-S353 PolarHBondContact N-OG 3.42Å; C350-S353 WeakPolarHBondContact O-CB 3.16Å; C350-S353 PolarHBondContact O-N 2.88Å; D351-S353 VanDerWaalsContact C-N 3.26Å; D351-S353 PolarHBondContact O-N 2.88Å; S353-Q355 PolarHBondContact O-N 3.1Å; S353-Q355 PolarHBondContact OG-OE1 2.86Å; S353-W356 PolarHBondContact O-N 2.9Å
354	P	94.5	Very high	93	Very high	84 Å²	84	56 Å²	56	55%	0.545	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.8	-179.4	-25.6	35.2	0	0	0	114.8	W356 R357	P354-W356 PolarHBondContact O-N 3.27Å; P354-R357 VanDerWaalsContact O-CB 3.32Å; P354-R357 WeakPolarHBondContact O-CB 3.32Å; P354-R357 PolarHBondContact O-N 2.92Å
355	Q	94.8	Very high	93.1	Very high	42 Å²	42	62 Å²	62	20%	0.196	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-59.5	-32	-179.1	-65	80.8	-1.1	0	0	112.1	Y325 W349 S353 R357 E358	Y325-Q355 HydrophobicContact CE2-CB 4.33Å; Y325-Q355 HydrophobicContact CE2-CG 4.45Å; W349-Q355 HydrophobicContact CD2-CB 3.85Å; W349-Q355 HydrophobicContact CD2-CG 4.42Å; W349-Q355 HydrophobicContact CE3-CB 3.87Å; W349-Q355 HydrophobicContact CH2-CB 3.93Å; W349-Q355 HydrophobicContact CZ2-CB 3.89Å; W349-Q355 HydrophobicContact CZ2-CG 4.37Å; W349-Q355 HydrophobicContact CZ3-CB 3.92Å; S353-Q355 PolarHBondContact O-N 3.1Å; S353-Q355 PolarHBondContact OG-OE1 2.86Å; Q355-R357 PolarHBondContact O-N 2.82Å; Q355-R357 VanDerWaalsContact O-N 3.09Å; Q355-E358 WeakPolarHBondContact O-CB 3.3Å; Q355-E358 PolarHBondContact O-N 3.12Å
356	W	94.8	Very high	93	Very high	7 Å²	7	65.8 Å²	65.8	3%	0.027	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.2	175.9	-63.5	120.1	0	0	0	113.7	L332 W349 C350 S353 P354 E358 I359 K364 I367 L369 F371 W378	L332-W356 HydrophobicContact CD1-CH2 3.79Å; L332-W356 HydrophobicContact CD1-CZ3 3.93Å; W349-W356 HydrophobicContact CB-CZ2 4.21Å; W349-W356 AromaticContact CE3-CD2 3.86Å; W349-W356 HydrophobicContact CE3-CD2 3.86Å; W349-W356 AromaticContact CE3-CE2 3.97Å; W349-W356 AromaticContact CE3-CE3 3.67Å; W349-W356 HydrophobicContact CE3-CE3 3.67Å; W349-W356 AromaticContact CE3-CH2 3.83Å; W349-W356 HydrophobicContact CE3-CH2 3.83Å; W349-W356 AromaticContact CE3-CZ2 3.99Å; W349-W356 HydrophobicContact CE3-CZ2 3.99Å; W349-W356 AromaticContact CE3-CZ3 3.65Å; W349-W356 HydrophobicContact CE3-CZ3 3.65Å; W349-W356 HydrophobicContact CZ3-CD2 4.19Å; W349-W356 AromaticContact CZ3-CE3 3.68Å; W349-W356 HydrophobicContact CZ3-CE3 3.68Å; W349-W356 HydrophobicContact CZ3-CH2 4.42Å; W349-W356 AromaticContact CZ3-CZ3 3.8Å; W349-W356 HydrophobicContact CZ3-CZ3 3.8Å; W349-W356 VanDerWaalsContact O-CZ2 3.29Å; W349-W356 WeakPolarHBondContact O-CZ2 3.37Å; W349-W356 PolarHBondContact O-NE1 3Å; C350-W356 PolarHBondContact O-NE1 3.24Å; S353-W356 PolarHBondContact O-N 2.9Å; P354-W356 PolarHBondContact O-N 3.27Å; W356-E358 PolarHBondContact O-N 3.28Å; W356-I359 HydrophobicContact CE3-CD1 3.44Å; W356-I359 VanDerWaalsContact CE3-CD1 3.44Å; W356-I359 HydrophobicContact CE3-CG1 4.16Å; W356-I359 HydrophobicContact CZ3-CD1 3.61Å; W356-K364 WeakPolarHBondContact O-CE 3.19Å; W356-K364 PolarHBondContact O-NZ 3.36Å; W356-I367 HydrophobicContact CH2-CD1 4.06Å; W356-I367 HydrophobicContact CZ3-CD1 3.76Å; W356-L369 HydrophobicContact CD2-CD1 4.41Å; W356-L369 HydrophobicContact CD2-CD2 3.95Å; W356-L369 HydrophobicContact CE3-CD1 4.27Å; W356-L369 HydrophobicContact CE3-CD2 3.68Å; W356-L369 HydrophobicContact CG-CD2 4.49Å; W356-L369 HydrophobicContact CH2-CD1 3.61Å; W356-L369 HydrophobicContact CH2-CD2 4.5Å; W356-L369 HydrophobicContact CZ2-CD1 3.75Å; W356-L369 HydrophobicContact CZ3-CD1 3.9Å; W356-L369 HydrophobicContact CZ3-CD2 3.99Å; W356-F371 HydrophobicContact CB-CZ 4.32Å; W356-F371 AromaticContact CD1-CE1 3.9Å; W356-F371 AromaticContact CD1-CZ 3.57Å; W356-F371 HydrophobicContact CD2-CE1 4.46Å; W356-F371 HydrophobicContact CD2-CZ 4.24Å; W356-F371 HydrophobicContact CG-CE1 4.36Å; W356-F371 AromaticContact CG-CZ 3.81Å; W356-F371 HydrophobicContact CG-CZ 3.81Å; W356-F371 AromaticContact NE1-CE1 3.69Å; W356-F371 AromaticContact NE1-CZ 3.86Å; W356-W378 HydrophobicContact CH2-CB 3.97Å; W356-W378 HydrophobicContact CH2-CD2 4.13Å; W356-W378 AromaticContact CH2-CG 3.81Å; W356-W378 HydrophobicContact CH2-CG 3.81Å; W356-W378 HydrophobicContact CZ2-CB 3.64Å; W356-W378 AromaticContact CZ2-CD1 3.92Å; W356-W378 AromaticContact CZ2-CG 3.76Å; W356-W378 HydrophobicContact CZ2-CG 3.76Å
357	R	93.7	Very high	92.8	Very high	211 Å²	211	59.4 Å²	59.4	80%	0.796	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-76.1	-13.9	175.2	-58.3	179.7	-174.8	174.9	2.2	113	P354 Q355	P354-R357 VanDerWaalsContact O-CB 3.32Å; P354-R357 WeakPolarHBondContact O-CB 3.32Å; P354-R357 PolarHBondContact O-N 2.92Å; Q355-R357 PolarHBondContact O-N 2.82Å; Q355-R357 VanDerWaalsContact O-N 3.09Å
358	E	93.5	Very high	92.4	Very high	82 Å²	82	63.8 Å²	63.8	38%	0.383	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-103.7	-1.1	-173.8	-57.3	-168.6	-133.9	0	0	113.5	Y325 R326 Q355 W356	Y325-E358 HydrophobicContact CD2-CB 3.94Å; Y325-E358 HydrophobicContact CE2-CB 3.68Å; Y325-E358 HydrophobicContact CE2-CG 4.15Å; R326-E358 IonicContact CZ-OE1 3.68Å; R326-E358 IonicContact CZ-OE2 3.78Å; R326-E358 VanDerWaalsContact CZ-OE2 3.3Å; R326-E358 IonicContact NE-OE1 2.7Å; R326-E358 IonicContact NE-OE2 2.77Å; R326-E358 PolarHBondContact NE-OE2 2.9Å; R326-E358 VanDerWaalsContact NH2-CD 3.33Å; R326-E358 IonicContact NH2-OE1 3.44Å; R326-E358 PolarHBondContact NH2-OE1 3.25Å; R326-E358 IonicContact NH2-OE2 3.69Å; R326-E358 PolarHBondContact NH2-OE2 3Å; R326-E358 VanDerWaalsContact NH2-OE2 3.08Å; Q355-E358 WeakPolarHBondContact O-CB 3.3Å; Q355-E358 PolarHBondContact O-N 3.12Å; W356-E358 PolarHBondContact O-N 3.28Å
359	I	93.5	Very high	92.1	Very high	9 Å²	9	64 Å²	64	5%	0.046	33%	0.326	C	S	.	.	S	Bend	trans	-105.5	153.3	171.4	67	164.7	0	0	0	110.5	V323 W349 W356 E363 K364	V323-I359 HydrophobicContact CB-CG2 4.27Å; V323-I359 HydrophobicContact CG1-CD1 4.45Å; V323-I359 HydrophobicContact CG2-CG2 4.16Å; W349-I359 HydrophobicContact CH2-CG2 3.68Å; W349-I359 HydrophobicContact CZ3-CD1 4.41Å; W349-I359 HydrophobicContact CZ3-CG2 3.91Å; W356-I359 HydrophobicContact CE3-CD1 3.44Å; W356-I359 VanDerWaalsContact CE3-CD1 3.44Å; W356-I359 HydrophobicContact CE3-CG1 4.16Å; W356-I359 HydrophobicContact CZ3-CD1 3.61Å; I359-E363 HydrophobicContact CD1-CB 4.46Å; I359-K364 HydrophobicContact CD1-CG 3.71Å; I359-K364 HydrophobicContact CG1-CG 3.95Å
360	S	92.8	Very high	91.5	Very high	55 Å²	55	66.4 Å²	66.4	39%	0.385	34%	0.344	S	S	.	.			trans	-70.8	152.5	-177.5	66.8	0	0	0	0	112.4	Q362 E363 K364	S360-Q362 PolarHBondContact O-N 3.3Å; S360-E363 WeakPolarHBondContact CB-OE2 3.27Å; S360-E363 PolarHBondContact N-OE2 2.99Å; S360-E363 PolarHBondContact O-N 2.91Å; S360-E363 VanDerWaalsContact OG-CG 3.23Å; S360-E363 WeakPolarHBondContact OG-CG 3.48Å; S360-E363 PolarHBondContact OG-N 2.68Å; S360-E363 PolarHBondContact OG-OE2 3.09Å; S360-K364 PolarHBondContact O-N 3.38Å; S360-K364 VanDerWaalsContact O-N 3.1Å
361	E	92.7	Very high	91	Very high	134 Å²	134	70 Å²	70	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-59.4	-29.3	172.8	-67.9	-56.7	126.7	0	0	112.4	K364 K365	E361-K364 PolarHBondContact O-N 3.26Å; E361-K364 WeakPolarHBondContact OE1-CE 3.37Å; E361-K364 IonicContact OE1-NZ 2.68Å; E361-K364 PolarHBondContact OE1-NZ 2.91Å; E361-K365 WeakPolarHBondContact O-CB 3.37Å; E361-K365 PolarHBondContact O-N 2.59Å
362	Q	92.8	Very high	90.5	Very high	113 Å²	113	71.3 Å²	71.3	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-40.7	174.9	-174.7	59.2	51.9	0	0	111.6	S360 K365 N366	S360-Q362 PolarHBondContact O-N 3.3Å; Q362-K365 PolarHBondContact O-N 3.28Å; Q362-N366 PolarHBondContact NE2-OD1 2.85Å; Q362-N366 WeakPolarHBondContact O-CB 3.44Å; Q362-N366 PolarHBondContact O-N 3.19Å; Q362-N366 PolarHBondContact O-ND2 3.2Å; Q362-N366 PolarHBondContact O-OD1 3.43Å
363	E	92.6	Very high	89.8	Confident	35 Å²	35	73.2 Å²	73.2	16%	0.164	38%	0.378	C	S	.	.	H	α-helix	trans	-66.6	-42.7	176	-73.3	166.9	123.6	0	0	111.8	N324 I359 S360 K365 N366 I367	N324-E363 WeakPolarHBondContact CA-OE1 3.38Å; N324-E363 WeakPolarHBondContact CB-OE1 3.29Å; N324-E363 PolarHBondContact N-OE1 2.62Å; I359-E363 HydrophobicContact CD1-CB 4.46Å; S360-E363 WeakPolarHBondContact CB-OE2 3.27Å; S360-E363 PolarHBondContact N-OE2 2.99Å; S360-E363 PolarHBondContact O-N 2.91Å; S360-E363 VanDerWaalsContact OG-CG 3.23Å; S360-E363 WeakPolarHBondContact OG-CG 3.48Å; S360-E363 PolarHBondContact OG-N 2.68Å; S360-E363 PolarHBondContact OG-OE2 3.09Å; E363-K365 VanDerWaalsContact C-N 3.25Å; E363-K365 PolarHBondContact O-N 2.97Å; E363-N366 WeakPolarHBondContact O-CB 3.48Å; E363-N366 PolarHBondContact O-N 3.39Å; E363-N366 VanDerWaalsContact O-N 3.09Å; E363-I367 WeakPolarHBondContact O-CG1 3.19Å; E363-I367 PolarHBondContact O-N 3.43Å
364	K	93.1	Very high	88.9	Confident	37 Å²	37	74 Å²	74	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-55.9	-43.1	173.3	-65.4	178.7	-172	172	0	111.6	W356 I359 S360 E361 I367 N368 L369	W356-K364 WeakPolarHBondContact O-CE 3.19Å; W356-K364 PolarHBondContact O-NZ 3.36Å; I359-K364 HydrophobicContact CD1-CG 3.71Å; I359-K364 HydrophobicContact CG1-CG 3.95Å; S360-K364 PolarHBondContact O-N 3.38Å; S360-K364 VanDerWaalsContact O-N 3.1Å; E361-K364 PolarHBondContact O-N 3.26Å; E361-K364 WeakPolarHBondContact OE1-CE 3.37Å; E361-K364 IonicContact OE1-NZ 2.68Å; E361-K364 PolarHBondContact OE1-NZ 2.91Å; K364-I367 WeakPolarHBondContact O-CG1 3.4Å; K364-N368 PolarHBondContact O-N 3.33Å; K364-L369 HydrophobicContact CB-CB 4.13Å; K364-L369 HydrophobicContact CB-CD2 4.09Å; K364-L369 HydrophobicContact CD-CD2 4.03Å; K364-L369 HydrophobicContact CG-CD2 3.74Å; K364-L369 WeakPolarHBondContact O-CB 3.39Å; K364-L369 PolarHBondContact O-N 2.95Å
365	K	91.7	Very high	88.3	Confident	151 Å²	151	70 Å²	70	66%	0.657	36%	0.355	S	S	*	.	H	α-helix	trans	-66.5	-41.4	175.7	-170.8	177.4	179.9	-179.6	0	112.1	E361 Q362 E363 I367 N368	E361-K365 WeakPolarHBondContact O-CB 3.37Å; E361-K365 PolarHBondContact O-N 2.59Å; Q362-K365 PolarHBondContact O-N 3.28Å; E363-K365 VanDerWaalsContact C-N 3.25Å; E363-K365 PolarHBondContact O-N 2.97Å; K365-I367 VanDerWaalsContact C-N 3.26Å; K365-I367 PolarHBondContact O-N 2.82Å; K365-N368 PolarHBondContact O-N 2.91Å; K365-N368 VanDerWaalsContact O-N 3.1Å; K365-N368 PolarHBondContact O-OD1 3.46Å
366	N	90.5	Very high	88	Confident	98 Å²	98	69.2 Å²	69.2	52%	0.524	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-35.1	179.8	-69.5	-12	0	0	0	112.5	Q362 E363 N368	Q362-N366 PolarHBondContact NE2-OD1 2.85Å; Q362-N366 WeakPolarHBondContact O-CB 3.44Å; Q362-N366 PolarHBondContact O-N 3.19Å; Q362-N366 PolarHBondContact O-ND2 3.2Å; Q362-N366 PolarHBondContact O-OD1 3.43Å; E363-N366 WeakPolarHBondContact O-CB 3.48Å; E363-N366 PolarHBondContact O-N 3.39Å; E363-N366 VanDerWaalsContact O-N 3.09Å; N366-N368 VanDerWaalsContact C-N 3.34Å
367	I	90.1	Very high	87.9	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.015	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.2	178.1	71.6	177.9	0	0	0	113.2	Y321 V323 W356 E363 K364 K365 L369 W378	Y321-I367 HydrophobicContact CD1-CG2 4.01Å; Y321-I367 HydrophobicContact CG-CB 4.42Å; Y321-I367 HydrophobicContact CG-CG2 3.89Å; V323-I367 HydrophobicContact CG1-CD1 4.47Å; V323-I367 HydrophobicContact CG1-CG2 4.45Å; W356-I367 HydrophobicContact CH2-CD1 4.06Å; W356-I367 HydrophobicContact CZ3-CD1 3.76Å; E363-I367 WeakPolarHBondContact O-CG1 3.19Å; E363-I367 PolarHBondContact O-N 3.43Å; K364-I367 WeakPolarHBondContact O-CG1 3.4Å; K365-I367 VanDerWaalsContact C-N 3.26Å; K365-I367 PolarHBondContact O-N 2.82Å; I367-L369 VanDerWaalsContact C-N 3.3Å; I367-L369 HydrophobicContact CD1-CB 4.29Å; I367-L369 HydrophobicContact CD1-CD1 4.29Å; I367-L369 HydrophobicContact CG1-CB 4.03Å; I367-L369 PolarHBondContact O-N 3.39Å; I367-W378 HydrophobicContact CB-CH2 3.78Å; I367-W378 HydrophobicContact CB-CZ2 4.12Å; I367-W378 HydrophobicContact CD1-CH2 4.12Å; I367-W378 HydrophobicContact CD1-CZ2 4.1Å; I367-W378 HydrophobicContact CD1-CZ3 4.49Å; I367-W378 HydrophobicContact CG1-CH2 4.24Å; I367-W378 HydrophobicContact CG1-CZ2 4.17Å
368	N	86.6	Confident	88	Confident	120 Å²	120	59.1 Å²	59.1	64%	0.642	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	48.4	-173.5	-61.8	-54.2	0	0	0	112.7	K364 K365 N366 S370	K364-N368 PolarHBondContact O-N 3.33Å; K365-N368 PolarHBondContact O-N 2.91Å; K365-N368 VanDerWaalsContact O-N 3.1Å; K365-N368 PolarHBondContact O-OD1 3.46Å; N366-N368 VanDerWaalsContact C-N 3.34Å; N368-S370 PolarHBondContact O-N 2.65Å
369	L	87.9	Confident	88.2	Confident	35 Å²	35	55.2 Å²	55.2	18%	0.183	30%	0.295	C	S	.	.			trans	-59.6	123.3	-177.9	-172	65.9	0	0	0	111	W356 K364 I367 F371	W356-L369 HydrophobicContact CD2-CD1 4.41Å; W356-L369 HydrophobicContact CD2-CD2 3.95Å; W356-L369 HydrophobicContact CE3-CD1 4.27Å; W356-L369 HydrophobicContact CE3-CD2 3.68Å; W356-L369 HydrophobicContact CG-CD2 4.49Å; W356-L369 HydrophobicContact CH2-CD1 3.61Å; W356-L369 HydrophobicContact CH2-CD2 4.5Å; W356-L369 HydrophobicContact CZ2-CD1 3.75Å; W356-L369 HydrophobicContact CZ3-CD1 3.9Å; W356-L369 HydrophobicContact CZ3-CD2 3.99Å; K364-L369 HydrophobicContact CB-CB 4.13Å; K364-L369 HydrophobicContact CB-CD2 4.09Å; K364-L369 HydrophobicContact CD-CD2 4.03Å; K364-L369 HydrophobicContact CG-CD2 3.74Å; K364-L369 WeakPolarHBondContact O-CB 3.39Å; K364-L369 PolarHBondContact O-N 2.95Å; I367-L369 VanDerWaalsContact C-N 3.3Å; I367-L369 HydrophobicContact CD1-CB 4.29Å; I367-L369 HydrophobicContact CD1-CD1 4.29Å; I367-L369 HydrophobicContact CG1-CB 4.03Å; I367-L369 PolarHBondContact O-N 3.39Å; L369-F371 HydrophobicContact CD1-CD1 4.45Å; L369-F371 HydrophobicContact CD1-CE1 3.78Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; L369-F371 HydrophobicContact CD2-CE1 4.05Å; L369-F371 HydrophobicContact CD2-CZ 3.74Å; L369-F371 HydrophobicContact CG-CE1 3.94Å; L369-F371 HydrophobicContact CG-CZ 4.1Å
370	S	84	Confident	88.4	Confident	58 Å²	58	55.1 Å²	55.1	41%	0.406	30%	0.295	S	S	.	.			trans	-133.3	141.6	173.6	-173.2	0	0	0	0	108.2	N368 T372	N368-S370 PolarHBondContact O-N 2.65Å; S370-T372 WeakPolarHBondContact OG-CG2 3.43Å; S370-T372 PolarHBondContact OG-OG1 3.25Å
371	F	82.8	Confident	88.6	Confident	99 Å²	99	54 Å²	54	43%	0.434	28%	0.283	S	S	.	.			trans	-111.3	40.4	174.2	-58.4	-42.1	0	0	0	110.9	D351 W356 L369	D351-F371 HydrophobicContact CB-CB 4.47Å; D351-F371 HydrophobicContact CB-CD1 3.97Å; D351-F371 HydrophobicContact CB-CG 4.48Å; D351-F371 VanDerWaalsContact OD2-CA 3.23Å; D351-F371 WeakPolarHBondContact OD2-CA 3.4Å; W356-F371 HydrophobicContact CB-CZ 4.32Å; W356-F371 AromaticContact CD1-CE1 3.9Å; W356-F371 AromaticContact CD1-CZ 3.57Å; W356-F371 HydrophobicContact CD2-CE1 4.46Å; W356-F371 HydrophobicContact CD2-CZ 4.24Å; W356-F371 HydrophobicContact CG-CE1 4.36Å; W356-F371 AromaticContact CG-CZ 3.81Å; W356-F371 HydrophobicContact CG-CZ 3.81Å; W356-F371 AromaticContact NE1-CE1 3.69Å; W356-F371 AromaticContact NE1-CZ 3.86Å; L369-F371 HydrophobicContact CD1-CD1 4.45Å; L369-F371 HydrophobicContact CD1-CE1 3.78Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; L369-F371 HydrophobicContact CD2-CE1 4.05Å; L369-F371 HydrophobicContact CD2-CZ 3.74Å; L369-F371 HydrophobicContact CG-CE1 3.94Å; L369-F371 HydrophobicContact CG-CZ 4.1Å
372	T	76.8	Confident	88.8	Confident	68 Å²	68	52 Å²	52	42%	0.417	27%	0.273	S	S	.	.			trans	-81.7	141.4	178.3	38.3	0	0	0	0	109	S370 D374	S370-T372 WeakPolarHBondContact OG-CG2 3.43Å; S370-T372 PolarHBondContact OG-OG1 3.25Å; T372-D374 PolarHBondContact O-N 2.97Å; T372-D374 PolarHBondContact OG1-OD2 2.9Å
373	A	72.4	Confident	89.1	Confident	91 Å²	91	48.7 Å²	48.7	75%	0.752	26%	0.259	S	S	*	.	S	Bend	trans	-71	78.3	171.8	0	0	0	0	0	109.9
374	D	75.3	Confident	89.3	Confident	22 Å²	22	47 Å²	47	12%	0.118	25%	0.252	C	S	.	.	S	Bend	trans	-123.3	8.3	178.9	69.1	-2.8	0	0	0	112.6	R143 F144 T372 E376	R143-D374 IonicContact CZ-OD2 2.73Å; R143-D374 IonicContact NH2-OD2 3.3Å; R143-D374 PolarHBondContact NH2-OD2 2.79Å; F144-D374 HydrophobicContact CE1-CB 3.91Å; F144-D374 HydrophobicContact CZ-CB 4.33Å; T372-D374 PolarHBondContact O-N 2.97Å; T372-D374 PolarHBondContact OG1-OD2 2.9Å; D374-E376 PolarHBondContact O-N 2.92Å; D374-E376 VanDerWaalsContact OD1-CB 3.31Å; D374-E376 WeakPolarHBondContact OD1-CB 3.5Å; D374-E376 PolarHBondContact OD1-N 2.83Å
375	G	81.5	Confident	89.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	76.4	-1.6	-177.6	0	0	0	0	0	113.8	R336 N337 E344	R336-G375 CarbonylContact C-O 3.6Å; R336-G375 VanDerWaalsContact CA-O 3.29Å; R336-G375 WeakPolarHBondContact CA-O 3.25Å; N337-G375 PolarHBondContact N-O 3.17Å; E344-G375 WeakPolarHBondContact OE1-CA 3.2Å; E344-G375 PolarHBondContact OE1-N 3.2Å
376	E	88.8	Confident	89.7	Confident	26 Å²	26	44.3 Å²	44.3	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.6	171.6	-64.9	-164.1	170.1	0	0	110.9	R143 R334 L335 R336 D374	R143-E376 IonicContact CZ-OE1 3.97Å; R143-E376 IonicContact NH1-OE1 2.93Å; R143-E376 PolarHBondContact NH1-OE1 2.59Å; R143-E376 IonicContact NH2-OE1 3.56Å; R334-E376 IonicContact NE-OE2 2.79Å; R334-E376 IonicContact NH1-OE2 3.6Å; L335-E376 CarbonylContact O-C 3.54Å; L335-E376 VanDerWaalsContact O-CA 3.27Å; L335-E376 WeakPolarHBondContact O-CA 3.17Å; R336-E376 HydrophobicContact CB-CG 4.04Å; R336-E376 HydrophobicContact CG-CG 3.85Å; D374-E376 PolarHBondContact O-N 2.92Å; D374-E376 VanDerWaalsContact OD1-CB 3.31Å; D374-E376 WeakPolarHBondContact OD1-CB 3.5Å; D374-E376 PolarHBondContact OD1-N 2.83Å
377	F	93.4	Very high	90	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.7	176.7	62.5	-91.8	0	0	0	111	L309 Y315 L335 E344 W345 M379	L309-F377 HydrophobicContact CD2-CE1 4.5Å; L309-F377 HydrophobicContact CD2-CE2 3.9Å; L309-F377 HydrophobicContact CD2-CZ 3.63Å; Y315-F377 AromaticContact CD1-CE1 3.85Å; Y315-F377 HydrophobicContact CD1-CE1 3.85Å; Y315-F377 AromaticContact CD1-CZ 3.88Å; Y315-F377 HydrophobicContact CD1-CZ 3.88Å; Y315-F377 AromaticContact CE1-CE1 3.88Å; Y315-F377 HydrophobicContact CE1-CE1 3.88Å; Y315-F377 AromaticContact CE1-CZ 3.95Å; Y315-F377 HydrophobicContact CE1-CZ 3.95Å; L335-F377 HydrophobicContact CB-CD2 4.26Å; L335-F377 HydrophobicContact CB-CE1 4Å; L335-F377 HydrophobicContact CB-CE2 3.68Å; L335-F377 HydrophobicContact CB-CZ 3.54Å; L335-F377 HydrophobicContact CD1-CE2 4.17Å; L335-F377 HydrophobicContact CD2-CE2 4.18Å; L335-F377 HydrophobicContact CD2-CZ 4.07Å; L335-F377 HydrophobicContact CG-CE2 4.26Å; L335-F377 HydrophobicContact CG-CZ 4.35Å; L335-F377 PolarHBondContact N-O 2.77Å; L335-F377 PolarHBondContact O-N 2.87Å; E344-F377 HydrophobicContact CB-CB 4.04Å; E344-F377 HydrophobicContact CB-CD1 4.03Å; E344-F377 HydrophobicContact CB-CG 4.21Å; E344-F377 HydrophobicContact CG-CB 4.27Å; E344-F377 HydrophobicContact CG-CD1 4Å; W345-F377 HydrophobicContact CB-CD2 3.34Å; W345-F377 HydrophobicContact CB-CE2 3.61Å; W345-F377 HydrophobicContact CB-CG 4.07Å; W345-F377 HydrophobicContact CG-CD2 4.38Å; F377-M379 HydrophobicContact CE2-SD 4.36Å
378	W	95.5	Very high	90.3	Very high	6 Å²	6	40.9 Å²	40.9	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.6	-179.4	-64.5	86.6	0	0	0	111.3	Y321 L332 M333 R334 W345 W349 W356 I367	Y321-W378 AromaticContact CD2-CH2 3.54Å; Y321-W378 HydrophobicContact CD2-CH2 3.54Å; Y321-W378 AromaticContact CD2-CZ3 3.72Å; Y321-W378 HydrophobicContact CD2-CZ3 3.72Å; Y321-W378 HydrophobicContact CE2-CH2 4.03Å; Y321-W378 HydrophobicContact CG-CH2 4.3Å; Y321-W378 HydrophobicContact CG-CZ3 4.4Å; L332-W378 HydrophobicContact CB-CE3 3.84Å; L332-W378 HydrophobicContact CB-CZ3 4.15Å; L332-W378 HydrophobicContact CD1-CE3 4.5Å; M333-W378 WeakPolarHBondContact O-CA 3.06Å; R334-W378 HydrophobicContact CB-CD2 4.07Å; R334-W378 HydrophobicContact CB-CE3 3.79Å; R334-W378 HydrophobicContact CB-CH2 3.8Å; R334-W378 HydrophobicContact CB-CZ2 4.06Å; R334-W378 HydrophobicContact CB-CZ3 3.67Å; R334-W378 VanDerWaalsContact CD-CZ2 3.49Å; R334-W378 HydrophobicContact CG-CD2 4.15Å; R334-W378 HydrophobicContact CG-CE3 4.38Å; R334-W378 HydrophobicContact CG-CH2 4.19Å; R334-W378 HydrophobicContact CG-CZ2 3.93Å; R334-W378 HydrophobicContact CG-CZ3 4.41Å; W345-W378 VanDerWaalsContact CD1-O 3.22Å; W349-W378 CarbonylContact C-O 3.22Å; W349-W378 HydrophobicContact CB-CB 4.48Å; W349-W378 WeakPolarHBondContact O-CB 3.26Å; W349-W378 VanDerWaalsContact O-O 3.07Å; W356-W378 HydrophobicContact CH2-CB 3.97Å; W356-W378 HydrophobicContact CH2-CD2 4.13Å; W356-W378 AromaticContact CH2-CG 3.81Å; W356-W378 HydrophobicContact CH2-CG 3.81Å; W356-W378 HydrophobicContact CZ2-CB 3.64Å; W356-W378 AromaticContact CZ2-CD1 3.92Å; W356-W378 AromaticContact CZ2-CG 3.76Å; W356-W378 HydrophobicContact CZ2-CG 3.76Å; I367-W378 HydrophobicContact CB-CH2 3.78Å; I367-W378 HydrophobicContact CB-CZ2 4.12Å; I367-W378 HydrophobicContact CD1-CH2 4.12Å; I367-W378 HydrophobicContact CD1-CZ2 4.1Å; I367-W378 HydrophobicContact CD1-CZ3 4.49Å; I367-W378 HydrophobicContact CG1-CH2 4.24Å; I367-W378 HydrophobicContact CG1-CZ2 4.17Å
379	M	97.2	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.3	170.9	66.9	-171	-49	0	0	110.7	L332 M333 L335 W345 F377 D383 F384 C387 F388	L332-M379 CarbonylContact C-O 3.43Å; L332-M379 WeakPolarHBondContact CA-O 3.46Å; M333-M379 HydrophobicContact CB-CG 4.24Å; M333-M379 PolarHBondContact N-O 3.48Å; M333-M379 PolarHBondContact O-N 3.37Å; M333-M379 VanDerWaalsContact O-N 3.08Å; L335-M379 HydrophobicContact CD1-CG 3.8Å; L335-M379 HydrophobicContact CD1-SD 3.74Å; L335-M379 HydrophobicContact CD2-SD 4.36Å; W345-M379 HydrophobicContact CD2-CB 4.48Å; W345-M379 HydrophobicContact CD2-CE 4.16Å; W345-M379 HydrophobicContact CE3-CE 4.27Å; W345-M379 HydrophobicContact CG-CB 4.2Å; W345-M379 HydrophobicContact CH2-CE 4.38Å; W345-M379 HydrophobicContact CZ2-CE 4.28Å; W345-M379 HydrophobicContact CZ3-CE 4.36Å; F377-M379 HydrophobicContact CE2-SD 4.36Å; M379-D383 VanDerWaalsContact CE-C 3.42Å; M379-D383 HydrophobicContact CE-CB 3.58Å; M379-F384 HydrophobicContact CE-CB 4.26Å; M379-F384 HydrophobicContact CG-CB 4.08Å; M379-F384 HydrophobicContact SD-CB 3.9Å; M379-F384 HydrophobicContact SD-CD2 3.98Å; M379-F384 HydrophobicContact SD-CG 4.47Å; M379-C387 HydrophobicContact CE-CB 4.24Å; M379-F388 HydrophobicContact CE-CE2 4.34Å; M379-F388 HydrophobicContact SD-CD2 4.2Å; M379-F388 HydrophobicContact SD-CE2 3.72Å
380	S	97.6	Very high	91.1	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	153.5	172.3	72.6	0	0	0	0	111.1	E382 D383 F384	S380-E382 PolarHBondContact O-N 2.94Å; S380-D383 PolarHBondContact O-N 3.3Å; S380-D383 WeakPolarHBondContact OG-CB 3.31Å; S380-D383 PolarHBondContact OG-N 3.03Å; S380-D383 PolarHBondContact OG-OD2 3.34Å; S380-F384 WeakPolarHBondContact O-CB 3.39Å; S380-F384 PolarHBondContact O-N 2.9Å
381	Y	97.6	Very high	91.7	Very high	30 Å²	30	34.6 Å²	34.6	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-38.7	170.5	168.4	-105.7	0	0	0	111.7	L278 I279 L282 W331 M333 F384 V385	L278-Y381 HydrophobicContact CD2-CE2 3.96Å; L278-Y381 HydrophobicContact CG-CE2 4.24Å; I279-Y381 HydrophobicContact CB-CD2 4.24Å; I279-Y381 HydrophobicContact CB-CE1 4.16Å; I279-Y381 HydrophobicContact CB-CE2 3.85Å; I279-Y381 HydrophobicContact CD1-CD2 3.73Å; I279-Y381 HydrophobicContact CD1-CE2 4.16Å; I279-Y381 HydrophobicContact CD1-CG 4.04Å; I279-Y381 HydrophobicContact CG1-CD2 4.28Å; I279-Y381 HydrophobicContact CG1-CE2 4.4Å; I279-Y381 HydrophobicContact CG1-CG 4.36Å; L282-Y381 HydrophobicContact CD1-CE2 4.38Å; W331-Y381 PolarHBondContact O-N 3.1Å; M333-Y381 HydrophobicContact SD-CD2 4.3Å; Y381-F384 WeakPolarHBondContact O-CB 3.19Å; Y381-F384 PolarHBondContact O-N 3.42Å; Y381-V385 HydrophobicContact CD2-CG1 3.97Å; Y381-V385 HydrophobicContact CE1-CG1 4.32Å; Y381-V385 HydrophobicContact CE2-CG1 3.42Å; Y381-V385 VanDerWaalsContact CE2-CG1 3.42Å; Y381-V385 WeakPolarHBondContact O-CG2 3.34Å; Y381-V385 PolarHBondContact O-N 3.3Å
382	E	96.9	Very high	92.3	Very high	92 Å²	92	30.5 Å²	30.5	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-64.2	-43.6	179.5	-66.2	73.7	-161.3	0	0	112.5	Q330 S380 F384 V385 T386	Q330-E382 PolarHBondContact NE2-OE2 3.25Å; S380-E382 PolarHBondContact O-N 2.94Å; E382-F384 VanDerWaalsContact C-N 3.35Å; E382-V385 WeakPolarHBondContact O-CG2 3.35Å; E382-T386 WeakPolarHBondContact O-CB 3.49Å; E382-T386 PolarHBondContact O-N 3.07Å; E382-T386 PolarHBondContact O-OG1 2.85Å
383	D	97.7	Very high	93.2	Very high	44 Å²	44	27.2 Å²	27.2	24%	0.235	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-40	174	-66.7	-46.2	0	0	0	110.4	W345 M379 S380 T386 C387	W345-D383 HydrophobicContact CH2-CB 4.23Å; W345-D383 HydrophobicContact CZ2-CB 3.81Å; M379-D383 VanDerWaalsContact CE-C 3.42Å; M379-D383 HydrophobicContact CE-CB 3.58Å; S380-D383 PolarHBondContact O-N 3.3Å; S380-D383 WeakPolarHBondContact OG-CB 3.31Å; S380-D383 PolarHBondContact OG-N 3.03Å; S380-D383 PolarHBondContact OG-OD2 3.34Å; D383-T386 PolarHBondContact O-N 2.84Å; D383-T386 VanDerWaalsContact O-N 3.17Å; D383-C387 WeakPolarHBondContact O-CB 3.17Å; D383-C387 PolarHBondContact O-N 2.91Å; D383-C387 PolarHBondContact O-SG 3.36Å
384	F	97.9	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-52.5	-178.9	173	-105.5	0	0	0	111.6	L269 L282 C294 L317 M333 L335 M379 S380 Y381 E382 T386 C387 F388 V391	L269-F384 HydrophobicContact CD1-CD1 4.39Å; L269-F384 HydrophobicContact CD1-CE1 3.85Å; L269-F384 HydrophobicContact CD1-CZ 4.06Å; L282-F384 HydrophobicContact CD1-CE1 4.25Å; C294-F384 HydrophobicContact CB-CE2 4.16Å; C294-F384 HydrophobicContact CB-CZ 4.21Å; L317-F384 HydrophobicContact CD2-CZ 4.27Å; M333-F384 HydrophobicContact CB-CB 4.39Å; M333-F384 HydrophobicContact CB-CD2 4.37Å; M333-F384 HydrophobicContact CB-CG 4.33Å; M333-F384 HydrophobicContact CG-CB 3.69Å; M333-F384 HydrophobicContact CG-CD1 3.97Å; M333-F384 HydrophobicContact CG-CD2 4.21Å; M333-F384 HydrophobicContact CG-CG 3.7Å; M333-F384 HydrophobicContact SD-CD1 4.39Å; L335-F384 HydrophobicContact CD1-CD2 4.13Å; L335-F384 HydrophobicContact CD1-CE2 4.46Å; L335-F384 HydrophobicContact CD2-CD2 4.1Å; L335-F384 HydrophobicContact CD2-CE2 3.96Å; M379-F384 HydrophobicContact CE-CB 4.26Å; M379-F384 HydrophobicContact CG-CB 4.08Å; M379-F384 HydrophobicContact SD-CB 3.9Å; M379-F384 HydrophobicContact SD-CD2 3.98Å; M379-F384 HydrophobicContact SD-CG 4.47Å; S380-F384 WeakPolarHBondContact O-CB 3.39Å; S380-F384 PolarHBondContact O-N 2.9Å; Y381-F384 WeakPolarHBondContact O-CB 3.19Å; Y381-F384 PolarHBondContact O-N 3.42Å; E382-F384 VanDerWaalsContact C-N 3.35Å; F384-T386 PolarHBondContact O-N 3.46Å; F384-C387 PolarHBondContact O-N 2.73Å; F384-F388 HydrophobicContact CD2-CB 4.36Å; F384-F388 AromaticContact CD2-CD2 3.53Å; F384-F388 HydrophobicContact CD2-CD2 3.53Å; F384-F388 HydrophobicContact CD2-CE2 4.07Å; F384-F388 HydrophobicContact CD2-CG 4.01Å; F384-F388 HydrophobicContact CE2-CB 4.16Å; F384-F388 HydrophobicContact CE2-CD1 4.42Å; F384-F388 AromaticContact CE2-CD2 3.84Å; F384-F388 HydrophobicContact CE2-CD2 3.84Å; F384-F388 HydrophobicContact CE2-CE2 4.4Å; F384-F388 AromaticContact CE2-CG 3.87Å; F384-F388 HydrophobicContact CE2-CG 3.87Å; F384-F388 HydrophobicContact CG-CD2 4.43Å; F384-F388 WeakPolarHBondContact O-CB 3.41Å; F384-F388 PolarHBondContact O-N 3.04Å; F384-V391 HydrophobicContact CE1-CG2 3.85Å; F384-V391 HydrophobicContact CZ-CG2 3.56Å
385	V	96.9	Very high	95.3	Very high	15 Å²	15	22 Å²	22	9%	0.091	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-15	179	-61.1	0	0	0	0	113.9	L269 L278 Y381 E382	L269-V385 HydrophobicContact CD2-CG1 4.5Å; L278-V385 HydrophobicContact CD2-CG1 3.73Å; Y381-V385 HydrophobicContact CD2-CG1 3.97Å; Y381-V385 HydrophobicContact CE1-CG1 4.32Å; Y381-V385 HydrophobicContact CE2-CG1 3.42Å; Y381-V385 VanDerWaalsContact CE2-CG1 3.42Å; Y381-V385 WeakPolarHBondContact O-CG2 3.34Å; Y381-V385 PolarHBondContact O-N 3.3Å; E382-V385 WeakPolarHBondContact O-CG2 3.35Å
386	T	96	Very high	95.8	Very high	116 Å²	116	22 Å²	22	71%	0.712	12%	0.116	S	C	*	.	H	α-helix	trans	-90	-32.8	176.2	-62.4	0	0	0	0	111.4	E382 D383 F384	E382-T386 WeakPolarHBondContact O-CB 3.49Å; E382-T386 PolarHBondContact O-N 3.07Å; E382-T386 PolarHBondContact O-OG1 2.85Å; D383-T386 PolarHBondContact O-N 2.84Å; D383-T386 VanDerWaalsContact O-N 3.17Å; F384-T386 PolarHBondContact O-N 3.46Å
387	C	96.4	Very high	95.9	Very high	24 Å²	24	20.8 Å²	20.8	16%	0.162	11%	0.11	C	C	.	.	H	α-helix	trans	-92	-39	-177	-63.3	0	0	0	0	113.4	L309 M379 D383 F384	L309-C387 HydrophobicContact CD1-CB 3.77Å; M379-C387 HydrophobicContact CE-CB 4.24Å; D383-C387 WeakPolarHBondContact O-CB 3.17Å; D383-C387 PolarHBondContact O-N 2.91Å; D383-C387 PolarHBondContact O-SG 3.36Å; F384-C387 PolarHBondContact O-N 2.73Å
388	F	97.1	Very high	95.5	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.026	12%	0.121	C	C	.	.			trans	-91.5	146.4	-176	-74.2	-96.3	0	0	0	111.8	L269 C294 I296 L309 Y315 L335 M379 F384	L269-F388 WeakPolarHBondContact CB-O 3.49Å; L269-F388 HydrophobicContact CD1-CB 3.56Å; L269-F388 WeakPolarHBondContact CD1-O 3.31Å; C294-F388 HydrophobicContact CB-CD1 3.81Å; C294-F388 HydrophobicContact CB-CE1 4.28Å; C294-F388 VanDerWaalsContact SG-CE1 3.58Å; I296-F388 HydrophobicContact CD1-CD1 4.48Å; I296-F388 HydrophobicContact CD1-CE1 4.24Å; I296-F388 HydrophobicContact CD1-CZ 4.29Å; I296-F388 HydrophobicContact CG1-CD1 3.73Å; I296-F388 HydrophobicContact CG1-CE1 3.88Å; I296-F388 HydrophobicContact CG1-CG 4.13Å; I296-F388 HydrophobicContact CG1-CZ 4.38Å; L309-F388 HydrophobicContact CD1-CE2 3.89Å; L309-F388 HydrophobicContact CD1-CZ 4.29Å; L309-F388 HydrophobicContact CD2-CE2 4.48Å; L309-F388 HydrophobicContact CD2-CZ 4.3Å; Y315-F388 AromaticContact CD2-CE1 3.56Å; Y315-F388 HydrophobicContact CD2-CE1 3.56Å; Y315-F388 HydrophobicContact CD2-CZ 4.07Å; Y315-F388 HydrophobicContact CE2-CE1 4.07Å; Y315-F388 HydrophobicContact CE2-CZ 4.36Å; Y315-F388 AromaticContact CG-CE1 3.95Å; Y315-F388 HydrophobicContact CG-CE1 3.95Å; Y315-F388 HydrophobicContact CG-CZ 4.19Å; L335-F388 HydrophobicContact CD2-CD2 4.26Å; L335-F388 HydrophobicContact CD2-CE1 3.77Å; L335-F388 HydrophobicContact CD2-CE2 3.45Å; L335-F388 VanDerWaalsContact CD2-CE2 3.45Å; L335-F388 HydrophobicContact CD2-CZ 3.17Å; M379-F388 HydrophobicContact CE-CE2 4.34Å; M379-F388 HydrophobicContact SD-CD2 4.2Å; M379-F388 HydrophobicContact SD-CE2 3.72Å; F384-F388 HydrophobicContact CD2-CB 4.36Å; F384-F388 AromaticContact CD2-CD2 3.53Å; F384-F388 HydrophobicContact CD2-CD2 3.53Å; F384-F388 HydrophobicContact CD2-CE2 4.07Å; F384-F388 HydrophobicContact CD2-CG 4.01Å; F384-F388 HydrophobicContact CE2-CB 4.16Å; F384-F388 HydrophobicContact CE2-CD1 4.42Å; F384-F388 AromaticContact CE2-CD2 3.84Å; F384-F388 HydrophobicContact CE2-CD2 3.84Å; F384-F388 HydrophobicContact CE2-CE2 4.4Å; F384-F388 AromaticContact CE2-CG 3.87Å; F384-F388 HydrophobicContact CE2-CG 3.87Å; F384-F388 HydrophobicContact CG-CD2 4.43Å; F384-F388 WeakPolarHBondContact O-CB 3.41Å; F384-F388 PolarHBondContact O-N 3.04Å
389	S	96	Very high	95	Very high	28 Å²	28	23.3 Å²	23.3	20%	0.196	12%	0.123	C	C	.	.			trans	-90.1	-34.9	179.1	-63.2	0	0	0	0	112.4	L269 S295 D297	L269-S389 WeakPolarHBondContact CB-O 3.47Å; L269-S389 PolarHBondContact N-O 3.42Å; S295-S389 PolarHBondContact O-N 2.67Å; D297-S389 WeakPolarHBondContact CB-OG 3.45Å; D297-S389 PolarHBondContact N-OG 3.23Å; D297-S389 VanDerWaalsContact OD2-CB 3.24Å; D297-S389 WeakPolarHBondContact OD2-CB 3.35Å; D297-S389 PolarHBondContact OD2-OG 3.11Å
390	R	95.4	Very high	94.6	Very high	53 Å²	53	23.3 Å²	23.3	20%	0.2	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	148.3	-167.4	-172.9	-178.4	-58.3	101.9	18.3	112.5	S266 L267 E268 C294 S295 D297 E392	S266-R390 VanDerWaalsContact OG-CD 3.23Å; S266-R390 WeakPolarHBondContact OG-CD 3.48Å; S266-R390 WeakPolarHBondContact OG-CG 3.44Å; L267-R390 CarbonylContact O-C 3.59Å; L267-R390 WeakPolarHBondContact O-CA 3.15Å; E268-R390 IonicContact OE1-CZ 3.26Å; E268-R390 IonicContact OE1-NE 3.04Å; E268-R390 PolarHBondContact OE1-NE 2.66Å; E268-R390 IonicContact OE1-NH2 3.23Å; E268-R390 PolarHBondContact OE1-NH2 2.7Å; E268-R390 IonicContact OE2-NH2 3.08Å; C294-R390 WeakPolarHBondContact CA-O 2.88Å; C294-R390 WeakPolarHBondContact CB-O 3.23Å; S295-R390 PolarHBondContact N-O 2.97Å; S295-R390 VanDerWaalsContact N-O 3.15Å; S295-R390 PolarHBondContact O-N 2.98Å; D297-R390 IonicContact OD1-CZ 3.15Å; D297-R390 IonicContact OD1-NH1 3.19Å; D297-R390 PolarHBondContact OD1-NH1 2.98Å; D297-R390 VanDerWaalsContact OD1-NH1 3.15Å; D297-R390 IonicContact OD1-NH2 2.91Å; D297-R390 PolarHBondContact OD1-NH2 3.17Å; D297-R390 IonicContact OD2-NH2 3.56Å; D297-R390 PolarHBondContact OD2-NH2 3.1Å; R390-E392 HydrophobicContact CG-CG 4.44Å
391	V	96.6	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133	166.1	-176.7	0	0	0	0	109.3	L267 L269 L282 G293 C294 L317 F384 V393	L267-V391 HydrophobicContact CB-CB 4.34Å; L267-V391 PolarHBondContact N-O 3.08Å; L267-V391 PolarHBondContact O-N 2.99Å; L269-V391 HydrophobicContact CD1-CG2 3.84Å; L269-V391 HydrophobicContact CD2-CG2 3.96Å; L269-V391 HydrophobicContact CG-CG2 4.11Å; L282-V391 HydrophobicContact CD2-CG1 4.21Å; G293-V391 CarbonylContact O-C 3.49Å; G293-V391 WeakPolarHBondContact O-CA 3.35Å; G293-V391 WeakPolarHBondContact O-CG1 3.5Å; C294-V391 HydrophobicContact CB-CG2 4.29Å; L317-V391 HydrophobicContact CD2-CG1 4.27Å; F384-V391 HydrophobicContact CE1-CG2 3.85Å; F384-V391 HydrophobicContact CZ-CG2 3.56Å; V391-V393 HydrophobicContact CG1-CG2 4Å
392	E	95.6	Very high	93.2	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126	172.9	-63.8	178.2	122.5	0	0	108.6	Q252 S253 L265 M292 G293 R390	Q252-E392 WeakPolarHBondContact CA-OE2 3.34Å; Q252-E392 WeakPolarHBondContact CB-OE2 3.16Å; Q252-E392 WeakPolarHBondContact CG-OE2 3.35Å; Q252-E392 PolarHBondContact N-OE2 3.27Å; Q252-E392 VanDerWaalsContact N-OE2 3.11Å; S253-E392 VanDerWaalsContact CB-OE1 3.22Å; S253-E392 WeakPolarHBondContact CB-OE1 3.25Å; S253-E392 PolarHBondContact N-OE1 2.97Å; S253-E392 PolarHBondContact N-OE2 3.02Å; S253-E392 PolarHBondContact OG-OE1 3.11Å; L265-E392 CarbonylContact O-C 3.56Å; L265-E392 WeakPolarHBondContact O-CA 3.5Å; M292-E392 CarbonylContact C-O 3.57Å; M292-E392 VanDerWaalsContact CA-O 3.32Å; M292-E392 WeakPolarHBondContact CA-O 3.34Å; G293-E392 PolarHBondContact N-O 3.19Å; G293-E392 PolarHBondContact O-N 2.87Å; R390-E392 HydrophobicContact CG-CG 4.44Å
393	V	96	Very high	91.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.6	-177.6	-174.6	0	0	0	0	108.9	C264 L265 L267 Y285 C290 L291 M292 V391	C264-V393 CarbonylContact C-O 3.54Å; C264-V393 WeakPolarHBondContact CA-O 3.29Å; L265-V393 PolarHBondContact N-O 2.89Å; L265-V393 PolarHBondContact O-N 2.93Å; L267-V393 HydrophobicContact CD1-CG2 4.21Å; Y285-V393 HydrophobicContact CD1-CG1 3.88Å; Y285-V393 HydrophobicContact CD2-CG1 4.17Å; Y285-V393 HydrophobicContact CD2-CG2 3.87Å; Y285-V393 HydrophobicContact CE1-CG1 4.35Å; Y285-V393 HydrophobicContact CE2-CG2 4.11Å; Y285-V393 HydrophobicContact CG-CG1 3.8Å; Y285-V393 HydrophobicContact CG-CG2 4.35Å; C290-V393 HydrophobicContact CB-CG1 4.01Å; L291-V393 CarbonylContact O-C 3.56Å; L291-V393 WeakPolarHBondContact O-CA 3.48Å; M292-V393 HydrophobicContact CG-CB 4.5Å; M292-V393 HydrophobicContact CG-CG1 4.13Å; M292-V393 HydrophobicContact CG-CG2 4.17Å; V391-V393 HydrophobicContact CG1-CG2 4Å
394	C	96	Very high	90.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.6	178.1	-176.1	0	0	0	0	111.2	M256 I263 C264 C290 L291	M256-C394 HydrophobicContact CB-CB 3.69Å; M256-C394 HydrophobicContact CG-CB 4.03Å; M256-C394 HydrophobicContact SD-CB 3.39Å; M256-C394 WeakPolarHBondContact SD-CB 3.44Å; I263-C394 CarbonylContact O-C 3.57Å; I263-C394 WeakPolarHBondContact O-CA 3.29Å; C264-C394 WeakPolarHBondContact SG-CB 3.39Å; C264-C394 VanDerWaalsContact SG-SG 3.6Å; C290-C394 CarbonylContact C-O 3.59Å; C290-C394 WeakPolarHBondContact CA-O 3.45Å; C290-C394 WeakPolarHBondContact CB-O 3.29Å; L291-C394 HydrophobicContact CB-CB 4.26Å; L291-C394 PolarHBondContact N-O 3.14Å; L291-C394 PolarHBondContact O-N 3.33Å
395	H	94.9	Very high	90	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.6	175.9	-66.9	-104.6	0	0	0	110.9	G262 I263 Y285 L413 L463 F550	G262-H395 CarbonylContact C-O 3.5Å; G262-H395 WeakPolarHBondContact CA-O 3.35Å; I263-H395 HydrophobicContact CG2-CB 3.96Å; I263-H395 PolarHBondContact N-O 2.75Å; I263-H395 PolarHBondContact O-N 2.87Å; Y285-H395 AromaticContact CD1-CE1 3.86Å; Y285-H395 AromaticContact CE1-CE1 3.72Å; Y285-H395 AromaticContact CE1-NE2 3.76Å; H395-L413 HydrophobicContact CB-CD1 3.9Å; H395-L463 HydrophobicContact CB-CD2 4.15Å; H395-L463 VanDerWaalsContact CD2-CD2 3.49Å; H395-L463 WeakPolarHBondContact CD2-CD2 3.45Å; H395-F550 HydrophobicContact CB-CD1 4.44Å
396	L	93.3	Very high	89.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.			trans	-94.7	131.6	-178.5	-53.8	175	0	0	0	110.6	L169 T260 C289 S400 F407 L413	L169-L396 HydrophobicContact CD1-CD1 3.88Å; L169-L396 HydrophobicContact CD2-CD1 4.26Å; L169-L396 HydrophobicContact CD2-CD2 4.47Å; T260-L396 HydrophobicContact CG2-CD2 4.18Å; T260-L396 WeakPolarHBondContact OG1-CD2 3.48Å; C289-L396 WeakPolarHBondContact O-CB 3.13Å; C289-L396 WeakPolarHBondContact O-CG 3.26Å; C289-L396 PolarHBondContact O-N 3.14Å; L396-S400 WeakPolarHBondContact CA-OG 3.39Å; L396-F407 HydrophobicContact CD1-CD2 3.9Å; L396-F407 HydrophobicContact CD1-CE2 4.19Å; L396-F407 HydrophobicContact CD1-CG 4.25Å; L396-L413 PolarHBondContact O-N 3.13Å
397	G	89.8	Confident	88.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.			trans	-120.1	-151.3	-173	0	0	0	0	0	113.3	S400 L401 L413 E415 F550	G397-S400 PolarHBondContact N-OG 2.97Å; G397-S400 VanDerWaalsContact N-OG 3.17Å; G397-S400 PolarHBondContact O-N 3.23Å; G397-L401 PolarHBondContact O-N 2.84Å; G397-L413 WeakPolarHBondContact CA-O 3.26Å; G397-E415 WeakPolarHBondContact CA-OE2 3.26Å; G397-F550 VanDerWaalsContact CA-CE1 3.46Å
398	L	85.7	Confident	87.6	Confident	43 Å²	43	32.9 Å²	32.9	23%	0.225	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.2	-179.5	-42	175.4	0	0	0	112.4	S400 R412 E415	L398-S400 PolarHBondContact O-N 2.78Å; L398-R412 HydrophobicContact CD2-CG 4.49Å; L398-R412 VanDerWaalsContact CD2-NH2 3.33Å; L398-R412 PolarHBondContact O-NH1 3.08Å; L398-E415 WeakPolarHBondContact CA-OE1 3.46Å; L398-E415 HydrophobicContact CB-CG 3.94Å; L398-E415 WeakPolarHBondContact CB-OE1 3.49Å; L398-E415 HydrophobicContact CD1-CG 3.93Å; L398-E415 HydrophobicContact CG-CB 4.4Å; L398-E415 HydrophobicContact CG-CG 3.73Å; L398-E415 PolarHBondContact N-OE1 2.85Å; L398-E415 PolarHBondContact N-OE2 2.86Å
399	E	84.9	Confident	86.8	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.075	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.7	172.1	-75.6	-57.4	109.7	0	0	112.6	L67 W194 W199 E415 I417	L67-E399 HydrophobicContact CD1-CG 4.5Å; L67-E399 WeakPolarHBondContact CD1-OE1 3.43Å; W194-E399 PolarHBondContact NE1-OE2 2.74Å; W199-E399 PolarHBondContact NE1-O 3.44Å; E399-E415 VanDerWaalsContact CG-OE1 3.29Å; E399-E415 WeakPolarHBondContact CG-OE1 3.42Å; E399-E415 PolarHBondContact N-OE1 3.23Å; E399-E415 PolarHBondContact N-OE2 3.03Å; E399-I417 HydrophobicContact CG-CD1 3.76Å
400	S	88.8	Confident	86.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-35.4	-175	-53.2	0	0	0	0	115.1	L169 Q172 T260 G262 L396 G397 L398	L169-S400 VanDerWaalsContact CD2-O 3.32Å; L169-S400 WeakPolarHBondContact CD2-O 3.45Å; Q172-S400 PolarHBondContact NE2-O 3.15Å; Q172-S400 PolarHBondContact OE1-O 3.35Å; T260-S400 WeakPolarHBondContact O-CA 3.39Å; T260-S400 WeakPolarHBondContact O-CB 3.38Å; T260-S400 PolarHBondContact O-OG 3.46Å; G262-S400 PolarHBondContact N-OG 3.44Å; L396-S400 WeakPolarHBondContact CA-OG 3.39Å; G397-S400 PolarHBondContact N-OG 2.97Å; G397-S400 VanDerWaalsContact N-OG 3.17Å; G397-S400 PolarHBondContact O-N 3.23Å; L398-S400 PolarHBondContact O-N 2.78Å
401	L	85.3	Confident	85.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	21%	0.206	C	C	.	.	S	Bend	trans	-140.9	144.2	-171.6	-70.8	174.3	0	0	0	108.5	Q168 L169 G397 Q405 F407 R412	Q168-L401 HydrophobicContact CB-CD2 3.65Å; L169-L401 HydrophobicContact CD2-CD2 3.67Å; L169-L401 HydrophobicContact CD2-CG 4.1Å; L169-L401 HydrophobicContact CG-CD2 4.15Å; G397-L401 PolarHBondContact O-N 2.84Å; L401-Q405 HydrophobicContact CB-CB 4.12Å; L401-Q405 HydrophobicContact CD2-CB 4.32Å; L401-F407 HydrophobicContact CD1-CB 4.22Å; L401-R412 HydrophobicContact CB-CB 4.49Å; L401-R412 HydrophobicContact CD1-CB 4.27Å; L401-R412 PolarHBondContact O-NH1 2.87Å
402	E	79.4	Confident	85.3	Confident	57 Å²	57	42.7 Å²	42.7	27%	0.266	21%	0.211	S	C	.	.			trans	-68.5	163.4	172.6	-62.5	-163.9	142.7	0	0	111.7	Y72 K76 N404 Q405	Y72-E402 PolarHBondContact OH-OE1 3.32Å; K76-E402 IonicContact NZ-OE1 3.2Å; K76-E402 PolarHBondContact NZ-OE1 2.96Å; E402-N404 PolarHBondContact O-N 3.43Å; E402-N404 VanDerWaalsContact O-N 3.13Å; E402-Q405 HydrophobicContact CB-CG 4.04Å; E402-Q405 WeakPolarHBondContact O-CB 3.22Å; E402-Q405 PolarHBondContact O-N 2.97Å
403	Y	69.6	Low	85	Confident	97 Å²	97	42.8 Å²	42.8	38%	0.38	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.9	-172.4	75.6	-84.1	0	0	0	115.8	L45 R412	L45-Y403 HydrophobicContact CD1-CD1 4.1Å; L45-Y403 HydrophobicContact CD1-CD2 3.72Å; L45-Y403 HydrophobicContact CD1-CE1 3.94Å; L45-Y403 HydrophobicContact CD1-CE2 3.53Å; L45-Y403 HydrophobicContact CD1-CG 4.01Å; L45-Y403 HydrophobicContact CD2-CD1 4.31Å; L45-Y403 HydrophobicContact CD2-CE1 4.24Å; Y403-R412 VanDerWaalsContact CA-CZ 3.43Å
404	N	75.4	Confident	84.6	Confident	104 Å²	104	43.7 Å²	43.7	56%	0.556	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	0.5	177.8	64.6	-26.1	0	0	0	113.1	E402	E402-N404 PolarHBondContact O-N 3.43Å; E402-N404 VanDerWaalsContact O-N 3.13Å
405	Q	81.4	Confident	84.3	Confident	50 Å²	50	44 Å²	44	23%	0.234	22%	0.218	C	C	.	.			trans	-95.8	148.9	-178.3	-64.6	178.5	-16.1	0	0	111	Q168 L401 E402	Q168-Q405 HydrophobicContact CG-CB 4.32Å; Q168-Q405 HydrophobicContact CG-CG 4.12Å; L401-Q405 HydrophobicContact CB-CB 4.12Å; L401-Q405 HydrophobicContact CD2-CB 4.32Å; E402-Q405 HydrophobicContact CB-CG 4.04Å; E402-Q405 WeakPolarHBondContact O-CB 3.22Å; E402-Q405 PolarHBondContact O-N 2.97Å
406	N	81.5	Confident	84.1	Confident	75 Å²	75	43.9 Å²	43.9	40%	0.401	22%	0.218	S	C	.	.			trans	-137.9	164.2	174.4	64.2	65.6	0	0	0	109.2	G409 K410	N406-G409 VanDerWaalsContact OD1-CA 3.28Å; N406-G409 WeakPolarHBondContact OD1-CA 3.49Å; N406-G409 PolarHBondContact OD1-N 2.84Å; N406-K410 WeakPolarHBondContact CA-O 3.42Å; N406-K410 WeakPolarHBondContact CB-O 3.35Å
407	F	79.4	Confident	83.9	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.035	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-109.5	100	178.5	-173.1	-96.6	0	0	0	109.1	Y166 L169 C289 L291 L396 L401 G409 K410	Y166-F407 AromaticContact CD1-CD2 3.67Å; Y166-F407 HydrophobicContact CD1-CD2 3.67Å; Y166-F407 AromaticContact CD1-CE2 3.19Å; Y166-F407 HydrophobicContact CD1-CE2 3.19Å; Y166-F407 AromaticContact CD1-CZ 3.73Å; Y166-F407 HydrophobicContact CD1-CZ 3.73Å; Y166-F407 AromaticContact CD2-CE2 3.6Å; Y166-F407 HydrophobicContact CD2-CE2 3.6Å; Y166-F407 AromaticContact CD2-CZ 3.97Å; Y166-F407 HydrophobicContact CD2-CZ 3.97Å; Y166-F407 HydrophobicContact CE1-CD1 4.45Å; Y166-F407 AromaticContact CE1-CD2 3.89Å; Y166-F407 HydrophobicContact CE1-CD2 3.89Å; Y166-F407 AromaticContact CE1-CE1 3.85Å; Y166-F407 HydrophobicContact CE1-CE1 3.85Å; Y166-F407 AromaticContact CE1-CE2 3.21Å; Y166-F407 HydrophobicContact CE1-CE2 3.21Å; Y166-F407 HydrophobicContact CE1-CG 4.47Å; Y166-F407 AromaticContact CE1-CZ 3.18Å; Y166-F407 HydrophobicContact CE1-CZ 3.18Å; Y166-F407 AromaticContact CE2-CE2 3.68Å; Y166-F407 HydrophobicContact CE2-CE2 3.68Å; Y166-F407 AromaticContact CE2-CZ 3.53Å; Y166-F407 HydrophobicContact CE2-CZ 3.53Å; Y166-F407 HydrophobicContact CG-CD2 4.09Å; Y166-F407 AromaticContact CG-CE2 3.37Å; Y166-F407 HydrophobicContact CG-CE2 3.37Å; Y166-F407 HydrophobicContact CG-CZ 4.08Å; Y166-F407 AromaticContact CZ-CE1 3.94Å; Y166-F407 AromaticContact CZ-CE2 3.5Å; Y166-F407 VanDerWaalsContact CZ-CE2 3.5Å; Y166-F407 AromaticContact CZ-CZ 3.1Å; Y166-F407 WeakPolarHBondContact OH-CZ 3.3Å; L169-F407 HydrophobicContact CD1-CD2 4.11Å; L169-F407 HydrophobicContact CD1-CE2 3.82Å; C289-F407 HydrophobicContact CB-CB 4.38Å; C289-F407 WeakPolarHBondContact SG-CB 3.45Å; L291-F407 HydrophobicContact CD2-CE2 3.94Å; L291-F407 HydrophobicContact CD2-CZ 3.56Å; L396-F407 HydrophobicContact CD1-CD2 3.9Å; L396-F407 HydrophobicContact CD1-CE2 4.19Å; L396-F407 HydrophobicContact CD1-CG 4.25Å; L401-F407 HydrophobicContact CD1-CB 4.22Å; F407-G409 VanDerWaalsContact C-N 3.31Å; F407-G409 PolarHBondContact O-N 3.22Å; F407-K410 HydrophobicContact CD1-CD 4.42Å; F407-K410 PolarHBondContact N-O 3.4Å; F407-K410 WeakPolarHBondContact O-CA 3.29Å; F407-K410 WeakPolarHBondContact O-CB 3.22Å; F407-K410 WeakPolarHBondContact O-CD 3.33Å; F407-K410 WeakPolarHBondContact O-CG 3.32Å; F407-K410 PolarHBondContact O-N 2.8Å
408	H	77.9	Confident	84	Confident	135 Å²	135	44.6 Å²	44.6	63%	0.625	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	42.4	-172.5	-70.7	-50.4	0	0	0	114.3	Y166 K410	Y166-H408 AromaticContact CE1-CD2 3.44Å; Y166-H408 VanDerWaalsContact CE1-CD2 3.44Å; Y166-H408 WeakPolarHBondContact CE1-CD2 3.45Å; Y166-H408 AromaticContact CE1-CE1 3.89Å; Y166-H408 AromaticContact CE1-NE2 3.19Å; Y166-H408 WeakPolarHBondContact CE1-NE2 3.37Å; Y166-H408 AromaticContact CZ-NE2 3.73Å; Y166-H408 PolarHBondContact OH-NE2 3.01Å; H408-K410 PolarHBondContact O-N 2.93Å
409	G	80	Confident	84.1	Confident	63 Å²	63	46.8 Å²	46.8	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2.8	-175.8	0	0	0	0	0	114	N406 F407	N406-G409 VanDerWaalsContact OD1-CA 3.28Å; N406-G409 WeakPolarHBondContact OD1-CA 3.49Å; N406-G409 PolarHBondContact OD1-N 2.84Å; F407-G409 VanDerWaalsContact C-N 3.31Å; F407-G409 PolarHBondContact O-N 3.22Å
410	K	84.4	Confident	84.4	Confident	52 Å²	52	46.9 Å²	46.9	23%	0.226	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-89.5	133.2	178.6	-48.4	168.9	176.8	179.3	0	110	A286 Q287 R288 C289 N406 F407 H408	A286-K410 WeakPolarHBondContact O-CE 3.47Å; A286-K410 PolarHBondContact O-NZ 3.36Å; Q287-K410 VanDerWaalsContact O-CD 3.25Å; Q287-K410 WeakPolarHBondContact O-CD 3.49Å; Q287-K410 WeakPolarHBondContact O-CE 3.41Å; Q287-K410 WeakPolarHBondContact O-CG 3.48Å; R288-K410 WeakPolarHBondContact O-CD 3.37Å; R288-K410 PolarHBondContact O-NZ 3.44Å; C289-K410 HydrophobicContact CB-CB 4.13Å; N406-K410 WeakPolarHBondContact CA-O 3.42Å; N406-K410 WeakPolarHBondContact CB-O 3.35Å; F407-K410 HydrophobicContact CD1-CD 4.42Å; F407-K410 PolarHBondContact N-O 3.4Å; F407-K410 WeakPolarHBondContact O-CA 3.29Å; F407-K410 WeakPolarHBondContact O-CB 3.22Å; F407-K410 WeakPolarHBondContact O-CD 3.33Å; F407-K410 WeakPolarHBondContact O-CG 3.32Å; F407-K410 PolarHBondContact O-N 2.8Å; H408-K410 PolarHBondContact O-N 2.93Å
411	R	84.1	Confident	84.6	Confident	150 Å²	150	50.8 Å²	50.8	57%	0.566	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-76.6	136.4	-176.4	-167.7	-170.1	170.7	-166.7	-5.9	110.5	C289	C289-R411 WeakPolarHBondContact CB-O 3.39Å
412	R	87.4	Confident	85.1	Confident	29 Å²	29	50.7 Å²	50.7	11%	0.109	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58.8	153.1	167.1	68.2	-174.1	-179.5	147.4	13.5	110.7	L398 L401 Y403	L398-R412 HydrophobicContact CD2-CG 4.49Å; L398-R412 VanDerWaalsContact CD2-NH2 3.33Å; L398-R412 PolarHBondContact O-NH1 3.08Å; L401-R412 HydrophobicContact CB-CB 4.49Å; L401-R412 HydrophobicContact CD1-CB 4.27Å; L401-R412 PolarHBondContact O-NH1 2.87Å; Y403-R412 VanDerWaalsContact CA-CZ 3.43Å
413	L	89.7	Confident	85.7	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-73.7	156.1	172.4	-62.6	-169.6	0	0	0	110.8	H395 L396 G397 F550 S551 Q552	H395-L413 HydrophobicContact CB-CD1 3.9Å; L396-L413 PolarHBondContact O-N 3.13Å; G397-L413 WeakPolarHBondContact CA-O 3.26Å; L413-F550 HydrophobicContact CB-CD1 3.95Å; L413-F550 HydrophobicContact CD1-CB 4.19Å; L413-F550 HydrophobicContact CD1-CD1 4.11Å; L413-S551 WeakPolarHBondContact CA-O 3.35Å; L413-S551 WeakPolarHBondContact CB-O 3.45Å; L413-Q552 HydrophobicContact CD2-CB 4.43Å; L413-Q552 HydrophobicContact CD2-CG 3.91Å
414	D	88.6	Confident	86.8	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151.9	164.5	-155.4	38.4	0	0	0	109.7	F550 S551 T553 S554 I555	D414-F550 WeakPolarHBondContact O-CA 3.14Å; D414-S551 PolarHBondContact N-O 2.53Å; D414-S551 PolarHBondContact O-N 2.78Å; D414-T553 VanDerWaalsContact CB-O 3.29Å; D414-T553 WeakPolarHBondContact CB-O 3.42Å; D414-S554 WeakPolarHBondContact OD2-CA 3.48Å; D414-I555 PolarHBondContact OD2-N 3.42Å
415	E	88.7	Confident	87.5	Confident	7 Å²	7	44.9 Å²	44.9	3%	0.033	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.5	-176.8	85.2	-164.3	175.9	0	0	113.3	G397 L398 E399 I417 V549 F550	G397-E415 WeakPolarHBondContact CA-OE2 3.26Å; L398-E415 WeakPolarHBondContact CA-OE1 3.46Å; L398-E415 HydrophobicContact CB-CG 3.94Å; L398-E415 WeakPolarHBondContact CB-OE1 3.49Å; L398-E415 HydrophobicContact CD1-CG 3.93Å; L398-E415 HydrophobicContact CG-CB 4.4Å; L398-E415 HydrophobicContact CG-CG 3.73Å; L398-E415 PolarHBondContact N-OE1 2.85Å; L398-E415 PolarHBondContact N-OE2 2.86Å; E399-E415 VanDerWaalsContact CG-OE1 3.29Å; E399-E415 WeakPolarHBondContact CG-OE1 3.42Å; E399-E415 PolarHBondContact N-OE1 3.23Å; E399-E415 PolarHBondContact N-OE2 3.03Å; E415-I417 HydrophobicContact CG-CG1 4.37Å; E415-V549 CarbonylContact C-O 3.59Å; E415-V549 WeakPolarHBondContact CA-O 3.43Å; E415-F550 HydrophobicContact CB-CD1 4.48Å; E415-F550 HydrophobicContact CB-CD2 3.9Å; E415-F550 HydrophobicContact CB-CE1 4.39Å; E415-F550 HydrophobicContact CB-CE2 3.74Å; E415-F550 HydrophobicContact CB-CG 4.25Å; E415-F550 HydrophobicContact CB-CZ 4.01Å; E415-F550 WeakPolarHBondContact OE2-CZ 3.32Å
416	A	90.2	Very high	88.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.4	165.6	0	0	0	0	0	109.4	F418 R548 V549 I555 E557	A416-F418 HydrophobicContact CB-CE2 4.33Å; A416-R548 CarbonylContact O-C 3.52Å; A416-R548 WeakPolarHBondContact O-CA 3.23Å; A416-V549 HydrophobicContact CB-CB 4.42Å; A416-V549 PolarHBondContact N-O 2.88Å; A416-V549 PolarHBondContact O-N 3.45Å; A416-I555 HydrophobicContact CB-CG2 3.96Å; A416-E557 HydrophobicContact CB-CB 3.77Å; A416-E557 HydrophobicContact CB-CG 4.07Å
417	I	89.5	Confident	88.7	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.8	178	-54	-169.2	0	0	0	109.7	L67 E399 E415 L547 R548	L67-I417 HydrophobicContact CD1-CB 4Å; L67-I417 HydrophobicContact CD1-CD1 3.66Å; L67-I417 HydrophobicContact CD1-CG1 4.01Å; E399-I417 HydrophobicContact CG-CD1 3.76Å; E415-I417 HydrophobicContact CG-CG1 4.37Å; I417-L547 WeakPolarHBondContact CA-O 3.31Å; I417-R548 HydrophobicContact CD1-CG 4.46Å; I417-R548 HydrophobicContact CG1-CG 4.28Å; I417-R548 HydrophobicContact CG2-CG 4.45Å
418	F	91.1	Very high	89.5	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.7	172	-51.8	-88.6	0	0	0	109.7	T66 A416 F444 I446 I546 L547 V549 E557	T66-F418 HydrophobicContact CG2-CD1 4.05Å; T66-F418 HydrophobicContact CG2-CE1 4.27Å; A416-F418 HydrophobicContact CB-CE2 4.33Å; F418-F444 HydrophobicContact CB-CD1 3.75Å; F418-F444 HydrophobicContact CB-CE1 3.55Å; F418-F444 HydrophobicContact CB-CG 4.32Å; F418-F444 HydrophobicContact CB-CZ 3.97Å; F418-F444 HydrophobicContact CD1-CB 4.39Å; F418-F444 AromaticContact CD1-CD1 3.22Å; F418-F444 HydrophobicContact CD1-CD1 3.22Å; F418-F444 AromaticContact CD1-CE1 3.71Å; F418-F444 HydrophobicContact CD1-CE1 3.71Å; F418-F444 HydrophobicContact CD1-CG 4.03Å; F418-F444 HydrophobicContact CD2-CB 4.16Å; F418-F444 HydrophobicContact CD2-CD1 4.04Å; F418-F444 HydrophobicContact CD2-CG 4.06Å; F418-F444 HydrophobicContact CE1-CB 4.1Å; F418-F444 AromaticContact CE1-CD1 3.63Å; F418-F444 HydrophobicContact CE1-CD1 3.63Å; F418-F444 HydrophobicContact CE1-CG 4.23Å; F418-F444 HydrophobicContact CE2-CB 3.87Å; F418-F444 HydrophobicContact CE2-CD1 4.38Å; F418-F444 HydrophobicContact CE2-CG 4.26Å; F418-F444 HydrophobicContact CG-CB 4.37Å; F418-F444 AromaticContact CG-CD1 3.41Å; F418-F444 HydrophobicContact CG-CD1 3.41Å; F418-F444 VanDerWaalsContact CG-CD1 3.41Å; F418-F444 AromaticContact CG-CE1 3.77Å; F418-F444 HydrophobicContact CG-CE1 3.77Å; F418-F444 AromaticContact CG-CG 3.89Å; F418-F444 HydrophobicContact CG-CG 3.89Å; F418-F444 HydrophobicContact CZ-CB 3.77Å; F418-F444 HydrophobicContact CZ-CD1 4.14Å; F418-F444 HydrophobicContact CZ-CG 4.29Å; F418-I446 HydrophobicContact CE2-CG2 4.05Å; F418-I446 HydrophobicContact CZ-CG2 4.12Å; F418-I546 CarbonylContact O-C 3.53Å; F418-I546 VanDerWaalsContact O-CA 3.24Å; F418-I546 WeakPolarHBondContact O-CA 3.31Å; F418-L547 HydrophobicContact CB-CB 4.27Å; F418-L547 HydrophobicContact CD2-CB 4.29Å; F418-L547 HydrophobicContact CD2-CD2 3.96Å; F418-L547 HydrophobicContact CD2-CG 4.33Å; F418-L547 HydrophobicContact CE2-CD2 4.4Å; F418-L547 PolarHBondContact N-O 3.37Å; F418-L547 PolarHBondContact O-N 3.31Å; F418-V549 HydrophobicContact CE2-CG2 4.46Å; F418-E557 HydrophobicContact CE1-CB 3.94Å; F418-E557 HydrophobicContact CE1-CG 3.99Å; F418-E557 HydrophobicContact CE2-CB 4.41Å; F418-E557 HydrophobicContact CZ-CB 3.56Å; F418-E557 HydrophobicContact CZ-CG 4.07Å
419	S	89.2	Confident	90.4	Very high	89 Å²	89	32.8 Å²	32.8	62%	0.622	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.8	168.5	-60.5	0	0	0	0	108.4
420	G	90.5	Very high	91.2	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	177	-177.6	0	0	0	0	0	112.6	F545	G420-F545 VanDerWaalsContact C-CE1 3.44Å; G420-F545 PolarHBondContact N-O 3.3Å; G420-F545 PolarHBondContact O-N 2.97Å; G420-F545 VanDerWaalsContact O-O 3.12Å
421	Q	92.7	Very high	91.7	Very high	82 Å²	82	27.5 Å²	27.5	38%	0.383	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.3	175.1	55.3	180	7.1	0	0	109.2	Q423 N427 V543 N544	Q421-Q423 HydrophobicContact CB-CG 4.5Å; Q421-Q423 HydrophobicContact CG-CG 3.86Å; Q421-N427 PolarHBondContact O-ND2 2.88Å; Q421-N427 PolarHBondContact O-OD1 3.29Å; Q421-V543 WeakPolarHBondContact CA-O 3.36Å; Q421-N544 WeakPolarHBondContact CB-OD1 3.31Å
422	W	95.4	Very high	92.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	162.5	-60.4	-73.1	0	0	0	107.7	N427 A428 L466 I482 P534 T536 I541 E542 V543 F545	W422-N427 WeakPolarHBondContact CA-OD1 3.32Å; W422-A428 HydrophobicContact CB-CB 3.92Å; W422-L466 HydrophobicContact CH2-CD1 4.06Å; W422-L466 HydrophobicContact CH2-CD2 4.06Å; W422-L466 HydrophobicContact CH2-CG 4.33Å; W422-L466 HydrophobicContact CZ2-CD1 4.35Å; W422-L466 HydrophobicContact CZ2-CD2 4.19Å; W422-I482 HydrophobicContact CH2-CB 4.43Å; W422-I482 HydrophobicContact CH2-CG2 3.86Å; W422-I482 HydrophobicContact CZ3-CG2 4.03Å; W422-P534 HydrophobicContact CZ2-CB 3.98Å; W422-P534 PolarHBondContact NE1-O 2.95Å; W422-T536 HydrophobicContact CD2-CG2 4.04Å; W422-T536 HydrophobicContact CE3-CG2 3.9Å; W422-T536 HydrophobicContact CG-CG2 4.49Å; W422-T536 HydrophobicContact CZ3-CG2 4.23Å; W422-I541 WeakPolarHBondContact CB-O 2.89Å; W422-E542 VanDerWaalsContact O-CA 3.28Å; W422-E542 WeakPolarHBondContact O-CA 3.49Å; W422-V543 HydrophobicContact CE3-CB 3.83Å; W422-V543 HydrophobicContact CE3-CG1 4.23Å; W422-V543 HydrophobicContact CZ3-CB 4.11Å; W422-V543 HydrophobicContact CZ3-CG1 4.05Å; W422-V543 PolarHBondContact N-O 3.03Å; W422-V543 PolarHBondContact O-N 3.01Å; W422-F545 AromaticContact CD2-CD1 3.7Å; W422-F545 HydrophobicContact CD2-CD1 3.7Å; W422-F545 AromaticContact CD2-CE1 3.85Å; W422-F545 HydrophobicContact CD2-CE1 3.85Å; W422-F545 AromaticContact CE2-CD1 3.76Å; W422-F545 AromaticContact CE2-CE1 3.7Å; W422-F545 AromaticContact CE3-CD1 3.54Å; W422-F545 HydrophobicContact CE3-CD1 3.54Å; W422-F545 HydrophobicContact CE3-CE1 4.19Å; W422-F545 HydrophobicContact CE3-CG 4.4Å; W422-F545 HydrophobicContact CG-CE1 4.34Å; W422-F545 HydrophobicContact CH2-CB 3.87Å; W422-F545 AromaticContact CH2-CD1 3.64Å; W422-F545 HydrophobicContact CH2-CD1 3.64Å; W422-F545 HydrophobicContact CH2-CE1 4.34Å; W422-F545 AromaticContact CH2-CG 3.82Å; W422-F545 HydrophobicContact CH2-CG 3.82Å; W422-F545 AromaticContact CZ2-CD1 3.76Å; W422-F545 HydrophobicContact CZ2-CD1 3.76Å; W422-F545 AromaticContact CZ2-CE1 3.99Å; W422-F545 HydrophobicContact CZ2-CE1 3.99Å; W422-F545 HydrophobicContact CZ2-CG 4.19Å; W422-F545 HydrophobicContact CZ3-CB 3.76Å; W422-F545 AromaticContact CZ3-CD1 3.52Å; W422-F545 HydrophobicContact CZ3-CD1 3.52Å; W422-F545 HydrophobicContact CZ3-CE1 4.43Å; W422-F545 AromaticContact CZ3-CG 3.93Å; W422-F545 HydrophobicContact CZ3-CG 3.93Å
423	Q	93.2	Very high	92.6	Very high	36 Å²	36	26.8 Å²	26.8	17%	0.168	14%	0.143	C	C	.	.			trans	-116.8	131.8	-179.9	-66.8	-176.8	-90.3	0	0	108.8	Q421 N425 V426 N427 A428	Q421-Q423 HydrophobicContact CB-CG 4.5Å; Q421-Q423 HydrophobicContact CG-CG 3.86Å; Q423-N425 PolarHBondContact O-N 2.8Å; Q423-V426 HydrophobicContact CB-CB 3.95Å; Q423-V426 HydrophobicContact CB-CG1 4.42Å; Q423-V426 HydrophobicContact CB-CG2 4.41Å; Q423-V426 PolarHBondContact O-N 3.45Å; Q423-N427 PolarHBondContact N-OD1 3.04Å; Q423-N427 PolarHBondContact O-N 2.86Å; Q423-A428 WeakPolarHBondContact O-CB 3.43Å; Q423-A428 PolarHBondContact O-N 3.25Å
424	R	92.6	Very high	92.9	Very high	91 Å²	91	28 Å²	28	34%	0.343	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	137.3	179.8	-175.9	169.8	-170.2	-70.7	-5.6	109.9	V426 N540 E542 D712	R424-V426 PolarHBondContact O-N 3.36Å; R424-N540 HydrophobicContact CG-CB 3.94Å; R424-E542 HydrophobicContact CB-CG 3.69Å; R424-E542 PolarHBondContact N-OE1 2.78Å; R424-D712 IonicContact CZ-OD1 3.47Å; R424-D712 VanDerWaalsContact CZ-OD1 3.22Å; R424-D712 IonicContact CZ-OD2 3.49Å; R424-D712 IonicContact NH1-OD1 3.61Å; R424-D712 PolarHBondContact NH1-OD1 3.08Å; R424-D712 IonicContact NH1-OD2 3.65Å; R424-D712 IonicContact NH2-OD1 2.95Å; R424-D712 PolarHBondContact NH2-OD1 3.23Å; R424-D712 IonicContact NH2-OD2 2.84Å; R424-D712 PolarHBondContact NH2-OD2 3.27Å
425	N	90.9	Very high	93.1	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.048	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	8.9	178	-65.3	-5.1	0	0	0	115.5	Q423 N540 A680 I703 Q707 D712	Q423-N425 PolarHBondContact O-N 2.8Å; N425-N540 PolarHBondContact N-OD1 2.61Å; N425-N540 PolarHBondContact OD1-ND2 3.39Å; N425-N540 VanDerWaalsContact OD1-ND2 3.12Å; N425-N540 PolarHBondContact OD1-OD1 2.78Å; N425-A680 HydrophobicContact CB-CB 3.45Å; N425-A680 VanDerWaalsContact CB-CB 3.45Å; N425-I703 HydrophobicContact CB-CG2 4.11Å; N425-Q707 PolarHBondContact ND2-OE1 2.97Å; N425-D712 PolarHBondContact ND2-OD1 3.43Å
426	V	92.8	Very high	93.2	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-65.1	-178.1	170.1	0	0	0	0	110.8	Q423 R424 R684 N696 I699 N700	Q423-V426 HydrophobicContact CB-CB 3.95Å; Q423-V426 HydrophobicContact CB-CG1 4.42Å; Q423-V426 HydrophobicContact CB-CG2 4.41Å; Q423-V426 PolarHBondContact O-N 3.45Å; R424-V426 PolarHBondContact O-N 3.36Å; V426-R684 PolarHBondContact O-NH1 3.41Å; V426-N696 HydrophobicContact CG1-CB 4.48Å; V426-I699 HydrophobicContact CG1-CG2 3.82Å; V426-N700 HydrophobicContact CG1-CB 4.28Å; V426-N700 HydrophobicContact CG2-CB 3.86Å
427	N	94.6	Very high	93.4	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.1	8.1	-175.5	68.1	-1.4	0	0	0	112.5	Q421 W422 Q423 G429 T440 S441 P442	Q421-N427 PolarHBondContact O-ND2 2.88Å; Q421-N427 PolarHBondContact O-OD1 3.29Å; W422-N427 WeakPolarHBondContact CA-OD1 3.32Å; Q423-N427 PolarHBondContact N-OD1 3.04Å; Q423-N427 PolarHBondContact O-N 2.86Å; N427-G429 PolarHBondContact O-N 2.84Å; N427-T440 VanDerWaalsContact CA-O 3.23Å; N427-T440 WeakPolarHBondContact CA-O 3.33Å; N427-T440 WeakPolarHBondContact CB-O 3.07Å; N427-S441 VanDerWaalsContact O-CA 3.27Å; N427-S441 WeakPolarHBondContact O-CA 2.97Å; N427-P442 WeakPolarHBondContact O-CD 3.41Å
428	A	95.9	Very high	93.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.			trans	-79.9	62.5	172.9	0	0	0	0	0	110.9	W422 Q423 G430 P539 N540 Y681	W422-A428 HydrophobicContact CB-CB 3.92Å; Q423-A428 WeakPolarHBondContact O-CB 3.43Å; Q423-A428 PolarHBondContact O-N 3.25Å; A428-G430 VanDerWaalsContact C-N 3.27Å; A428-G430 PolarHBondContact O-N 2.79Å; A428-P539 CarbonylContact O-C 3.3Å; A428-P539 VanDerWaalsContact O-CA 3.29Å; A428-P539 WeakPolarHBondContact O-CA 3.04Å; A428-N540 PolarHBondContact O-N 2.9Å; A428-Y681 PolarHBondContact O-OH 2.88Å
429	G	96.1	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	-71	-12.1	-170.5	0	0	0	0	0	116.2	N427 N434 T437 Y438	N427-G429 PolarHBondContact O-N 2.84Å; G429-N434 WeakPolarHBondContact O-CB 3.03Å; G429-T437 VanDerWaalsContact CA-O 3.23Å; G429-T437 WeakPolarHBondContact CA-O 3.31Å; G429-T437 CarbonylContact O-C 3.43Å; G429-T437 WeakPolarHBondContact O-CB 3.42Å; G429-T437 PolarHBondContact O-OG1 2.98Å; G429-Y438 PolarHBondContact O-N 3.24Å
430	G	96.9	Very high	94.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.			trans	70	-177.9	-172.6	0	0	0	0	0	112.4	A428 Y438 S535 T536	A428-G430 VanDerWaalsContact C-N 3.27Å; A428-G430 PolarHBondContact O-N 2.79Å; G430-Y438 VanDerWaalsContact O-CD2 3.26Å; G430-Y438 WeakPolarHBondContact O-CD2 3.39Å; G430-S535 WeakPolarHBondContact O-CB 3.48Å; G430-S535 PolarHBondContact O-OG 2.8Å; G430-T536 CarbonylContact C-O 3.56Å; G430-T536 WeakPolarHBondContact CA-O 3.37Å
431	C	96.5	Very high	94.4	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.027	16%	0.161	C	C	.	.	S	Bend	trans	-73.5	173.3	-178.9	72.9	0	0	0	0	112.7	N433 N434 F513 S535 T536 F537	C431-N433 PolarHBondContact O-N 3.39Å; C431-N434 PolarHBondContact N-ND2 3.44Å; C431-N434 WeakPolarHBondContact O-CB 3.34Å; C431-N434 PolarHBondContact O-N 3.11Å; C431-N434 PolarHBondContact O-ND2 2.92Å; C431-F513 HydrophobicContact CB-CD1 4.39Å; C431-F513 HydrophobicContact CB-CE1 3.71Å; C431-F513 HydrophobicContact CB-CE2 4.31Å; C431-F513 HydrophobicContact CB-CZ 3.67Å; C431-S535 WeakPolarHBondContact CA-OG 3.17Å; C431-T536 PolarHBondContact N-O 3.23Å; C431-F537 HydrophobicContact CB-CD2 4.48Å; C431-F537 PolarHBondContact N-O 2.69Å; C431-F537 PolarHBondContact SG-O 3.04Å
432	I	94.5	Very high	94.7	Very high	46 Å²	46	30.8 Å²	30.8	24%	0.236	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.3	-177.2	-166.9	152.4	0	0	0	115.4	N434 Y438 M485 Y487	I432-N434 PolarHBondContact O-N 3.04Å; I432-Y438 HydrophobicContact CB-CD1 4.13Å; I432-Y438 HydrophobicContact CB-CE1 4.1Å; I432-Y438 HydrophobicContact CB-CG 4.33Å; I432-Y438 HydrophobicContact CD1-CD1 4.29Å; I432-Y438 HydrophobicContact CD1-CE1 3.9Å; I432-Y438 HydrophobicContact CG1-CD1 4.01Å; I432-Y438 HydrophobicContact CG1-CE1 4.06Å; I432-M485 HydrophobicContact CG2-CE 3.8Å; I432-Y487 VanDerWaalsContact CD1-OH 3.31Å; I432-Y487 WeakPolarHBondContact CD1-OH 3.47Å
433	N	95.3	Very high	94.8	Very high	118 Å²	118	30.7 Å²	30.7	63%	0.631	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26	171.8	-64.5	-26.4	0	0	0	111.6	C431 R435	C431-N433 PolarHBondContact O-N 3.39Å; N433-R435 VanDerWaalsContact C-N 3.32Å; N433-R435 PolarHBondContact O-N 2.78Å; N433-R435 VanDerWaalsContact O-N 3.11Å
434	N	95.4	Very high	94.9	Very high	39 Å²	39	29 Å²	29	21%	0.209	14%	0.137	C	C	.	.			trans	-85	70.6	173.6	-53.5	-76.4	0	0	0	110.3	G429 C431 I432 T436 T437 Y438 F537 P539	G429-N434 WeakPolarHBondContact O-CB 3.03Å; C431-N434 PolarHBondContact N-ND2 3.44Å; C431-N434 WeakPolarHBondContact O-CB 3.34Å; C431-N434 PolarHBondContact O-N 3.11Å; C431-N434 PolarHBondContact O-ND2 2.92Å; I432-N434 PolarHBondContact O-N 3.04Å; N434-T436 PolarHBondContact O-N 3.45Å; N434-T437 WeakPolarHBondContact CB-OG1 3.36Å; N434-T437 PolarHBondContact O-N 3.12Å; N434-T437 VanDerWaalsContact O-N 3.08Å; N434-Y438 VanDerWaalsContact O-CB 3.31Å; N434-Y438 WeakPolarHBondContact O-CB 3.35Å; N434-Y438 PolarHBondContact O-N 3.19Å; N434-F537 PolarHBondContact ND2-O 2.93Å; N434-P539 WeakPolarHBondContact OD1-CD 3.42Å
435	R	93.5	Very high	95.1	Very high	180 Å²	180	26.6 Å²	26.6	68%	0.679	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.3	-171.4	-67.7	-173.2	-179.8	-168.1	0.2	115.6	N433 R499 L503	N433-R435 VanDerWaalsContact C-N 3.32Å; N433-R435 PolarHBondContact O-N 2.78Å; N433-R435 VanDerWaalsContact O-N 3.11Å; R435-R499 PolarHBondContact O-NE 3.39Å; R435-R499 VanDerWaalsContact O-NE 3.07Å; R435-L503 HydrophobicContact CB-CD2 3.98Å; R435-L503 HydrophobicContact CG-CD2 3.98Å
436	T	90.7	Very high	95.3	Very high	74 Å²	74	26.2 Å²	26.2	45%	0.454	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-35.4	177.5	42.5	0	0	0	0	112.2	N434 W439	N434-T436 PolarHBondContact O-N 3.45Å; T436-W439 PolarHBondContact O-NE1 2.64Å
437	T	94.1	Very high	95.4	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.049	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-22.1	-164.9	56	0	0	0	0	113.6	G429 N434 W439 T440 Y681	G429-T437 VanDerWaalsContact CA-O 3.23Å; G429-T437 WeakPolarHBondContact CA-O 3.31Å; G429-T437 CarbonylContact O-C 3.43Å; G429-T437 WeakPolarHBondContact O-CB 3.42Å; G429-T437 PolarHBondContact O-OG1 2.98Å; N434-T437 WeakPolarHBondContact CB-OG1 3.36Å; N434-T437 PolarHBondContact O-N 3.12Å; N434-T437 VanDerWaalsContact O-N 3.08Å; T437-W439 PolarHBondContact O-N 2.87Å; T437-W439 VanDerWaalsContact O-N 3.1Å; T437-T440 WeakPolarHBondContact O-CB 3.12Å; T437-T440 PolarHBondContact O-N 3.01Å; T437-T440 PolarHBondContact O-OG1 2.85Å; T437-Y681 HydrophobicContact CG2-CD1 3.38Å; T437-Y681 HydrophobicContact CG2-CD2 3.53Å; T437-Y681 HydrophobicContact CG2-CE1 3.43Å; T437-Y681 VanDerWaalsContact CG2-CE1 3.43Å; T437-Y681 HydrophobicContact CG2-CE2 3.61Å; T437-Y681 HydrophobicContact CG2-CG 3.42Å; T437-Y681 VanDerWaalsContact CG2-CG 3.42Å
438	Y	96.3	Very high	95.4	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.027	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-50.4	-40.4	-175.1	170.3	-119.3	0	0	0	114.1	G429 G430 I432 N434 T440 S441 M485 Y487 L502 I533	G429-Y438 PolarHBondContact O-N 3.24Å; G430-Y438 VanDerWaalsContact O-CD2 3.26Å; G430-Y438 WeakPolarHBondContact O-CD2 3.39Å; I432-Y438 HydrophobicContact CB-CD1 4.13Å; I432-Y438 HydrophobicContact CB-CE1 4.1Å; I432-Y438 HydrophobicContact CB-CG 4.33Å; I432-Y438 HydrophobicContact CD1-CD1 4.29Å; I432-Y438 HydrophobicContact CD1-CE1 3.9Å; I432-Y438 HydrophobicContact CG1-CD1 4.01Å; I432-Y438 HydrophobicContact CG1-CE1 4.06Å; N434-Y438 VanDerWaalsContact O-CB 3.31Å; N434-Y438 WeakPolarHBondContact O-CB 3.35Å; N434-Y438 PolarHBondContact O-N 3.19Å; Y438-T440 PolarHBondContact O-N 2.89Å; Y438-S441 WeakPolarHBondContact O-CB 3.11Å; Y438-S441 PolarHBondContact O-N 2.79Å; Y438-S441 PolarHBondContact O-OG 3.03Å; Y438-M485 VanDerWaalsContact OH-CB 3.23Å; Y438-M485 WeakPolarHBondContact OH-CB 3.43Å; Y438-M485 VanDerWaalsContact OH-CG 3.31Å; Y438-M485 WeakPolarHBondContact OH-CG 3.32Å; Y438-Y487 WeakPolarHBondContact CE1-OH 3.27Å; Y438-Y487 WeakPolarHBondContact OH-CE2 3.35Å; Y438-Y487 PolarHBondContact OH-OH 3.17Å; Y438-L502 HydrophobicContact CD1-CD1 4.13Å; Y438-L502 HydrophobicContact CE1-CB 4.49Å; Y438-L502 HydrophobicContact CE1-CD1 4.04Å; Y438-L502 HydrophobicContact CE1-CD2 4.42Å; Y438-I533 HydrophobicContact CE1-CD1 4.43Å; Y438-I533 HydrophobicContact CE2-CB 4.43Å; Y438-I533 HydrophobicContact CE2-CG2 3.7Å
439	W	94.7	Very high	95	Very high	12 Å²	12	32 Å²	32	5%	0.045	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.3	-178.2	71.2	-86.6	0	0	0	114.1	T436 T437 S441 Q443 R499 L502 R684 E685	T436-W439 PolarHBondContact O-NE1 2.64Å; T437-W439 PolarHBondContact O-N 2.87Å; T437-W439 VanDerWaalsContact O-N 3.1Å; W439-S441 PolarHBondContact O-N 2.64Å; W439-Q443 PolarHBondContact O-NE2 2.98Å; W439-R499 HydrophobicContact CB-CB 4.21Å; W439-R499 HydrophobicContact CD2-CB 4.27Å; W439-R499 HydrophobicContact CG-CB 3.75Å; W439-R499 HydrophobicContact CG-CG 4.34Å; W439-L502 HydrophobicContact CB-CD1 3.69Å; W439-R684 HydrophobicContact CH2-CG 4.14Å; W439-E685 HydrophobicContact CZ2-CG 4.2Å
440	T	94.5	Very high	94.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-75.8	-14.1	175.7	68.5	0	0	0	0	112.8	N427 T437 Y438 Y681	N427-T440 VanDerWaalsContact CA-O 3.23Å; N427-T440 WeakPolarHBondContact CA-O 3.33Å; N427-T440 WeakPolarHBondContact CB-O 3.07Å; T437-T440 WeakPolarHBondContact O-CB 3.12Å; T437-T440 PolarHBondContact O-N 3.01Å; T437-T440 PolarHBondContact O-OG1 2.85Å; Y438-T440 PolarHBondContact O-N 2.89Å; T440-Y681 HydrophobicContact CG2-CD1 4.33Å; T440-Y681 HydrophobicContact CG2-CE1 4.46Å
441	S	96.8	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-57.2	148.7	177.5	-54.3	0	0	0	0	111.1	N427 Y438 W439 Q443	N427-S441 VanDerWaalsContact O-CA 3.27Å; N427-S441 WeakPolarHBondContact O-CA 2.97Å; Y438-S441 WeakPolarHBondContact O-CB 3.11Å; Y438-S441 PolarHBondContact O-N 2.79Å; Y438-S441 PolarHBondContact O-OG 3.03Å; W439-S441 PolarHBondContact O-N 2.64Å; S441-Q443 VanDerWaalsContact O-CG 3.23Å; S441-Q443 WeakPolarHBondContact O-CG 2.93Å; S441-Q443 PolarHBondContact O-N 2.8Å
442	P	97.4	Very high	94.3	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.045	19%	0.185	C	C	.	.			trans	-49.2	135.9	175.2	-27.8	35.6	0	0	0	111.3	N427 F444 P534 F545	N427-P442 WeakPolarHBondContact O-CD 3.41Å; P442-F444 HydrophobicContact CB-CE2 3.66Å; P442-F444 HydrophobicContact CB-CZ 3.91Å; P442-P534 HydrophobicContact CB-CG 4.45Å; P442-P534 WeakPolarHBondContact O-CD 3.34Å; P442-F545 HydrophobicContact CB-CZ 3.95Å; P442-F545 HydrophobicContact CG-CE1 4Å; P442-F545 HydrophobicContact CG-CZ 3.88Å
443	Q	97.6	Very high	93.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.5	179.7	-53.8	-169.2	28.8	0	0	109.2	W439 S441 L496 L497 V531 I533 L560	W439-Q443 PolarHBondContact O-NE2 2.98Å; S441-Q443 VanDerWaalsContact O-CG 3.23Å; S441-Q443 WeakPolarHBondContact O-CG 2.93Å; S441-Q443 PolarHBondContact O-N 2.8Å; Q443-L496 HydrophobicContact CB-CD2 3.95Å; Q443-L496 HydrophobicContact CG-CD2 3.86Å; Q443-L497 PolarHBondContact NE2-O 3.44Å; Q443-L497 VanDerWaalsContact OE1-CB 3.27Å; Q443-V531 HydrophobicContact CB-CG1 3.89Å; Q443-I533 HydrophobicContact CB-CG1 4.4Å; Q443-I533 HydrophobicContact CG-CD1 3.96Å; Q443-I533 HydrophobicContact CG-CG1 3.97Å; Q443-L560 HydrophobicContact CB-CB 4.13Å; Q443-L560 HydrophobicContact CB-CD1 4.1Å; Q443-L560 WeakPolarHBondContact O-CB 3.26Å; Q443-L560 PolarHBondContact O-N 3.24Å
444	F	96.8	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.4	-177.9	-59.3	-76.9	0	0	0	109.7	F418 P442 V531 V532 P534 F545 L547 E559	F418-F444 HydrophobicContact CB-CD1 3.75Å; F418-F444 HydrophobicContact CB-CE1 3.55Å; F418-F444 HydrophobicContact CB-CG 4.32Å; F418-F444 HydrophobicContact CB-CZ 3.97Å; F418-F444 HydrophobicContact CD1-CB 4.39Å; F418-F444 AromaticContact CD1-CD1 3.22Å; F418-F444 HydrophobicContact CD1-CD1 3.22Å; F418-F444 AromaticContact CD1-CE1 3.71Å; F418-F444 HydrophobicContact CD1-CE1 3.71Å; F418-F444 HydrophobicContact CD1-CG 4.03Å; F418-F444 HydrophobicContact CD2-CB 4.16Å; F418-F444 HydrophobicContact CD2-CD1 4.04Å; F418-F444 HydrophobicContact CD2-CG 4.06Å; F418-F444 HydrophobicContact CE1-CB 4.1Å; F418-F444 AromaticContact CE1-CD1 3.63Å; F418-F444 HydrophobicContact CE1-CD1 3.63Å; F418-F444 HydrophobicContact CE1-CG 4.23Å; F418-F444 HydrophobicContact CE2-CB 3.87Å; F418-F444 HydrophobicContact CE2-CD1 4.38Å; F418-F444 HydrophobicContact CE2-CG 4.26Å; F418-F444 HydrophobicContact CG-CB 4.37Å; F418-F444 AromaticContact CG-CD1 3.41Å; F418-F444 HydrophobicContact CG-CD1 3.41Å; F418-F444 VanDerWaalsContact CG-CD1 3.41Å; F418-F444 AromaticContact CG-CE1 3.77Å; F418-F444 HydrophobicContact CG-CE1 3.77Å; F418-F444 AromaticContact CG-CG 3.89Å; F418-F444 HydrophobicContact CG-CG 3.89Å; F418-F444 HydrophobicContact CZ-CB 3.77Å; F418-F444 HydrophobicContact CZ-CD1 4.14Å; F418-F444 HydrophobicContact CZ-CG 4.29Å; P442-F444 HydrophobicContact CB-CE2 3.66Å; P442-F444 HydrophobicContact CB-CZ 3.91Å; F444-V531 CarbonylContact O-C 3.54Å; F444-V531 WeakPolarHBondContact O-CA 3.05Å; F444-V532 PolarHBondContact N-O 2.85Å; F444-V532 PolarHBondContact O-N 2.84Å; F444-P534 HydrophobicContact CD2-CG 3.92Å; F444-P534 HydrophobicContact CE2-CG 3.63Å; F444-F545 AromaticContact CE2-CE2 3.8Å; F444-F545 HydrophobicContact CE2-CE2 3.8Å; F444-F545 AromaticContact CE2-CZ 3.88Å; F444-F545 HydrophobicContact CE2-CZ 3.88Å; F444-F545 HydrophobicContact CZ-CE2 4.03Å; F444-F545 HydrophobicContact CZ-CZ 4.03Å; F444-L547 HydrophobicContact CB-CD2 4.05Å; F444-L547 HydrophobicContact CD2-CD2 3.47Å; F444-L547 VanDerWaalsContact CD2-CD2 3.47Å; F444-L547 HydrophobicContact CE2-CD2 4.18Å; F444-L547 HydrophobicContact CG-CD2 3.94Å; F444-E559 HydrophobicContact CD1-CB 4.01Å; F444-E559 HydrophobicContact CD1-CG 4.04Å; F444-E559 HydrophobicContact CE1-CB 4.03Å; F444-E559 HydrophobicContact CE1-CG 3.68Å
445	R	96.7	Very high	92.5	Very high	41 Å²	41	40.2 Å²	40.2	16%	0.155	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132	173.3	-177	175.5	175.4	-127.5	-2.9	109.8	D491 S529 Y530 E557 Q558 L560	R445-D491 PolarHBondContact NH2-O 3.07Å; R445-S529 PolarHBondContact NH2-OG 2.93Å; R445-Y530 CarbonylContact C-O 3.41Å; R445-Y530 VanDerWaalsContact CA-O 3.29Å; R445-Y530 WeakPolarHBondContact CA-O 3.38Å; R445-E557 CarbonylContact O-C 3.57Å; R445-E557 WeakPolarHBondContact O-CA 3.46Å; R445-Q558 HydrophobicContact CB-CB 4.32Å; R445-Q558 PolarHBondContact N-O 2.84Å; R445-Q558 PolarHBondContact O-N 3.04Å; R445-L560 HydrophobicContact CB-CD1 4.13Å; R445-L560 HydrophobicContact CB-CD2 3.98Å; R445-L560 HydrophobicContact CB-CG 4.03Å
446	I	95.2	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.4	169.4	59.9	172.7	0	0	0	109.2	F418 V462 I464 S529 Y530 V532 V549 I555 T556	F418-I446 HydrophobicContact CE2-CG2 4.05Å; F418-I446 HydrophobicContact CZ-CG2 4.12Å; I446-V462 HydrophobicContact CD1-CG1 4.34Å; I446-I464 HydrophobicContact CD1-CD1 4.49Å; I446-S529 CarbonylContact O-C 3.53Å; I446-S529 WeakPolarHBondContact O-CA 3.37Å; I446-Y530 PolarHBondContact N-O 3.01Å; I446-Y530 PolarHBondContact O-N 2.98Å; I446-V532 HydrophobicContact CD1-CG2 3.92Å; I446-V532 HydrophobicContact CG1-CG2 4.23Å; I446-V549 HydrophobicContact CD1-CG1 3.62Å; I446-V549 HydrophobicContact CD1-CG2 4.42Å; I446-V549 HydrophobicContact CG2-CB 4.47Å; I446-V549 HydrophobicContact CG2-CG1 4.38Å; I446-V549 HydrophobicContact CG2-CG2 4.09Å; I446-I555 HydrophobicContact CB-CG2 4.15Å; I446-I555 HydrophobicContact CG2-CG2 4.28Å; I446-T556 CarbonylContact C-O 3.45Å; I446-T556 WeakPolarHBondContact CA-O 3.43Å
447	T	95.1	Very high	91.9	Very high	24 Å²	24	40.2 Å²	40.2	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.6	172.9	-52.8	0	0	0	0	108.5	G528 S529 I555 T556	T447-G528 WeakPolarHBondContact CA-O 3.32Å; T447-S529 PolarHBondContact OG1-OG 3.16Å; T447-I555 WeakPolarHBondContact O-CA 3.43Å; T447-T556 PolarHBondContact N-O 2.93Å; T447-T556 PolarHBondContact O-N 3.45Å
448	V	93.4	Very high	91.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.7	170.9	-75.1	0	0	0	0	108.1	C460 V462 V525 P527 G528 Y530 I555	V448-C460 HydrophobicContact CB-CB 4.25Å; V448-C460 HydrophobicContact CG2-CB 4.07Å; V448-V462 HydrophobicContact CG1-CG2 3.99Å; V448-V525 HydrophobicContact CG2-CG2 4.48Å; V448-P527 CarbonylContact O-C 3.53Å; V448-P527 WeakPolarHBondContact O-CA 3.01Å; V448-G528 PolarHBondContact N-O 3.33Å; V448-G528 PolarHBondContact O-N 2.97Å; V448-Y530 HydrophobicContact CG2-CD2 4.2Å; V448-Y530 HydrophobicContact CG2-CE2 3.74Å; V448-I555 HydrophobicContact CG1-CG1 4.26Å
449	E	87.5	Confident	91.6	Very high	110 Å²	110	48.5 Å²	48.5	51%	0.514	26%	0.256	S	S	.	.			trans	-82.5	-37.6	-166.7	-61.8	-167.3	170.3	0	0	113.4	T556	E449-T556 PolarHBondContact OE1-OG1 3.3Å
450	D	91.7	Very high	91.6	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	-125.6	146.6	-171.8	-68	-58.3	0	0	0	110.9	C460 T553	D450-C460 PolarHBondContact O-SG 2.92Å; D450-T553 HydrophobicContact CB-CG2 3.88Å; D450-T553 WeakPolarHBondContact O-CB 3.48Å; D450-T553 WeakPolarHBondContact O-CG2 3.33Å; D450-T553 PolarHBondContact O-OG1 2.9Å
451	P	92.6	Very high	91.4	Very high	37 Å²	37	48.2 Å²	48.2	24%	0.24	26%	0.256	C	S	.	.			trans	-65.8	160.4	172.4	31.5	-36.4	0	0	0	110.9	P527 T553	P451-P527 HydrophobicContact CB-CG 4.11Å; P451-P527 HydrophobicContact CG-CG 4.44Å; P451-T553 VanDerWaalsContact O-CG2 3.3Å; P451-T553 WeakPolarHBondContact O-CG2 3.4Å
452	D	89.8	Confident	91.4	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.256	C	S	.	.			trans	-56.9	126.9	175.2	-77.2	6.9	0	0	0	109.6	R288 D454 D455 K459 C460 S461 R524 Q552	R288-D452 IonicContact NH2-OD2 3.72Å; D452-D454 PolarHBondContact O-N 3.09Å; D452-D455 HydrophobicContact CB-CB 4.25Å; D452-D455 WeakPolarHBondContact CB-OD2 3.31Å; D452-D455 PolarHBondContact O-N 3.44Å; D452-K459 WeakPolarHBondContact CB-O 3.39Å; D452-K459 PolarHBondContact N-O 2.92Å; D452-C460 WeakPolarHBondContact OD1-CA 3.27Å; D452-S461 PolarHBondContact OD1-N 3.14Å; D452-S461 WeakPolarHBondContact OD2-CB 3.25Å; D452-S461 PolarHBondContact OD2-N 3.24Å; D452-S461 PolarHBondContact OD2-OG 2.87Å; D452-R524 IonicContact OD2-NH1 2.7Å; D452-R524 PolarHBondContact OD2-NH1 2.87Å; D452-Q552 PolarHBondContact OD2-NE2 3.19Å
453	P	86.1	Confident	91.3	Very high	89 Å²	89	48.1 Å²	48.1	58%	0.578	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.5	-170.5	27.4	-35.7	0	0	0	113.9
454	D	81.1	Confident	91.3	Very high	127 Å²	127	48.1 Å²	48.1	68%	0.679	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	2.2	-173.9	-56.3	-47.6	0	0	0	113	D452	D452-D454 PolarHBondContact O-N 3.09Å
455	D	81.6	Confident	91.3	Very high	42 Å²	42	48.1 Å²	48.1	23%	0.225	26%	0.255	C	S	.	.			trans	-120.3	144.4	-174.8	-57.6	-28.3	0	0	0	112.2	R288 D452 R524	R288-D455 IonicContact NH2-OD2 3.77Å; D452-D455 HydrophobicContact CB-CB 4.25Å; D452-D455 WeakPolarHBondContact CB-OD2 3.31Å; D452-D455 PolarHBondContact O-N 3.44Å; D455-R524 IonicContact OD2-CZ 3.29Å; D455-R524 IonicContact OD2-NH1 2.73Å; D455-R524 PolarHBondContact OD2-NH1 3.05Å; D455-R524 IonicContact OD2-NH2 3.7Å; D455-R524 PolarHBondContact OD2-NH2 2.79Å
456	D	81.9	Confident	91.3	Very high	180 Å²	180	46.2 Å²	46.2	96%	0.963	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	2.7	-176.7	-69.4	-39.8	0	0	0	114.6
457	D	88.2	Confident	91.2	Very high	74 Å²	74	46.2 Å²	46.2	40%	0.396	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.9	-171.8	76.3	-9	0	0	0	114.6	K459 R524	D457-K459 VanDerWaalsContact C-N 3.26Å; D457-K459 PolarHBondContact O-N 2.75Å; D457-K459 WeakPolarHBondContact OD1-CB 3.46Å; D457-K459 PolarHBondContact OD1-N 2.68Å; D457-R524 IonicContact OD1-CZ 3.99Å; D457-R524 IonicContact OD1-NH2 2.8Å; D457-R524 PolarHBondContact OD1-NH2 3.34Å; D457-R524 IonicContact OD2-CZ 2.73Å; D457-R524 IonicContact OD2-NE 3.66Å; D457-R524 PolarHBondContact OD2-NE 3.2Å; D457-R524 IonicContact OD2-NH2 3.83Å; D457-R524 PolarHBondContact OD2-NH2 2.9Å
458	N	91.3	Very high	90.9	Very high	108 Å²	108	45.1 Å²	45.1	58%	0.578	24%	0.241	S	C	*	.	S	Bend	trans	55.4	37.1	-178	-165.5	66.1	0	0	0	113.5	P527	N458-P527 WeakPolarHBondContact O-CD 3.37Å
459	K	94	Very high	90.5	Very high	81 Å²	81	46 Å²	46	35%	0.352	25%	0.246	S	C	.	.			trans	-120.5	159.1	174.7	-63.6	-177	-174.4	174	0	112.1	D452 D457 R524 V525	D452-K459 WeakPolarHBondContact CB-O 3.39Å; D452-K459 PolarHBondContact N-O 2.92Å; D457-K459 VanDerWaalsContact C-N 3.26Å; D457-K459 PolarHBondContact O-N 2.75Å; D457-K459 WeakPolarHBondContact OD1-CB 3.46Å; D457-K459 PolarHBondContact OD1-N 2.68Å; K459-R524 HydrophobicContact CD-CB 4.04Å; K459-V525 CarbonylContact C-O 3.56Å; K459-V525 WeakPolarHBondContact CA-O 3.35Å; K459-V525 WeakPolarHBondContact CB-O 3.38Å
460	C	93.5	Very high	89.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.8	172.8	-46.5	0	0	0	0	109.5	V448 D450 D452 V462 R524 V525	V448-C460 HydrophobicContact CB-CB 4.25Å; V448-C460 HydrophobicContact CG2-CB 4.07Å; D450-C460 PolarHBondContact O-SG 2.92Å; D452-C460 WeakPolarHBondContact OD1-CA 3.27Å; C460-V462 HydrophobicContact CB-CG2 4.31Å; C460-R524 WeakPolarHBondContact O-CA 3.41Å; C460-V525 HydrophobicContact CB-CG2 4.48Å; C460-V525 PolarHBondContact N-O 3.42Å; C460-V525 PolarHBondContact O-N 2.99Å; C460-V525 VanDerWaalsContact O-N 3.11Å
461	S	92.2	Very high	88.1	Confident	8 Å²	8	40.7 Å²	40.7	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.2	160.3	-60.3	0	0	0	0	108.7	R288 D452 R524 S551	R288-S461 PolarHBondContact NH1-OG 3.19Å; R288-S461 PolarHBondContact NH2-OG 2.92Å; D452-S461 PolarHBondContact OD1-N 3.14Å; D452-S461 WeakPolarHBondContact OD2-CB 3.25Å; D452-S461 PolarHBondContact OD2-N 3.24Å; D452-S461 PolarHBondContact OD2-OG 2.87Å; S461-R524 PolarHBondContact OG-NH1 3.49Å; S461-S551 WeakPolarHBondContact O-CA 3.35Å; S461-S551 PolarHBondContact O-OG 2.73Å
462	V	95.6	Very high	86.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.5	173.2	-178.1	0	0	0	0	108.7	I446 V448 C460 I464 Q522 F523 V525 V549 F550	I446-V462 HydrophobicContact CD1-CG1 4.34Å; V448-V462 HydrophobicContact CG1-CG2 3.99Å; C460-V462 HydrophobicContact CB-CG2 4.31Å; V462-I464 HydrophobicContact CG1-CD1 4.41Å; V462-I464 HydrophobicContact CG1-CG1 3.99Å; V462-Q522 CarbonylContact O-C 3.49Å; V462-Q522 WeakPolarHBondContact O-CA 3.09Å; V462-F523 HydrophobicContact CB-CD2 3.92Å; V462-F523 HydrophobicContact CB-CE2 3.47Å; V462-F523 VanDerWaalsContact CB-CE2 3.47Å; V462-F523 HydrophobicContact CB-CZ 3.8Å; V462-F523 HydrophobicContact CG1-CE1 4.24Å; V462-F523 HydrophobicContact CG1-CE2 3.65Å; V462-F523 HydrophobicContact CG1-CZ 3.47Å; V462-F523 VanDerWaalsContact CG1-CZ 3.47Å; V462-F523 HydrophobicContact CG2-CE2 4.15Å; V462-F523 PolarHBondContact N-O 2.79Å; V462-F523 PolarHBondContact O-N 3.42Å; V462-V525 HydrophobicContact CG2-CG2 3.74Å; V462-V549 HydrophobicContact CG1-CG1 3.72Å; V462-F550 WeakPolarHBondContact CA-O 3.4Å
463	L	95.9	Very high	84.9	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.7	174.9	172	60.5	0	0	0	108.4	I263 H395 Q522 V549 F550	I263-L463 HydrophobicContact CB-CD2 4.46Å; I263-L463 HydrophobicContact CD1-CD2 4.41Å; I263-L463 HydrophobicContact CD1-CG 4.01Å; I263-L463 HydrophobicContact CG1-CD2 4.22Å; I263-L463 HydrophobicContact CG1-CG 4.33Å; I263-L463 HydrophobicContact CG2-CD2 3.5Å; I263-L463 HydrophobicContact CG2-CG 4.15Å; H395-L463 HydrophobicContact CB-CD2 4.15Å; H395-L463 VanDerWaalsContact CD2-CD2 3.49Å; H395-L463 WeakPolarHBondContact CD2-CD2 3.45Å; L463-Q522 HydrophobicContact CB-CG 4.46Å; L463-Q522 HydrophobicContact CD1-CB 4.09Å; L463-V549 CarbonylContact O-C 3.45Å; L463-V549 WeakPolarHBondContact O-CA 3.2Å; L463-F550 HydrophobicContact CB-CB 4.2Å; L463-F550 PolarHBondContact N-O 3.19Å; L463-F550 PolarHBondContact O-N 3.09Å
464	I	97.6	Very high	83.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.4	179.2	-60.4	-171.3	0	0	0	109.5	I446 V462 F484 V486 T520 A521 F523 V532 L547 R548 V549	I446-I464 HydrophobicContact CD1-CD1 4.49Å; V462-I464 HydrophobicContact CG1-CD1 4.41Å; V462-I464 HydrophobicContact CG1-CG1 3.99Å; I464-F484 HydrophobicContact CB-CE1 4.14Å; I464-F484 HydrophobicContact CB-CE2 3.79Å; I464-F484 HydrophobicContact CB-CZ 3.5Å; I464-F484 HydrophobicContact CD1-CE2 4.23Å; I464-F484 HydrophobicContact CG2-CD1 4.07Å; I464-F484 HydrophobicContact CG2-CD2 4.15Å; I464-F484 HydrophobicContact CG2-CE1 3.66Å; I464-F484 HydrophobicContact CG2-CE2 3.77Å; I464-F484 HydrophobicContact CG2-CG 4.3Å; I464-F484 HydrophobicContact CG2-CZ 3.49Å; I464-F484 VanDerWaalsContact CG2-CZ 3.49Å; I464-V486 HydrophobicContact CD1-CG2 4.05Å; I464-T520 CarbonylContact O-C 3.57Å; I464-T520 WeakPolarHBondContact O-CA 3.47Å; I464-A521 PolarHBondContact N-O 3.2Å; I464-A521 PolarHBondContact O-N 3.07Å; I464-F523 HydrophobicContact CB-CE1 4.4Å; I464-F523 HydrophobicContact CD1-CE1 3.62Å; I464-F523 HydrophobicContact CD1-CZ 3.46Å; I464-F523 VanDerWaalsContact CD1-CZ 3.46Å; I464-F523 HydrophobicContact CG1-CE1 3.73Å; I464-F523 HydrophobicContact CG1-CZ 3.85Å; I464-V532 HydrophobicContact CD1-CB 4.43Å; I464-V532 HydrophobicContact CD1-CG1 3.96Å; I464-V532 HydrophobicContact CD1-CG2 3.54Å; I464-V532 HydrophobicContact CG2-CG1 4.36Å; I464-L547 HydrophobicContact CG2-CD1 3.55Å; I464-L547 HydrophobicContact CG2-CG 4.46Å; I464-R548 CarbonylContact C-O 3.6Å; I464-R548 VanDerWaalsContact CA-O 3.26Å; I464-R548 WeakPolarHBondContact CA-O 3.16Å; I464-V549 HydrophobicContact CD1-CG2 4.3Å; I464-V549 HydrophobicContact CG1-CG1 4.19Å; I464-V549 HydrophobicContact CG1-CG2 4.11Å
465	G	96.2	Very high	82.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.8	171.6	0	0	0	0	0	111.4	I263 E518 V519 L547 R548	I263-G465 VanDerWaalsContact CD1-CA 3.45Å; I263-G465 VanDerWaalsContact CD1-N 3.3Å; G465-E518 WeakPolarHBondContact CA-OE1 3.34Å; G465-V519 WeakPolarHBondContact CA-O 3.32Å; G465-L547 CarbonylContact O-C 3.49Å; G465-L547 WeakPolarHBondContact O-CA 3.42Å; G465-R548 PolarHBondContact N-O 3.27Å; G465-R548 PolarHBondContact O-N 2.91Å
466	L	97	Very high	81.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.4	174.8	175.4	64.5	0	0	0	108.6	W422 I482 G483 F484 E518 V519 P534 F545 L547	W422-L466 HydrophobicContact CH2-CD1 4.06Å; W422-L466 HydrophobicContact CH2-CD2 4.06Å; W422-L466 HydrophobicContact CH2-CG 4.33Å; W422-L466 HydrophobicContact CZ2-CD1 4.35Å; W422-L466 HydrophobicContact CZ2-CD2 4.19Å; L466-I482 HydrophobicContact CB-CD1 4.46Å; L466-I482 HydrophobicContact CD2-CB 4.14Å; L466-I482 HydrophobicContact CD2-CD1 4.03Å; L466-I482 HydrophobicContact CG-CD1 3.83Å; L466-I482 VanDerWaalsContact O-CD1 3.25Å; L466-I482 WeakPolarHBondContact O-CD1 3.47Å; L466-G483 VanDerWaalsContact CD2-O 3.31Å; L466-G483 WeakPolarHBondContact CD2-O 3.46Å; L466-F484 HydrophobicContact CB-CD1 3.94Å; L466-F484 HydrophobicContact CB-CE1 4.44Å; L466-F484 HydrophobicContact CD2-CD1 4.44Å; L466-E518 VanDerWaalsContact O-CA 3.27Å; L466-E518 WeakPolarHBondContact O-CA 3.18Å; L466-V519 HydrophobicContact CB-CG1 3.97Å; L466-V519 HydrophobicContact CD2-CG1 4.43Å; L466-V519 PolarHBondContact N-O 2.63Å; L466-V519 PolarHBondContact O-N 2.79Å; L466-P534 HydrophobicContact CD1-CB 3.56Å; L466-P534 HydrophobicContact CD1-CG 4.43Å; L466-P534 HydrophobicContact CD2-CB 3.61Å; L466-P534 HydrophobicContact CG-CB 4.19Å; L466-F545 HydrophobicContact CD1-CB 4.03Å; L466-F545 HydrophobicContact CD1-CD2 3.56Å; L466-F545 HydrophobicContact CD1-CE2 4.27Å; L466-F545 HydrophobicContact CD1-CG 3.95Å; L466-L547 HydrophobicContact CB-CD1 4.19Å; L466-L547 HydrophobicContact CD1-CD1 4.22Å
467	M	92.4	Very high	80.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.4	-174.5	-177.2	-173.9	-63.2	0	0	111.6	W194 F196 E257 R517 E518 F545 I546	W194-M467 HydrophobicContact CH2-CE 4.48Å; W194-M467 HydrophobicContact CZ3-CE 4.1Å; W194-M467 HydrophobicContact CZ3-SD 4.39Å; F196-M467 HydrophobicContact CD1-CG 4.11Å; F196-M467 HydrophobicContact CD1-SD 3.38Å; F196-M467 WeakPolarHBondContact CD1-SD 3.44Å; F196-M467 HydrophobicContact CE1-CG 4.14Å; F196-M467 HydrophobicContact CE1-SD 3.61Å; E257-M467 WeakPolarHBondContact OE2-CE 3.31Å; M467-R517 CarbonylContact C-O 3.58Å; M467-R517 VanDerWaalsContact CA-O 3.31Å; M467-R517 WeakPolarHBondContact CA-O 3.48Å; M467-R517 HydrophobicContact CG-CG 4.06Å; M467-R517 WeakPolarHBondContact CG-O 3.28Å; M467-E518 HydrophobicContact CB-CB 3.87Å; M467-E518 HydrophobicContact CB-CG 3.9Å; M467-E518 HydrophobicContact CE-CB 4.12Å; M467-E518 HydrophobicContact CE-CG 4.38Å; M467-E518 WeakPolarHBondContact CE-OE2 3.49Å; M467-E518 HydrophobicContact CG-CB 4.05Å; M467-F545 CarbonylContact O-C 3.46Å; M467-F545 WeakPolarHBondContact O-CA 3.45Å; M467-F545 WeakPolarHBondContact O-CB 3.45Å; M467-I546 HydrophobicContact CB-CD1 4.27Å; M467-I546 HydrophobicContact CB-CG1 3.73Å; M467-I546 HydrophobicContact CG-CG1 4.47Å; M467-I546 PolarHBondContact N-O 2.92Å; M467-I546 PolarHBondContact O-N 3.1Å; M467-I546 HydrophobicContact SD-CD1 4.22Å
468	Q	90.2	Very high	79.5	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.1	173.2	-54.9	179.6	69.4	0	0	110.5	F196 I471 Q480 I482 T516 R517 V543	F196-Q468 WeakPolarHBondContact CE1-O 3.26Å; Q468-I471 HydrophobicContact CB-CD1 3.49Å; Q468-I471 VanDerWaalsContact CB-CD1 3.49Å; Q468-I471 HydrophobicContact CB-CG1 4.1Å; Q468-I471 HydrophobicContact CG-CD1 4.08Å; Q468-Q480 PolarHBondContact NE2-O 2.9Å; Q468-I482 HydrophobicContact CG-CD1 3.53Å; Q468-I482 HydrophobicContact CG-CG1 4.17Å; Q468-I482 HydrophobicContact CG-CG2 3.98Å; Q468-T516 PolarHBondContact NE2-O 2.91Å; Q468-R517 PolarHBondContact N-O 3.14Å; Q468-V543 HydrophobicContact CB-CG1 3.95Å; Q468-V543 HydrophobicContact CG-CG1 4.01Å
469	T	83.5	Confident	79.2	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.11	23%	0.234	C	C	.	.			trans	-98.9	147.1	-174.9	65.7	0	0	0	0	111.9	F196 I471 N544 I546	F196-T469 HydrophobicContact CB-CG2 3.76Å; F196-T469 HydrophobicContact CD1-CG2 3.67Å; F196-T469 HydrophobicContact CE1-CG2 4.47Å; F196-T469 HydrophobicContact CG-CG2 3.83Å; T469-I471 PolarHBondContact O-N 2.96Å; T469-N544 PolarHBondContact N-O 3.38Å; T469-N544 WeakPolarHBondContact OG1-CB 3.4Å; T469-N544 PolarHBondContact OG1-O 2.99Å; T469-I546 HydrophobicContact CG2-CG2 4.04Å
470	D	71	Confident	79	Confident	67 Å²	67	43.7 Å²	43.7	36%	0.358	23%	0.231	S	C	.	.	S	Bend	trans	57.9	5.6	174.7	-67	-36.7	0	0	0	118	K473 K474	D470-K473 PolarHBondContact O-N 3.11Å; D470-K474 WeakPolarHBondContact O-CG 3.48Å; D470-K474 PolarHBondContact O-N 2.91Å
471	I	57.7	Low	79.1	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-50.7	-180	-62.2	-169.1	0	0	0	111.6	Q468 T469 K473 K474 V475 F479 V543	Q468-I471 HydrophobicContact CB-CD1 3.49Å; Q468-I471 VanDerWaalsContact CB-CD1 3.49Å; Q468-I471 HydrophobicContact CB-CG1 4.1Å; Q468-I471 HydrophobicContact CG-CD1 4.08Å; T469-I471 PolarHBondContact O-N 2.96Å; I471-K473 PolarHBondContact O-N 3.44Å; I471-K473 VanDerWaalsContact O-N 3.09Å; I471-K474 PolarHBondContact O-N 3.19Å; I471-V475 HydrophobicContact CG2-CG2 3.59Å; I471-V475 PolarHBondContact O-N 2.77Å; I471-F479 HydrophobicContact CB-CD1 3.86Å; I471-F479 HydrophobicContact CB-CE1 3.89Å; I471-F479 HydrophobicContact CD1-CD1 4.07Å; I471-F479 HydrophobicContact CG1-CD1 4.48Å; I471-F479 HydrophobicContact CG2-CD1 3.74Å; I471-F479 HydrophobicContact CG2-CE1 4.02Å; I471-F479 HydrophobicContact CG2-CG 4.45Å; I471-V543 HydrophobicContact CD1-CG1 3.91Å; I471-V543 HydrophobicContact CD1-CG2 4.31Å
472	R	59.2	Low	79.3	Confident	83 Å²	83	45.5 Å²	45.5	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-56.7	-32.1	-179.1	-164.8	167	179.6	172.3	-6.3	112.8	E254 G476 F479	E254-R472 IonicContact OE1-NH1 3.9Å; E254-R472 PolarHBondContact OE1-NH1 3Å; E254-R472 IonicContact OE2-NH1 2.99Å; E254-R472 PolarHBondContact OE2-NH1 2.77Å; R472-G476 VanDerWaalsContact CA-O 3.28Å; R472-G476 WeakPolarHBondContact CA-O 3.5Å; R472-G476 WeakPolarHBondContact O-CA 3.42Å; R472-G476 PolarHBondContact O-N 2.92Å; R472-F479 HydrophobicContact CB-CZ 4.36Å
473	K	56.9	Low	79.4	Confident	182 Å²	182	45.5 Å²	45.5	79%	0.791	24%	0.242	S	C	*	.	H	α-helix	trans	-74.6	-32.2	175.7	-172.8	177.2	178.5	179.8	0	113.1	D470 I471	D470-K473 PolarHBondContact O-N 3.11Å; I471-K473 PolarHBondContact O-N 3.44Å; I471-K473 VanDerWaalsContact O-N 3.09Å
474	K	56.7	Low	79.5	Confident	149 Å²	149	45.3 Å²	45.3	65%	0.648	24%	0.241	S	C	*	.	H	α-helix	trans	-87.6	-43.7	-176.9	-71.3	175.2	-178	176.6	0	113.3	D470 I471	D470-K474 WeakPolarHBondContact O-CG 3.48Å; D470-K474 PolarHBondContact O-N 2.91Å; I471-K474 PolarHBondContact O-N 3.19Å
475	V	54.4	Low	79.5	Confident	97 Å²	97	46 Å²	46	59%	0.588	25%	0.245	S	C	*	.	H	α-helix	trans	-139.2	4.4	-169.8	-64.7	0	0	0	0	114.4	I471	I471-V475 HydrophobicContact CG2-CG2 3.59Å; I471-V475 PolarHBondContact O-N 2.77Å
476	G	57.1	Low	79.6	Confident	28 Å²	28	46 Å²	46	29%	0.289	25%	0.245	S	C	.	.	S	Bend	trans	80.4	-152	-175.7	0	0	0	0	0	113.1	R472 D478	R472-G476 VanDerWaalsContact CA-O 3.28Å; R472-G476 WeakPolarHBondContact CA-O 3.5Å; R472-G476 WeakPolarHBondContact O-CA 3.42Å; R472-G476 PolarHBondContact O-N 2.92Å; G476-D478 PolarHBondContact O-N 2.74Å; G476-D478 VanDerWaalsContact O-N 3.09Å
477	A	63.4	Low	79.7	Confident	78 Å²	78	46 Å²	46	65%	0.645	25%	0.245	S	C	*	.	S	Bend	trans	-78.5	19.9	-174.4	0	0	0	0	0	114.8	F479	A477-F479 HydrophobicContact CB-CE2 4.16Å; A477-F479 WeakPolarHBondContact O-CD2 3.46Å; A477-F479 PolarHBondContact O-N 2.94Å
478	D	74.6	Confident	79.9	Confident	109 Å²	109	50 Å²	50	58%	0.583	27%	0.266	S	S	*	.			trans	-88.2	72.6	178.4	-166.6	27.7	0	0	0	110.7	G476	G476-D478 PolarHBondContact O-N 2.74Å; G476-D478 VanDerWaalsContact O-N 3.09Å
479	F	84	Confident	80.1	Confident	19 Å²	19	50.6 Å²	50.6	8%	0.083	27%	0.271	C	S	.	.			trans	-79.4	150.4	-178.2	-61.8	-77.7	0	0	0	112	I471 R472 A477 N515 R517	I471-F479 HydrophobicContact CB-CD1 3.86Å; I471-F479 HydrophobicContact CB-CE1 3.89Å; I471-F479 HydrophobicContact CD1-CD1 4.07Å; I471-F479 HydrophobicContact CG1-CD1 4.48Å; I471-F479 HydrophobicContact CG2-CD1 3.74Å; I471-F479 HydrophobicContact CG2-CE1 4.02Å; I471-F479 HydrophobicContact CG2-CG 4.45Å; R472-F479 HydrophobicContact CB-CZ 4.36Å; A477-F479 HydrophobicContact CB-CE2 4.16Å; A477-F479 WeakPolarHBondContact O-CD2 3.46Å; A477-F479 PolarHBondContact O-N 2.94Å; F479-N515 WeakPolarHBondContact O-CB 3.28Å; F479-R517 HydrophobicContact CD1-CB 4.35Å; F479-R517 HydrophobicContact CE1-CB 3.76Å; F479-R517 HydrophobicContact CE1-CG 4.18Å; F479-R517 HydrophobicContact CE2-CB 4.12Å; F479-R517 HydrophobicContact CZ-CB 3.63Å; F479-R517 HydrophobicContact CZ-CG 4.28Å
480	Q	90.3	Very high	80.5	Confident	60 Å²	60	51.5 Å²	51.5	28%	0.28	28%	0.277	S	S	.	.			trans	-78	148.5	174.9	-62.1	-62	-45.8	0	0	110.9	Q468 I482 I541 V543	Q468-Q480 PolarHBondContact NE2-O 2.9Å; Q480-I482 PolarHBondContact O-N 3Å; Q480-I482 VanDerWaalsContact O-N 3.12Å; Q480-I541 HydrophobicContact CB-CG2 4.32Å; Q480-I541 HydrophobicContact CG-CG2 3.76Å; Q480-V543 HydrophobicContact CB-CG2 4.45Å; Q480-V543 HydrophobicContact CG-CG2 3.83Å
481	P	94.8	Very high	81.3	Confident	45 Å²	45	53.4 Å²	53.4	29%	0.292	29%	0.287	S	S	.	.			trans	-65.2	111.7	171	-18.9	31.9	0	0	0	110.6	I514 N515 T536 F537	P481-I514 WeakPolarHBondContact CA-O 3.43Å; P481-N515 HydrophobicContact CG-CB 4.39Å; P481-T536 CarbonylContact O-C 3.55Å; P481-F537 HydrophobicContact CB-CB 3.86Å; P481-F537 PolarHBondContact O-N 2.85Å
482	I	96.7	Very high	82.8	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.4	-178.9	56.1	156.2	0	0	0	111.5	W422 L466 Q468 Q480 F513 I514 V519 T536	W422-I482 HydrophobicContact CH2-CB 4.43Å; W422-I482 HydrophobicContact CH2-CG2 3.86Å; W422-I482 HydrophobicContact CZ3-CG2 4.03Å; L466-I482 HydrophobicContact CB-CD1 4.46Å; L466-I482 HydrophobicContact CD2-CB 4.14Å; L466-I482 HydrophobicContact CD2-CD1 4.03Å; L466-I482 HydrophobicContact CG-CD1 3.83Å; L466-I482 VanDerWaalsContact O-CD1 3.25Å; L466-I482 WeakPolarHBondContact O-CD1 3.47Å; Q468-I482 HydrophobicContact CG-CD1 3.53Å; Q468-I482 HydrophobicContact CG-CG1 4.17Å; Q468-I482 HydrophobicContact CG-CG2 3.98Å; Q480-I482 PolarHBondContact O-N 3Å; Q480-I482 VanDerWaalsContact O-N 3.12Å; I482-F513 VanDerWaalsContact O-CA 3.32Å; I482-F513 WeakPolarHBondContact O-CA 3.34Å; I482-I514 PolarHBondContact N-O 2.94Å; I482-I514 VanDerWaalsContact N-O 3.08Å; I482-I514 PolarHBondContact O-N 2.9Å; I482-V519 HydrophobicContact CD1-CG1 4.08Å; I482-V519 HydrophobicContact CG1-CG1 4.21Å; I482-T536 HydrophobicContact CG2-CG2 4.16Å
483	G	97.7	Very high	84.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	179.6	175.1	0	0	0	0	0	112	L466 S511 P534 S535	L466-G483 VanDerWaalsContact CD2-O 3.31Å; L466-G483 WeakPolarHBondContact CD2-O 3.46Å; G483-S511 WeakPolarHBondContact CA-OG 3.14Å; G483-P534 WeakPolarHBondContact O-CA 3.49Å; G483-S535 PolarHBondContact N-O 2.97Å; G483-S535 PolarHBondContact O-N 3.23Å; G483-S535 VanDerWaalsContact O-O 3.06Å
484	F	98.4	Very high	86.1	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.7	177.4	59.9	-97.4	0	0	0	112.3	I464 L466 V486 K510 S511 V519 A521 V532 I533 P534	I464-F484 HydrophobicContact CB-CE1 4.14Å; I464-F484 HydrophobicContact CB-CE2 3.79Å; I464-F484 HydrophobicContact CB-CZ 3.5Å; I464-F484 HydrophobicContact CD1-CE2 4.23Å; I464-F484 HydrophobicContact CG2-CD1 4.07Å; I464-F484 HydrophobicContact CG2-CD2 4.15Å; I464-F484 HydrophobicContact CG2-CE1 3.66Å; I464-F484 HydrophobicContact CG2-CE2 3.77Å; I464-F484 HydrophobicContact CG2-CG 4.3Å; I464-F484 HydrophobicContact CG2-CZ 3.49Å; I464-F484 VanDerWaalsContact CG2-CZ 3.49Å; L466-F484 HydrophobicContact CB-CD1 3.94Å; L466-F484 HydrophobicContact CB-CE1 4.44Å; L466-F484 HydrophobicContact CD2-CD1 4.44Å; F484-V486 HydrophobicContact CD2-CG2 4.05Å; F484-V486 HydrophobicContact CE2-CG2 4.19Å; F484-K510 VanDerWaalsContact O-CA 3.31Å; F484-K510 WeakPolarHBondContact O-CA 3.43Å; F484-S511 PolarHBondContact N-OG 2.96Å; F484-S511 PolarHBondContact O-N 2.81Å; F484-V519 HydrophobicContact CD1-CG1 4.41Å; F484-V519 HydrophobicContact CE1-CG1 4.44Å; F484-A521 HydrophobicContact CE2-CB 4.21Å; F484-A521 HydrophobicContact CZ-CB 3.67Å; F484-V532 HydrophobicContact CB-CG1 4.21Å; F484-V532 HydrophobicContact CD2-CG1 4.23Å; F484-V532 HydrophobicContact CG-CG1 4.4Å; F484-I533 VanDerWaalsContact CA-O 3.27Å; F484-I533 WeakPolarHBondContact CA-O 3.39Å; F484-P534 HydrophobicContact CB-CB 4.37Å
485	M	98.1	Very high	87.8	Confident	15 Å²	15	45.8 Å²	45.8	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.6	172.3	-61.9	-72.2	-179.1	0	0	109.7	I432 Y438 Y487 P507 K510 F513 V532 I533	I432-M485 HydrophobicContact CG2-CE 3.8Å; Y438-M485 VanDerWaalsContact OH-CB 3.23Å; Y438-M485 WeakPolarHBondContact OH-CB 3.43Å; Y438-M485 VanDerWaalsContact OH-CG 3.31Å; Y438-M485 WeakPolarHBondContact OH-CG 3.32Å; M485-Y487 HydrophobicContact CB-CD2 4.42Å; M485-Y487 HydrophobicContact CB-CE2 3.53Å; M485-P507 HydrophobicContact CB-CB 4.45Å; M485-P507 HydrophobicContact SD-CB 4.23Å; M485-P507 HydrophobicContact SD-CG 4.24Å; M485-K510 HydrophobicContact CE-CB 4.43Å; M485-K510 HydrophobicContact CE-CD 4.34Å; M485-K510 HydrophobicContact SD-CB 3.42Å; M485-K510 WeakPolarHBondContact SD-CB 3.35Å; M485-K510 HydrophobicContact SD-CD 4.12Å; M485-K510 HydrophobicContact SD-CG 4.41Å; M485-F513 HydrophobicContact CE-CE2 4.13Å; M485-V532 WeakPolarHBondContact O-CA 3.42Å; M485-I533 PolarHBondContact N-O 3.47Å; M485-I533 PolarHBondContact O-N 3.23Å
486	V	98.3	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.5	177.9	-170.7	0	0	0	0	109.4	I464 F484 P507 I508 A509 F523 Y530 V531	I464-V486 HydrophobicContact CD1-CG2 4.05Å; F484-V486 HydrophobicContact CD2-CG2 4.05Å; F484-V486 HydrophobicContact CE2-CG2 4.19Å; V486-P507 CarbonylContact O-C 3.48Å; V486-P507 VanDerWaalsContact O-CA 3.26Å; V486-P507 WeakPolarHBondContact O-CA 3.49Å; V486-I508 HydrophobicContact CB-CG1 4.12Å; V486-I508 HydrophobicContact CG1-CD1 4.02Å; V486-I508 HydrophobicContact CG1-CG1 3.94Å; V486-I508 WeakPolarHBondContact O-CG1 3.46Å; V486-I508 PolarHBondContact O-N 2.89Å; V486-A509 HydrophobicContact CB-CB 4.07Å; V486-A509 HydrophobicContact CG2-CB 4.16Å; V486-A509 PolarHBondContact N-O 3.34Å; V486-F523 HydrophobicContact CG1-CE2 4.45Å; V486-F523 HydrophobicContact CG1-CZ 4.24Å; V486-F523 HydrophobicContact CG2-CE1 4.01Å; V486-F523 HydrophobicContact CG2-CZ 3.93Å; V486-Y530 HydrophobicContact CG1-CD1 4.45Å; V486-Y530 HydrophobicContact CG1-CG 4.47Å; V486-V531 CarbonylContact C-O 3.51Å; V486-V531 WeakPolarHBondContact CA-O 3.49Å
487	Y	98	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	153.1	179.5	-59.5	-92.2	0	0	0	111.1	I432 Y438 M485 A489 L502 R505 P507 Y530 V531 I533	I432-Y487 VanDerWaalsContact CD1-OH 3.31Å; I432-Y487 WeakPolarHBondContact CD1-OH 3.47Å; Y438-Y487 WeakPolarHBondContact CE1-OH 3.27Å; Y438-Y487 WeakPolarHBondContact OH-CE2 3.35Å; Y438-Y487 PolarHBondContact OH-OH 3.17Å; M485-Y487 HydrophobicContact CB-CD2 4.42Å; M485-Y487 HydrophobicContact CB-CE2 3.53Å; Y487-A489 PolarHBondContact O-N 2.87Å; Y487-L502 HydrophobicContact CD1-CD2 4.45Å; Y487-L502 HydrophobicContact CD2-CD2 4.19Å; Y487-L502 HydrophobicContact CE1-CD2 4.22Å; Y487-L502 HydrophobicContact CE2-CD2 3.96Å; Y487-L502 HydrophobicContact CG-CD2 4.43Å; Y487-R505 HydrophobicContact CD1-CB 3.95Å; Y487-R505 HydrophobicContact CE1-CB 4.27Å; Y487-P507 HydrophobicContact CD1-CB 4.27Å; Y487-P507 HydrophobicContact CE1-CB 3.85Å; Y487-P507 HydrophobicContact CE1-CG 4.45Å; Y487-Y530 CarbonylContact O-C 3.52Å; Y487-Y530 WeakPolarHBondContact O-CA 3.5Å; Y487-V531 PolarHBondContact N-O 3.12Å; Y487-V531 PolarHBondContact O-N 3.08Å; Y487-I533 HydrophobicContact CD2-CD1 4.11Å; Y487-I533 HydrophobicContact CD2-CG1 4.34Å; Y487-I533 HydrophobicContact CE2-CD1 3.87Å; Y487-I533 HydrophobicContact CE2-CG1 4.26Å
488	N	96.9	Very high	92.8	Very high	85 Å²	85	38.5 Å²	38.5	46%	0.455	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	127	164.8	-70.4	-49.2	0	0	0	110.2	R505 I508 Y530	N488-R505 PolarHBondContact O-NE 2.79Å; N488-R505 PolarHBondContact O-NH2 2.85Å; N488-I508 WeakPolarHBondContact ND2-CG2 3.29Å; N488-Y530 VanDerWaalsContact OD1-CE1 3.22Å; N488-Y530 WeakPolarHBondContact OD1-CE1 3.06Å
489	A	95.1	Very high	93.6	Very high	12 Å²	12	36.9 Å²	36.9	10%	0.099	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-94.9	136.1	175.5	0	0	0	0	0	110.5	Y487 L493 S529 V531	Y487-A489 PolarHBondContact O-N 2.87Å; A489-L493 HydrophobicContact CB-CD2 4.17Å; A489-S529 PolarHBondContact N-O 2.82Å; A489-V531 HydrophobicContact CB-CG2 3.66Å
490	P	92	Very high	93.9	Very high	38 Å²	38	39.1 Å²	39.1	25%	0.247	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-56.6	146.5	162.2	-20.9	32.8	0	0	0	111.5	D492 L493	P490-D492 VanDerWaalsContact CB-OD1 3.31Å; P490-D492 WeakPolarHBondContact CB-OD1 3.43Å; P490-D492 PolarHBondContact O-N 2.97Å; P490-L493 HydrophobicContact CB-CB 4.27Å; P490-L493 HydrophobicContact CG-CB 4.45Å; P490-L493 WeakPolarHBondContact O-CB 3.42Å; P490-L493 PolarHBondContact O-N 2.99Å
491	D	86.8	Confident	94.1	Very high	106 Å²	106	39.4 Å²	39.4	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.7	-178.6	-72.3	-21.9	0	0	0	113.4	R445	R445-D491 PolarHBondContact NH2-O 3.07Å
492	D	90.2	Very high	94.1	Very high	131 Å²	131	37.5 Å²	37.5	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	2.8	-177.9	61.3	-31.5	0	0	0	113.6	P490 N494	P490-D492 VanDerWaalsContact CB-OD1 3.31Å; P490-D492 WeakPolarHBondContact CB-OD1 3.43Å; P490-D492 PolarHBondContact O-N 2.97Å; D492-N494 PolarHBondContact O-N 2.7Å
493	L	93	Very high	94	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	23%	0.233	C	C	.	.			trans	-65.8	118.2	-179.8	-173.5	73.8	0	0	0	111.3	A489 P490 T495 L497 V531 L560	A489-L493 HydrophobicContact CB-CD2 4.17Å; P490-L493 HydrophobicContact CB-CB 4.27Å; P490-L493 HydrophobicContact CG-CB 4.45Å; P490-L493 WeakPolarHBondContact O-CB 3.42Å; P490-L493 PolarHBondContact O-N 2.99Å; L493-T495 WeakPolarHBondContact CD1-O 3.31Å; L493-L497 HydrophobicContact CD1-CD2 3.93Å; L493-L497 HydrophobicContact CD2-CD2 3.82Å; L493-L497 HydrophobicContact CD2-CG 4.03Å; L493-V531 HydrophobicContact CD2-CG2 3.5Å; L493-V531 VanDerWaalsContact CD2-CG2 3.5Å; L493-L560 HydrophobicContact CD2-CD1 3.75Å; L493-L560 HydrophobicContact CG-CD1 4.36Å
494	N	91	Very high	93.8	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	27%	0.267	S	S	.	.			trans	-123	-14	176.7	64.6	-32.6	0	0	0	114	D492	D492-N494 PolarHBondContact O-N 2.7Å
495	T	92.5	Very high	93.6	Very high	35 Å²	35	51.3 Å²	51.3	22%	0.215	28%	0.281	C	S	.	.	S	Bend	trans	-117.1	-177.3	177.7	63.6	0	0	0	0	111.7	L493 D561	L493-T495 WeakPolarHBondContact CD1-O 3.31Å; T495-D561 WeakPolarHBondContact CA-O 3.34Å
496	L	93.3	Very high	93.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61.1	142	177.4	-60.2	-178.6	0	0	0	111.6	Q443 S498 L560 E562	Q443-L496 HydrophobicContact CB-CD2 3.95Å; Q443-L496 HydrophobicContact CG-CD2 3.86Å; L496-S498 PolarHBondContact O-N 2.81Å; L496-L560 HydrophobicContact CD2-CB 4.08Å; L496-L560 VanDerWaalsContact CD2-O 3.24Å; L496-L560 WeakPolarHBondContact CD2-O 3.43Å; L496-E562 HydrophobicContact CD1-CG 3.92Å; L496-E562 HydrophobicContact CG-CG 4.25Å
497	L	94.7	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64	124.3	161.8	-67.5	173.4	0	0	0	108.6	Q443 L493 L502 V531	Q443-L497 PolarHBondContact NE2-O 3.44Å; Q443-L497 VanDerWaalsContact OE1-CB 3.27Å; L493-L497 HydrophobicContact CD1-CD2 3.93Å; L493-L497 HydrophobicContact CD2-CD2 3.82Å; L493-L497 HydrophobicContact CD2-CG 4.03Å; L497-L502 HydrophobicContact CB-CD1 4.29Å; L497-L502 HydrophobicContact CB-CD2 3.96Å; L497-L502 HydrophobicContact CB-CG 3.89Å; L497-L502 HydrophobicContact CD1-CD2 3.81Å; L497-V531 HydrophobicContact CD1-CB 3.94Å; L497-V531 HydrophobicContact CD1-CG1 4.14Å; L497-V531 HydrophobicContact CD1-CG2 3.79Å; L497-V531 HydrophobicContact CG-CG2 4.23Å
498	S	91.6	Very high	93.4	Very high	46 Å²	46	61.1 Å²	61.1	32%	0.322	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.8	162.5	-177.3	77.5	0	0	0	0	111.9	L496 A500 Q501 L502	L496-S498 PolarHBondContact O-N 2.81Å; S498-A500 VanDerWaalsContact C-N 3.29Å; S498-A500 PolarHBondContact O-N 3.12Å; S498-Q501 PolarHBondContact O-N 2.96Å; S498-Q501 VanDerWaalsContact O-N 3.1Å; S498-Q501 WeakPolarHBondContact OG-CG 3.49Å; S498-Q501 PolarHBondContact OG-N 2.68Å; S498-L502 PolarHBondContact O-N 3.38Å
499	R	91.7	Very high	93.4	Very high	75 Å²	75	58 Å²	58	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-50.2	-49.1	173.6	-173.2	177.7	174.1	-165.7	-5.2	112.3	R435 W439 Q501 L502 L503 E685	R435-R499 PolarHBondContact O-NE 3.39Å; R435-R499 VanDerWaalsContact O-NE 3.07Å; W439-R499 HydrophobicContact CB-CB 4.21Å; W439-R499 HydrophobicContact CD2-CB 4.27Å; W439-R499 HydrophobicContact CG-CB 3.75Å; W439-R499 HydrophobicContact CG-CG 4.34Å; R499-Q501 VanDerWaalsContact C-N 3.33Å; R499-Q501 PolarHBondContact O-N 3.33Å; R499-L502 PolarHBondContact O-N 2.77Å; R499-L503 HydrophobicContact CG-CD1 3.96Å; R499-L503 HydrophobicContact CG-CG 4.45Å; R499-L503 WeakPolarHBondContact O-CB 3.32Å; R499-L503 VanDerWaalsContact O-CG 3.27Å; R499-L503 WeakPolarHBondContact O-CG 3.31Å; R499-L503 PolarHBondContact O-N 3.14Å; R499-E685 VanDerWaalsContact CD-OE1 3.24Å; R499-E685 WeakPolarHBondContact CD-OE1 3.49Å; R499-E685 IonicContact CZ-OE1 3.76Å; R499-E685 IonicContact NE-OE1 2.85Å; R499-E685 VanDerWaalsContact NH1-CD 3.31Å; R499-E685 IonicContact NH1-OE1 2.66Å; R499-E685 PolarHBondContact NH1-OE1 2.84Å; R499-E685 IonicContact NH1-OE2 2.9Å; R499-E685 PolarHBondContact NH1-OE2 2.76Å
500	A	91.7	Very high	93.4	Very high	65 Å²	65	64.1 Å²	64.1	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-39.4	-179.8	0	0	0	0	0	112.4	S498 T504	S498-A500 VanDerWaalsContact C-N 3.29Å; S498-A500 PolarHBondContact O-N 3.12Å; A500-T504 WeakPolarHBondContact O-CG2 3.4Å; A500-T504 PolarHBondContact O-N 3.41Å; A500-T504 PolarHBondContact O-OG1 3.22Å
501	Q	94.1	Very high	93.7	Very high	66 Å²	66	62.6 Å²	62.6	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-43.1	176.5	-70.8	173.7	-33	0	0	111.7	S498 R499 T504 R505	S498-Q501 PolarHBondContact O-N 2.96Å; S498-Q501 VanDerWaalsContact O-N 3.1Å; S498-Q501 WeakPolarHBondContact OG-CG 3.49Å; S498-Q501 PolarHBondContact OG-N 2.68Å; R499-Q501 VanDerWaalsContact C-N 3.33Å; R499-Q501 PolarHBondContact O-N 3.33Å; Q501-T504 PolarHBondContact O-N 2.84Å; Q501-T504 PolarHBondContact O-OG1 2.9Å; Q501-T504 VanDerWaalsContact O-OG1 3.08Å; Q501-R505 VanDerWaalsContact O-CB 3.3Å; Q501-R505 WeakPolarHBondContact O-CB 3.27Å; Q501-R505 WeakPolarHBondContact O-CD 3.1Å; Q501-R505 WeakPolarHBondContact O-CG 3.36Å; Q501-R505 PolarHBondContact O-N 3.08Å
502	L	95.4	Very high	94	Very high	5 Å²	5	64 Å²	64	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-70.8	-32.6	-180	-71.9	173.7	0	0	0	113.1	Y438 W439 Y487 L497 S498 R499 T504 I533	Y438-L502 HydrophobicContact CD1-CD1 4.13Å; Y438-L502 HydrophobicContact CE1-CB 4.49Å; Y438-L502 HydrophobicContact CE1-CD1 4.04Å; Y438-L502 HydrophobicContact CE1-CD2 4.42Å; W439-L502 HydrophobicContact CB-CD1 3.69Å; Y487-L502 HydrophobicContact CD1-CD2 4.45Å; Y487-L502 HydrophobicContact CD2-CD2 4.19Å; Y487-L502 HydrophobicContact CE1-CD2 4.22Å; Y487-L502 HydrophobicContact CE2-CD2 3.96Å; Y487-L502 HydrophobicContact CG-CD2 4.43Å; L497-L502 HydrophobicContact CB-CD1 4.29Å; L497-L502 HydrophobicContact CB-CD2 3.96Å; L497-L502 HydrophobicContact CB-CG 3.89Å; L497-L502 HydrophobicContact CD1-CD2 3.81Å; S498-L502 PolarHBondContact O-N 3.38Å; R499-L502 PolarHBondContact O-N 2.77Å; L502-T504 VanDerWaalsContact C-N 3.28Å; L502-T504 PolarHBondContact O-N 2.7Å; L502-I533 HydrophobicContact CD1-CD1 3.84Å; L502-I533 HydrophobicContact CD2-CD1 3.65Å; L502-I533 HydrophobicContact CG-CD1 4.42Å
503	L	93.2	Very high	94.3	Very high	91 Å²	91	60.1 Å²	60.1	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-70.8	-23	175.7	-70.5	175.2	0	0	0	113.4	R435 R499	R435-L503 HydrophobicContact CB-CD2 3.98Å; R435-L503 HydrophobicContact CG-CD2 3.98Å; R499-L503 HydrophobicContact CG-CD1 3.96Å; R499-L503 HydrophobicContact CG-CG 4.45Å; R499-L503 WeakPolarHBondContact O-CB 3.32Å; R499-L503 VanDerWaalsContact O-CG 3.27Å; R499-L503 WeakPolarHBondContact O-CG 3.31Å; R499-L503 PolarHBondContact O-N 3.14Å
504	T	94.2	Very high	94.2	Very high	117 Å²	117	62 Å²	62	72%	0.718	34%	0.335	S	S	*	.	H	α-helix	trans	-99.4	-18.2	-179.6	52.9	0	0	0	0	113.2	A500 Q501 L502	A500-T504 WeakPolarHBondContact O-CG2 3.4Å; A500-T504 PolarHBondContact O-N 3.41Å; A500-T504 PolarHBondContact O-OG1 3.22Å; Q501-T504 PolarHBondContact O-N 2.84Å; Q501-T504 PolarHBondContact O-OG1 2.9Å; Q501-T504 VanDerWaalsContact O-OG1 3.08Å; L502-T504 VanDerWaalsContact C-N 3.28Å; L502-T504 PolarHBondContact O-N 2.7Å
505	R	95	Very high	94.1	Very high	83 Å²	83	62.8 Å²	62.8	31%	0.313	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-87.1	140.6	178.7	-77.6	173.6	134.9	73.8	1.3	112	Y487 N488 Q501	Y487-R505 HydrophobicContact CD1-CB 3.95Å; Y487-R505 HydrophobicContact CE1-CB 4.27Å; N488-R505 PolarHBondContact O-NE 2.79Å; N488-R505 PolarHBondContact O-NH2 2.85Å; Q501-R505 VanDerWaalsContact O-CB 3.3Å; Q501-R505 WeakPolarHBondContact O-CB 3.27Å; Q501-R505 WeakPolarHBondContact O-CD 3.1Å; Q501-R505 WeakPolarHBondContact O-CG 3.36Å; Q501-R505 PolarHBondContact O-N 3.08Å
506	S	95.3	Very high	93.9	Very high	103 Å²	103	63.4 Å²	63.4	72%	0.72	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-91.5	134.3	165.6	-64	0	0	0	0	110
507	P	96.8	Very high	93.5	Very high	52 Å²	52	64 Å²	64	34%	0.338	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.1	172	27.8	-33	0	0	0	110	M485 V486 Y487	M485-P507 HydrophobicContact CB-CB 4.45Å; M485-P507 HydrophobicContact SD-CB 4.23Å; M485-P507 HydrophobicContact SD-CG 4.24Å; V486-P507 CarbonylContact O-C 3.48Å; V486-P507 VanDerWaalsContact O-CA 3.26Å; V486-P507 WeakPolarHBondContact O-CA 3.49Å; Y487-P507 HydrophobicContact CD1-CB 4.27Å; Y487-P507 HydrophobicContact CE1-CB 3.85Å; Y487-P507 HydrophobicContact CE1-CG 4.45Å
508	I	96.8	Very high	93.3	Very high	67 Å²	67	65 Å²	65	34%	0.344	35%	0.35	S	S	.	.	S	Bend	trans	-85.3	-25.2	176.3	63.7	169.7	0	0	0	112.2	V486 N488 V525 Y530	V486-I508 HydrophobicContact CB-CG1 4.12Å; V486-I508 HydrophobicContact CG1-CD1 4.02Å; V486-I508 HydrophobicContact CG1-CG1 3.94Å; V486-I508 WeakPolarHBondContact O-CG1 3.46Å; V486-I508 PolarHBondContact O-N 2.89Å; N488-I508 WeakPolarHBondContact ND2-CG2 3.29Å; I508-V525 HydrophobicContact CD1-CG1 3.81Å; I508-Y530 HydrophobicContact CD1-CD1 3.23Å; I508-Y530 HydrophobicContact CD1-CE1 3.22Å; I508-Y530 HydrophobicContact CD1-CG 4.35Å
509	A	96.5	Very high	93.4	Very high	20 Å²	20	63.1 Å²	63.1	17%	0.165	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.8	177	0	0	0	0	0	109.4	V486 F523	V486-A509 HydrophobicContact CB-CB 4.07Å; V486-A509 HydrophobicContact CG2-CB 4.16Å; V486-A509 PolarHBondContact N-O 3.34Å; A509-F523 HydrophobicContact CB-CB 4.13Å; A509-F523 HydrophobicContact CB-CD1 3.87Å; A509-F523 HydrophobicContact CB-CD2 4.34Å; A509-F523 HydrophobicContact CB-CE1 4.35Å; A509-F523 HydrophobicContact CB-CG 3.86Å
510	K	96.5	Very high	93.6	Very high	139 Å²	139	61.2 Å²	61.2	60%	0.604	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.2	176.9	64	-179.1	-179.5	179.2	0	110.4	F484 M485	F484-K510 VanDerWaalsContact O-CA 3.31Å; F484-K510 WeakPolarHBondContact O-CA 3.43Å; M485-K510 HydrophobicContact CE-CB 4.43Å; M485-K510 HydrophobicContact CE-CD 4.34Å; M485-K510 HydrophobicContact SD-CB 3.42Å; M485-K510 WeakPolarHBondContact SD-CB 3.35Å; M485-K510 HydrophobicContact SD-CD 4.12Å; M485-K510 HydrophobicContact SD-CG 4.41Å
511	S	96.6	Very high	93.8	Very high	7 Å²	7	59 Å²	59	5%	0.049	31%	0.314	C	S	.	.			trans	-84.3	171.8	162.4	75.5	0	0	0	0	111	G483 F484	G483-S511 WeakPolarHBondContact CA-OG 3.14Å; F484-S511 PolarHBondContact N-OG 2.96Å; F484-S511 PolarHBondContact O-N 2.81Å
512	Q	94	Very high	93.8	Very high	136 Å²	136	58.6 Å²	58.6	64%	0.636	31%	0.313	S	S	*	.			trans	-72.7	158.7	158.5	-60	-174	7.8	0	0	109.7	I514	Q512-I514 HydrophobicContact CB-CG2 4.06Å
513	F	95.7	Very high	93.7	Very high	48 Å²	48	59.4 Å²	59.4	21%	0.211	32%	0.316	C	S	.	.			trans	-100.3	107.5	168.8	-83.3	-102.2	0	0	0	108.3	C431 I482 M485 S535 F537	C431-F513 HydrophobicContact CB-CD1 4.39Å; C431-F513 HydrophobicContact CB-CE1 3.71Å; C431-F513 HydrophobicContact CB-CE2 4.31Å; C431-F513 HydrophobicContact CB-CZ 3.67Å; I482-F513 VanDerWaalsContact O-CA 3.32Å; I482-F513 WeakPolarHBondContact O-CA 3.34Å; M485-F513 HydrophobicContact CE-CE2 4.13Å; F513-S535 WeakPolarHBondContact CE1-O 3.29Å; F513-S535 WeakPolarHBondContact CE1-OG 3.36Å; F513-S535 WeakPolarHBondContact CZ-OG 3.39Å; F513-F537 HydrophobicContact CB-CD2 3.99Å; F513-F537 HydrophobicContact CD1-CB 3.95Å; F513-F537 HydrophobicContact CD1-CD2 4.03Å; F513-F537 HydrophobicContact CG-CD2 4.07Å
514	I	92.6	Very high	93.7	Very high	56 Å²	56	58.9 Å²	58.9	29%	0.287	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-138.3	153.2	-173.4	57.3	171.9	0	0	0	110.8	P481 I482 Q512 T516 V519	P481-I514 WeakPolarHBondContact CA-O 3.43Å; I482-I514 PolarHBondContact N-O 2.94Å; I482-I514 VanDerWaalsContact N-O 3.08Å; I482-I514 PolarHBondContact O-N 2.9Å; Q512-I514 HydrophobicContact CB-CG2 4.06Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 HydrophobicContact CD1-CG2 3.79Å; I514-T516 HydrophobicContact CG1-CG2 4.18Å; I514-T516 PolarHBondContact O-N 3.32Å; I514-V519 HydrophobicContact CD1-CB 4.36Å; I514-V519 HydrophobicContact CD1-CG2 4.02Å; I514-V519 HydrophobicContact CG1-CB 4.15Å; I514-V519 HydrophobicContact CG1-CG2 3.95Å
515	N	89	Confident	93.8	Very high	103 Å²	103	53.8 Å²	53.8	55%	0.551	28%	0.277	S	S	*	.	S	Bend	trans	-89	62.9	-178.4	61	-28.9	0	0	0	112.1	F479 P481	F479-N515 WeakPolarHBondContact O-CB 3.28Å; P481-N515 HydrophobicContact CG-CB 4.39Å
516	T	86.3	Confident	93.8	Very high	49 Å²	49	53.3 Å²	53.3	30%	0.301	28%	0.284	S	S	.	.	S	Bend	trans	-118.6	166.2	177.6	57.1	0	0	0	0	111.8	Q468 I514 E518	Q468-T516 PolarHBondContact NE2-O 2.91Å; I514-T516 VanDerWaalsContact C-N 3.33Å; I514-T516 HydrophobicContact CD1-CG2 3.79Å; I514-T516 HydrophobicContact CG1-CG2 4.18Å; I514-T516 PolarHBondContact O-N 3.32Å; T516-E518 VanDerWaalsContact C-N 3.3Å; T516-E518 PolarHBondContact O-N 2.82Å; T516-E518 PolarHBondContact OG1-O 2.94Å
517	R	85.1	Confident	93.8	Very high	15 Å²	15	50.4 Å²	50.4	6%	0.057	26%	0.263	C	S	.	.	S	Bend	trans	-55.6	-47.4	172.3	177.9	-177.6	169.2	-173.2	-5.2	111.1	D258 M467 Q468 F479	D258-R517 IonicContact OD1-CZ 3.57Å; D258-R517 IonicContact OD1-NH1 2.59Å; D258-R517 PolarHBondContact OD1-NH1 3.23Å; D258-R517 IonicContact OD1-NH2 2.64Å; D258-R517 PolarHBondContact OD1-NH2 3.41Å; D258-R517 IonicContact OD2-NH1 3.74Å; M467-R517 CarbonylContact C-O 3.58Å; M467-R517 VanDerWaalsContact CA-O 3.31Å; M467-R517 WeakPolarHBondContact CA-O 3.48Å; M467-R517 HydrophobicContact CG-CG 4.06Å; M467-R517 WeakPolarHBondContact CG-O 3.28Å; Q468-R517 PolarHBondContact N-O 3.14Å; F479-R517 HydrophobicContact CD1-CB 4.35Å; F479-R517 HydrophobicContact CE1-CB 3.76Å; F479-R517 HydrophobicContact CE1-CG 4.18Å; F479-R517 HydrophobicContact CE2-CB 4.12Å; F479-R517 HydrophobicContact CZ-CB 3.63Å; F479-R517 HydrophobicContact CZ-CG 4.28Å
518	E	91.4	Very high	93.7	Very high	22 Å²	22	49 Å²	49	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.1	177.2	-176.8	164.5	-147.1	0	0	110.3	E257 G465 L466 M467 T516 T520 R548	E257-E518 VanDerWaalsContact CD-OE2 3.3Å; E257-E518 VanDerWaalsContact OE1-OE2 3.1Å; G465-E518 WeakPolarHBondContact CA-OE1 3.34Å; L466-E518 VanDerWaalsContact O-CA 3.27Å; L466-E518 WeakPolarHBondContact O-CA 3.18Å; M467-E518 HydrophobicContact CB-CB 3.87Å; M467-E518 HydrophobicContact CB-CG 3.9Å; M467-E518 HydrophobicContact CE-CB 4.12Å; M467-E518 HydrophobicContact CE-CG 4.38Å; M467-E518 WeakPolarHBondContact CE-OE2 3.49Å; M467-E518 HydrophobicContact CG-CB 4.05Å; T516-E518 VanDerWaalsContact C-N 3.3Å; T516-E518 PolarHBondContact O-N 2.82Å; T516-E518 PolarHBondContact OG1-O 2.94Å; E518-T520 HydrophobicContact CG-CG2 3.97Å; E518-R548 IonicContact OE1-CZ 3.85Å; E518-R548 IonicContact OE1-NE 3.22Å; E518-R548 PolarHBondContact OE1-NE 3.48Å; E518-R548 IonicContact OE1-NH2 2.68Å; E518-R548 PolarHBondContact OE1-NH2 2.99Å; E518-R548 IonicContact OE2-CZ 3.69Å; E518-R548 IonicContact OE2-NH2 2.62Å; E518-R548 PolarHBondContact OE2-NH2 3.36Å
519	V	94.3	Very high	93.7	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.3	167.4	63.1	0	0	0	0	109.1	G465 L466 I482 F484 I514	G465-V519 WeakPolarHBondContact CA-O 3.32Å; L466-V519 HydrophobicContact CB-CG1 3.97Å; L466-V519 HydrophobicContact CD2-CG1 4.43Å; L466-V519 PolarHBondContact N-O 2.63Å; L466-V519 PolarHBondContact O-N 2.79Å; I482-V519 HydrophobicContact CD1-CG1 4.08Å; I482-V519 HydrophobicContact CG1-CG1 4.21Å; F484-V519 HydrophobicContact CD1-CG1 4.41Å; F484-V519 HydrophobicContact CE1-CG1 4.44Å; I514-V519 HydrophobicContact CD1-CB 4.36Å; I514-V519 HydrophobicContact CD1-CG2 4.02Å; I514-V519 HydrophobicContact CG1-CB 4.15Å; I514-V519 HydrophobicContact CG1-CG2 3.95Å
520	T	96	Very high	93.8	Very high	35 Å²	35	45.7 Å²	45.7	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.8	-178.3	59.3	0	0	0	0	111.7	I263 C264 I464 E518	I263-T520 HydrophobicContact CD1-CG2 4.17Å; I263-T520 HydrophobicContact CG1-CG2 4Å; C264-T520 WeakPolarHBondContact O-CG2 3.36Å; C264-T520 PolarHBondContact O-OG1 3.49Å; I464-T520 CarbonylContact O-C 3.57Å; I464-T520 WeakPolarHBondContact O-CA 3.47Å; E518-T520 HydrophobicContact CG-CG2 3.97Å
521	A	95.4	Very high	93.8	Very high	17 Å²	17	39.1 Å²	39.1	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.1	168.3	0	0	0	0	0	110.9	I464 F484	I464-A521 PolarHBondContact N-O 3.2Å; I464-A521 PolarHBondContact O-N 3.07Å; F484-A521 HydrophobicContact CE2-CB 4.21Å; F484-A521 HydrophobicContact CZ-CB 3.67Å
522	Q	94.3	Very high	93.9	Very high	58 Å²	58	38.8 Å²	38.8	27%	0.271	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.8	174.4	-168.9	-178.1	6.1	0	0	110.1	L265 Y285 V462 L463	L265-Q522 HydrophobicContact CD2-CB 4.24Å; L265-Q522 VanDerWaalsContact CD2-OE1 3.23Å; Y285-Q522 PolarHBondContact OH-OE1 3.17Å; V462-Q522 CarbonylContact O-C 3.49Å; V462-Q522 WeakPolarHBondContact O-CA 3.09Å; L463-Q522 HydrophobicContact CB-CG 4.46Å; L463-Q522 HydrophobicContact CD1-CB 4.09Å
523	F	93.5	Very high	94.1	Very high	23 Å²	23	32.3 Å²	32.3	10%	0.101	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.2	177.3	49.9	-92.1	0	0	0	112.4	V462 I464 V486 A509 V525	V462-F523 HydrophobicContact CB-CD2 3.92Å; V462-F523 HydrophobicContact CB-CE2 3.47Å; V462-F523 VanDerWaalsContact CB-CE2 3.47Å; V462-F523 HydrophobicContact CB-CZ 3.8Å; V462-F523 HydrophobicContact CG1-CE1 4.24Å; V462-F523 HydrophobicContact CG1-CE2 3.65Å; V462-F523 HydrophobicContact CG1-CZ 3.47Å; V462-F523 VanDerWaalsContact CG1-CZ 3.47Å; V462-F523 HydrophobicContact CG2-CE2 4.15Å; V462-F523 PolarHBondContact N-O 2.79Å; V462-F523 PolarHBondContact O-N 3.42Å; I464-F523 HydrophobicContact CB-CE1 4.4Å; I464-F523 HydrophobicContact CD1-CE1 3.62Å; I464-F523 HydrophobicContact CD1-CZ 3.46Å; I464-F523 VanDerWaalsContact CD1-CZ 3.46Å; I464-F523 HydrophobicContact CG1-CE1 3.73Å; I464-F523 HydrophobicContact CG1-CZ 3.85Å; V486-F523 HydrophobicContact CG1-CE2 4.45Å; V486-F523 HydrophobicContact CG1-CZ 4.24Å; V486-F523 HydrophobicContact CG2-CE1 4.01Å; V486-F523 HydrophobicContact CG2-CZ 3.93Å; A509-F523 HydrophobicContact CB-CB 4.13Å; A509-F523 HydrophobicContact CB-CD1 3.87Å; A509-F523 HydrophobicContact CB-CD2 4.34Å; A509-F523 HydrophobicContact CB-CE1 4.35Å; A509-F523 HydrophobicContact CB-CG 3.86Å; F523-V525 HydrophobicContact CD2-CB 4.48Å; F523-V525 HydrophobicContact CD2-CG1 3.62Å; F523-V525 HydrophobicContact CD2-CG2 4.14Å; F523-V525 HydrophobicContact CE2-CG1 4.03Å; F523-V525 HydrophobicContact CE2-CG2 4.14Å
524	R	92.7	Very high	94.3	Very high	80 Å²	80	30 Å²	30	30%	0.302	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.4	178.8	-67.3	-71.3	-68.6	-174.1	-6.8	109.3	D452 D455 D457 K459 C460 S461	D452-R524 IonicContact OD2-NH1 2.7Å; D452-R524 PolarHBondContact OD2-NH1 2.87Å; D455-R524 IonicContact OD2-CZ 3.29Å; D455-R524 IonicContact OD2-NH1 2.73Å; D455-R524 PolarHBondContact OD2-NH1 3.05Å; D455-R524 IonicContact OD2-NH2 3.7Å; D455-R524 PolarHBondContact OD2-NH2 2.79Å; D457-R524 IonicContact OD1-CZ 3.99Å; D457-R524 IonicContact OD1-NH2 2.8Å; D457-R524 PolarHBondContact OD1-NH2 3.34Å; D457-R524 IonicContact OD2-CZ 2.73Å; D457-R524 IonicContact OD2-NE 3.66Å; D457-R524 PolarHBondContact OD2-NE 3.2Å; D457-R524 IonicContact OD2-NH2 3.83Å; D457-R524 PolarHBondContact OD2-NH2 2.9Å; K459-R524 HydrophobicContact CD-CB 4.04Å; C460-R524 WeakPolarHBondContact O-CA 3.41Å; S461-R524 PolarHBondContact OG-NH1 3.49Å
525	V	95.2	Very high	94.5	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.1	-177.9	-74.5	0	0	0	0	110.6	V448 K459 C460 V462 I508 F523 Y530	V448-V525 HydrophobicContact CG2-CG2 4.48Å; K459-V525 CarbonylContact C-O 3.56Å; K459-V525 WeakPolarHBondContact CA-O 3.35Å; K459-V525 WeakPolarHBondContact CB-O 3.38Å; C460-V525 HydrophobicContact CB-CG2 4.48Å; C460-V525 PolarHBondContact N-O 3.42Å; C460-V525 PolarHBondContact O-N 2.99Å; C460-V525 VanDerWaalsContact O-N 3.11Å; V462-V525 HydrophobicContact CG2-CG2 3.74Å; I508-V525 HydrophobicContact CD1-CG1 3.81Å; F523-V525 HydrophobicContact CD2-CB 4.48Å; F523-V525 HydrophobicContact CD2-CG1 3.62Å; F523-V525 HydrophobicContact CD2-CG2 4.14Å; F523-V525 HydrophobicContact CE2-CG1 4.03Å; F523-V525 HydrophobicContact CE2-CG2 4.14Å; V525-Y530 HydrophobicContact CB-CE1 4.29Å; V525-Y530 HydrophobicContact CB-CE2 4.12Å; V525-Y530 HydrophobicContact CG1-CE1 4.29Å; V525-Y530 HydrophobicContact CG2-CD2 4.49Å; V525-Y530 HydrophobicContact CG2-CE2 3.8Å
526	P	95.3	Very high	94.9	Very high	72 Å²	72	22.5 Å²	22.5	47%	0.468	13%	0.127	S	C	.	.			trans	-58.3	162.1	168.1	-21.6	33.8	0	0	0	111.7	G528 Y530	P526-G528 PolarHBondContact O-N 3.4Å; P526-Y530 PolarHBondContact O-OH 2.78Å
527	P	95.5	Very high	95.4	Very high	43 Å²	43	24.1 Å²	24.1	28%	0.279	13%	0.13	S	C	.	.	S	Bend	trans	-56	136.3	164.4	-24.2	33.9	0	0	0	110.8	V448 P451 N458	V448-P527 CarbonylContact O-C 3.53Å; V448-P527 WeakPolarHBondContact O-CA 3.01Å; P451-P527 HydrophobicContact CB-CG 4.11Å; P451-P527 HydrophobicContact CG-CG 4.44Å; N458-P527 WeakPolarHBondContact O-CD 3.37Å
528	G	95.5	Very high	96	Very high	22 Å²	22	27.1 Å²	27.1	23%	0.227	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-177.6	-173.6	0	0	0	0	0	114.4	T447 V448 P526 Y530	T447-G528 WeakPolarHBondContact CA-O 3.32Å; V448-G528 PolarHBondContact N-O 3.33Å; V448-G528 PolarHBondContact O-N 2.97Å; P526-G528 PolarHBondContact O-N 3.4Å; G528-Y530 WeakPolarHBondContact O-CE2 3.47Å
529	S	96.8	Very high	96.2	Very high	11 Å²	11	28 Å²	28	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.7	179.2	-60.9	0	0	0	0	111.8	R445 I446 T447 A489	R445-S529 PolarHBondContact NH2-OG 2.93Å; I446-S529 CarbonylContact O-C 3.53Å; I446-S529 WeakPolarHBondContact O-CA 3.37Å; T447-S529 PolarHBondContact OG1-OG 3.16Å; A489-S529 PolarHBondContact N-O 2.82Å
530	Y	97.6	Very high	96.2	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.6	-177.7	-56.9	-75.3	0	0	0	111.4	R445 I446 V448 V486 Y487 N488 I508 V525 P526 G528	R445-Y530 CarbonylContact C-O 3.41Å; R445-Y530 VanDerWaalsContact CA-O 3.29Å; R445-Y530 WeakPolarHBondContact CA-O 3.38Å; I446-Y530 PolarHBondContact N-O 3.01Å; I446-Y530 PolarHBondContact O-N 2.98Å; V448-Y530 HydrophobicContact CG2-CD2 4.2Å; V448-Y530 HydrophobicContact CG2-CE2 3.74Å; V486-Y530 HydrophobicContact CG1-CD1 4.45Å; V486-Y530 HydrophobicContact CG1-CG 4.47Å; Y487-Y530 CarbonylContact O-C 3.52Å; Y487-Y530 WeakPolarHBondContact O-CA 3.5Å; N488-Y530 VanDerWaalsContact OD1-CE1 3.22Å; N488-Y530 WeakPolarHBondContact OD1-CE1 3.06Å; I508-Y530 HydrophobicContact CD1-CD1 3.23Å; I508-Y530 HydrophobicContact CD1-CE1 3.22Å; I508-Y530 HydrophobicContact CD1-CG 4.35Å; V525-Y530 HydrophobicContact CB-CE1 4.29Å; V525-Y530 HydrophobicContact CB-CE2 4.12Å; V525-Y530 HydrophobicContact CG1-CE1 4.29Å; V525-Y530 HydrophobicContact CG2-CD2 4.49Å; V525-Y530 HydrophobicContact CG2-CE2 3.8Å; P526-Y530 PolarHBondContact O-OH 2.78Å; G528-Y530 WeakPolarHBondContact O-CE2 3.47Å
531	V	98.2	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.7	168.9	-177.1	0	0	0	0	109	Q443 F444 V486 Y487 A489 L493 L497 I533 L560	Q443-V531 HydrophobicContact CB-CG1 3.89Å; F444-V531 CarbonylContact O-C 3.54Å; F444-V531 WeakPolarHBondContact O-CA 3.05Å; V486-V531 CarbonylContact C-O 3.51Å; V486-V531 WeakPolarHBondContact CA-O 3.49Å; Y487-V531 PolarHBondContact N-O 3.12Å; Y487-V531 PolarHBondContact O-N 3.08Å; A489-V531 HydrophobicContact CB-CG2 3.66Å; L493-V531 HydrophobicContact CD2-CG2 3.5Å; L493-V531 VanDerWaalsContact CD2-CG2 3.5Å; L497-V531 HydrophobicContact CD1-CB 3.94Å; L497-V531 HydrophobicContact CD1-CG1 4.14Å; L497-V531 HydrophobicContact CD1-CG2 3.79Å; L497-V531 HydrophobicContact CG-CG2 4.23Å; V531-I533 HydrophobicContact CG1-CD1 4.33Å; V531-I533 HydrophobicContact CG1-CG1 3.84Å; V531-L560 HydrophobicContact CG1-CD1 4.12Å; V531-L560 HydrophobicContact CG2-CD1 3.97Å
532	V	98.4	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.3	172.5	-170.9	0	0	0	0	108.2	F444 I446 I464 F484 M485 P534 L547	F444-V532 PolarHBondContact N-O 2.85Å; F444-V532 PolarHBondContact O-N 2.84Å; I446-V532 HydrophobicContact CD1-CG2 3.92Å; I446-V532 HydrophobicContact CG1-CG2 4.23Å; I464-V532 HydrophobicContact CD1-CB 4.43Å; I464-V532 HydrophobicContact CD1-CG1 3.96Å; I464-V532 HydrophobicContact CD1-CG2 3.54Å; I464-V532 HydrophobicContact CG2-CG1 4.36Å; F484-V532 HydrophobicContact CB-CG1 4.21Å; F484-V532 HydrophobicContact CD2-CG1 4.23Å; F484-V532 HydrophobicContact CG-CG1 4.4Å; M485-V532 WeakPolarHBondContact O-CA 3.42Å; V532-P534 WeakPolarHBondContact O-CD 3.46Å; V532-L547 HydrophobicContact CB-CD2 4.04Å; V532-L547 HydrophobicContact CG1-CD1 4.09Å; V532-L547 HydrophobicContact CG1-CD2 3.78Å
533	I	98.4	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	96.5	179.2	-53.1	-172.4	0	0	0	108.4	Y438 Q443 F484 M485 Y487 L502 V531	Y438-I533 HydrophobicContact CE1-CD1 4.43Å; Y438-I533 HydrophobicContact CE2-CB 4.43Å; Y438-I533 HydrophobicContact CE2-CG2 3.7Å; Q443-I533 HydrophobicContact CB-CG1 4.4Å; Q443-I533 HydrophobicContact CG-CD1 3.96Å; Q443-I533 HydrophobicContact CG-CG1 3.97Å; F484-I533 VanDerWaalsContact CA-O 3.27Å; F484-I533 WeakPolarHBondContact CA-O 3.39Å; M485-I533 PolarHBondContact N-O 3.47Å; M485-I533 PolarHBondContact O-N 3.23Å; Y487-I533 HydrophobicContact CD2-CD1 4.11Å; Y487-I533 HydrophobicContact CD2-CG1 4.34Å; Y487-I533 HydrophobicContact CE2-CD1 3.87Å; Y487-I533 HydrophobicContact CE2-CG1 4.26Å; L502-I533 HydrophobicContact CD1-CD1 3.84Å; L502-I533 HydrophobicContact CD2-CD1 3.65Å; L502-I533 HydrophobicContact CG-CD1 4.42Å; V531-I533 HydrophobicContact CG1-CD1 4.33Å; V531-I533 HydrophobicContact CG1-CG1 3.84Å
534	P	98.3	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.8	170.8	32.3	-36.2	0	0	0	111.3	W422 P442 F444 L466 G483 F484 V532 F545 L547	W422-P534 HydrophobicContact CZ2-CB 3.98Å; W422-P534 PolarHBondContact NE1-O 2.95Å; P442-P534 HydrophobicContact CB-CG 4.45Å; P442-P534 WeakPolarHBondContact O-CD 3.34Å; F444-P534 HydrophobicContact CD2-CG 3.92Å; F444-P534 HydrophobicContact CE2-CG 3.63Å; L466-P534 HydrophobicContact CD1-CB 3.56Å; L466-P534 HydrophobicContact CD1-CG 4.43Å; L466-P534 HydrophobicContact CD2-CB 3.61Å; L466-P534 HydrophobicContact CG-CB 4.19Å; G483-P534 WeakPolarHBondContact O-CA 3.49Å; F484-P534 HydrophobicContact CB-CB 4.37Å; V532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-F545 HydrophobicContact CB-CE2 4.47Å; P534-F545 HydrophobicContact CG-CE2 3.84Å; P534-F545 HydrophobicContact CG-CZ 3.92Å; P534-L547 HydrophobicContact CG-CD2 4.44Å
535	S	98.1	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.9	177.6	79.6	0	0	0	0	112.1	G430 C431 G483 F513	G430-S535 WeakPolarHBondContact O-CB 3.48Å; G430-S535 PolarHBondContact O-OG 2.8Å; C431-S535 WeakPolarHBondContact CA-OG 3.17Å; G483-S535 PolarHBondContact N-O 2.97Å; G483-S535 PolarHBondContact O-N 3.23Å; G483-S535 VanDerWaalsContact O-O 3.06Å; F513-S535 WeakPolarHBondContact CE1-O 3.29Å; F513-S535 WeakPolarHBondContact CE1-OG 3.36Å; F513-S535 WeakPolarHBondContact CZ-OG 3.39Å
536	T	97.3	Very high	95.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	161.6	155.9	50.3	0	0	0	0	109.5	W422 G430 C431 P481 I482 D538 I541	W422-T536 HydrophobicContact CD2-CG2 4.04Å; W422-T536 HydrophobicContact CE3-CG2 3.9Å; W422-T536 HydrophobicContact CG-CG2 4.49Å; W422-T536 HydrophobicContact CZ3-CG2 4.23Å; G430-T536 CarbonylContact C-O 3.56Å; G430-T536 WeakPolarHBondContact CA-O 3.37Å; C431-T536 PolarHBondContact N-O 3.23Å; P481-T536 CarbonylContact O-C 3.55Å; I482-T536 HydrophobicContact CG2-CG2 4.16Å; T536-D538 WeakPolarHBondContact CB-O 3.21Å; T536-D538 PolarHBondContact OG1-O 2.81Å; T536-I541 HydrophobicContact CG2-CB 3.9Å; T536-I541 HydrophobicContact CG2-CG2 3.85Å
537	F	97.1	Very high	95.6	Very high	83 Å²	83	28.1 Å²	28.1	36%	0.364	15%	0.152	S	C	.	.	S	Bend	trans	-66.2	-51.7	174.5	-174.2	-96.7	0	0	0	110.8	C431 N434 P481 F513	C431-F537 HydrophobicContact CB-CD2 4.48Å; C431-F537 PolarHBondContact N-O 2.69Å; C431-F537 PolarHBondContact SG-O 3.04Å; N434-F537 PolarHBondContact ND2-O 2.93Å; P481-F537 HydrophobicContact CB-CB 3.86Å; P481-F537 PolarHBondContact O-N 2.85Å; F513-F537 HydrophobicContact CB-CD2 3.99Å; F513-F537 HydrophobicContact CD1-CB 3.95Å; F513-F537 HydrophobicContact CD1-CD2 4.03Å; F513-F537 HydrophobicContact CG-CD2 4.07Å
538	D	97	Very high	95.6	Very high	79 Å²	79	26.1 Å²	26.1	42%	0.422	14%	0.139	S	C	.	.	S	Bend	trans	-90.9	147.1	177.2	-61	-54.6	0	0	0	111.5	T536 I541	T536-D538 WeakPolarHBondContact CB-O 3.21Å; T536-D538 PolarHBondContact OG1-O 2.81Å; D538-I541 HydrophobicContact CB-CG1 4.09Å
539	P	95.8	Very high	95.6	Very high	41 Å²	41	25 Å²	25	27%	0.266	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	164.4	175.5	32	-34.4	0	0	0	111.3	A428 N434 I541	A428-P539 CarbonylContact O-C 3.3Å; A428-P539 VanDerWaalsContact O-CA 3.29Å; A428-P539 WeakPolarHBondContact O-CA 3.04Å; N434-P539 WeakPolarHBondContact OD1-CD 3.42Å; P539-I541 PolarHBondContact O-N 3.27Å; P539-I541 VanDerWaalsContact O-N 3.16Å
540	N	94.4	Very high	95.4	Very high	40 Å²	40	24.6 Å²	24.6	21%	0.214	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	16	175.8	-76.9	-18.4	0	0	0	116.1	R424 N425 A428 Y681	R424-N540 HydrophobicContact CG-CB 3.94Å; N425-N540 PolarHBondContact N-OD1 2.61Å; N425-N540 PolarHBondContact OD1-ND2 3.39Å; N425-N540 VanDerWaalsContact OD1-ND2 3.12Å; N425-N540 PolarHBondContact OD1-OD1 2.78Å; A428-N540 PolarHBondContact O-N 2.9Å; N540-Y681 PolarHBondContact OD1-OH 2.88Å
541	I	93.9	Very high	95.2	Very high	49 Å²	49	24.3 Å²	24.3	25%	0.251	12%	0.124	S	C	.	.			trans	-84.5	126	172.2	-59	-58.1	0	0	0	109.9	W422 Q480 T536 D538 P539 V543	W422-I541 WeakPolarHBondContact CB-O 2.89Å; Q480-I541 HydrophobicContact CB-CG2 4.32Å; Q480-I541 HydrophobicContact CG-CG2 3.76Å; T536-I541 HydrophobicContact CG2-CB 3.9Å; T536-I541 HydrophobicContact CG2-CG2 3.85Å; D538-I541 HydrophobicContact CB-CG1 4.09Å; P539-I541 PolarHBondContact O-N 3.27Å; P539-I541 VanDerWaalsContact O-N 3.16Å; I541-V543 HydrophobicContact CG2-CG2 4.12Å
542	E	92.1	Very high	94.7	Very high	128 Å²	128	25.2 Å²	25.2	60%	0.598	13%	0.129	S	C	*	.			trans	-97.9	110.8	-176.6	-61.5	-168.7	113	0	0	112.3	W422 R424	W422-E542 VanDerWaalsContact O-CA 3.28Å; W422-E542 WeakPolarHBondContact O-CA 3.49Å; R424-E542 HydrophobicContact CB-CG 3.69Å; R424-E542 PolarHBondContact N-OE1 2.78Å
543	V	90.5	Very high	94.3	Very high	16 Å²	16	25.9 Å²	25.9	10%	0.097	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	141.9	179.3	173.1	0	0	0	0	110	Q421 W422 Q468 I471 Q480 I541	Q421-V543 WeakPolarHBondContact CA-O 3.36Å; W422-V543 HydrophobicContact CE3-CB 3.83Å; W422-V543 HydrophobicContact CE3-CG1 4.23Å; W422-V543 HydrophobicContact CZ3-CB 4.11Å; W422-V543 HydrophobicContact CZ3-CG1 4.05Å; W422-V543 PolarHBondContact N-O 3.03Å; W422-V543 PolarHBondContact O-N 3.01Å; Q468-V543 HydrophobicContact CB-CG1 3.95Å; Q468-V543 HydrophobicContact CG-CG1 4.01Å; I471-V543 HydrophobicContact CD1-CG1 3.91Å; I471-V543 HydrophobicContact CD1-CG2 4.31Å; Q480-V543 HydrophobicContact CB-CG2 4.45Å; Q480-V543 HydrophobicContact CG-CG2 3.83Å; I541-V543 HydrophobicContact CG2-CG2 4.12Å
544	N	91.6	Very high	93.8	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140	170.6	-67.8	-7.9	0	0	0	110	Q421 T469	Q421-N544 WeakPolarHBondContact CB-OD1 3.31Å; T469-N544 PolarHBondContact N-O 3.38Å; T469-N544 WeakPolarHBondContact OG1-CB 3.4Å; T469-N544 PolarHBondContact OG1-O 2.99Å
545	F	93.4	Very high	93.3	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163	-177.3	67.9	-93.2	0	0	0	113	G420 W422 P442 F444 L466 M467 P534 L547	G420-F545 VanDerWaalsContact C-CE1 3.44Å; G420-F545 PolarHBondContact N-O 3.3Å; G420-F545 PolarHBondContact O-N 2.97Å; G420-F545 VanDerWaalsContact O-O 3.12Å; W422-F545 AromaticContact CD2-CD1 3.7Å; W422-F545 HydrophobicContact CD2-CD1 3.7Å; W422-F545 AromaticContact CD2-CE1 3.85Å; W422-F545 HydrophobicContact CD2-CE1 3.85Å; W422-F545 AromaticContact CE2-CD1 3.76Å; W422-F545 AromaticContact CE2-CE1 3.7Å; W422-F545 AromaticContact CE3-CD1 3.54Å; W422-F545 HydrophobicContact CE3-CD1 3.54Å; W422-F545 HydrophobicContact CE3-CE1 4.19Å; W422-F545 HydrophobicContact CE3-CG 4.4Å; W422-F545 HydrophobicContact CG-CE1 4.34Å; W422-F545 HydrophobicContact CH2-CB 3.87Å; W422-F545 AromaticContact CH2-CD1 3.64Å; W422-F545 HydrophobicContact CH2-CD1 3.64Å; W422-F545 HydrophobicContact CH2-CE1 4.34Å; W422-F545 AromaticContact CH2-CG 3.82Å; W422-F545 HydrophobicContact CH2-CG 3.82Å; W422-F545 AromaticContact CZ2-CD1 3.76Å; W422-F545 HydrophobicContact CZ2-CD1 3.76Å; W422-F545 AromaticContact CZ2-CE1 3.99Å; W422-F545 HydrophobicContact CZ2-CE1 3.99Å; W422-F545 HydrophobicContact CZ2-CG 4.19Å; W422-F545 HydrophobicContact CZ3-CB 3.76Å; W422-F545 AromaticContact CZ3-CD1 3.52Å; W422-F545 HydrophobicContact CZ3-CD1 3.52Å; W422-F545 HydrophobicContact CZ3-CE1 4.43Å; W422-F545 AromaticContact CZ3-CG 3.93Å; W422-F545 HydrophobicContact CZ3-CG 3.93Å; P442-F545 HydrophobicContact CB-CZ 3.95Å; P442-F545 HydrophobicContact CG-CE1 4Å; P442-F545 HydrophobicContact CG-CZ 3.88Å; F444-F545 AromaticContact CE2-CE2 3.8Å; F444-F545 HydrophobicContact CE2-CE2 3.8Å; F444-F545 AromaticContact CE2-CZ 3.88Å; F444-F545 HydrophobicContact CE2-CZ 3.88Å; F444-F545 HydrophobicContact CZ-CE2 4.03Å; F444-F545 HydrophobicContact CZ-CZ 4.03Å; L466-F545 HydrophobicContact CD1-CB 4.03Å; L466-F545 HydrophobicContact CD1-CD2 3.56Å; L466-F545 HydrophobicContact CD1-CE2 4.27Å; L466-F545 HydrophobicContact CD1-CG 3.95Å; M467-F545 CarbonylContact O-C 3.46Å; M467-F545 WeakPolarHBondContact O-CA 3.45Å; M467-F545 WeakPolarHBondContact O-CB 3.45Å; P534-F545 HydrophobicContact CB-CE2 4.47Å; P534-F545 HydrophobicContact CG-CE2 3.84Å; P534-F545 HydrophobicContact CG-CZ 3.92Å; F545-L547 HydrophobicContact CD2-CB 4.47Å; F545-L547 HydrophobicContact CE2-CB 4.35Å
546	I	92.5	Very high	93	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.1	158.6	62.5	168.1	0	0	0	109.7	W194 F418 M467 T469 R548	W194-I546 HydrophobicContact CH2-CD1 3.63Å; W194-I546 HydrophobicContact CZ2-CD1 4.27Å; F418-I546 CarbonylContact O-C 3.53Å; F418-I546 VanDerWaalsContact O-CA 3.24Å; F418-I546 WeakPolarHBondContact O-CA 3.31Å; M467-I546 HydrophobicContact CB-CD1 4.27Å; M467-I546 HydrophobicContact CB-CG1 3.73Å; M467-I546 HydrophobicContact CG-CG1 4.47Å; M467-I546 PolarHBondContact N-O 2.92Å; M467-I546 PolarHBondContact O-N 3.1Å; M467-I546 HydrophobicContact SD-CD1 4.22Å; T469-I546 HydrophobicContact CG2-CG2 4.04Å; I546-R548 HydrophobicContact CD1-CG 4.14Å
547	L	95.8	Very high	92.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.7	170.4	-178.9	74.3	0	0	0	107.9	I417 F418 F444 I464 G465 L466 V532 P534 F545	I417-L547 WeakPolarHBondContact CA-O 3.31Å; F418-L547 HydrophobicContact CB-CB 4.27Å; F418-L547 HydrophobicContact CD2-CB 4.29Å; F418-L547 HydrophobicContact CD2-CD2 3.96Å; F418-L547 HydrophobicContact CD2-CG 4.33Å; F418-L547 HydrophobicContact CE2-CD2 4.4Å; F418-L547 PolarHBondContact N-O 3.37Å; F418-L547 PolarHBondContact O-N 3.31Å; F444-L547 HydrophobicContact CB-CD2 4.05Å; F444-L547 HydrophobicContact CD2-CD2 3.47Å; F444-L547 VanDerWaalsContact CD2-CD2 3.47Å; F444-L547 HydrophobicContact CE2-CD2 4.18Å; F444-L547 HydrophobicContact CG-CD2 3.94Å; I464-L547 HydrophobicContact CG2-CD1 3.55Å; I464-L547 HydrophobicContact CG2-CG 4.46Å; G465-L547 CarbonylContact O-C 3.49Å; G465-L547 WeakPolarHBondContact O-CA 3.42Å; L466-L547 HydrophobicContact CB-CD1 4.19Å; L466-L547 HydrophobicContact CD1-CD1 4.22Å; V532-L547 HydrophobicContact CB-CD2 4.04Å; V532-L547 HydrophobicContact CG1-CD1 4.09Å; V532-L547 HydrophobicContact CG1-CD2 3.78Å; P534-L547 HydrophobicContact CG-CD2 4.44Å; F545-L547 HydrophobicContact CD2-CB 4.47Å; F545-L547 HydrophobicContact CE2-CB 4.35Å
548	R	94.4	Very high	92.3	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132	-178.8	-60.2	-170.2	-69.2	169.1	0.2	109.2	W194 G261 G262 I263 A416 I417 I464 G465 E518 I546 F550	W194-R548 VanDerWaalsContact CH2-NH1 3.34Å; G261-R548 PolarHBondContact O-NH1 3.28Å; G262-R548 PolarHBondContact O-NH1 2.92Å; I263-R548 HydrophobicContact CD1-CB 4.34Å; A416-R548 CarbonylContact O-C 3.52Å; A416-R548 WeakPolarHBondContact O-CA 3.23Å; I417-R548 HydrophobicContact CD1-CG 4.46Å; I417-R548 HydrophobicContact CG1-CG 4.28Å; I417-R548 HydrophobicContact CG2-CG 4.45Å; I464-R548 CarbonylContact C-O 3.6Å; I464-R548 VanDerWaalsContact CA-O 3.26Å; I464-R548 WeakPolarHBondContact CA-O 3.16Å; G465-R548 PolarHBondContact N-O 3.27Å; G465-R548 PolarHBondContact O-N 2.91Å; E518-R548 IonicContact OE1-CZ 3.85Å; E518-R548 IonicContact OE1-NE 3.22Å; E518-R548 PolarHBondContact OE1-NE 3.48Å; E518-R548 IonicContact OE1-NH2 2.68Å; E518-R548 PolarHBondContact OE1-NH2 2.99Å; E518-R548 IonicContact OE2-CZ 3.69Å; E518-R548 IonicContact OE2-NH2 2.62Å; E518-R548 PolarHBondContact OE2-NH2 3.36Å; I546-R548 HydrophobicContact CD1-CG 4.14Å; R548-F550 HydrophobicContact CB-CD2 4.4Å; R548-F550 HydrophobicContact CB-CE2 4.1Å
549	V	95.4	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	178	-175.8	0	0	0	0	108	E415 A416 F418 I446 V462 L463 I464 I555	E415-V549 CarbonylContact C-O 3.59Å; E415-V549 WeakPolarHBondContact CA-O 3.43Å; A416-V549 HydrophobicContact CB-CB 4.42Å; A416-V549 PolarHBondContact N-O 2.88Å; A416-V549 PolarHBondContact O-N 3.45Å; F418-V549 HydrophobicContact CE2-CG2 4.46Å; I446-V549 HydrophobicContact CD1-CG1 3.62Å; I446-V549 HydrophobicContact CD1-CG2 4.42Å; I446-V549 HydrophobicContact CG2-CB 4.47Å; I446-V549 HydrophobicContact CG2-CG1 4.38Å; I446-V549 HydrophobicContact CG2-CG2 4.09Å; V462-V549 HydrophobicContact CG1-CG1 3.72Å; L463-V549 CarbonylContact O-C 3.45Å; L463-V549 WeakPolarHBondContact O-CA 3.2Å; I464-V549 HydrophobicContact CD1-CG2 4.3Å; I464-V549 HydrophobicContact CG1-CG1 4.19Å; I464-V549 HydrophobicContact CG1-CG2 4.11Å; V549-I555 HydrophobicContact CB-CD1 4.44Å; V549-I555 HydrophobicContact CG1-CD1 4Å; V549-I555 WeakPolarHBondContact O-CD1 3.36Å
550	F	94	Very high	92.1	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.1	-177.1	-82	-126.2	0	0	0	110.1	I263 H395 G397 L413 D414 E415 V462 L463 R548	I263-F550 HydrophobicContact CB-CD2 4.38Å; I263-F550 HydrophobicContact CB-CE1 4.49Å; I263-F550 HydrophobicContact CB-CE2 4.15Å; I263-F550 HydrophobicContact CB-CZ 4.21Å; I263-F550 HydrophobicContact CG2-CB 4.31Å; I263-F550 HydrophobicContact CG2-CD1 3.53Å; I263-F550 HydrophobicContact CG2-CD2 3.68Å; I263-F550 HydrophobicContact CG2-CE1 3.59Å; I263-F550 HydrophobicContact CG2-CE2 3.78Å; I263-F550 HydrophobicContact CG2-CG 3.58Å; I263-F550 HydrophobicContact CG2-CZ 3.74Å; H395-F550 HydrophobicContact CB-CD1 4.44Å; G397-F550 VanDerWaalsContact CA-CE1 3.46Å; L413-F550 HydrophobicContact CB-CD1 3.95Å; L413-F550 HydrophobicContact CD1-CB 4.19Å; L413-F550 HydrophobicContact CD1-CD1 4.11Å; D414-F550 WeakPolarHBondContact O-CA 3.14Å; E415-F550 HydrophobicContact CB-CD1 4.48Å; E415-F550 HydrophobicContact CB-CD2 3.9Å; E415-F550 HydrophobicContact CB-CE1 4.39Å; E415-F550 HydrophobicContact CB-CE2 3.74Å; E415-F550 HydrophobicContact CB-CG 4.25Å; E415-F550 HydrophobicContact CB-CZ 4.01Å; E415-F550 WeakPolarHBondContact OE2-CZ 3.32Å; V462-F550 WeakPolarHBondContact CA-O 3.4Å; L463-F550 HydrophobicContact CB-CB 4.2Å; L463-F550 PolarHBondContact N-O 3.19Å; L463-F550 PolarHBondContact O-N 3.09Å; R548-F550 HydrophobicContact CB-CD2 4.4Å; R548-F550 HydrophobicContact CB-CE2 4.1Å
551	S	93.2	Very high	92	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.1	174.8	-163.4	0	0	0	0	112.2	L413 D414 S461 T553	L413-S551 WeakPolarHBondContact CA-O 3.35Å; L413-S551 WeakPolarHBondContact CB-O 3.45Å; D414-S551 PolarHBondContact N-O 2.53Å; D414-S551 PolarHBondContact O-N 2.78Å; S461-S551 WeakPolarHBondContact O-CA 3.35Å; S461-S551 PolarHBondContact O-OG 2.73Å; S551-T553 VanDerWaalsContact C-N 3.28Å
552	Q	88.3	Confident	91.9	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.093	16%	0.156	C	C	.	.	S	Bend	trans	-75.1	-23.2	174.5	-60.2	-152.8	67.7	0	0	112.6	L413 D452	L413-Q552 HydrophobicContact CD2-CB 4.43Å; L413-Q552 HydrophobicContact CD2-CG 3.91Å; D452-Q552 PolarHBondContact OD2-NE2 3.19Å
553	T	88.2	Confident	91.8	Very high	13 Å²	13	28.7 Å²	28.7	8%	0.08	15%	0.151	C	C	.	.	S	Bend	trans	-114.9	172	-177.8	60	0	0	0	0	110.7	D414 D450 P451 S551	D414-T553 VanDerWaalsContact CB-O 3.29Å; D414-T553 WeakPolarHBondContact CB-O 3.42Å; D450-T553 HydrophobicContact CB-CG2 3.88Å; D450-T553 WeakPolarHBondContact O-CB 3.48Å; D450-T553 WeakPolarHBondContact O-CG2 3.33Å; D450-T553 PolarHBondContact O-OG1 2.9Å; P451-T553 VanDerWaalsContact O-CG2 3.3Å; P451-T553 WeakPolarHBondContact O-CG2 3.4Å; S551-T553 VanDerWaalsContact C-N 3.28Å
554	S	87.7	Confident	91.9	Very high	31 Å²	31	31.7 Å²	31.7	22%	0.217	17%	0.167	C	C	.	.			trans	-62.6	137	-176.1	-74.3	0	0	0	0	112.7	P41 D414	P41-S554 WeakPolarHBondContact CG-OG 3.41Å; D414-S554 WeakPolarHBondContact OD2-CA 3.48Å
555	I	89.8	Confident	92	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.062	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.8	174.5	-55.8	170.2	0	0	0	108.3	D414 A416 I446 T447 V448 V549	D414-I555 PolarHBondContact OD2-N 3.42Å; A416-I555 HydrophobicContact CB-CG2 3.96Å; I446-I555 HydrophobicContact CB-CG2 4.15Å; I446-I555 HydrophobicContact CG2-CG2 4.28Å; T447-I555 WeakPolarHBondContact O-CA 3.43Å; V448-I555 HydrophobicContact CG1-CG1 4.26Å; V549-I555 HydrophobicContact CB-CD1 4.44Å; V549-I555 HydrophobicContact CG1-CD1 4Å; V549-I555 WeakPolarHBondContact O-CD1 3.36Å
556	T	90.4	Very high	92.1	Very high	70 Å²	70	33.1 Å²	33.1	43%	0.429	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.5	163.1	-62.9	0	0	0	0	109.3	I446 T447 E449	I446-T556 CarbonylContact C-O 3.45Å; I446-T556 WeakPolarHBondContact CA-O 3.43Å; T447-T556 PolarHBondContact N-O 2.93Å; T447-T556 PolarHBondContact O-N 3.45Å; E449-T556 PolarHBondContact OE1-OG1 3.3Å
557	E	88.9	Confident	92.1	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.145	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.3	-171.7	84.3	-78.7	-170.2	0	0	114	T66 A416 F418 R445	T66-E557 WeakPolarHBondContact CB-OE1 3.38Å; T66-E557 HydrophobicContact CG2-CG 4.07Å; T66-E557 PolarHBondContact OG1-OE1 3.34Å; A416-E557 HydrophobicContact CB-CB 3.77Å; A416-E557 HydrophobicContact CB-CG 4.07Å; F418-E557 HydrophobicContact CE1-CB 3.94Å; F418-E557 HydrophobicContact CE1-CG 3.99Å; F418-E557 HydrophobicContact CE2-CB 4.41Å; F418-E557 HydrophobicContact CZ-CB 3.56Å; F418-E557 HydrophobicContact CZ-CG 4.07Å; R445-E557 CarbonylContact O-C 3.57Å; R445-E557 WeakPolarHBondContact O-CA 3.46Å
558	Q	91.6	Very high	92	Very high	72 Å²	72	41 Å²	41	34%	0.336	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	130.4	175.9	178.9	-179.4	8	0	0	110.5	R445 L560	R445-Q558 HydrophobicContact CB-CB 4.32Å; R445-Q558 PolarHBondContact N-O 2.84Å; R445-Q558 PolarHBondContact O-N 3.04Å; Q558-L560 HydrophobicContact CG-CD2 4.36Å
559	E	93	Very high	92	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125	163.8	-178.7	173.3	-176.6	0	0	108.7	F444	F444-E559 HydrophobicContact CD1-CB 4.01Å; F444-E559 HydrophobicContact CD1-CG 4.04Å; F444-E559 HydrophobicContact CE1-CB 4.03Å; F444-E559 HydrophobicContact CE1-CG 3.68Å
560	L	95.2	Very high	91.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.9	176.1	-57.2	174.2	0	0	0	108.5	Q443 R445 L493 L496 V531 Q558	Q443-L560 HydrophobicContact CB-CB 4.13Å; Q443-L560 HydrophobicContact CB-CD1 4.1Å; Q443-L560 WeakPolarHBondContact O-CB 3.26Å; Q443-L560 PolarHBondContact O-N 3.24Å; R445-L560 HydrophobicContact CB-CD1 4.13Å; R445-L560 HydrophobicContact CB-CD2 3.98Å; R445-L560 HydrophobicContact CB-CG 4.03Å; L493-L560 HydrophobicContact CD2-CD1 3.75Å; L493-L560 HydrophobicContact CG-CD1 4.36Å; L496-L560 HydrophobicContact CD2-CB 4.08Å; L496-L560 VanDerWaalsContact CD2-O 3.24Å; L496-L560 WeakPolarHBondContact CD2-O 3.43Å; V531-L560 HydrophobicContact CG1-CD1 4.12Å; V531-L560 HydrophobicContact CG2-CD1 3.97Å; Q558-L560 HydrophobicContact CG-CD2 4.36Å
561	D	92.7	Very high	91.9	Very high	43 Å²	43	49.7 Å²	49.7	23%	0.23	27%	0.269	C	S	.	.			trans	-143.6	169.4	171.2	-159.8	-0.8	0	0	0	107.8	T495 S695 N696	T495-D561 WeakPolarHBondContact CA-O 3.34Å; D561-S695 WeakPolarHBondContact OD2-CB 3.47Å; D561-N696 PolarHBondContact OD1-N 2.81Å; D561-N696 PolarHBondContact OD1-ND2 2.84Å; D561-N696 PolarHBondContact OD2-N 3.23Å
562	E	91.2	Very high	91.9	Very high	25 Å²	25	54.3 Å²	54.3	12%	0.117	29%	0.294	C	S	.	.			trans	-77.1	138.2	171.9	-64.9	-66	177.3	0	0	110.7	L496 V694 S695	L496-E562 HydrophobicContact CD1-CG 3.92Å; L496-E562 HydrophobicContact CG-CG 4.25Å; E562-V694 WeakPolarHBondContact CB-O 3.22Å; E562-S695 WeakPolarHBondContact O-CA 3.23Å; E562-S695 VanDerWaalsContact O-CB 3.24Å; E562-S695 WeakPolarHBondContact O-CB 3.37Å
563	D	89.7	Confident	92.2	Very high	92 Å²	92	53.5 Å²	53.5	49%	0.492	29%	0.29	S	S	.	.			trans	-71.7	139.4	165.7	-74.9	-39.2	0	0	0	109.3	T565 H693	D563-T565 HydrophobicContact CB-CG2 3.97Å; D563-T565 PolarHBondContact O-N 3.39Å; D563-H693 CarbonylContact O-C 3.56Å
564	N	93.3	Very high	92.5	Very high	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.299	S	S	.	.			trans	-71	101.4	172.6	-64.7	-48.6	0	0	0	108.8	H693 V694 S695 L698 F730	N564-H693 CarbonylContact C-O 3.55Å; N564-H693 VanDerWaalsContact CA-O 3.28Å; N564-H693 WeakPolarHBondContact CA-O 3.2Å; N564-V694 WeakPolarHBondContact OD1-CA 3.47Å; N564-S695 PolarHBondContact OD1-N 3.15Å; N564-L698 WeakPolarHBondContact OD1-CD2 3.14Å; N564-F730 VanDerWaalsContact C-CE1 3.5Å; N564-F730 HydrophobicContact CB-CE1 4.07Å; N564-F730 HydrophobicContact CB-CZ 4.09Å
565	T	93.3	Very high	92.8	Very high	51 Å²	51	60.2 Å²	60.2	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.4	-179	60.9	0	0	0	0	111.2	D563 H693	D563-T565 HydrophobicContact CB-CG2 3.97Å; D563-T565 PolarHBondContact O-N 3.39Å; T565-H693 PolarHBondContact N-O 2.75Å; T565-H693 PolarHBondContact O-N 2.71Å
566	N	94.8	Very high	93	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.8	169.5	178.6	12.8	0	0	0	107.9	G568 G691 Y692 F730	N566-G568 PolarHBondContact OD1-N 3.48Å; N566-G691 CarbonylContact C-O 3.56Å; N566-G691 WeakPolarHBondContact CA-O 3.27Å; N566-Y692 HydrophobicContact CB-CD1 4.1Å; N566-Y692 HydrophobicContact CB-CE1 4.06Å; N566-F730 HydrophobicContact CB-CB 3.72Å; N566-F730 HydrophobicContact CB-CD1 3.92Å; N566-F730 HydrophobicContact CB-CD2 3.96Å; N566-F730 HydrophobicContact CB-CG 3.61Å
567	Q	93.7	Very high	93.1	Very high	141 Å²	141	58.2 Å²	58.2	66%	0.659	31%	0.31	S	S	*	.			trans	-98.8	0.9	178.1	-60.7	-176.9	8.6	0	0	112.4	G691 H693	Q567-G691 PolarHBondContact N-O 3.27Å; Q567-H693 PolarHBondContact NE2-CD2 2.75Å; Q567-H693 PolarHBondContact NE2-NE2 3.05Å
568	G	93.3	Very high	93.3	Very high	28 Å²	28	63.1 Å²	63.1	29%	0.289	33%	0.331	S	S	.	.			trans	71.7	176.7	-172.4	0	0	0	0	0	112.7	N566 G691	N566-G568 PolarHBondContact OD1-N 3.48Å; G568-G691 WeakPolarHBondContact O-CA 3.3Å
569	L	95.1	Very high	93.3	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.079	34%	0.343	C	S	.	.	S	Bend	trans	-62	132.6	174.8	-72.2	173.6	0	0	0	110.3	V573 I574 I666	L569-V573 HydrophobicContact CD2-CG1 4.42Å; L569-I574 HydrophobicContact CB-CD1 4.37Å; L569-I574 HydrophobicContact CB-CG1 4.14Å; L569-I574 WeakPolarHBondContact O-CD1 3.36Å; L569-I666 HydrophobicContact CD2-CD1 3.75Å
570	P	93.2	Very high	93.1	Very high	42 Å²	42	63.6 Å²	63.6	27%	0.273	34%	0.336	S	S	.	.			trans	-59.4	151.4	175.5	-28	37.3	0	0	0	113.7	D572 V573 I574 D689	P570-D572 VanDerWaalsContact C-N 3.27Å; P570-D572 WeakPolarHBondContact CB-OD1 3.36Å; P570-D572 PolarHBondContact O-N 2.9Å; P570-V573 HydrophobicContact CB-CG2 4.35Å; P570-V573 HydrophobicContact CG-CG2 4.48Å; P570-V573 PolarHBondContact O-N 3.42Å; P570-V573 VanDerWaalsContact O-N 3.12Å; P570-I574 WeakPolarHBondContact O-CG1 3.48Å; P570-I574 PolarHBondContact O-N 3.44Å; P570-D689 WeakPolarHBondContact CD-O 3.37Å; P570-D689 WeakPolarHBondContact CG-O 3.49Å
571	D	93.9	Very high	92.8	Very high	127 Å²	127	65.3 Å²	65.3	68%	0.679	35%	0.345	S	S	*	.	H	α-helix	trans	-58	-36.9	-179.3	-73.3	-32.9	0	0	0	112.8	V573 I574 E575	D571-V573 VanDerWaalsContact C-N 3.35Å; D571-V573 PolarHBondContact O-N 3.49Å; D571-I574 PolarHBondContact O-N 2.95Å; D571-E575 WeakPolarHBondContact O-CB 3.35Å; D571-E575 WeakPolarHBondContact O-CG 3.38Å; D571-E575 PolarHBondContact O-N 3.07Å
572	D	93.3	Very high	92.6	Very high	98 Å²	98	68.7 Å²	68.7	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-66.1	-36.4	178.7	62.3	-55.8	0	0	0	112.3	P570 A576	P570-D572 VanDerWaalsContact C-N 3.27Å; P570-D572 WeakPolarHBondContact CB-OD1 3.36Å; P570-D572 PolarHBondContact O-N 2.9Å; D572-A576 WeakPolarHBondContact O-CB 3.5Å; D572-A576 PolarHBondContact O-N 2.54Å
573	V	94.5	Very high	92.4	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.012	40%	0.396	C	S	.	.	H	α-helix	trans	-66.7	-46.5	172.7	178.8	0	0	0	0	109.6	L569 P570 D571 E575 A576 L577 I666	L569-V573 HydrophobicContact CD2-CG1 4.42Å; P570-V573 HydrophobicContact CB-CG2 4.35Å; P570-V573 HydrophobicContact CG-CG2 4.48Å; P570-V573 PolarHBondContact O-N 3.42Å; P570-V573 VanDerWaalsContact O-N 3.12Å; D571-V573 VanDerWaalsContact C-N 3.35Å; D571-V573 PolarHBondContact O-N 3.49Å; V573-E575 VanDerWaalsContact C-N 3.3Å; V573-E575 PolarHBondContact O-N 3.33Å; V573-A576 WeakPolarHBondContact O-CB 3.46Å; V573-A576 PolarHBondContact O-N 2.76Å; V573-A576 VanDerWaalsContact O-N 3.17Å; V573-L577 HydrophobicContact CG1-CG 4.49Å; V573-L577 WeakPolarHBondContact O-CG 3.4Å; V573-L577 PolarHBondContact O-N 2.72Å; V573-I666 HydrophobicContact CG1-CG1 4.48Å; V573-I666 HydrophobicContact CG2-CD1 4.36Å; V573-I666 HydrophobicContact CG2-CG1 4.21Å
574	I	94.3	Very high	92.3	Very high	53 Å²	53	74 Å²	74	27%	0.272	40%	0.395	S	S	.	.	H	α-helix	trans	-59.8	-41.3	178.4	-66	170.6	0	0	0	111.3	L569 P570 D571 L577 K578	L569-I574 HydrophobicContact CB-CD1 4.37Å; L569-I574 HydrophobicContact CB-CG1 4.14Å; L569-I574 WeakPolarHBondContact O-CD1 3.36Å; P570-I574 WeakPolarHBondContact O-CG1 3.48Å; P570-I574 PolarHBondContact O-N 3.44Å; D571-I574 PolarHBondContact O-N 2.95Å; I574-L577 PolarHBondContact O-N 3.22Å; I574-K578 HydrophobicContact CG2-CD 4.31Å; I574-K578 WeakPolarHBondContact O-CG 3.32Å; I574-K578 PolarHBondContact O-N 3Å; I574-K578 VanDerWaalsContact O-N 3.09Å
575	E	93.8	Very high	92	Very high	133 Å²	133	74 Å²	74	62%	0.621	40%	0.396	S	S	*	.	H	α-helix	trans	-64.4	-41.9	175.7	-76	-177.9	179.4	0	0	112.3	D571 V573 L577 K578 L579	D571-E575 WeakPolarHBondContact O-CB 3.35Å; D571-E575 WeakPolarHBondContact O-CG 3.38Å; D571-E575 PolarHBondContact O-N 3.07Å; V573-E575 VanDerWaalsContact C-N 3.3Å; V573-E575 PolarHBondContact O-N 3.33Å; E575-L577 VanDerWaalsContact C-N 3.35Å; E575-L577 PolarHBondContact O-N 3.03Å; E575-K578 PolarHBondContact O-N 2.9Å; E575-L579 PolarHBondContact O-N 2.79Å; E575-L579 VanDerWaalsContact O-N 3.07Å
576	A	93.2	Very high	91.9	Very high	32 Å²	32	72.5 Å²	72.5	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.4	0	0	0	0	0	111.9	D572 V573 K578 L579 E580	D572-A576 WeakPolarHBondContact O-CB 3.5Å; D572-A576 PolarHBondContact O-N 2.54Å; V573-A576 WeakPolarHBondContact O-CB 3.46Å; V573-A576 PolarHBondContact O-N 2.76Å; V573-A576 VanDerWaalsContact O-N 3.17Å; A576-K578 PolarHBondContact O-N 2.84Å; A576-L579 PolarHBondContact O-N 3.28Å; A576-E580 PolarHBondContact O-N 2.93Å
577	L	93.4	Very high	91.8	Very high	7 Å²	7	71.6 Å²	71.6	4%	0.037	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.6	-65.1	-177.9	0	0	0	112.7	V573 I574 E575 L579 E580 D581 I658 K661 H665	V573-L577 HydrophobicContact CG1-CG 4.49Å; V573-L577 WeakPolarHBondContact O-CG 3.4Å; V573-L577 PolarHBondContact O-N 2.72Å; I574-L577 PolarHBondContact O-N 3.22Å; E575-L577 VanDerWaalsContact C-N 3.35Å; E575-L577 PolarHBondContact O-N 3.03Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-E580 PolarHBondContact O-N 3.11Å; L577-D581 WeakPolarHBondContact O-CB 3.09Å; L577-D581 PolarHBondContact O-N 2.88Å; L577-I658 HydrophobicContact CD1-CG2 4.47Å; L577-K661 HydrophobicContact CD1-CB 4.13Å; L577-K661 HydrophobicContact CD2-CB 3.81Å; L577-H665 HydrophobicContact CD2-CB 4.23Å
578	K	92.2	Very high	91.8	Very high	135 Å²	135	70 Å²	70	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-64.5	-38.3	176.2	-74.1	170.5	-178.5	168.3	0	111.8	I574 E575 A576 T582	I574-K578 HydrophobicContact CG2-CD 4.31Å; I574-K578 WeakPolarHBondContact O-CG 3.32Å; I574-K578 PolarHBondContact O-N 3Å; I574-K578 VanDerWaalsContact O-N 3.09Å; E575-K578 PolarHBondContact O-N 2.9Å; A576-K578 PolarHBondContact O-N 2.84Å; K578-T582 WeakPolarHBondContact O-CB 3.4Å; K578-T582 PolarHBondContact O-N 2.91Å; K578-T582 PolarHBondContact O-OG1 3.22Å
579	L	91.8	Very high	91.8	Very high	114 Å²	114	73.7 Å²	73.7	60%	0.597	38%	0.382	S	S	*	.	H	α-helix	trans	-67.7	-43.5	177.2	-177.1	65.6	0	0	0	111.3	E575 A576 L577 T582 L583	E575-L579 PolarHBondContact O-N 2.79Å; E575-L579 VanDerWaalsContact O-N 3.07Å; A576-L579 PolarHBondContact O-N 3.28Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L579-T582 PolarHBondContact O-N 2.89Å; L579-L583 WeakPolarHBondContact O-CG 3.42Å; L579-L583 PolarHBondContact O-N 2.92Å
580	E	89.2	Confident	91.8	Very high	71 Å²	71	73.1 Å²	73.1	33%	0.332	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-46.1	175.4	-176.8	172.9	-159.2	0	0	111.4	A576 L577 T582 L583 L584	A576-E580 PolarHBondContact O-N 2.93Å; L577-E580 PolarHBondContact O-N 3.11Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.59Å; E580-L583 WeakPolarHBondContact O-CB 3.42Å; E580-L583 PolarHBondContact O-N 3.17Å; E580-L584 HydrophobicContact CG-CD1 3.83Å; E580-L584 PolarHBondContact O-N 2.95Å
581	D	89.2	Confident	91.9	Very high	38 Å²	38	74.5 Å²	74.5	20%	0.203	38%	0.382	C	S	.	.	H	α-helix	trans	-63.1	-38.2	177.2	-175.1	59	0	0	0	112.4	L577 L583 L584 D585 E586 D587	L577-D581 WeakPolarHBondContact O-CB 3.09Å; L577-D581 PolarHBondContact O-N 2.88Å; D581-L583 PolarHBondContact O-N 2.99Å; D581-L583 VanDerWaalsContact O-N 3.1Å; D581-L584 PolarHBondContact O-N 2.94Å; D581-D585 WeakPolarHBondContact O-CA 3.41Å; D581-D585 PolarHBondContact O-N 2.82Å; D581-E586 PolarHBondContact OD1-N 2.92Å; D581-D587 VanDerWaalsContact CG-CG 3.41Å; D581-D587 WeakPolarHBondContact OD1-CB 3.48Å; D581-D587 PolarHBondContact OD1-N 3.02Å
582	T	88.4	Confident	92	Very high	114 Å²	114	73.4 Å²	73.4	70%	0.699	37%	0.373	S	S	*	.	H	α-helix	trans	-59.9	-24.6	174	-56.1	0	0	0	0	112.7	K578 L579 E580	K578-T582 WeakPolarHBondContact O-CB 3.4Å; K578-T582 PolarHBondContact O-N 2.91Å; K578-T582 PolarHBondContact O-OG1 3.22Å; L579-T582 PolarHBondContact O-N 2.89Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.59Å
583	L	87.1	Confident	92.1	Very high	138 Å²	138	72.9 Å²	72.9	72%	0.723	37%	0.366	S	S	*	.	H	α-helix	trans	-93	-33.5	-179.4	-65.9	170.1	0	0	0	113.1	L579 E580 D581	L579-L583 WeakPolarHBondContact O-CG 3.42Å; L579-L583 PolarHBondContact O-N 2.92Å; E580-L583 WeakPolarHBondContact O-CB 3.42Å; E580-L583 PolarHBondContact O-N 3.17Å; D581-L583 PolarHBondContact O-N 2.99Å; D581-L583 VanDerWaalsContact O-N 3.1Å
584	L	86.5	Confident	92.2	Very high	90 Å²	90	72.8 Å²	72.8	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-105	-20.5	-172.4	-61.8	179.8	0	0	0	114	E580 D581 E586	E580-L584 HydrophobicContact CG-CD1 3.83Å; E580-L584 PolarHBondContact O-N 2.95Å; D581-L584 PolarHBondContact O-N 2.94Å; L584-E586 HydrophobicContact CB-CB 4.38Å; L584-E586 PolarHBondContact O-N 2.9Å
585	D	88.8	Confident	92.3	Very high	80 Å²	80	72.8 Å²	72.8	43%	0.428	37%	0.366	S	S	.	.			trans	54.6	27	-174.6	-158.3	32.7	0	0	0	113.3	D581 D587 Q588 E589	D581-D585 WeakPolarHBondContact O-CA 3.41Å; D581-D585 PolarHBondContact O-N 2.82Å; D585-D587 VanDerWaalsContact C-N 3.34Å; D585-D587 PolarHBondContact O-N 2.77Å; D585-Q588 PolarHBondContact O-N 3.47Å; D585-E589 PolarHBondContact O-N 2.73Å
586	E	90.4	Very high	92.4	Very high	18 Å²	18	70.5 Å²	70.5	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-32.5	-171.4	-168.2	178.5	-165.7	0	0	111.9	D581 L584 Q588 E589 I590 T618 W657	D581-E586 PolarHBondContact OD1-N 2.92Å; L584-E586 HydrophobicContact CB-CB 4.38Å; L584-E586 PolarHBondContact O-N 2.9Å; E586-Q588 VanDerWaalsContact C-N 3.31Å; E586-Q588 PolarHBondContact O-N 3.22Å; E586-E589 PolarHBondContact O-N 3.33Å; E586-I590 WeakPolarHBondContact O-CB 3.43Å; E586-I590 PolarHBondContact O-N 3.36Å; E586-T618 VanDerWaalsContact CD-CG2 3.43Å; E586-T618 VanDerWaalsContact CD-OG1 3.24Å; E586-T618 WeakPolarHBondContact OE1-CB 3.5Å; E586-T618 VanDerWaalsContact OE1-CG2 3.22Å; E586-T618 WeakPolarHBondContact OE1-CG2 3.19Å; E586-T618 PolarHBondContact OE1-N 2.93Å; E586-T618 PolarHBondContact OE1-OG1 2.97Å; E586-T618 VanDerWaalsContact OE1-OG1 3.09Å; E586-T618 WeakPolarHBondContact OE2-CB 3.45Å; E586-T618 WeakPolarHBondContact OE2-CG2 3.09Å; E586-T618 PolarHBondContact OE2-OG1 3.38Å; E586-W657 HydrophobicContact CG-CH2 4.37Å; E586-W657 HydrophobicContact CG-CZ2 3.89Å
587	D	93	Very high	92.5	Very high	27 Å²	27	71.2 Å²	71.2	14%	0.144	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-39.4	-179.7	-69	-1.1	0	0	0	111.1	D581 D585 I590 E591 M654 W657 K661	D581-D587 VanDerWaalsContact CG-CG 3.41Å; D581-D587 WeakPolarHBondContact OD1-CB 3.48Å; D581-D587 PolarHBondContact OD1-N 3.02Å; D585-D587 VanDerWaalsContact C-N 3.34Å; D585-D587 PolarHBondContact O-N 2.77Å; D587-I590 WeakPolarHBondContact O-CG2 3.25Å; D587-E591 WeakPolarHBondContact O-CB 3.36Å; D587-E591 PolarHBondContact O-N 3.2Å; D587-E591 VanDerWaalsContact O-N 3.14Å; D587-M654 HydrophobicContact CB-CE 4.24Å; D587-W657 PolarHBondContact OD1-NE1 3.06Å; D587-K661 WeakPolarHBondContact OD1-CE 3.49Å; D587-K661 IonicContact OD1-NZ 2.93Å; D587-K661 PolarHBondContact OD1-NZ 3.16Å; D587-K661 IonicContact OD2-NZ 3.22Å; D587-K661 PolarHBondContact OD2-NZ 2.71Å
588	Q	93.1	Very high	92.5	Very high	109 Å²	109	74.8 Å²	74.8	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-70	-42.5	175.2	-173.9	170.7	-9.3	0	0	111.2	D585 E586 I590 E591 Q592	D585-Q588 PolarHBondContact O-N 3.47Å; E586-Q588 VanDerWaalsContact C-N 3.31Å; E586-Q588 PolarHBondContact O-N 3.22Å; Q588-I590 PolarHBondContact O-N 3.49Å; Q588-E591 PolarHBondContact O-N 2.75Å; Q588-Q592 WeakPolarHBondContact O-CG 3.44Å; Q588-Q592 PolarHBondContact O-N 2.86Å; Q588-Q592 VanDerWaalsContact O-N 3.08Å
589	E	93.4	Very high	92.6	Very high	104 Å²	104	70.9 Å²	70.9	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-44	178.4	-72.3	-166.3	174.3	0	0	112.6	D585 E586 Q592 K593	D585-E589 PolarHBondContact O-N 2.73Å; E586-E589 PolarHBondContact O-N 3.33Å; E589-Q592 PolarHBondContact O-N 3.49Å; E589-K593 WeakPolarHBondContact O-CG 3.18Å; E589-K593 PolarHBondContact O-N 3.25Å; E589-K593 IonicContact OE2-NZ 3.74Å
590	I	94.6	Very high	92.5	Very high	4 Å²	4	71 Å²	71	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-72.3	-34.3	-178	-154.1	170.5	0	0	0	111.8	E586 D587 Q588 K593 F594 F653 M654 W657	E586-I590 WeakPolarHBondContact O-CB 3.43Å; E586-I590 PolarHBondContact O-N 3.36Å; D587-I590 WeakPolarHBondContact O-CG2 3.25Å; Q588-I590 PolarHBondContact O-N 3.49Å; I590-K593 PolarHBondContact O-N 3.32Å; I590-F594 PolarHBondContact O-N 2.99Å; I590-F653 HydrophobicContact CD1-CE1 4.34Å; I590-F653 HydrophobicContact CD1-CZ 3.72Å; I590-F653 HydrophobicContact CG1-CE1 4.06Å; I590-F653 HydrophobicContact CG1-CZ 3.82Å; I590-F653 HydrophobicContact CG2-CE1 4.22Å; I590-M654 HydrophobicContact CG2-CE 4.48Å; I590-M654 HydrophobicContact CG2-SD 4.43Å; I590-W657 HydrophobicContact CD1-CD2 3.78Å; I590-W657 HydrophobicContact CD1-CE3 3.43Å; I590-W657 VanDerWaalsContact CD1-CE3 3.43Å; I590-W657 HydrophobicContact CD1-CH2 3.62Å; I590-W657 HydrophobicContact CD1-CZ2 3.93Å; I590-W657 HydrophobicContact CD1-CZ3 3.33Å; I590-W657 HydrophobicContact CG2-CD2 4.21Å; I590-W657 HydrophobicContact CG2-CG 4.36Å; I590-W657 HydrophobicContact CG2-CZ2 4.36Å
591	E	95.4	Very high	92.6	Very high	70 Å²	70	76.6 Å²	76.6	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-60	-45.7	170.9	175.7	173.6	-176.1	0	0	111	D587 Q588 K593 F594 L595 L650 M654	D587-E591 WeakPolarHBondContact O-CB 3.36Å; D587-E591 PolarHBondContact O-N 3.2Å; D587-E591 VanDerWaalsContact O-N 3.14Å; Q588-E591 PolarHBondContact O-N 2.75Å; E591-K593 VanDerWaalsContact C-N 3.35Å; E591-K593 PolarHBondContact O-N 3.26Å; E591-F594 WeakPolarHBondContact O-CB 3.19Å; E591-F594 PolarHBondContact O-N 3.16Å; E591-L595 HydrophobicContact CG-CD1 4.3Å; E591-L595 WeakPolarHBondContact O-CG 3.02Å; E591-L595 PolarHBondContact O-N 3.14Å; E591-L650 HydrophobicContact CG-CD1 4.05Å; E591-L650 HydrophobicContact CG-CD2 4.22Å; E591-M654 HydrophobicContact CB-SD 4.29Å
592	Q	95.8	Very high	92.8	Very high	104 Å²	104	78 Å²	78	49%	0.486	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-39.7	177	-66.3	-50.8	-49.6	0	0	112.2	Q588 E589 L595 A596	Q588-Q592 WeakPolarHBondContact O-CG 3.44Å; Q588-Q592 PolarHBondContact O-N 2.86Å; Q588-Q592 VanDerWaalsContact O-N 3.08Å; E589-Q592 PolarHBondContact O-N 3.49Å; Q592-L595 PolarHBondContact O-N 3.31Å; Q592-A596 WeakPolarHBondContact O-CB 3.04Å; Q592-A596 PolarHBondContact O-N 3.39Å
593	K	95.7	Very high	93	Very high	88 Å²	88	76.2 Å²	76.2	38%	0.383	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-41.8	174.5	-70.9	170	-175	163.6	0	111.3	E589 I590 E591 A596 I597 L613	E589-K593 WeakPolarHBondContact O-CG 3.18Å; E589-K593 PolarHBondContact O-N 3.25Å; E589-K593 IonicContact OE2-NZ 3.74Å; I590-K593 PolarHBondContact O-N 3.32Å; E591-K593 VanDerWaalsContact C-N 3.35Å; E591-K593 PolarHBondContact O-N 3.26Å; K593-A596 PolarHBondContact O-N 3.08Å; K593-I597 WeakPolarHBondContact O-CG1 3.41Å; K593-I597 PolarHBondContact O-N 3.1Å; K593-L613 HydrophobicContact CB-CD2 3.58Å
594	F	97	Very high	93.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-50.7	174.2	-178.2	-76	0	0	0	111.2	I590 E591 A596 I597 R598 I605 L613 V648 L650 F653	I590-F594 PolarHBondContact O-N 2.99Å; E591-F594 WeakPolarHBondContact O-CB 3.19Å; E591-F594 PolarHBondContact O-N 3.16Å; F594-A596 PolarHBondContact O-N 3.38Å; F594-I597 PolarHBondContact O-N 2.84Å; F594-I597 VanDerWaalsContact O-N 3.14Å; F594-R598 HydrophobicContact CD1-CB 4.31Å; F594-R598 HydrophobicContact CE1-CB 3.98Å; F594-R598 WeakPolarHBondContact O-CB 3.13Å; F594-R598 PolarHBondContact O-N 3.34Å; F594-I605 HydrophobicContact CD2-CD1 3.63Å; F594-I605 HydrophobicContact CD2-CG1 4.2Å; F594-I605 HydrophobicContact CD2-CG2 4.31Å; F594-I605 HydrophobicContact CE2-CB 4.31Å; F594-I605 HydrophobicContact CE2-CD1 3.41Å; F594-I605 VanDerWaalsContact CE2-CD1 3.41Å; F594-I605 HydrophobicContact CE2-CG1 3.5Å; F594-I605 VanDerWaalsContact CE2-CG1 3.5Å; F594-I605 HydrophobicContact CE2-CG2 4Å; F594-I605 HydrophobicContact CZ-CD1 4.45Å; F594-I605 HydrophobicContact CZ-CG1 4.12Å; F594-I605 HydrophobicContact CZ-CG2 4.18Å; F594-L613 HydrophobicContact CB-CD1 4.14Å; F594-L613 HydrophobicContact CD2-CD1 3.96Å; F594-L613 HydrophobicContact CG-CD1 4.48Å; F594-V648 WeakPolarHBondContact CZ-O 3.49Å; F594-L650 HydrophobicContact CB-CD1 4.07Å; F594-L650 HydrophobicContact CD1-CB 4.07Å; F594-L650 HydrophobicContact CD1-CD1 3.52Å; F594-L650 HydrophobicContact CD1-CG 4.32Å; F594-L650 HydrophobicContact CD2-CD1 4.34Å; F594-L650 HydrophobicContact CE1-CB 3.69Å; F594-L650 HydrophobicContact CE1-CD1 4.03Å; F594-L650 HydrophobicContact CE1-CG 4.44Å; F594-L650 HydrophobicContact CG-CD1 3.72Å; F594-L650 HydrophobicContact CZ-CB 4.17Å; F594-F653 HydrophobicContact CB-CD1 4.29Å; F594-F653 HydrophobicContact CB-CE1 4.26Å; F594-F653 HydrophobicContact CD2-CB 3.87Å; F594-F653 AromaticContact CD2-CD1 3.47Å; F594-F653 HydrophobicContact CD2-CD1 3.47Å; F594-F653 VanDerWaalsContact CD2-CD1 3.47Å; F594-F653 HydrophobicContact CD2-CD2 4.2Å; F594-F653 HydrophobicContact CD2-CE1 4.03Å; F594-F653 AromaticContact CD2-CG 3.55Å; F594-F653 HydrophobicContact CD2-CG 3.55Å; F594-F653 HydrophobicContact CE2-CB 3.56Å; F594-F653 HydrophobicContact CE2-CD1 4.09Å; F594-F653 HydrophobicContact CE2-CD2 4.41Å; F594-F653 AromaticContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CG-CD1 4.13Å; F594-F653 HydrophobicContact CZ-CB 4.44Å
595	L	96.1	Very high	93.9	Very high	53 Å²	53	65.7 Å²	65.7	28%	0.277	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-31.9	179.8	-71.2	174.8	0	0	0	112.5	E591 Q592 R598 L650	E591-L595 HydrophobicContact CG-CD1 4.3Å; E591-L595 WeakPolarHBondContact O-CG 3.02Å; E591-L595 PolarHBondContact O-N 3.14Å; Q592-L595 PolarHBondContact O-N 3.31Å; L595-R598 VanDerWaalsContact CD2-CZ 3.41Å; L595-L650 HydrophobicContact CD2-CD2 4.03Å; L595-L650 HydrophobicContact CG-CD2 4.48Å
596	A	95.3	Very high	94.2	Very high	85 Å²	85	64.8 Å²	64.8	70%	0.702	34%	0.335	S	S	*	.	H	α-helix	trans	-74.4	-32.3	178	0	0	0	0	0	113.5	Q592 K593 F594	Q592-A596 WeakPolarHBondContact O-CB 3.04Å; Q592-A596 PolarHBondContact O-N 3.39Å; K593-A596 PolarHBondContact O-N 3.08Å; F594-A596 PolarHBondContact O-N 3.38Å
597	I	95.1	Very high	94.4	Very high	46 Å²	46	65 Å²	65	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-103.3	-14.2	-174.3	72.8	166.5	0	0	0	114.5	K593 F594 I605 K609 L613	K593-I597 WeakPolarHBondContact O-CG1 3.41Å; K593-I597 PolarHBondContact O-N 3.1Å; F594-I597 PolarHBondContact O-N 2.84Å; F594-I597 VanDerWaalsContact O-N 3.14Å; I597-I605 HydrophobicContact CD1-CG2 4.36Å; I597-I605 HydrophobicContact CG1-CG2 4.07Å; I597-K609 HydrophobicContact CD1-CB 3.88Å; I597-K609 HydrophobicContact CD1-CG 4.4Å; I597-K609 WeakPolarHBondContact O-CD 3.37Å; I597-K609 WeakPolarHBondContact O-CE 3.32Å; I597-K609 PolarHBondContact O-NZ 3.01Å; I597-L613 HydrophobicContact CD1-CD1 3.72Å; I597-L613 HydrophobicContact CD1-CD2 3.63Å; I597-L613 HydrophobicContact CD1-CG 3.42Å; I597-L613 VanDerWaalsContact CD1-CG 3.42Å; I597-L613 HydrophobicContact CG1-CD1 4.36Å; I597-L613 HydrophobicContact CG1-CD2 4.29Å; I597-L613 HydrophobicContact CG1-CG 4.4Å
598	R	95.1	Very high	94.5	Very high	82 Å²	82	68.1 Å²	68.1	31%	0.309	36%	0.359	S	S	.	.	S	Bend	trans	-57	151.8	-179.2	69.5	-177.3	179.7	168.3	1.3	112.8	F594 L595 P600 I605	F594-R598 HydrophobicContact CD1-CB 4.31Å; F594-R598 HydrophobicContact CE1-CB 3.98Å; F594-R598 WeakPolarHBondContact O-CB 3.13Å; F594-R598 PolarHBondContact O-N 3.34Å; L595-R598 VanDerWaalsContact CD2-CZ 3.41Å; R598-P600 WeakPolarHBondContact O-CD 2.99Å; R598-I605 HydrophobicContact CB-CG2 4.08Å
599	D	93.1	Very high	94.6	Very high	54 Å²	54	65.7 Å²	65.7	29%	0.289	35%	0.347	S	S	.	.			trans	-66.7	126	173.9	-175.1	-73.6	0	0	0	110.2	K601 T602 N603 A604	D599-K601 PolarHBondContact O-N 2.93Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 WeakPolarHBondContact OD1-CA 3.39Å; D599-K601 VanDerWaalsContact OD1-CB 3.25Å; D599-K601 WeakPolarHBondContact OD1-CB 3.47Å; D599-K601 PolarHBondContact OD1-N 3.03Å; D599-T602 WeakPolarHBondContact CB-OG1 3.49Å; D599-T602 PolarHBondContact O-N 2.9Å; D599-T602 PolarHBondContact OD1-N 3.09Å; D599-N603 VanDerWaalsContact O-CA 3.25Å; D599-N603 WeakPolarHBondContact O-CA 3.41Å; D599-N603 PolarHBondContact O-N 3.34Å; D599-A604 PolarHBondContact N-O 3.04Å
600	P	91.1	Very high	94.8	Very high	115 Å²	115	60.7 Å²	60.7	75%	0.747	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.1	-177.3	-23.9	34	0	0	0	115.2	R598	R598-P600 WeakPolarHBondContact O-CD 2.99Å
601	K	91.2	Very high	94.9	Very high	190 Å²	190	60.8 Å²	60.8	83%	0.826	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-43.5	179.9	-60.3	-179.8	178.9	176.7	0	111.9	D599	D599-K601 PolarHBondContact O-N 2.93Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 WeakPolarHBondContact OD1-CA 3.39Å; D599-K601 VanDerWaalsContact OD1-CB 3.25Å; D599-K601 WeakPolarHBondContact OD1-CB 3.47Å; D599-K601 PolarHBondContact OD1-N 3.03Å
602	T	91.6	Very high	94.8	Very high	67 Å²	67	62.5 Å²	62.5	41%	0.411	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-16.1	-178.3	65.7	0	0	0	0	113.1	D599 A604	D599-T602 WeakPolarHBondContact CB-OG1 3.49Å; D599-T602 PolarHBondContact O-N 2.9Å; D599-T602 PolarHBondContact OD1-N 3.09Å; T602-A604 PolarHBondContact O-N 3.17Å; T602-A604 PolarHBondContact OG1-N 2.97Å
603	N	94.1	Very high	94.8	Very high	77 Å²	77	58 Å²	58	41%	0.412	31%	0.313	S	S	.	.	S	Bend	trans	57.7	22.1	-169.4	-63.6	-58.1	0	0	0	114.3	D599	D599-N603 VanDerWaalsContact O-CA 3.25Å; D599-N603 WeakPolarHBondContact O-CA 3.41Å; D599-N603 PolarHBondContact O-N 3.34Å
604	A	95.4	Very high	94.8	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	30%	0.295	C	S	.	.			trans	-127.9	165.9	-174.8	0	0	0	0	0	111.9	D599 T602 H647 V648 E649	D599-A604 PolarHBondContact N-O 3.04Å; T602-A604 PolarHBondContact O-N 3.17Å; T602-A604 PolarHBondContact OG1-N 2.97Å; A604-H647 HydrophobicContact CB-CB 3.7Å; A604-V648 CarbonylContact C-O 3.47Å; A604-V648 VanDerWaalsContact CA-O 3.24Å; A604-V648 WeakPolarHBondContact CA-O 3.49Å; A604-V648 VanDerWaalsContact CB-O 3.28Å; A604-V648 WeakPolarHBondContact CB-O 3.45Å; A604-E649 HydrophobicContact CB-CG 4.29Å
605	I	96.2	Very high	94.7	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-115.5	155.6	175.4	62	175.4	0	0	0	111.1	F594 I597 R598 K609 L610 L613 H647 V648 F653	F594-I605 HydrophobicContact CD2-CD1 3.63Å; F594-I605 HydrophobicContact CD2-CG1 4.2Å; F594-I605 HydrophobicContact CD2-CG2 4.31Å; F594-I605 HydrophobicContact CE2-CB 4.31Å; F594-I605 HydrophobicContact CE2-CD1 3.41Å; F594-I605 VanDerWaalsContact CE2-CD1 3.41Å; F594-I605 HydrophobicContact CE2-CG1 3.5Å; F594-I605 VanDerWaalsContact CE2-CG1 3.5Å; F594-I605 HydrophobicContact CE2-CG2 4Å; F594-I605 HydrophobicContact CZ-CD1 4.45Å; F594-I605 HydrophobicContact CZ-CG1 4.12Å; F594-I605 HydrophobicContact CZ-CG2 4.18Å; I597-I605 HydrophobicContact CD1-CG2 4.36Å; I597-I605 HydrophobicContact CG1-CG2 4.07Å; R598-I605 HydrophobicContact CB-CG2 4.08Å; I605-K609 HydrophobicContact CB-CB 3.9Å; I605-K609 HydrophobicContact CB-CD 4.39Å; I605-K609 HydrophobicContact CG2-CB 4.15Å; I605-K609 HydrophobicContact CG2-CD 4.18Å; I605-L610 HydrophobicContact CD1-CB 4.05Å; I605-L610 HydrophobicContact CD1-CD1 4.04Å; I605-L613 HydrophobicContact CD1-CD1 3.7Å; I605-H647 CarbonylContact O-C 3.52Å; I605-H647 WeakPolarHBondContact O-CA 3.47Å; I605-H647 WeakPolarHBondContact O-CB 3.31Å; I605-V648 HydrophobicContact CG1-CB 4.21Å; I605-V648 PolarHBondContact N-O 2.95Å; I605-V648 PolarHBondContact O-N 3.27Å; I605-F653 HydrophobicContact CD1-CD2 4.38Å
606	N	94.6	Very high	94.6	Very high	62 Å²	62	59.7 Å²	59.7	33%	0.332	33%	0.326	S	S	.	.			trans	-100.6	176.4	172.3	67	18.5	0	0	0	110.9	V608 K609 L610	N606-V608 PolarHBondContact O-N 3.44Å; N606-V608 VanDerWaalsContact O-N 3.09Å; N606-V608 PolarHBondContact OD1-N 3.23Å; N606-K609 PolarHBondContact O-N 2.85Å; N606-K609 PolarHBondContact OD1-N 3.37Å; N606-L610 PolarHBondContact O-N 3.19Å
607	A	95	Very high	94.5	Very high	21 Å²	21	56.2 Å²	56.2	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-55.6	-29.8	-178.2	0	0	0	0	0	114.7	G611 C633 R634 V637	A607-G611 PolarHBondContact O-N 3.19Å; A607-C633 HydrophobicContact CB-CB 4.05Å; A607-C633 VanDerWaalsContact O-CB 3.29Å; A607-C633 WeakPolarHBondContact O-CB 3.48Å; A607-R634 HydrophobicContact CB-CG 3.98Å; A607-V637 HydrophobicContact CB-CG2 3.87Å
608	V	95.6	Very high	94.3	Very high	93 Å²	93	55.4 Å²	55.4	56%	0.564	29%	0.294	S	S	*	.	H	α-helix	trans	-70.6	-50.3	179.1	178.4	0	0	0	0	110.4	N606 L610 G611 E612	N606-V608 PolarHBondContact O-N 3.44Å; N606-V608 VanDerWaalsContact O-N 3.09Å; N606-V608 PolarHBondContact OD1-N 3.23Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 2.91Å; V608-G611 PolarHBondContact O-N 2.81Å; V608-E612 PolarHBondContact O-N 2.9Å
609	K	96.2	Very high	94.2	Very high	58 Å²	58	51.5 Å²	51.5	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-35.2	177	-74.1	-177.2	178.3	-176.5	0	112.1	I597 I605 N606 E612 L613	I597-K609 HydrophobicContact CD1-CB 3.88Å; I597-K609 HydrophobicContact CD1-CG 4.4Å; I597-K609 WeakPolarHBondContact O-CD 3.37Å; I597-K609 WeakPolarHBondContact O-CE 3.32Å; I597-K609 PolarHBondContact O-NZ 3.01Å; I605-K609 HydrophobicContact CB-CB 3.9Å; I605-K609 HydrophobicContact CB-CD 4.39Å; I605-K609 HydrophobicContact CG2-CB 4.15Å; I605-K609 HydrophobicContact CG2-CD 4.18Å; N606-K609 PolarHBondContact O-N 2.85Å; N606-K609 PolarHBondContact OD1-N 3.37Å; K609-E612 WeakPolarHBondContact O-CB 3.44Å; K609-E612 PolarHBondContact O-N 2.79Å; K609-L613 PolarHBondContact O-N 3.39Å
610	L	96.6	Very high	94.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-48	171.9	-179.6	63.1	0	0	0	110.7	I605 N606 V608 E612 L613 L614 M636 V637 F653 L656	I605-L610 HydrophobicContact CD1-CB 4.05Å; I605-L610 HydrophobicContact CD1-CD1 4.04Å; N606-L610 PolarHBondContact O-N 3.19Å; V608-L610 VanDerWaalsContact C-N 3.3Å; V608-L610 PolarHBondContact O-N 2.91Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 2.86Å; L610-L613 PolarHBondContact O-N 3.24Å; L610-L613 VanDerWaalsContact O-N 3.16Å; L610-L614 HydrophobicContact CD1-CD1 3.88Å; L610-L614 HydrophobicContact CD1-CD2 4.49Å; L610-L614 HydrophobicContact CD1-CG 4.06Å; L610-L614 HydrophobicContact CD2-CD1 4.49Å; L610-L614 HydrophobicContact CG-CD1 3.84Å; L610-L614 HydrophobicContact CG-CG 4.35Å; L610-L614 WeakPolarHBondContact O-CG 3.41Å; L610-L614 PolarHBondContact O-N 2.85Å; L610-M636 HydrophobicContact CD2-CB 3.82Å; L610-V637 HydrophobicContact CD2-CG2 3.82Å; L610-F653 HydrophobicContact CD1-CD2 3.64Å; L610-F653 HydrophobicContact CD1-CE2 3.61Å; L610-L656 HydrophobicContact CD1-CD2 4.5Å; L610-L656 HydrophobicContact CD2-CD2 4.26Å
611	G	95.8	Very high	94.1	Very high	6 Å²	6	50.9 Å²	50.9	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-39.7	174.5	0	0	0	0	0	113.2	A607 V608 L613 N615 C633	A607-G611 PolarHBondContact O-N 3.19Å; V608-G611 PolarHBondContact O-N 2.81Å; G611-L613 VanDerWaalsContact C-N 3.34Å; G611-L613 PolarHBondContact O-N 3.47Å; G611-N615 WeakPolarHBondContact O-CB 3.41Å; G611-N615 PolarHBondContact O-N 3.43Å; G611-N615 PolarHBondContact O-ND2 3.35Å; G611-C633 WeakPolarHBondContact CA-SG 3.39Å
612	E	94.9	Very high	94.1	Very high	105 Å²	105	42.3 Å²	42.3	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-39.2	174.6	-70.4	172.6	-169.9	0	0	112.5	V608 K609 L610 N616	V608-E612 PolarHBondContact O-N 2.9Å; K609-E612 WeakPolarHBondContact O-CB 3.44Å; K609-E612 PolarHBondContact O-N 2.79Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 2.86Å; E612-N616 PolarHBondContact O-ND2 3.02Å
613	L	95.5	Very high	93.8	Very high	11 Å²	11	42 Å²	42	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-53.8	175.4	-70.8	174	0	0	0	111.5	K593 F594 I597 I605 K609 L610 G611 N615 N616 S617 F653	K593-L613 HydrophobicContact CB-CD2 3.58Å; F594-L613 HydrophobicContact CB-CD1 4.14Å; F594-L613 HydrophobicContact CD2-CD1 3.96Å; F594-L613 HydrophobicContact CG-CD1 4.48Å; I597-L613 HydrophobicContact CD1-CD1 3.72Å; I597-L613 HydrophobicContact CD1-CD2 3.63Å; I597-L613 HydrophobicContact CD1-CG 3.42Å; I597-L613 VanDerWaalsContact CD1-CG 3.42Å; I597-L613 HydrophobicContact CG1-CD1 4.36Å; I597-L613 HydrophobicContact CG1-CD2 4.29Å; I597-L613 HydrophobicContact CG1-CG 4.4Å; I605-L613 HydrophobicContact CD1-CD1 3.7Å; K609-L613 PolarHBondContact O-N 3.39Å; L610-L613 PolarHBondContact O-N 3.24Å; L610-L613 VanDerWaalsContact O-N 3.16Å; G611-L613 VanDerWaalsContact C-N 3.34Å; G611-L613 PolarHBondContact O-N 3.47Å; L613-N615 VanDerWaalsContact C-N 3.35Å; L613-N615 PolarHBondContact O-N 3.47Å; L613-N616 CarbonylContact O-C 3.6Å; L613-N616 PolarHBondContact O-N 2.95Å; L613-N616 VanDerWaalsContact O-N 3.11Å; L613-S617 PolarHBondContact O-N 2.66Å; L613-F653 HydrophobicContact CD1-CE1 4.46Å; L613-F653 HydrophobicContact CD1-CE2 4.12Å; L613-F653 HydrophobicContact CD1-CZ 3.95Å
614	L	95.6	Very high	93.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-34	-172.8	-59	175.7	0	0	0	112.2	L610 N616 S617 L619 F628 M636 F653 W657	L610-L614 HydrophobicContact CD1-CD1 3.88Å; L610-L614 HydrophobicContact CD1-CD2 4.49Å; L610-L614 HydrophobicContact CD1-CG 4.06Å; L610-L614 HydrophobicContact CD2-CD1 4.49Å; L610-L614 HydrophobicContact CG-CD1 3.84Å; L610-L614 HydrophobicContact CG-CG 4.35Å; L610-L614 WeakPolarHBondContact O-CG 3.41Å; L610-L614 PolarHBondContact O-N 2.85Å; L614-N616 PolarHBondContact O-N 2.79Å; L614-S617 PolarHBondContact O-N 2.72Å; L614-S617 PolarHBondContact O-OG 3.49Å; L614-L619 HydrophobicContact CD2-CD1 3.87Å; L614-F628 HydrophobicContact CB-CB 4.43Å; L614-F628 HydrophobicContact CB-CD1 4.27Å; L614-F628 HydrophobicContact CB-CD2 3.45Å; L614-F628 VanDerWaalsContact CB-CD2 3.45Å; L614-F628 HydrophobicContact CB-CE1 4.47Å; L614-F628 HydrophobicContact CB-CE2 3.7Å; L614-F628 HydrophobicContact CB-CG 3.79Å; L614-F628 HydrophobicContact CB-CZ 4.22Å; L614-F628 HydrophobicContact CD1-CD1 3.78Å; L614-F628 HydrophobicContact CD1-CD2 4.46Å; L614-F628 HydrophobicContact CD1-CE1 3.98Å; L614-F628 HydrophobicContact CD1-CG 4.06Å; L614-F628 HydrophobicContact CD1-CZ 4.43Å; L614-M636 HydrophobicContact CD1-CE 3.59Å; L614-M636 HydrophobicContact CD1-SD 3.62Å; L614-F653 HydrophobicContact CD2-CE2 4.21Å; L614-W657 HydrophobicContact CD2-CE3 4.01Å; L614-W657 HydrophobicContact CD2-CZ3 4.2Å
615	N	95	Very high	93.3	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.8	175.1	-71.2	-41.5	0	0	0	114.3	G611 L613 Q620 G627 F628	G611-N615 WeakPolarHBondContact O-CB 3.41Å; G611-N615 PolarHBondContact O-N 3.43Å; G611-N615 PolarHBondContact O-ND2 3.35Å; L613-N615 VanDerWaalsContact C-N 3.35Å; L613-N615 PolarHBondContact O-N 3.47Å; N615-Q620 VanDerWaalsContact O-CG 3.25Å; N615-Q620 WeakPolarHBondContact O-CG 3.22Å; N615-Q620 PolarHBondContact OD1-NE2 2.99Å; N615-G627 WeakPolarHBondContact OD1-CA 3.34Å; N615-F628 PolarHBondContact ND2-O 3.26Å; N615-F628 PolarHBondContact OD1-N 2.81Å
616	N	92.8	Very high	93.1	Very high	122 Å²	122	52.1 Å²	52.1	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	25.8	175.2	-67.4	-61.4	0	0	0	111.8	E612 L613 L614	E612-N616 PolarHBondContact O-ND2 3.02Å; L613-N616 CarbonylContact O-C 3.6Å; L613-N616 PolarHBondContact O-N 2.95Å; L613-N616 VanDerWaalsContact O-N 3.11Å; L614-N616 PolarHBondContact O-N 2.79Å
617	S	93.2	Very high	93	Very high	12 Å²	12	49.4 Å²	49.4	8%	0.084	26%	0.264	C	S	.	.	S	Bend	trans	-119.5	171.1	179.7	75	0	0	0	0	111.2	L613 L614 L619 Q620	L613-S617 PolarHBondContact O-N 2.66Å; L614-S617 PolarHBondContact O-N 2.72Å; L614-S617 PolarHBondContact O-OG 3.49Å; S617-L619 PolarHBondContact O-N 2.96Å; S617-L619 VanDerWaalsContact O-N 3.1Å; S617-L619 WeakPolarHBondContact OG-CB 3.38Å; S617-L619 PolarHBondContact OG-N 2.97Å; S617-Q620 PolarHBondContact O-N 2.66Å; S617-Q620 VanDerWaalsContact O-N 3.12Å
618	T	91.1	Very high	93	Very high	29 Å²	29	48.8 Å²	48.8	18%	0.178	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-63.6	-13	175.4	65.7	0	0	0	0	112.9	E586 Q620 D621 K664	E586-T618 VanDerWaalsContact CD-CG2 3.43Å; E586-T618 VanDerWaalsContact CD-OG1 3.24Å; E586-T618 WeakPolarHBondContact OE1-CB 3.5Å; E586-T618 VanDerWaalsContact OE1-CG2 3.22Å; E586-T618 WeakPolarHBondContact OE1-CG2 3.19Å; E586-T618 PolarHBondContact OE1-N 2.93Å; E586-T618 PolarHBondContact OE1-OG1 2.97Å; E586-T618 VanDerWaalsContact OE1-OG1 3.09Å; E586-T618 WeakPolarHBondContact OE2-CB 3.45Å; E586-T618 WeakPolarHBondContact OE2-CG2 3.09Å; E586-T618 PolarHBondContact OE2-OG1 3.38Å; T618-Q620 PolarHBondContact O-N 3.49Å; T618-D621 WeakPolarHBondContact CA-OD2 3.24Å; T618-D621 WeakPolarHBondContact CB-OD2 3.36Å; T618-D621 VanDerWaalsContact O-CB 3.3Å; T618-D621 WeakPolarHBondContact O-CB 3.1Å; T618-D621 PolarHBondContact O-N 3.3Å; T618-K664 WeakPolarHBondContact O-CE 3.33Å; T618-K664 PolarHBondContact O-NZ 2.95Å
619	L	93.2	Very high	92.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61	-15	171.8	-63.1	179.6	0	0	0	113.1	L614 S617 D621 F628 W657 A660 K661 K664	L614-L619 HydrophobicContact CD2-CD1 3.87Å; S617-L619 PolarHBondContact O-N 2.96Å; S617-L619 VanDerWaalsContact O-N 3.1Å; S617-L619 WeakPolarHBondContact OG-CB 3.38Å; S617-L619 PolarHBondContact OG-N 2.97Å; L619-D621 VanDerWaalsContact C-N 3.32Å; L619-F628 HydrophobicContact CB-CE2 3.68Å; L619-F628 HydrophobicContact CB-CZ 3.79Å; L619-F628 HydrophobicContact CD1-CE2 4.2Å; L619-F628 HydrophobicContact CD1-CZ 3.73Å; L619-F628 HydrophobicContact CG-CZ 4.4Å; L619-W657 HydrophobicContact CD1-CE3 3.88Å; L619-W657 HydrophobicContact CD1-CH2 4.41Å; L619-W657 HydrophobicContact CD1-CZ3 3.45Å; L619-W657 VanDerWaalsContact CD1-CZ3 3.45Å; L619-W657 HydrophobicContact CD2-CZ3 4.47Å; L619-W657 HydrophobicContact CG-CE3 4.42Å; L619-W657 HydrophobicContact CG-CH2 4.1Å; L619-W657 HydrophobicContact CG-CZ3 3.6Å; L619-A660 HydrophobicContact CD1-CB 3.83Å; L619-A660 HydrophobicContact CD2-CB 4.42Å; L619-K661 HydrophobicContact CD2-CG 4.31Å; L619-K664 HydrophobicContact CD2-CB 3.98Å; L619-K664 HydrophobicContact CD2-CD 3.84Å; L619-K664 HydrophobicContact CD2-CG 4.41Å
620	Q	91.8	Very high	92.8	Very high	48 Å²	48	52.3 Å²	52.3	22%	0.224	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-77.2	-13.3	170.8	-68.8	-52.9	-62.9	0	0	114.5	N615 S617 T618 I622 F625 G627 F628	N615-Q620 VanDerWaalsContact O-CG 3.25Å; N615-Q620 WeakPolarHBondContact O-CG 3.22Å; N615-Q620 PolarHBondContact OD1-NE2 2.99Å; S617-Q620 PolarHBondContact O-N 2.66Å; S617-Q620 VanDerWaalsContact O-N 3.12Å; T618-Q620 PolarHBondContact O-N 3.49Å; Q620-I622 PolarHBondContact O-N 2.81Å; Q620-F625 VanDerWaalsContact NE2-CE1 3.28Å; Q620-G627 VanDerWaalsContact OE1-CA 3.27Å; Q620-F628 VanDerWaalsContact NE2-CD2 3.25Å
621	D	90.2	Very high	92.7	Very high	107 Å²	107	55.9 Å²	55.9	57%	0.572	29%	0.285	S	S	*	.			trans	-78.8	50.5	-174.8	-57.7	-30.6	0	0	0	111.8	T618 L619	T618-D621 WeakPolarHBondContact CA-OD2 3.24Å; T618-D621 WeakPolarHBondContact CB-OD2 3.36Å; T618-D621 VanDerWaalsContact O-CB 3.3Å; T618-D621 WeakPolarHBondContact O-CB 3.1Å; T618-D621 PolarHBondContact O-N 3.3Å; L619-D621 VanDerWaalsContact C-N 3.32Å
622	I	91.8	Very high	92.7	Very high	11 Å²	11	55.6 Å²	55.6	6%	0.056	28%	0.282	C	S	.	.	S	Bend	trans	-124.9	128.7	176.7	-62.9	-65.2	0	0	0	108.7	Q620 N624 F625 K664 F667 I668 F716	Q620-I622 PolarHBondContact O-N 2.81Å; I622-N624 PolarHBondContact O-N 3.41Å; I622-F625 HydrophobicContact CB-CB 4.02Å; I622-F625 HydrophobicContact CG2-CB 4.21Å; I622-F625 WeakPolarHBondContact O-CB 3.3Å; I622-F625 PolarHBondContact O-N 3.42Å; I622-K664 HydrophobicContact CD1-CG 3.87Å; I622-K664 HydrophobicContact CG1-CG 4.23Å; I622-F667 HydrophobicContact CD1-CD1 4.39Å; I622-F667 HydrophobicContact CG2-CD1 4.47Å; I622-F667 HydrophobicContact CG2-CE1 4.19Å; I622-I668 HydrophobicContact CD1-CD1 3.82Å; I622-I668 HydrophobicContact CD1-CG1 3.63Å; I622-F716 HydrophobicContact CB-CD1 4.11Å; I622-F716 HydrophobicContact CB-CE1 4.42Å; I622-F716 HydrophobicContact CB-CG 4.33Å; I622-F716 HydrophobicContact CG1-CD1 3.99Å; I622-F716 HydrophobicContact CG1-CD2 4.33Å; I622-F716 HydrophobicContact CG1-CE1 3.87Å; I622-F716 HydrophobicContact CG1-CE2 4.23Å; I622-F716 HydrophobicContact CG1-CG 4.21Å; I622-F716 HydrophobicContact CG1-CZ 3.99Å; I622-F716 HydrophobicContact CG2-CB 3.79Å; I622-F716 HydrophobicContact CG2-CD1 4.02Å; I622-F716 HydrophobicContact CG2-CD2 4.33Å; I622-F716 HydrophobicContact CG2-CG 3.78Å
623	P	85.6	Confident	92.8	Very high	60 Å²	60	50.8 Å²	50.8	39%	0.39	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	136.8	177	-26.7	34.7	0	0	0	112.4	F625	P623-F625 PolarHBondContact O-N 2.9Å
624	N	85.7	Confident	92.7	Very high	101 Å²	101	57.7 Å²	57.7	54%	0.54	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-2.4	176.7	-54.7	-51.9	0	0	0	116.8	I622 Q626 S675	I622-N624 PolarHBondContact O-N 3.41Å; N624-Q626 PolarHBondContact O-N 2.8Å; N624-Q626 PolarHBondContact O-NE2 2.82Å; N624-Q626 VanDerWaalsContact O-NE2 3.13Å; N624-S675 PolarHBondContact ND2-O 2.64Å
625	F	92.8	Very high	92.7	Very high	25 Å²	25	57.9 Å²	57.9	11%	0.11	29%	0.286	C	S	.	.			trans	-67.8	124.2	177.5	-177.3	-141.5	0	0	0	110.8	Q620 I622 P623 G627 F628 F716 E717	Q620-F625 VanDerWaalsContact NE2-CE1 3.28Å; I622-F625 HydrophobicContact CB-CB 4.02Å; I622-F625 HydrophobicContact CG2-CB 4.21Å; I622-F625 WeakPolarHBondContact O-CB 3.3Å; I622-F625 PolarHBondContact O-N 3.42Å; P623-F625 PolarHBondContact O-N 2.9Å; F625-G627 VanDerWaalsContact C-N 3.28Å; F625-G627 WeakPolarHBondContact CE2-O 3.38Å; F625-F628 AromaticContact CE1-CD2 3.88Å; F625-F628 HydrophobicContact CE1-CD2 3.88Å; F625-F628 AromaticContact CE1-CE2 3.58Å; F625-F628 HydrophobicContact CE1-CE2 3.58Å; F625-F628 HydrophobicContact CE1-CZ 4.1Å; F625-F628 HydrophobicContact CZ-CD1 4.42Å; F625-F628 AromaticContact CZ-CD2 3.83Å; F625-F628 HydrophobicContact CZ-CD2 3.83Å; F625-F628 HydrophobicContact CZ-CE1 4.42Å; F625-F628 AromaticContact CZ-CE2 3.83Å; F625-F628 HydrophobicContact CZ-CE2 3.83Å; F625-F628 HydrophobicContact CZ-CG 4.11Å; F625-F628 HydrophobicContact CZ-CZ 4.12Å; F625-F716 HydrophobicContact CB-CD1 4.26Å; F625-F716 AromaticContact CD1-CD1 3.74Å; F625-F716 HydrophobicContact CD1-CD1 3.74Å; F625-F716 AromaticContact CD1-CE1 3.89Å; F625-F716 HydrophobicContact CD1-CE1 3.89Å; F625-F716 AromaticContact CD2-CD1 3.85Å; F625-F716 HydrophobicContact CD2-CD1 3.85Å; F625-F716 AromaticContact CE1-CD1 3.93Å; F625-F716 HydrophobicContact CE1-CD1 3.93Å; F625-F716 AromaticContact CE1-CE1 3.77Å; F625-F716 HydrophobicContact CE1-CE1 3.77Å; F625-F716 HydrophobicContact CE2-CD1 4.06Å; F625-F716 AromaticContact CG-CD1 3.7Å; F625-F716 HydrophobicContact CG-CD1 3.7Å; F625-F716 HydrophobicContact CG-CE1 4.33Å; F625-F716 HydrophobicContact CZ-CD1 4.09Å; F625-F716 HydrophobicContact CZ-CE1 4.13Å; F625-E717 HydrophobicContact CD2-CB 4.32Å; F625-E717 HydrophobicContact CE2-CB 3.98Å; F625-E717 HydrophobicContact CE2-CG 4.3Å
626	Q	91.5	Very high	92.7	Very high	169 Å²	169	55.3 Å²	55.3	79%	0.79	27%	0.272	S	S	*	.			trans	-87.2	0.5	-177.6	-59.9	-59.4	-50.7	0	0	113.2	N624	N624-Q626 PolarHBondContact O-N 2.8Å; N624-Q626 PolarHBondContact O-NE2 2.82Å; N624-Q626 VanDerWaalsContact O-NE2 3.13Å
627	G	93.1	Very high	92.8	Very high	5 Å²	5	49.8 Å²	49.8	5%	0.052	24%	0.243	C	C	.	.			trans	99	166.6	-177.9	0	0	0	0	0	114.4	N615 Q620 F625 N629	N615-G627 WeakPolarHBondContact OD1-CA 3.34Å; Q620-G627 VanDerWaalsContact OE1-CA 3.27Å; F625-G627 VanDerWaalsContact C-N 3.28Å; F625-G627 WeakPolarHBondContact CE2-O 3.38Å; G627-N629 PolarHBondContact O-N 2.76Å
628	F	95	Very high	92.7	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.035	24%	0.243	C	C	.	.			trans	-66.7	101.1	176.8	-66.5	-94	0	0	0	110	L614 N615 L619 Q620 F625 L632 M636 M720	L614-F628 HydrophobicContact CB-CB 4.43Å; L614-F628 HydrophobicContact CB-CD1 4.27Å; L614-F628 HydrophobicContact CB-CD2 3.45Å; L614-F628 VanDerWaalsContact CB-CD2 3.45Å; L614-F628 HydrophobicContact CB-CE1 4.47Å; L614-F628 HydrophobicContact CB-CE2 3.7Å; L614-F628 HydrophobicContact CB-CG 3.79Å; L614-F628 HydrophobicContact CB-CZ 4.22Å; L614-F628 HydrophobicContact CD1-CD1 3.78Å; L614-F628 HydrophobicContact CD1-CD2 4.46Å; L614-F628 HydrophobicContact CD1-CE1 3.98Å; L614-F628 HydrophobicContact CD1-CG 4.06Å; L614-F628 HydrophobicContact CD1-CZ 4.43Å; N615-F628 PolarHBondContact ND2-O 3.26Å; N615-F628 PolarHBondContact OD1-N 2.81Å; L619-F628 HydrophobicContact CB-CE2 3.68Å; L619-F628 HydrophobicContact CB-CZ 3.79Å; L619-F628 HydrophobicContact CD1-CE2 4.2Å; L619-F628 HydrophobicContact CD1-CZ 3.73Å; L619-F628 HydrophobicContact CG-CZ 4.4Å; Q620-F628 VanDerWaalsContact NE2-CD2 3.25Å; F625-F628 AromaticContact CE1-CD2 3.88Å; F625-F628 HydrophobicContact CE1-CD2 3.88Å; F625-F628 AromaticContact CE1-CE2 3.58Å; F625-F628 HydrophobicContact CE1-CE2 3.58Å; F625-F628 HydrophobicContact CE1-CZ 4.1Å; F625-F628 HydrophobicContact CZ-CD1 4.42Å; F625-F628 AromaticContact CZ-CD2 3.83Å; F625-F628 HydrophobicContact CZ-CD2 3.83Å; F625-F628 HydrophobicContact CZ-CE1 4.42Å; F625-F628 AromaticContact CZ-CE2 3.83Å; F625-F628 HydrophobicContact CZ-CE2 3.83Å; F625-F628 HydrophobicContact CZ-CG 4.11Å; F625-F628 HydrophobicContact CZ-CZ 4.12Å; F628-L632 HydrophobicContact CD1-CD2 3.45Å; F628-L632 VanDerWaalsContact CD1-CD2 3.45Å; F628-L632 HydrophobicContact CD1-CG 3.88Å; F628-L632 HydrophobicContact CE1-CD2 3.87Å; F628-L632 HydrophobicContact CE1-CG 4.46Å; F628-L632 HydrophobicContact CG-CD2 4.3Å; F628-M636 HydrophobicContact CD1-SD 3.79Å; F628-M636 HydrophobicContact CE1-CE 4.23Å; F628-M636 HydrophobicContact CE1-SD 3.87Å; F628-M720 HydrophobicContact CE1-CE 4.25Å; F628-M720 HydrophobicContact CZ-CE 4.48Å
629	N	94.3	Very high	92.8	Very high	62 Å²	62	48.5 Å²	48.5	33%	0.332	24%	0.236	S	C	.	.			trans	-75.8	178.7	177.3	77.1	22.8	0	0	0	111.9	G627 E631 L632 C633 E717	G627-N629 PolarHBondContact O-N 2.76Å; N629-E631 VanDerWaalsContact C-N 3.33Å; N629-E631 PolarHBondContact O-N 3.48Å; N629-E631 PolarHBondContact OD1-N 3.22Å; N629-L632 PolarHBondContact OD1-N 2.8Å; N629-C633 WeakPolarHBondContact O-CB 3.41Å; N629-C633 PolarHBondContact O-N 2.88Å; N629-C633 PolarHBondContact O-SG 2.82Å; N629-E717 VanDerWaalsContact ND2-CD 3.3Å; N629-E717 PolarHBondContact ND2-OE1 3.02Å
630	K	94.1	Very high	92.7	Very high	163 Å²	163	48.7 Å²	48.7	71%	0.709	24%	0.237	S	C	*	.	H	α-helix	trans	-62.7	-35.9	-176.2	-67.8	179.7	-178.7	174.3	0	113.6	R634	K630-R634 WeakPolarHBondContact O-CB 3.21Å; K630-R634 WeakPolarHBondContact O-CD 3.31Å; K630-R634 WeakPolarHBondContact O-CG 3.32Å; K630-R634 PolarHBondContact O-N 3.44Å
631	E	94.2	Very high	92.6	Very high	76 Å²	76	46.6 Å²	46.6	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-75.5	-44.5	-176.9	178.8	61.6	-170.9	0	0	111.1	N629 C633 R634 S635 R725	N629-E631 VanDerWaalsContact C-N 3.33Å; N629-E631 PolarHBondContact O-N 3.48Å; N629-E631 PolarHBondContact OD1-N 3.22Å; E631-C633 PolarHBondContact O-N 3.35Å; E631-R634 PolarHBondContact O-N 3.01Å; E631-S635 WeakPolarHBondContact O-CB 3.45Å; E631-S635 PolarHBondContact O-N 3.35Å; E631-S635 PolarHBondContact O-OG 3.32Å; E631-R725 IonicContact OE1-CZ 3.45Å; E631-R725 IonicContact OE1-NH2 3.99Å; E631-R725 PolarHBondContact OE1-NH2 3.07Å
632	L	95.2	Very high	92.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.6	-178.9	54.5	0	0	0	110.9	F628 N629 R634 S635 M636 E717 M720 L721	F628-L632 HydrophobicContact CD1-CD2 3.45Å; F628-L632 VanDerWaalsContact CD1-CD2 3.45Å; F628-L632 HydrophobicContact CD1-CG 3.88Å; F628-L632 HydrophobicContact CE1-CD2 3.87Å; F628-L632 HydrophobicContact CE1-CG 4.46Å; F628-L632 HydrophobicContact CG-CD2 4.3Å; N629-L632 PolarHBondContact OD1-N 2.8Å; L632-R634 VanDerWaalsContact C-N 3.34Å; L632-R634 PolarHBondContact O-N 3.07Å; L632-S635 PolarHBondContact O-N 3.28Å; L632-M636 HydrophobicContact CD1-CG 4.28Å; L632-M636 HydrophobicContact CD1-SD 4.34Å; L632-M636 HydrophobicContact CG-SD 4.19Å; L632-M636 WeakPolarHBondContact O-CB 3.19Å; L632-M636 VanDerWaalsContact O-CG 3.27Å; L632-M636 WeakPolarHBondContact O-CG 3.31Å; L632-M636 PolarHBondContact O-N 3.24Å; L632-E717 HydrophobicContact CD2-CG 4.12Å; L632-M720 HydrophobicContact CD1-CB 4.19Å; L632-M720 HydrophobicContact CD2-CB 4.15Å; L632-L721 HydrophobicContact CD1-CB 3.95Å; L632-L721 HydrophobicContact CD1-CD1 4.09Å
633	C	96.5	Very high	91.9	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-39.8	176.3	-65.7	0	0	0	0	112.6	A607 G611 N629 E631 M636 V637	A607-C633 HydrophobicContact CB-CB 4.05Å; A607-C633 VanDerWaalsContact O-CB 3.29Å; A607-C633 WeakPolarHBondContact O-CB 3.48Å; G611-C633 WeakPolarHBondContact CA-SG 3.39Å; N629-C633 WeakPolarHBondContact O-CB 3.41Å; N629-C633 PolarHBondContact O-N 2.88Å; N629-C633 PolarHBondContact O-SG 2.82Å; E631-C633 PolarHBondContact O-N 3.35Å; C633-M636 PolarHBondContact O-N 3.2Å; C633-V637 WeakPolarHBondContact O-CG2 3.37Å; C633-V637 PolarHBondContact O-N 2.61Å
634	R	94.8	Very high	91.9	Very high	156 Å²	156	53.3 Å²	53.3	59%	0.589	26%	0.26	S	S	*	.	H	α-helix	trans	-65.6	-42.8	177	-78.6	168.8	-179.9	-171.5	-2.4	112	A607 K630 E631 L632 M636 V637 A638	A607-R634 HydrophobicContact CB-CG 3.98Å; K630-R634 WeakPolarHBondContact O-CB 3.21Å; K630-R634 WeakPolarHBondContact O-CD 3.31Å; K630-R634 WeakPolarHBondContact O-CG 3.32Å; K630-R634 PolarHBondContact O-N 3.44Å; E631-R634 PolarHBondContact O-N 3.01Å; L632-R634 VanDerWaalsContact C-N 3.34Å; L632-R634 PolarHBondContact O-N 3.07Å; R634-M636 VanDerWaalsContact C-N 3.29Å; R634-M636 PolarHBondContact O-N 3.38Å; R634-V637 PolarHBondContact O-N 2.76Å; R634-A638 WeakPolarHBondContact O-CB 3.36Å; R634-A638 PolarHBondContact O-N 3.1Å
635	S	94.3	Very high	92.1	Very high	5 Å²	5	51.9 Å²	51.9	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-38.2	176.8	-57.2	0	0	0	0	111.1	E631 L632 A638 S639 L721 V724	E631-S635 WeakPolarHBondContact O-CB 3.45Å; E631-S635 PolarHBondContact O-N 3.35Å; E631-S635 PolarHBondContact O-OG 3.32Å; L632-S635 PolarHBondContact O-N 3.28Å; S635-A638 PolarHBondContact O-N 2.82Å; S635-S639 PolarHBondContact O-N 2.88Å; S635-L721 VanDerWaalsContact OG-CD1 3.24Å; S635-L721 WeakPolarHBondContact OG-CD1 3.25Å; S635-V724 WeakPolarHBondContact O-CG1 3.42Å
636	M	95.7	Very high	92	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-36.5	174.9	-76.1	-179.3	93.3	0	0	113	L610 L614 F628 L632 C633 R634 S639 L656 A660 V724	L610-M636 HydrophobicContact CD2-CB 3.82Å; L614-M636 HydrophobicContact CD1-CE 3.59Å; L614-M636 HydrophobicContact CD1-SD 3.62Å; F628-M636 HydrophobicContact CD1-SD 3.79Å; F628-M636 HydrophobicContact CE1-CE 4.23Å; F628-M636 HydrophobicContact CE1-SD 3.87Å; L632-M636 HydrophobicContact CD1-CG 4.28Å; L632-M636 HydrophobicContact CD1-SD 4.34Å; L632-M636 HydrophobicContact CG-SD 4.19Å; L632-M636 WeakPolarHBondContact O-CB 3.19Å; L632-M636 VanDerWaalsContact O-CG 3.27Å; L632-M636 WeakPolarHBondContact O-CG 3.31Å; L632-M636 PolarHBondContact O-N 3.24Å; C633-M636 PolarHBondContact O-N 3.2Å; R634-M636 VanDerWaalsContact C-N 3.29Å; R634-M636 PolarHBondContact O-N 3.38Å; M636-S639 PolarHBondContact O-OG 3.28Å; M636-L656 HydrophobicContact CB-CD1 4.35Å; M636-L656 HydrophobicContact CB-CD2 3.9Å; M636-L656 HydrophobicContact CE-CD1 3.81Å; M636-L656 HydrophobicContact CE-CD2 3.92Å; M636-L656 HydrophobicContact CE-CG 3.78Å; M636-L656 HydrophobicContact CG-CD1 4.31Å; M636-L656 HydrophobicContact CG-CD2 4.5Å; M636-A660 HydrophobicContact CE-CB 4.27Å; M636-V724 HydrophobicContact CG-CG1 4.15Å; M636-V724 HydrophobicContact CG-CG2 3.61Å
637	V	94.6	Very high	92.1	Very high	6 Å²	6	47 Å²	47	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-48.5	170.2	172.3	0	0	0	0	109.8	A607 L610 C633 R634 S639 V640 D641 V648	A607-V637 HydrophobicContact CB-CG2 3.87Å; L610-V637 HydrophobicContact CD2-CG2 3.82Å; C633-V637 WeakPolarHBondContact O-CG2 3.37Å; C633-V637 PolarHBondContact O-N 2.61Å; R634-V637 PolarHBondContact O-N 2.76Å; V637-S639 PolarHBondContact O-N 2.82Å; V637-V640 PolarHBondContact O-N 3.15Å; V637-V640 VanDerWaalsContact O-N 3.15Å; V637-D641 HydrophobicContact CG1-CB 4.12Å; V637-D641 WeakPolarHBondContact O-CB 3.44Å; V637-D641 PolarHBondContact O-N 3.04Å; V637-V648 HydrophobicContact CB-CG2 4Å; V637-V648 HydrophobicContact CG1-CG2 3.88Å; V637-V648 HydrophobicContact CG2-CG2 3.72Å
638	A	91.8	Very high	92.2	Very high	10 Å²	10	46.7 Å²	46.7	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-60.7	-26.7	-178.4	0	0	0	0	0	113.6	R634 S635 V640 Y757	R634-A638 WeakPolarHBondContact O-CB 3.36Å; R634-A638 PolarHBondContact O-N 3.1Å; S635-A638 PolarHBondContact O-N 2.82Å; A638-V640 VanDerWaalsContact C-N 3.28Å; A638-V640 PolarHBondContact O-N 3.32Å; A638-Y757 HydrophobicContact CB-CD1 4.15Å; A638-Y757 HydrophobicContact CB-CE1 4.03Å; A638-Y757 WeakPolarHBondContact CB-O 3.32Å
639	S	92	Very high	92.2	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.021	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.7	179.6	71.3	0	0	0	0	115.1	S635 M636 V637 T728	S635-S639 PolarHBondContact O-N 2.88Å; M636-S639 PolarHBondContact O-OG 3.28Å; V637-S639 PolarHBondContact O-N 2.82Å; S639-T728 WeakPolarHBondContact CA-OG1 3.38Å; S639-T728 WeakPolarHBondContact CB-OG1 3.38Å
640	V	91.6	Very high	92.2	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.03	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-16.7	179	-62.2	0	0	0	0	113.2	V637 A638 N642 V648 E652 L656	V637-V640 PolarHBondContact O-N 3.15Å; V637-V640 VanDerWaalsContact O-N 3.15Å; A638-V640 VanDerWaalsContact C-N 3.28Å; A638-V640 PolarHBondContact O-N 3.32Å; V640-N642 PolarHBondContact O-N 3.35Å; V640-N642 PolarHBondContact O-ND2 3.43Å; V640-N642 VanDerWaalsContact O-ND2 3.13Å; V640-V648 HydrophobicContact CG2-CB 4.34Å; V640-V648 HydrophobicContact CG2-CG1 3.74Å; V640-V648 HydrophobicContact CG2-CG2 3.76Å; V640-E652 HydrophobicContact CB-CB 3.96Å; V640-E652 HydrophobicContact CB-CG 4.41Å; V640-E652 HydrophobicContact CG2-CB 4.01Å; V640-L656 HydrophobicContact CG1-CB 4.16Å
641	D	89.3	Confident	92.2	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	24%	0.243	C	C	.	.			trans	-76.9	64.5	179.9	-178.9	42.5	0	0	0	112.8	V637 N643 L644 T645 G646 Y757	V637-D641 HydrophobicContact CG1-CB 4.12Å; V637-D641 WeakPolarHBondContact O-CB 3.44Å; V637-D641 PolarHBondContact O-N 3.04Å; D641-N643 PolarHBondContact O-N 2.83Å; D641-N643 VanDerWaalsContact O-N 3.14Å; D641-N643 PolarHBondContact OD1-OD1 3.01Å; D641-L644 PolarHBondContact O-N 2.8Å; D641-L644 VanDerWaalsContact O-N 3.15Å; D641-L644 PolarHBondContact OD1-N 2.95Å; D641-L644 VanDerWaalsContact OD2-CA 3.29Å; D641-L644 WeakPolarHBondContact OD2-CA 3.45Å; D641-T645 PolarHBondContact OD1-N 3.01Å; D641-T645 PolarHBondContact OD1-OG1 3.31Å; D641-T645 PolarHBondContact OD2-N 3.11Å; D641-G646 PolarHBondContact OD1-N 2.95Å; D641-G646 WeakPolarHBondContact OD2-CA 3.4Å; D641-G646 PolarHBondContact OD2-N 2.9Å; D641-Y757 PolarHBondContact OD2-OH 3.31Å
642	N	82.5	Confident	92.2	Very high	142 Å²	142	44.6 Å²	44.6	76%	0.759	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.4	-177.5	-70.3	-65.6	0	0	0	113.8	V640	V640-N642 PolarHBondContact O-N 3.35Å; V640-N642 PolarHBondContact O-ND2 3.43Å; V640-N642 VanDerWaalsContact O-ND2 3.13Å
643	N	84.7	Confident	92.2	Very high	87 Å²	87	44.6 Å²	44.6	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.2	-179	63.6	11.7	0	0	0	113.5	D641 T645	D641-N643 PolarHBondContact O-N 2.83Å; D641-N643 VanDerWaalsContact O-N 3.14Å; D641-N643 PolarHBondContact OD1-OD1 3.01Å; N643-T645 VanDerWaalsContact C-N 3.28Å; N643-T645 HydrophobicContact CB-CG2 4.38Å; N643-T645 PolarHBondContact O-N 3.45Å; N643-T645 WeakPolarHBondContact OD1-CB 2.94Å; N643-T645 WeakPolarHBondContact OD1-CG2 3.29Å; N643-T645 PolarHBondContact OD1-N 3.4Å; N643-T645 PolarHBondContact OD1-OG1 2.66Å; N643-T645 VanDerWaalsContact OD1-OG1 3.13Å
644	L	86.4	Confident	92.2	Very high	91 Å²	91	46.1 Å²	46.1	48%	0.476	24%	0.24	S	C	.	.			trans	57.7	36	178.4	-53.1	175.1	0	0	0	113.5	D641 G646 Y757	D641-L644 PolarHBondContact O-N 2.8Å; D641-L644 VanDerWaalsContact O-N 3.15Å; D641-L644 PolarHBondContact OD1-N 2.95Å; D641-L644 VanDerWaalsContact OD2-CA 3.29Å; D641-L644 WeakPolarHBondContact OD2-CA 3.45Å; L644-G646 VanDerWaalsContact C-N 3.32Å; L644-Y757 HydrophobicContact CD2-CD1 3.48Å; L644-Y757 VanDerWaalsContact CD2-CD1 3.48Å; L644-Y757 HydrophobicContact CD2-CE1 3.34Å; L644-Y757 HydrophobicContact CD2-CE2 4.47Å; L644-Y757 HydrophobicContact CD2-CG 4.12Å
645	T	90.2	Very high	92.1	Very high	71 Å²	71	41.9 Å²	41.9	44%	0.436	23%	0.229	S	C	.	.			trans	-79.4	-17.1	175.8	62.2	0	0	0	0	112.9	D641 N643 H647	D641-T645 PolarHBondContact OD1-N 3.01Å; D641-T645 PolarHBondContact OD1-OG1 3.31Å; D641-T645 PolarHBondContact OD2-N 3.11Å; N643-T645 VanDerWaalsContact C-N 3.28Å; N643-T645 HydrophobicContact CB-CG2 4.38Å; N643-T645 PolarHBondContact O-N 3.45Å; N643-T645 WeakPolarHBondContact OD1-CB 2.94Å; N643-T645 WeakPolarHBondContact OD1-CG2 3.29Å; N643-T645 PolarHBondContact OD1-N 3.4Å; N643-T645 PolarHBondContact OD1-OG1 2.66Å; N643-T645 VanDerWaalsContact OD1-OG1 3.13Å; T645-H647 PolarHBondContact O-N 2.79Å; T645-H647 PolarHBondContact O-ND1 2.89Å; T645-H647 PolarHBondContact OG1-N 3.41Å; T645-H647 PolarHBondContact OG1-O 2.73Å
646	G	91	Very high	92.1	Very high	30 Å²	30	41.7 Å²	41.7	31%	0.309	23%	0.227	S	C	.	.	S	Bend	trans	69.6	17.3	-169.5	0	0	0	0	0	113.4	D641 L644	D641-G646 PolarHBondContact OD1-N 2.95Å; D641-G646 WeakPolarHBondContact OD2-CA 3.4Å; D641-G646 PolarHBondContact OD2-N 2.9Å; L644-G646 VanDerWaalsContact C-N 3.32Å
647	H	93.8	Very high	92.1	Very high	60 Å²	60	41.8 Å²	41.8	28%	0.278	23%	0.228	S	C	.	.			trans	-130.8	163.1	-178.4	-62.2	78.3	0	0	0	110.8	A604 I605 T645	A604-H647 HydrophobicContact CB-CB 3.7Å; I605-H647 CarbonylContact O-C 3.52Å; I605-H647 WeakPolarHBondContact O-CA 3.47Å; I605-H647 WeakPolarHBondContact O-CB 3.31Å; T645-H647 PolarHBondContact O-N 2.79Å; T645-H647 PolarHBondContact O-ND1 2.89Å; T645-H647 PolarHBondContact OG1-N 3.41Å; T645-H647 PolarHBondContact OG1-O 2.73Å
648	V	94.6	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-124.1	122.6	-179.7	-176.9	0	0	0	0	108.9	F594 A604 I605 V637 V640 E652 F653	F594-V648 WeakPolarHBondContact CZ-O 3.49Å; A604-V648 CarbonylContact C-O 3.47Å; A604-V648 VanDerWaalsContact CA-O 3.24Å; A604-V648 WeakPolarHBondContact CA-O 3.49Å; A604-V648 VanDerWaalsContact CB-O 3.28Å; A604-V648 WeakPolarHBondContact CB-O 3.45Å; I605-V648 HydrophobicContact CG1-CB 4.21Å; I605-V648 PolarHBondContact N-O 2.95Å; I605-V648 PolarHBondContact O-N 3.27Å; V637-V648 HydrophobicContact CB-CG2 4Å; V637-V648 HydrophobicContact CG1-CG2 3.88Å; V637-V648 HydrophobicContact CG2-CG2 3.72Å; V640-V648 HydrophobicContact CG2-CB 4.34Å; V640-V648 HydrophobicContact CG2-CG1 3.74Å; V640-V648 HydrophobicContact CG2-CG2 3.76Å; V648-E652 HydrophobicContact CG1-CB 3.73Å; V648-F653 HydrophobicContact CG1-CB 3.78Å
649	E	94.8	Very high	92.2	Very high	90 Å²	90	46 Å²	46	42%	0.421	25%	0.247	S	C	.	.			trans	-77.8	165.7	172.6	-65.3	-174.3	-177.1	0	0	111.4	A604 N651 E652 F653	A604-E649 HydrophobicContact CB-CG 4.29Å; E649-N651 WeakPolarHBondContact CB-OD1 3.28Å; E649-N651 PolarHBondContact O-N 3.19Å; E649-E652 HydrophobicContact CB-CG 4.47Å; E649-E652 PolarHBondContact N-OE2 3.13Å; E649-E652 PolarHBondContact O-N 2.87Å; E649-F653 WeakPolarHBondContact O-CB 3.44Å; E649-F653 PolarHBondContact O-N 2.87Å
650	L	94.6	Very high	92.4	Very high	37 Å²	37	45.9 Å²	45.9	19%	0.194	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-44	-172.8	176.6	62.5	0	0	0	112.8	E591 F594 L595 F653 M654	E591-L650 HydrophobicContact CG-CD1 4.05Å; E591-L650 HydrophobicContact CG-CD2 4.22Å; F594-L650 HydrophobicContact CB-CD1 4.07Å; F594-L650 HydrophobicContact CD1-CB 4.07Å; F594-L650 HydrophobicContact CD1-CD1 3.52Å; F594-L650 HydrophobicContact CD1-CG 4.32Å; F594-L650 HydrophobicContact CD2-CD1 4.34Å; F594-L650 HydrophobicContact CE1-CB 3.69Å; F594-L650 HydrophobicContact CE1-CD1 4.03Å; F594-L650 HydrophobicContact CE1-CG 4.44Å; F594-L650 HydrophobicContact CG-CD1 3.72Å; F594-L650 HydrophobicContact CZ-CB 4.17Å; L595-L650 HydrophobicContact CD2-CD2 4.03Å; L595-L650 HydrophobicContact CG-CD2 4.48Å; L650-F653 HydrophobicContact CD1-CD1 4.45Å; L650-F653 WeakPolarHBondContact O-CB 3.4Å; L650-F653 PolarHBondContact O-N 2.91Å; L650-M654 HydrophobicContact CD1-CG 4.15Å; L650-M654 HydrophobicContact CD1-SD 4.41Å; L650-M654 HydrophobicContact CG-CG 4.48Å; L650-M654 VanDerWaalsContact O-CG 3.31Å; L650-M654 WeakPolarHBondContact O-CG 3.42Å; L650-M654 PolarHBondContact O-N 3.05Å
651	N	93.7	Very high	92.6	Very high	107 Å²	107	46.3 Å²	46.3	57%	0.572	25%	0.248	S	C	*	.	H	α-helix	trans	-63.2	-42.6	178.1	58.1	-37.2	0	0	0	112.3	E649 F653 M654 D655	E649-N651 WeakPolarHBondContact CB-OD1 3.28Å; E649-N651 PolarHBondContact O-N 3.19Å; N651-F653 VanDerWaalsContact C-N 3.32Å; N651-M654 PolarHBondContact O-N 3.04Å; N651-D655 PolarHBondContact O-N 3.38Å
652	E	94.3	Very high	92.9	Very high	31 Å²	31	46.2 Å²	46.2	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-41	175.3	-68.8	171.6	163.9	0	0	111.2	V640 V648 E649 L656	V640-E652 HydrophobicContact CB-CB 3.96Å; V640-E652 HydrophobicContact CB-CG 4.41Å; V640-E652 HydrophobicContact CG2-CB 4.01Å; V648-E652 HydrophobicContact CG1-CB 3.73Å; E649-E652 HydrophobicContact CB-CG 4.47Å; E649-E652 PolarHBondContact N-OE2 3.13Å; E649-E652 PolarHBondContact O-N 2.87Å; E652-L656 WeakPolarHBondContact O-CB 3.33Å; E652-L656 PolarHBondContact O-N 2.89Å; E652-L656 VanDerWaalsContact O-N 3.09Å
653	F	95.8	Very high	93.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-43.9	174.7	172.1	-106.4	0	0	0	112.1	I590 F594 I605 L610 L613 L614 V648 E649 L650 N651 L656 W657	I590-F653 HydrophobicContact CD1-CE1 4.34Å; I590-F653 HydrophobicContact CD1-CZ 3.72Å; I590-F653 HydrophobicContact CG1-CE1 4.06Å; I590-F653 HydrophobicContact CG1-CZ 3.82Å; I590-F653 HydrophobicContact CG2-CE1 4.22Å; F594-F653 HydrophobicContact CB-CD1 4.29Å; F594-F653 HydrophobicContact CB-CE1 4.26Å; F594-F653 HydrophobicContact CD2-CB 3.87Å; F594-F653 AromaticContact CD2-CD1 3.47Å; F594-F653 HydrophobicContact CD2-CD1 3.47Å; F594-F653 VanDerWaalsContact CD2-CD1 3.47Å; F594-F653 HydrophobicContact CD2-CD2 4.2Å; F594-F653 HydrophobicContact CD2-CE1 4.03Å; F594-F653 AromaticContact CD2-CG 3.55Å; F594-F653 HydrophobicContact CD2-CG 3.55Å; F594-F653 HydrophobicContact CE2-CB 3.56Å; F594-F653 HydrophobicContact CE2-CD1 4.09Å; F594-F653 HydrophobicContact CE2-CD2 4.41Å; F594-F653 AromaticContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CG-CD1 4.13Å; F594-F653 HydrophobicContact CZ-CB 4.44Å; I605-F653 HydrophobicContact CD1-CD2 4.38Å; L610-F653 HydrophobicContact CD1-CD2 3.64Å; L610-F653 HydrophobicContact CD1-CE2 3.61Å; L613-F653 HydrophobicContact CD1-CE1 4.46Å; L613-F653 HydrophobicContact CD1-CE2 4.12Å; L613-F653 HydrophobicContact CD1-CZ 3.95Å; L614-F653 HydrophobicContact CD2-CE2 4.21Å; V648-F653 HydrophobicContact CG1-CB 3.78Å; E649-F653 WeakPolarHBondContact O-CB 3.44Å; E649-F653 PolarHBondContact O-N 2.87Å; L650-F653 HydrophobicContact CD1-CD1 4.45Å; L650-F653 WeakPolarHBondContact O-CB 3.4Å; L650-F653 PolarHBondContact O-N 2.91Å; N651-F653 VanDerWaalsContact C-N 3.32Å; F653-L656 PolarHBondContact O-N 3.2Å; F653-W657 VanDerWaalsContact O-CB 3.23Å; F653-W657 WeakPolarHBondContact O-CB 3.29Å; F653-W657 PolarHBondContact O-N 3.16Å
654	M	95	Very high	94.2	Very high	35 Å²	35	36.1 Å²	36.1	17%	0.172	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-35.5	-179.8	-66.9	-51.2	-69.8	0	0	112.4	D587 I590 E591 L650 N651 W657 I658	D587-M654 HydrophobicContact CB-CE 4.24Å; I590-M654 HydrophobicContact CG2-CE 4.48Å; I590-M654 HydrophobicContact CG2-SD 4.43Å; E591-M654 HydrophobicContact CB-SD 4.29Å; L650-M654 HydrophobicContact CD1-CG 4.15Å; L650-M654 HydrophobicContact CD1-SD 4.41Å; L650-M654 HydrophobicContact CG-CG 4.48Å; L650-M654 VanDerWaalsContact O-CG 3.31Å; L650-M654 WeakPolarHBondContact O-CG 3.42Å; L650-M654 PolarHBondContact O-N 3.05Å; N651-M654 PolarHBondContact O-N 3.04Å; M654-W657 PolarHBondContact O-N 3Å; M654-I658 WeakPolarHBondContact O-CG1 3.39Å; M654-I658 PolarHBondContact O-N 2.92Å; M654-I658 VanDerWaalsContact O-N 3.08Å
655	D	92.8	Very high	94.6	Very high	67 Å²	67	35 Å²	35	36%	0.358	18%	0.184	S	C	.	.	H	α-helix	trans	-60.9	-52.9	170.9	178.8	55.1	0	0	0	111	N651 W657 I658 Q659 K727	N651-D655 PolarHBondContact O-N 3.38Å; D655-W657 VanDerWaalsContact C-N 3.26Å; D655-W657 PolarHBondContact O-N 3.06Å; D655-I658 PolarHBondContact O-N 3.39Å; D655-Q659 WeakPolarHBondContact O-CG 3.48Å; D655-Q659 PolarHBondContact O-N 3.02Å; D655-K727 IonicContact OD2-NZ 2.7Å; D655-K727 PolarHBondContact OD2-NZ 3.45Å
656	L	94.6	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-38.1	177.7	179.2	66.9	0	0	0	112.6	L610 M636 V640 E652 F653 Q659 A660	L610-L656 HydrophobicContact CD1-CD2 4.5Å; L610-L656 HydrophobicContact CD2-CD2 4.26Å; M636-L656 HydrophobicContact CB-CD1 4.35Å; M636-L656 HydrophobicContact CB-CD2 3.9Å; M636-L656 HydrophobicContact CE-CD1 3.81Å; M636-L656 HydrophobicContact CE-CD2 3.92Å; M636-L656 HydrophobicContact CE-CG 3.78Å; M636-L656 HydrophobicContact CG-CD1 4.31Å; M636-L656 HydrophobicContact CG-CD2 4.5Å; V640-L656 HydrophobicContact CG1-CB 4.16Å; E652-L656 WeakPolarHBondContact O-CB 3.33Å; E652-L656 PolarHBondContact O-N 2.89Å; E652-L656 VanDerWaalsContact O-N 3.09Å; F653-L656 PolarHBondContact O-N 3.2Å; L656-Q659 PolarHBondContact O-N 3.02Å; L656-A660 VanDerWaalsContact O-CB 3.26Å; L656-A660 WeakPolarHBondContact O-CB 3.26Å; L656-A660 PolarHBondContact O-N 3.45Å
657	W	95.3	Very high	95.1	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-49	177.5	171.1	-112.6	0	0	0	111.8	E586 D587 I590 L614 L619 F653 M654 D655 Q659 A660 K661	E586-W657 HydrophobicContact CG-CH2 4.37Å; E586-W657 HydrophobicContact CG-CZ2 3.89Å; D587-W657 PolarHBondContact OD1-NE1 3.06Å; I590-W657 HydrophobicContact CD1-CD2 3.78Å; I590-W657 HydrophobicContact CD1-CE3 3.43Å; I590-W657 VanDerWaalsContact CD1-CE3 3.43Å; I590-W657 HydrophobicContact CD1-CH2 3.62Å; I590-W657 HydrophobicContact CD1-CZ2 3.93Å; I590-W657 HydrophobicContact CD1-CZ3 3.33Å; I590-W657 HydrophobicContact CG2-CD2 4.21Å; I590-W657 HydrophobicContact CG2-CG 4.36Å; I590-W657 HydrophobicContact CG2-CZ2 4.36Å; L614-W657 HydrophobicContact CD2-CE3 4.01Å; L614-W657 HydrophobicContact CD2-CZ3 4.2Å; L619-W657 HydrophobicContact CD1-CE3 3.88Å; L619-W657 HydrophobicContact CD1-CH2 4.41Å; L619-W657 HydrophobicContact CD1-CZ3 3.45Å; L619-W657 VanDerWaalsContact CD1-CZ3 3.45Å; L619-W657 HydrophobicContact CD2-CZ3 4.47Å; L619-W657 HydrophobicContact CG-CE3 4.42Å; L619-W657 HydrophobicContact CG-CH2 4.1Å; L619-W657 HydrophobicContact CG-CZ3 3.6Å; F653-W657 VanDerWaalsContact O-CB 3.23Å; F653-W657 WeakPolarHBondContact O-CB 3.29Å; F653-W657 PolarHBondContact O-N 3.16Å; M654-W657 PolarHBondContact O-N 3Å; D655-W657 VanDerWaalsContact C-N 3.26Å; D655-W657 PolarHBondContact O-N 3.06Å; W657-Q659 VanDerWaalsContact C-N 3.33Å; W657-Q659 PolarHBondContact O-N 3.15Å; W657-A660 PolarHBondContact O-N 3.31Å; W657-K661 HydrophobicContact CD2-CG 4.31Å; W657-K661 HydrophobicContact CH2-CD 4.47Å; W657-K661 HydrophobicContact CH2-CG 4.32Å; W657-K661 HydrophobicContact CZ2-CD 3.69Å; W657-K661 HydrophobicContact CZ2-CG 3.96Å; W657-K661 WeakPolarHBondContact O-CG 3.39Å; W657-K661 PolarHBondContact O-N 3.2Å
658	I	93.8	Very high	95.2	Very high	70 Å²	70	31.6 Å²	31.6	36%	0.359	16%	0.158	S	C	.	.	H	α-helix	trans	-61.9	-43.3	177.5	-67.3	166	0	0	0	110.6	L577 M654 D655 K661 G662	L577-I658 HydrophobicContact CD1-CG2 4.47Å; M654-I658 WeakPolarHBondContact O-CG1 3.39Å; M654-I658 PolarHBondContact O-N 2.92Å; M654-I658 VanDerWaalsContact O-N 3.08Å; D655-I658 PolarHBondContact O-N 3.39Å; I658-K661 PolarHBondContact O-N 2.86Å; I658-G662 PolarHBondContact O-N 3.31Å
659	Q	95.3	Very high	95.1	Very high	36 Å²	36	36.5 Å²	36.5	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-47	176.2	-66.4	-63.9	-32.3	0	0	111.7	D655 L656 W657 K661 G662 W663	D655-Q659 WeakPolarHBondContact O-CG 3.48Å; D655-Q659 PolarHBondContact O-N 3.02Å; L656-Q659 PolarHBondContact O-N 3.02Å; W657-Q659 VanDerWaalsContact C-N 3.33Å; W657-Q659 PolarHBondContact O-N 3.15Å; Q659-K661 VanDerWaalsContact C-N 3.34Å; Q659-K661 PolarHBondContact O-N 3.02Å; Q659-G662 PolarHBondContact O-N 2.91Å; Q659-G662 VanDerWaalsContact O-N 3.11Å; Q659-W663 HydrophobicContact CB-CH2 3.95Å; Q659-W663 HydrophobicContact CB-CZ2 3.82Å; Q659-W663 HydrophobicContact CB-CZ3 4.36Å; Q659-W663 HydrophobicContact CG-CZ2 4.49Å; Q659-W663 VanDerWaalsContact O-CG 3.27Å; Q659-W663 PolarHBondContact O-N 2.88Å
660	A	96.2	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-40.2	179.4	0	0	0	0	0	112.5	L619 M636 L656 W657 W663 K664 M720	L619-A660 HydrophobicContact CD1-CB 3.83Å; L619-A660 HydrophobicContact CD2-CB 4.42Å; M636-A660 HydrophobicContact CE-CB 4.27Å; L656-A660 VanDerWaalsContact O-CB 3.26Å; L656-A660 WeakPolarHBondContact O-CB 3.26Å; L656-A660 PolarHBondContact O-N 3.45Å; W657-A660 PolarHBondContact O-N 3.31Å; A660-W663 PolarHBondContact O-N 2.86Å; A660-K664 WeakPolarHBondContact O-CB 3.28Å; A660-K664 PolarHBondContact O-N 2.89Å; A660-M720 HydrophobicContact CB-CE 3.75Å
661	K	95.9	Very high	95	Very high	14 Å²	14	31.9 Å²	31.9	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-44	172.1	-72.5	-165.1	-63.2	177.4	0	111.6	L577 D587 L619 W657 I658 Q659 W663 K664 H665	L577-K661 HydrophobicContact CD1-CB 4.13Å; L577-K661 HydrophobicContact CD2-CB 3.81Å; D587-K661 WeakPolarHBondContact OD1-CE 3.49Å; D587-K661 IonicContact OD1-NZ 2.93Å; D587-K661 PolarHBondContact OD1-NZ 3.16Å; D587-K661 IonicContact OD2-NZ 3.22Å; D587-K661 PolarHBondContact OD2-NZ 2.71Å; L619-K661 HydrophobicContact CD2-CG 4.31Å; W657-K661 HydrophobicContact CD2-CG 4.31Å; W657-K661 HydrophobicContact CH2-CD 4.47Å; W657-K661 HydrophobicContact CH2-CG 4.32Å; W657-K661 HydrophobicContact CZ2-CD 3.69Å; W657-K661 HydrophobicContact CZ2-CG 3.96Å; W657-K661 WeakPolarHBondContact O-CG 3.39Å; W657-K661 PolarHBondContact O-N 3.2Å; I658-K661 PolarHBondContact O-N 2.86Å; Q659-K661 VanDerWaalsContact C-N 3.34Å; Q659-K661 PolarHBondContact O-N 3.02Å; K661-W663 PolarHBondContact O-N 2.8Å; K661-K664 WeakPolarHBondContact O-CB 3.4Å; K661-K664 PolarHBondContact O-N 2.88Å; K661-H665 WeakPolarHBondContact O-CB 3.13Å; K661-H665 PolarHBondContact O-N 3.06Å
662	G	96.6	Very high	94.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-44.8	177.1	0	0	0	0	0	112.8	I658 Q659 H665 I666	I658-G662 PolarHBondContact O-N 3.31Å; Q659-G662 PolarHBondContact O-N 2.91Å; Q659-G662 VanDerWaalsContact O-N 3.11Å; G662-H665 WeakPolarHBondContact O-CB 3.32Å; G662-H665 PolarHBondContact O-N 3.16Å; G662-I666 VanDerWaalsContact O-CG1 3.3Å; G662-I666 WeakPolarHBondContact O-CG1 3.2Å; G662-I666 PolarHBondContact O-N 3.32Å
663	W	97.2	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-39.6	175.8	-56.3	-27.5	0	0	0	112.2	Q659 A660 K661 H665 I666 F667 F719 M720 M723 V724 K727	Q659-W663 HydrophobicContact CB-CH2 3.95Å; Q659-W663 HydrophobicContact CB-CZ2 3.82Å; Q659-W663 HydrophobicContact CB-CZ3 4.36Å; Q659-W663 HydrophobicContact CG-CZ2 4.49Å; Q659-W663 VanDerWaalsContact O-CG 3.27Å; Q659-W663 PolarHBondContact O-N 2.88Å; A660-W663 PolarHBondContact O-N 2.86Å; K661-W663 PolarHBondContact O-N 2.8Å; W663-H665 PolarHBondContact O-N 2.78Å; W663-I666 PolarHBondContact O-N 2.86Å; W663-F667 WeakPolarHBondContact O-CB 3.5Å; W663-F667 PolarHBondContact O-N 3.11Å; W663-F719 HydrophobicContact CB-CE1 3.9Å; W663-F719 HydrophobicContact CB-CZ 4.32Å; W663-F719 WeakPolarHBondContact O-CE1 3.33Å; W663-M720 HydrophobicContact CB-SD 3.8Å; W663-M720 HydrophobicContact CE3-CE 3.96Å; W663-M720 HydrophobicContact CE3-SD 4.11Å; W663-M723 HydrophobicContact CB-CG 4.36Å; W663-M723 VanDerWaalsContact CD1-CE 3.41Å; W663-M723 HydrophobicContact CD2-CB 3.51Å; W663-M723 HydrophobicContact CD2-CE 4.26Å; W663-M723 HydrophobicContact CD2-CG 4Å; W663-M723 HydrophobicContact CE3-CB 3.58Å; W663-M723 HydrophobicContact CE3-CG 4.38Å; W663-M723 HydrophobicContact CG-CB 4.05Å; W663-M723 HydrophobicContact CG-CE 3.95Å; W663-M723 HydrophobicContact CG-CG 3.99Å; W663-M723 HydrophobicContact CH2-CB 4.09Å; W663-M723 HydrophobicContact CZ2-CB 4.03Å; W663-M723 HydrophobicContact CZ3-CB 3.89Å; W663-V724 HydrophobicContact CH2-CG2 4.19Å; W663-V724 HydrophobicContact CZ3-CG2 3.61Å; W663-K727 HydrophobicContact CH2-CB 4.29Å; W663-K727 HydrophobicContact CH2-CD 4.03Å; W663-K727 HydrophobicContact CZ2-CB 4.28Å; W663-K727 HydrophobicContact CZ2-CD 4.26Å
664	K	96	Very high	94.1	Very high	17 Å²	17	43.5 Å²	43.5	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-46.9	171.4	-177.7	-160.8	170.2	-171.3	0	111.6	T618 L619 I622 A660 K661 I666 F667 I668 F716	T618-K664 WeakPolarHBondContact O-CE 3.33Å; T618-K664 PolarHBondContact O-NZ 2.95Å; L619-K664 HydrophobicContact CD2-CB 3.98Å; L619-K664 HydrophobicContact CD2-CD 3.84Å; L619-K664 HydrophobicContact CD2-CG 4.41Å; I622-K664 HydrophobicContact CD1-CG 3.87Å; I622-K664 HydrophobicContact CG1-CG 4.23Å; A660-K664 WeakPolarHBondContact O-CB 3.28Å; A660-K664 PolarHBondContact O-N 2.89Å; K661-K664 WeakPolarHBondContact O-CB 3.4Å; K661-K664 PolarHBondContact O-N 2.88Å; K664-I666 VanDerWaalsContact C-N 3.32Å; K664-I666 PolarHBondContact O-N 3.44Å; K664-F667 WeakPolarHBondContact O-CB 3.41Å; K664-F667 PolarHBondContact O-N 3.13Å; K664-F667 VanDerWaalsContact O-N 3.15Å; K664-I668 HydrophobicContact CG-CD1 4.11Å; K664-I668 WeakPolarHBondContact O-CG1 3.46Å; K664-I668 PolarHBondContact O-N 3.26Å; K664-F716 HydrophobicContact CB-CE2 4.36Å; K664-F716 HydrophobicContact CB-CZ 4.18Å; K664-F716 HydrophobicContact CG-CZ 4.27Å
665	H	95.2	Very high	93.9	Very high	67 Å²	67	43.3 Å²	43.3	31%	0.31	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-46.2	178.1	179.9	90.9	0	0	0	111.4	L577 K661 G662 W663 F667 I668 K669	L577-H665 HydrophobicContact CD2-CB 4.23Å; K661-H665 WeakPolarHBondContact O-CB 3.13Å; K661-H665 PolarHBondContact O-N 3.06Å; G662-H665 WeakPolarHBondContact O-CB 3.32Å; G662-H665 PolarHBondContact O-N 3.16Å; W663-H665 PolarHBondContact O-N 2.78Å; H665-F667 VanDerWaalsContact C-N 3.33Å; H665-F667 PolarHBondContact O-N 2.96Å; H665-I668 PolarHBondContact O-N 3.1Å; H665-K669 PolarHBondContact O-N 2.73Å
666	I	96.6	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-38.6	176.5	-67.1	165.5	0	0	0	111	L569 V573 G662 W663 K664 K669 H670 A686 D689 A690	L569-I666 HydrophobicContact CD2-CD1 3.75Å; V573-I666 HydrophobicContact CG1-CG1 4.48Å; V573-I666 HydrophobicContact CG2-CD1 4.36Å; V573-I666 HydrophobicContact CG2-CG1 4.21Å; G662-I666 VanDerWaalsContact O-CG1 3.3Å; G662-I666 WeakPolarHBondContact O-CG1 3.2Å; G662-I666 PolarHBondContact O-N 3.32Å; W663-I666 PolarHBondContact O-N 2.86Å; K664-I666 VanDerWaalsContact C-N 3.32Å; K664-I666 PolarHBondContact O-N 3.44Å; I666-K669 WeakPolarHBondContact O-CB 3.42Å; I666-K669 PolarHBondContact O-N 2.98Å; I666-H670 PolarHBondContact O-CD2 3.47Å; I666-H670 PolarHBondContact O-N 3.36Å; I666-A686 HydrophobicContact CG2-CB 3.89Å; I666-D689 WeakPolarHBondContact CD1-O 3.25Å; I666-D689 HydrophobicContact CG2-CB 4.04Å; I666-A690 VanDerWaalsContact CD1-CA 3.48Å; I666-A690 HydrophobicContact CD1-CB 3.64Å
667	F	95.9	Very high	93.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-52.3	175.9	-169.2	-87.9	0	0	0	111.5	I622 W663 K664 H665 K669 H670 D671 F678 F716 F719	I622-F667 HydrophobicContact CD1-CD1 4.39Å; I622-F667 HydrophobicContact CG2-CD1 4.47Å; I622-F667 HydrophobicContact CG2-CE1 4.19Å; W663-F667 WeakPolarHBondContact O-CB 3.5Å; W663-F667 PolarHBondContact O-N 3.11Å; K664-F667 WeakPolarHBondContact O-CB 3.41Å; K664-F667 PolarHBondContact O-N 3.13Å; K664-F667 VanDerWaalsContact O-N 3.15Å; H665-F667 VanDerWaalsContact C-N 3.33Å; H665-F667 PolarHBondContact O-N 2.96Å; F667-K669 VanDerWaalsContact C-N 3.25Å; F667-K669 PolarHBondContact O-N 2.86Å; F667-H670 PolarHBondContact O-N 3.46Å; F667-H670 VanDerWaalsContact O-N 3.15Å; F667-D671 HydrophobicContact CD1-CB 4.11Å; F667-D671 HydrophobicContact CE1-CB 3.83Å; F667-D671 HydrophobicContact CZ-CB 4.47Å; F667-D671 WeakPolarHBondContact O-CB 3.23Å; F667-D671 PolarHBondContact O-N 3.41Å; F667-F678 HydrophobicContact CB-CZ 4.24Å; F667-F678 HydrophobicContact CD2-CD1 4.27Å; F667-F678 AromaticContact CD2-CD2 3.87Å; F667-F678 HydrophobicContact CD2-CD2 3.87Å; F667-F678 AromaticContact CD2-CE1 3.81Å; F667-F678 HydrophobicContact CD2-CE1 3.81Å; F667-F678 AromaticContact CD2-CE2 3.39Å; F667-F678 HydrophobicContact CD2-CE2 3.39Å; F667-F678 HydrophobicContact CD2-CG 4.33Å; F667-F678 AromaticContact CD2-CZ 3.41Å; F667-F678 HydrophobicContact CD2-CZ 3.41Å; F667-F678 VanDerWaalsContact CD2-CZ 3.41Å; F667-F678 AromaticContact CE2-CD1 3.91Å; F667-F678 HydrophobicContact CE2-CD1 3.91Å; F667-F678 AromaticContact CE2-CD2 3.71Å; F667-F678 HydrophobicContact CE2-CD2 3.71Å; F667-F678 AromaticContact CE2-CE1 3.91Å; F667-F678 HydrophobicContact CE2-CE1 3.91Å; F667-F678 AromaticContact CE2-CE2 3.75Å; F667-F678 HydrophobicContact CE2-CE2 3.75Å; F667-F678 AromaticContact CE2-CG 3.85Å; F667-F678 HydrophobicContact CE2-CG 3.85Å; F667-F678 AromaticContact CE2-CZ 3.9Å; F667-F678 HydrophobicContact CE2-CZ 3.9Å; F667-F678 HydrophobicContact CG-CE1 4.19Å; F667-F678 HydrophobicContact CG-CE2 4.31Å; F667-F678 AromaticContact CG-CZ 3.91Å; F667-F678 HydrophobicContact CG-CZ 3.91Å; F667-F678 HydrophobicContact CZ-CD1 4.25Å; F667-F678 HydrophobicContact CZ-CE1 4.35Å; F667-F678 HydrophobicContact CZ-CG 4.5Å; F667-F678 WeakPolarHBondContact O-CE1 3.34Å; F667-F716 HydrophobicContact CB-CD2 3.92Å; F667-F716 HydrophobicContact CB-CE2 3.95Å; F667-F716 AromaticContact CD1-CD2 3.77Å; F667-F716 HydrophobicContact CD1-CD2 3.77Å; F667-F716 HydrophobicContact CD1-CE2 4.46Å; F667-F716 AromaticContact CD2-CD2 3.64Å; F667-F716 HydrophobicContact CD2-CD2 3.64Å; F667-F716 HydrophobicContact CD2-CE2 4.43Å; F667-F716 HydrophobicContact CE1-CB 4.11Å; F667-F716 HydrophobicContact CE1-CD2 4.18Å; F667-F716 HydrophobicContact CE2-CB 4.03Å; F667-F716 HydrophobicContact CE2-CD2 4.03Å; F667-F716 AromaticContact CG-CD2 3.48Å; F667-F716 HydrophobicContact CG-CD2 3.48Å; F667-F716 VanDerWaalsContact CG-CD2 3.48Å; F667-F716 HydrophobicContact CG-CE2 4.03Å; F667-F716 HydrophobicContact CZ-CB 3.82Å; F667-F716 HydrophobicContact CZ-CD2 4.29Å; F667-F719 HydrophobicContact CB-CD1 4.27Å; F667-F719 HydrophobicContact CB-CE1 4.05Å; F667-F719 HydrophobicContact CD2-CB 4.17Å; F667-F719 AromaticContact CD2-CD1 3.59Å; F667-F719 HydrophobicContact CD2-CD1 3.59Å; F667-F719 HydrophobicContact CD2-CE1 4.13Å; F667-F719 AromaticContact CD2-CG 3.91Å; F667-F719 HydrophobicContact CD2-CG 3.91Å; F667-F719 HydrophobicContact CE2-CB 4.21Å; F667-F719 HydrophobicContact CE2-CD1 4.44Å; F667-F719 HydrophobicContact CE2-CG 4.42Å; F667-F719 HydrophobicContact CG-CD1 4.36Å
668	I	94.3	Very high	93.8	Very high	91 Å²	91	43.3 Å²	43.3	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-60.8	-35.7	178.6	-66.5	168.6	0	0	0	111.6	I622 K664 H665 H670	I622-I668 HydrophobicContact CD1-CD1 3.82Å; I622-I668 HydrophobicContact CD1-CG1 3.63Å; K664-I668 HydrophobicContact CG-CD1 4.11Å; K664-I668 WeakPolarHBondContact O-CG1 3.46Å; K664-I668 PolarHBondContact O-N 3.26Å; H665-I668 PolarHBondContact O-N 3.1Å; I668-H670 VanDerWaalsContact C-N 3.31Å; I668-H670 PolarHBondContact O-N 2.87Å
669	K	93.8	Very high	93.6	Very high	102 Å²	102	41.8 Å²	41.8	44%	0.443	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-37.9	177.7	-178.2	-173.5	177.9	-171.9	0	112.5	H665 I666 F667 D689	H665-K669 PolarHBondContact O-N 2.73Å; I666-K669 WeakPolarHBondContact O-CB 3.42Å; I666-K669 PolarHBondContact O-N 2.98Å; F667-K669 VanDerWaalsContact C-N 3.25Å; F667-K669 PolarHBondContact O-N 2.86Å; K669-D689 WeakPolarHBondContact CE-OD2 3.26Å; K669-D689 IonicContact NZ-OD2 3.04Å; K669-D689 PolarHBondContact NZ-OD2 2.85Å
670	H	93	Very high	93.3	Very high	23 Å²	23	40.1 Å²	40.1	11%	0.106	21%	0.206	C	C	.	.	H	α-helix	trans	-98	-22	-175.8	-71.9	-76.4	0	0	0	113.9	I666 F667 I668 V672 F678 D689	I666-H670 PolarHBondContact O-CD2 3.47Å; I666-H670 PolarHBondContact O-N 3.36Å; F667-H670 PolarHBondContact O-N 3.46Å; F667-H670 VanDerWaalsContact O-N 3.15Å; I668-H670 VanDerWaalsContact C-N 3.31Å; I668-H670 PolarHBondContact O-N 2.87Å; H670-V672 PolarHBondContact O-N 3.15Å; H670-F678 HydrophobicContact CB-CD1 4.48Å; H670-F678 HydrophobicContact CB-CE1 3.51Å; H670-F678 HydrophobicContact CB-CZ 3.68Å; H670-D689 IonicContact CD2-OD2 2.93Å; H670-D689 IonicContact CE1-OD2 3.59Å; H670-D689 PolarHBondContact CE1-OD2 3.15Å; H670-D689 IonicContact NE2-OD2 3.92Å; H670-D689 PolarHBondContact NE2-OD2 2.89Å
671	D	92.7	Very high	92.9	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.043	21%	0.211	C	C	.	.			trans	-80.4	61.4	174	-176.4	30.1	0	0	0	110.2	F667 D673 Q674 S675 G676 F678	F667-D671 HydrophobicContact CD1-CB 4.11Å; F667-D671 HydrophobicContact CE1-CB 3.83Å; F667-D671 HydrophobicContact CZ-CB 4.47Å; F667-D671 WeakPolarHBondContact O-CB 3.23Å; F667-D671 PolarHBondContact O-N 3.41Å; D671-D673 PolarHBondContact O-N 3.25Å; D671-Q674 PolarHBondContact O-N 2.73Å; D671-Q674 WeakPolarHBondContact OD2-CA 3.31Å; D671-S675 PolarHBondContact OD1-N 2.79Å; D671-S675 PolarHBondContact OD1-OG 3.13Å; D671-S675 PolarHBondContact OD2-N 3.39Å; D671-G676 PolarHBondContact OD1-N 3.36Å; D671-G676 WeakPolarHBondContact OD2-CA 3.31Å; D671-G676 PolarHBondContact OD2-N 3.38Å; D671-F678 HydrophobicContact CB-CD1 4.41Å; D671-F678 HydrophobicContact CB-CE1 4.1Å
672	V	86.5	Confident	92.7	Very high	118 Å²	118	43.5 Å²	43.5	72%	0.715	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.7	-171.8	179.8	0	0	0	0	112	H670 Q674	H670-V672 PolarHBondContact O-N 3.15Å; V672-Q674 VanDerWaalsContact C-N 3.29Å
673	D	88.9	Confident	92.5	Very high	112 Å²	112	43.5 Å²	43.5	60%	0.599	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.6	177.1	76.6	-10	0	0	0	113.7	D671 S675	D671-D673 PolarHBondContact O-N 3.25Å; D673-S675 PolarHBondContact O-N 2.71Å; D673-S675 WeakPolarHBondContact OD1-CB 3.44Å; D673-S675 PolarHBondContact OD1-N 2.9Å; D673-S675 VanDerWaalsContact OD1-N 3.09Å; D673-S675 PolarHBondContact OD1-OG 2.59Å
674	Q	90.1	Very high	92.3	Very high	151 Å²	151	43.7 Å²	43.7	71%	0.706	22%	0.221	S	C	*	.			trans	54.9	33.4	179.9	-56.5	-179.4	3.2	0	0	112.7	D671 V672 G676	D671-Q674 PolarHBondContact O-N 2.73Å; D671-Q674 WeakPolarHBondContact OD2-CA 3.31Å; V672-Q674 VanDerWaalsContact C-N 3.29Å; Q674-G676 PolarHBondContact O-N 3.38Å
675	S	90.6	Very high	92.1	Very high	32 Å²	32	44.7 Å²	44.7	22%	0.224	23%	0.226	C	C	.	.			trans	-73.8	-21	-179.3	69.4	0	0	0	0	112.2	N624 D671 D673 Y677	N624-S675 PolarHBondContact ND2-O 2.64Å; D671-S675 PolarHBondContact OD1-N 2.79Å; D671-S675 PolarHBondContact OD1-OG 3.13Å; D671-S675 PolarHBondContact OD2-N 3.39Å; D673-S675 PolarHBondContact O-N 2.71Å; D673-S675 WeakPolarHBondContact OD1-CB 3.44Å; D673-S675 PolarHBondContact OD1-N 2.9Å; D673-S675 VanDerWaalsContact OD1-N 3.09Å; D673-S675 PolarHBondContact OD1-OG 2.59Å; S675-Y677 VanDerWaalsContact C-N 3.3Å; S675-Y677 WeakPolarHBondContact O-CD2 3.48Å; S675-Y677 WeakPolarHBondContact O-CE2 3.27Å; S675-Y677 PolarHBondContact OG-N 2.7Å; S675-Y677 VanDerWaalsContact OG-N 3.14Å; S675-Y677 PolarHBondContact OG-O 3.4Å; S675-Y677 VanDerWaalsContact OG-O 3.14Å
676	G	92.2	Very high	92	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	79.6	13.2	-168.3	0	0	0	0	0	113.1	D671 Q674 F716	D671-G676 PolarHBondContact OD1-N 3.36Å; D671-G676 WeakPolarHBondContact OD2-CA 3.31Å; D671-G676 PolarHBondContact OD2-N 3.38Å; Q674-G676 PolarHBondContact O-N 3.38Å; G676-F716 PolarHBondContact O-N 2.95Å
677	Y	94.2	Very high	92	Very high	63 Å²	63	41.5 Å²	41.5	25%	0.247	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.6	-178.8	-57.4	-90.2	0	0	0	111.2	S675 K713 I714	S675-Y677 VanDerWaalsContact C-N 3.3Å; S675-Y677 WeakPolarHBondContact O-CD2 3.48Å; S675-Y677 WeakPolarHBondContact O-CE2 3.27Å; S675-Y677 PolarHBondContact OG-N 2.7Å; S675-Y677 VanDerWaalsContact OG-N 3.14Å; S675-Y677 PolarHBondContact OG-O 3.4Å; S675-Y677 VanDerWaalsContact OG-O 3.14Å; Y677-K713 HydrophobicContact CD1-CB 3.8Å; Y677-K713 HydrophobicContact CD1-CD 4.09Å; Y677-K713 HydrophobicContact CD1-CG 4.47Å; Y677-K713 HydrophobicContact CD2-CD 4.31Å; Y677-K713 HydrophobicContact CG-CB 4.15Å; Y677-K713 HydrophobicContact CG-CD 3.99Å; Y677-K713 HydrophobicContact CG-CG 4.42Å; Y677-I714 CarbonylContact C-O 3.57Å; Y677-I714 VanDerWaalsContact CA-O 3.31Å; Y677-I714 WeakPolarHBondContact CA-O 3.49Å
678	F	94.4	Very high	91.9	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.2	165.7	-72.9	-25.1	0	0	0	111.8	F667 H670 D671 E682 F683 A686 K713 I714 F719	F667-F678 HydrophobicContact CB-CZ 4.24Å; F667-F678 HydrophobicContact CD2-CD1 4.27Å; F667-F678 AromaticContact CD2-CD2 3.87Å; F667-F678 HydrophobicContact CD2-CD2 3.87Å; F667-F678 AromaticContact CD2-CE1 3.81Å; F667-F678 HydrophobicContact CD2-CE1 3.81Å; F667-F678 AromaticContact CD2-CE2 3.39Å; F667-F678 HydrophobicContact CD2-CE2 3.39Å; F667-F678 HydrophobicContact CD2-CG 4.33Å; F667-F678 AromaticContact CD2-CZ 3.41Å; F667-F678 HydrophobicContact CD2-CZ 3.41Å; F667-F678 VanDerWaalsContact CD2-CZ 3.41Å; F667-F678 AromaticContact CE2-CD1 3.91Å; F667-F678 HydrophobicContact CE2-CD1 3.91Å; F667-F678 AromaticContact CE2-CD2 3.71Å; F667-F678 HydrophobicContact CE2-CD2 3.71Å; F667-F678 AromaticContact CE2-CE1 3.91Å; F667-F678 HydrophobicContact CE2-CE1 3.91Å; F667-F678 AromaticContact CE2-CE2 3.75Å; F667-F678 HydrophobicContact CE2-CE2 3.75Å; F667-F678 AromaticContact CE2-CG 3.85Å; F667-F678 HydrophobicContact CE2-CG 3.85Å; F667-F678 AromaticContact CE2-CZ 3.9Å; F667-F678 HydrophobicContact CE2-CZ 3.9Å; F667-F678 HydrophobicContact CG-CE1 4.19Å; F667-F678 HydrophobicContact CG-CE2 4.31Å; F667-F678 AromaticContact CG-CZ 3.91Å; F667-F678 HydrophobicContact CG-CZ 3.91Å; F667-F678 HydrophobicContact CZ-CD1 4.25Å; F667-F678 HydrophobicContact CZ-CE1 4.35Å; F667-F678 HydrophobicContact CZ-CG 4.5Å; F667-F678 WeakPolarHBondContact O-CE1 3.34Å; H670-F678 HydrophobicContact CB-CD1 4.48Å; H670-F678 HydrophobicContact CB-CE1 3.51Å; H670-F678 HydrophobicContact CB-CZ 3.68Å; D671-F678 HydrophobicContact CB-CD1 4.41Å; D671-F678 HydrophobicContact CB-CE1 4.1Å; F678-E682 HydrophobicContact CB-CB 4.14Å; F678-E682 HydrophobicContact CD1-CB 3.85Å; F678-E682 HydrophobicContact CE1-CB 4.39Å; F678-E682 HydrophobicContact CG-CB 4.11Å; F678-F683 HydrophobicContact CB-CB 3.99Å; F678-F683 HydrophobicContact CD2-CB 4.02Å; F678-F683 HydrophobicContact CD2-CD2 4.02Å; F678-F683 HydrophobicContact CG-CB 4.42Å; F678-A686 HydrophobicContact CD2-CB 4.37Å; F678-A686 HydrophobicContact CE2-CB 3.4Å; F678-A686 VanDerWaalsContact CE2-CB 3.4Å; F678-A686 HydrophobicContact CZ-CB 3.6Å; F678-K713 CarbonylContact O-C 3.47Å; F678-K713 WeakPolarHBondContact O-CA 3.43Å; F678-I714 HydrophobicContact CB-CB 4.32Å; F678-I714 PolarHBondContact N-O 3.38Å; F678-I714 PolarHBondContact O-N 2.99Å; F678-F719 HydrophobicContact CD2-CD2 4.12Å; F678-F719 HydrophobicContact CD2-CG 4.4Å; F678-F719 AromaticContact CE2-CD2 3.75Å; F678-F719 HydrophobicContact CE2-CD2 3.75Å; F678-F719 AromaticContact CE2-CE2 3.92Å; F678-F719 HydrophobicContact CE2-CE2 3.92Å; F678-F719 HydrophobicContact CE2-CG 4.08Å; F678-F719 HydrophobicContact CE2-CZ 4.38Å
679	S	89.9	Confident	91.8	Very high	38 Å²	38	41 Å²	41	27%	0.266	21%	0.209	S	C	.	.			trans	-67.7	161.3	150.1	67.8	0	0	0	0	110.5	Y681 E682 F683 D712	S679-Y681 PolarHBondContact O-N 3.18Å; S679-Y681 VanDerWaalsContact O-N 3.11Å; S679-E682 VanDerWaalsContact CB-OE2 3.24Å; S679-E682 WeakPolarHBondContact CB-OE2 3.48Å; S679-E682 PolarHBondContact N-OE2 2.92Å; S679-E682 PolarHBondContact O-N 3.22Å; S679-E682 VanDerWaalsContact OG-CD 3.28Å; S679-E682 WeakPolarHBondContact OG-CG 3.32Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE2 3.14Å; S679-F683 WeakPolarHBondContact O-CB 3.5Å; S679-F683 PolarHBondContact O-N 3.22Å; S679-D712 WeakPolarHBondContact CA-O 3.44Å
680	A	88.7	Confident	91.9	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-29	176.2	0	0	0	0	0	113.9	N425 R684 I703	N425-A680 HydrophobicContact CB-CB 3.45Å; N425-A680 VanDerWaalsContact CB-CB 3.45Å; A680-R684 PolarHBondContact O-N 3.26Å; A680-R684 VanDerWaalsContact O-N 3.1Å; A680-I703 HydrophobicContact CB-CD1 3.74Å; A680-I703 HydrophobicContact CB-CG1 4.48Å
681	Y	87.3	Confident	92	Very high	31 Å²	31	35.2 Å²	35.2	12%	0.122	19%	0.185	C	C	.	.	H	α-helix	trans	-76.4	-46.5	178.9	-63	-72.1	0	0	0	112.1	A428 T437 T440 N540 S679 F683 R684 E685	A428-Y681 PolarHBondContact O-OH 2.88Å; T437-Y681 HydrophobicContact CG2-CD1 3.38Å; T437-Y681 HydrophobicContact CG2-CD2 3.53Å; T437-Y681 HydrophobicContact CG2-CE1 3.43Å; T437-Y681 VanDerWaalsContact CG2-CE1 3.43Å; T437-Y681 HydrophobicContact CG2-CE2 3.61Å; T437-Y681 HydrophobicContact CG2-CG 3.42Å; T437-Y681 VanDerWaalsContact CG2-CG 3.42Å; T440-Y681 HydrophobicContact CG2-CD1 4.33Å; T440-Y681 HydrophobicContact CG2-CE1 4.46Å; N540-Y681 PolarHBondContact OD1-OH 2.88Å; S679-Y681 PolarHBondContact O-N 3.18Å; S679-Y681 VanDerWaalsContact O-N 3.11Å; Y681-F683 PolarHBondContact O-N 3.33Å; Y681-R684 PolarHBondContact O-N 3.02Å; Y681-R684 VanDerWaalsContact O-N 3.16Å; Y681-E685 PolarHBondContact O-N 2.73Å
682	E	91.9	Very high	92.2	Very high	53 Å²	53	35 Å²	35	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-40.5	172.9	-72.6	154.4	159.2	0	0	110.5	F678 S679 R684 E685 A686	F678-E682 HydrophobicContact CB-CB 4.14Å; F678-E682 HydrophobicContact CD1-CB 3.85Å; F678-E682 HydrophobicContact CE1-CB 4.39Å; F678-E682 HydrophobicContact CG-CB 4.11Å; S679-E682 VanDerWaalsContact CB-OE2 3.24Å; S679-E682 WeakPolarHBondContact CB-OE2 3.48Å; S679-E682 PolarHBondContact N-OE2 2.92Å; S679-E682 PolarHBondContact O-N 3.22Å; S679-E682 VanDerWaalsContact OG-CD 3.28Å; S679-E682 WeakPolarHBondContact OG-CG 3.32Å; S679-E682 PolarHBondContact OG-N 3.09Å; S679-E682 PolarHBondContact OG-OE2 3.14Å; E682-R684 PolarHBondContact O-N 2.9Å; E682-E685 PolarHBondContact O-N 3.34Å; E682-A686 VanDerWaalsContact O-CB 3.26Å; E682-A686 WeakPolarHBondContact O-CB 3.31Å; E682-A686 PolarHBondContact O-N 2.88Å
683	F	93.9	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-43.2	175.2	-179.9	-93.2	0	0	0	112.2	F678 S679 Y681 A686 L687 I699 I702 I703 I714 F719 C722	F678-F683 HydrophobicContact CB-CB 3.99Å; F678-F683 HydrophobicContact CD2-CB 4.02Å; F678-F683 HydrophobicContact CD2-CD2 4.02Å; F678-F683 HydrophobicContact CG-CB 4.42Å; S679-F683 WeakPolarHBondContact O-CB 3.5Å; S679-F683 PolarHBondContact O-N 3.22Å; Y681-F683 PolarHBondContact O-N 3.33Å; F683-A686 PolarHBondContact O-N 2.82Å; F683-L687 HydrophobicContact CD1-CD1 4.12Å; F683-L687 HydrophobicContact CD1-CG 4.36Å; F683-L687 HydrophobicContact CE1-CD1 3.55Å; F683-L687 HydrophobicContact CE1-CD2 4.43Å; F683-L687 HydrophobicContact CE1-CG 3.98Å; F683-L687 HydrophobicContact CZ-CD1 4.14Å; F683-L687 HydrophobicContact CZ-CD2 4.23Å; F683-L687 HydrophobicContact CZ-CG 4.25Å; F683-L687 WeakPolarHBondContact O-CG 3.46Å; F683-L687 PolarHBondContact O-N 2.93Å; F683-I699 HydrophobicContact CD1-CD1 4.37Å; F683-I699 HydrophobicContact CE1-CD1 4.25Å; F683-I702 HydrophobicContact CE1-CG2 3.31Å; F683-I702 HydrophobicContact CZ-CG2 3.45Å; F683-I702 VanDerWaalsContact CZ-CG2 3.45Å; F683-I703 HydrophobicContact CD1-CD1 3.78Å; F683-I703 HydrophobicContact CE1-CD1 4.27Å; F683-I714 HydrophobicContact CB-CD1 3.64Å; F683-I714 HydrophobicContact CD1-CD1 3.96Å; F683-I714 HydrophobicContact CD2-CB 4.39Å; F683-I714 HydrophobicContact CD2-CD1 3.76Å; F683-I714 HydrophobicContact CD2-CG2 3.79Å; F683-I714 HydrophobicContact CE2-CD1 4.42Å; F683-I714 HydrophobicContact CE2-CG2 4.03Å; F683-I714 HydrophobicContact CG-CD1 3.5Å; F683-F719 AromaticContact CD2-CD2 3.86Å; F683-F719 HydrophobicContact CD2-CD2 3.86Å; F683-F719 HydrophobicContact CE2-CB 4.37Å; F683-F719 AromaticContact CE2-CD2 3.73Å; F683-F719 HydrophobicContact CE2-CD2 3.73Å; F683-C722 HydrophobicContact CE2-CB 4.39Å; F683-C722 HydrophobicContact CZ-CB 4.1Å
684	R	92.1	Very high	92.8	Very high	5 Å²	5	26 Å²	26	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-67.3	-39.3	176.5	-169.6	175.9	-174.4	151.8	4.4	112.4	V426 W439 A680 Y681 E682 L687 N688 N696 I699	V426-R684 PolarHBondContact O-NH1 3.41Å; W439-R684 HydrophobicContact CH2-CG 4.14Å; A680-R684 PolarHBondContact O-N 3.26Å; A680-R684 VanDerWaalsContact O-N 3.1Å; Y681-R684 PolarHBondContact O-N 3.02Å; Y681-R684 VanDerWaalsContact O-N 3.16Å; E682-R684 PolarHBondContact O-N 2.9Å; R684-L687 PolarHBondContact O-N 2.89Å; R684-N688 PolarHBondContact O-N 3.43Å; R684-N696 PolarHBondContact NH1-OD1 2.97Å; R684-N696 PolarHBondContact NH2-OD1 3.48Å; R684-I699 HydrophobicContact CB-CD1 4.37Å; R684-I699 HydrophobicContact CG-CD1 4.23Å; R684-I699 HydrophobicContact CG-CG1 4.41Å
685	E	91	Very high	92.9	Very high	38 Å²	38	19.6 Å²	19.6	18%	0.178	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-40.1	174.2	-68.6	-164.6	123.9	0	0	111.2	W439 R499 Y681 E682 L687 N688 D689	W439-E685 HydrophobicContact CZ2-CG 4.2Å; R499-E685 VanDerWaalsContact CD-OE1 3.24Å; R499-E685 WeakPolarHBondContact CD-OE1 3.49Å; R499-E685 IonicContact CZ-OE1 3.76Å; R499-E685 IonicContact NE-OE1 2.85Å; R499-E685 VanDerWaalsContact NH1-CD 3.31Å; R499-E685 IonicContact NH1-OE1 2.66Å; R499-E685 PolarHBondContact NH1-OE1 2.84Å; R499-E685 IonicContact NH1-OE2 2.9Å; R499-E685 PolarHBondContact NH1-OE2 2.76Å; Y681-E685 PolarHBondContact O-N 2.73Å; E682-E685 PolarHBondContact O-N 3.34Å; E685-L687 PolarHBondContact O-N 3.38Å; E685-N688 PolarHBondContact O-N 3.36Å; E685-D689 WeakPolarHBondContact O-CB 3.49Å; E685-D689 PolarHBondContact O-N 2.87Å
686	A	94.9	Very high	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-38.1	175.1	0	0	0	0	0	112.9	I666 F678 E682 F683 D689 A690 F719	I666-A686 HydrophobicContact CG2-CB 3.89Å; F678-A686 HydrophobicContact CD2-CB 4.37Å; F678-A686 HydrophobicContact CE2-CB 3.4Å; F678-A686 VanDerWaalsContact CE2-CB 3.4Å; F678-A686 HydrophobicContact CZ-CB 3.6Å; E682-A686 VanDerWaalsContact O-CB 3.26Å; E682-A686 WeakPolarHBondContact O-CB 3.31Å; E682-A686 PolarHBondContact O-N 2.88Å; F683-A686 PolarHBondContact O-N 2.82Å; A686-D689 PolarHBondContact O-N 3.02Å; A686-A690 VanDerWaalsContact O-CB 3.26Å; A686-A690 WeakPolarHBondContact O-CB 3.47Å; A686-A690 PolarHBondContact O-N 3.34Å; A686-F719 HydrophobicContact CB-CE2 3.99Å; A686-F719 HydrophobicContact CB-CZ 4.41Å
687	L	95.7	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-48.2	172.6	-73.7	-178	0	0	0	111.5	F683 R684 E685 D689 A690 G691 Y692 V694 I699 I702 M723 L726	F683-L687 HydrophobicContact CD1-CD1 4.12Å; F683-L687 HydrophobicContact CD1-CG 4.36Å; F683-L687 HydrophobicContact CE1-CD1 3.55Å; F683-L687 HydrophobicContact CE1-CD2 4.43Å; F683-L687 HydrophobicContact CE1-CG 3.98Å; F683-L687 HydrophobicContact CZ-CD1 4.14Å; F683-L687 HydrophobicContact CZ-CD2 4.23Å; F683-L687 HydrophobicContact CZ-CG 4.25Å; F683-L687 WeakPolarHBondContact O-CG 3.46Å; F683-L687 PolarHBondContact O-N 2.93Å; R684-L687 PolarHBondContact O-N 2.89Å; E685-L687 PolarHBondContact O-N 3.38Å; L687-D689 PolarHBondContact O-N 3.07Å; L687-A690 CarbonylContact O-C 3.56Å; L687-A690 PolarHBondContact O-N 3.21Å; L687-A690 VanDerWaalsContact O-N 3.13Å; L687-G691 PolarHBondContact O-N 2.8Å; L687-Y692 CarbonylContact C-O 3.55Å; L687-Y692 VanDerWaalsContact C-O 3.3Å; L687-Y692 WeakPolarHBondContact O-CA 3.35Å; L687-Y692 PolarHBondContact O-N 3.27Å; L687-V694 HydrophobicContact CD1-CG2 4.02Å; L687-I699 HydrophobicContact CD1-CD1 3.61Å; L687-I702 HydrophobicContact CD1-CD1 4.36Å; L687-M723 HydrophobicContact CD2-SD 3.51Å; L687-M723 VanDerWaalsContact CD2-SD 3.51Å; L687-L726 HydrophobicContact CD2-CD1 3.64Å
688	N	92.9	Very high	92.8	Very high	32 Å²	32	28.5 Å²	28.5	17%	0.171	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-45.1	177.8	-75.9	-22.8	0	0	0	111.5	R684 E685 A690 G691 H693	R684-N688 PolarHBondContact O-N 3.43Å; E685-N688 PolarHBondContact O-N 3.36Å; N688-A690 PolarHBondContact O-N 2.94Å; N688-G691 PolarHBondContact O-N 2.76Å; N688-H693 PolarHBondContact OD1-ND1 3.07Å
689	D	93.8	Very high	92.7	Very high	47 Å²	47	28.5 Å²	28.5	25%	0.251	13%	0.134	S	C	.	.	H	α-helix	trans	-67.2	-22.1	177.2	-86.9	12.7	0	0	0	112.9	P570 I666 K669 H670 E685 A686 L687 G691	P570-D689 WeakPolarHBondContact CD-O 3.37Å; P570-D689 WeakPolarHBondContact CG-O 3.49Å; I666-D689 WeakPolarHBondContact CD1-O 3.25Å; I666-D689 HydrophobicContact CG2-CB 4.04Å; K669-D689 WeakPolarHBondContact CE-OD2 3.26Å; K669-D689 IonicContact NZ-OD2 3.04Å; K669-D689 PolarHBondContact NZ-OD2 2.85Å; H670-D689 IonicContact CD2-OD2 2.93Å; H670-D689 IonicContact CE1-OD2 3.59Å; H670-D689 PolarHBondContact CE1-OD2 3.15Å; H670-D689 IonicContact NE2-OD2 3.92Å; H670-D689 PolarHBondContact NE2-OD2 2.89Å; E685-D689 WeakPolarHBondContact O-CB 3.49Å; E685-D689 PolarHBondContact O-N 2.87Å; A686-D689 PolarHBondContact O-N 3.02Å; L687-D689 PolarHBondContact O-N 3.07Å; D689-G691 VanDerWaalsContact C-N 3.26Å
690	A	96.1	Very high	92.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	5.1	172.3	0	0	0	0	0	113.4	I666 A686 L687 N688 Y692 M723	I666-A690 VanDerWaalsContact CD1-CA 3.48Å; I666-A690 HydrophobicContact CD1-CB 3.64Å; A686-A690 VanDerWaalsContact O-CB 3.26Å; A686-A690 WeakPolarHBondContact O-CB 3.47Å; A686-A690 PolarHBondContact O-N 3.34Å; L687-A690 CarbonylContact O-C 3.56Å; L687-A690 PolarHBondContact O-N 3.21Å; L687-A690 VanDerWaalsContact O-N 3.13Å; N688-A690 PolarHBondContact O-N 2.94Å; A690-Y692 HydrophobicContact CB-CD2 3.89Å; A690-Y692 HydrophobicContact CB-CE2 4.19Å; A690-Y692 WeakPolarHBondContact O-CD2 3.42Å; A690-Y692 WeakPolarHBondContact O-CE2 3.37Å; A690-M723 HydrophobicContact CB-CE 3.23Å
691	G	95.2	Very high	93.1	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	5.3	178.6	0	0	0	0	0	114.7	N566 Q567 G568 L687 N688 D689	N566-G691 CarbonylContact C-O 3.56Å; N566-G691 WeakPolarHBondContact CA-O 3.27Å; Q567-G691 PolarHBondContact N-O 3.27Å; G568-G691 WeakPolarHBondContact O-CA 3.3Å; L687-G691 PolarHBondContact O-N 2.8Å; N688-G691 PolarHBondContact O-N 2.76Å; D689-G691 VanDerWaalsContact C-N 3.26Å
692	Y	95.7	Very high	93.5	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	102	178.8	-60.2	-81.4	0	0	0	110.8	N566 L687 A690 M723 L726 K727 F730	N566-Y692 HydrophobicContact CB-CD1 4.1Å; N566-Y692 HydrophobicContact CB-CE1 4.06Å; L687-Y692 CarbonylContact C-O 3.55Å; L687-Y692 VanDerWaalsContact C-O 3.3Å; L687-Y692 WeakPolarHBondContact O-CA 3.35Å; L687-Y692 PolarHBondContact O-N 3.27Å; A690-Y692 HydrophobicContact CB-CD2 3.89Å; A690-Y692 HydrophobicContact CB-CE2 4.19Å; A690-Y692 WeakPolarHBondContact O-CD2 3.42Å; A690-Y692 WeakPolarHBondContact O-CE2 3.37Å; Y692-M723 HydrophobicContact CD2-CE 3.42Å; Y692-M723 VanDerWaalsContact CD2-CE 3.42Å; Y692-M723 HydrophobicContact CD2-SD 4.36Å; Y692-M723 HydrophobicContact CE2-CE 3.2Å; Y692-M723 HydrophobicContact CE2-SD 4.4Å; Y692-L726 HydrophobicContact CD1-CB 4Å; Y692-L726 HydrophobicContact CD1-CD1 4.46Å; Y692-L726 HydrophobicContact CE1-CB 3.85Å; Y692-L726 HydrophobicContact CG-CD1 4.32Å; Y692-K727 WeakPolarHBondContact OH-CA 3.41Å; Y692-K727 WeakPolarHBondContact OH-CB 3.43Å; Y692-F730 AromaticContact CD1-CD2 3.59Å; Y692-F730 HydrophobicContact CD1-CD2 3.59Å; Y692-F730 AromaticContact CD1-CE2 3.63Å; Y692-F730 HydrophobicContact CD1-CE2 3.63Å; Y692-F730 AromaticContact CE1-CD2 3.76Å; Y692-F730 HydrophobicContact CE1-CD2 3.76Å; Y692-F730 HydrophobicContact CE1-CE2 4.28Å
693	H	93.8	Very high	93.5	Very high	40 Å²	40	28.1 Å²	28.1	19%	0.185	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.8	166	-57.4	-64.1	0	0	0	108.5	D563 N564 T565 Q567 N688	D563-H693 CarbonylContact O-C 3.56Å; N564-H693 CarbonylContact C-O 3.55Å; N564-H693 VanDerWaalsContact CA-O 3.28Å; N564-H693 WeakPolarHBondContact CA-O 3.2Å; T565-H693 PolarHBondContact N-O 2.75Å; T565-H693 PolarHBondContact O-N 2.71Å; Q567-H693 PolarHBondContact NE2-CD2 2.75Å; Q567-H693 PolarHBondContact NE2-NE2 3.05Å; N688-H693 PolarHBondContact OD1-ND1 3.07Å
694	V	94.4	Very high	93.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	17%	0.171	C	C	.	.			trans	-133.1	137.7	-174.6	-63.8	0	0	0	0	110.8	E562 N564 L687 L698 I699 I702 F730	E562-V694 WeakPolarHBondContact CB-O 3.22Å; N564-V694 WeakPolarHBondContact OD1-CA 3.47Å; L687-V694 HydrophobicContact CD1-CG2 4.02Å; V694-L698 HydrophobicContact CB-CB 4.26Å; V694-L698 HydrophobicContact CB-CD2 3.89Å; V694-L698 HydrophobicContact CB-CG 4.1Å; V694-L698 HydrophobicContact CG1-CD2 3.66Å; V694-L698 HydrophobicContact CG1-CG 4.24Å; V694-I699 HydrophobicContact CG2-CB 4.06Å; V694-I699 HydrophobicContact CG2-CD1 3.9Å; V694-I699 HydrophobicContact CG2-CG1 4.5Å; V694-I702 HydrophobicContact CG1-CD1 4.49Å; V694-I702 HydrophobicContact CG2-CD1 4.42Å; V694-F730 HydrophobicContact CG1-CE2 4.5Å; V694-F730 HydrophobicContact CG1-CZ 4.47Å
695	S	92.6	Very high	93.6	Very high	16 Å²	16	39.7 Å²	39.7	11%	0.112	19%	0.193	C	C	.	.			trans	-65.7	160.1	-179.6	74.9	0	0	0	0	112.1	D561 E562 N564 R697 L698 I699	D561-S695 WeakPolarHBondContact OD2-CB 3.47Å; E562-S695 WeakPolarHBondContact O-CA 3.23Å; E562-S695 VanDerWaalsContact O-CB 3.24Å; E562-S695 WeakPolarHBondContact O-CB 3.37Å; N564-S695 PolarHBondContact OD1-N 3.15Å; S695-R697 PolarHBondContact O-N 2.78Å; S695-R697 VanDerWaalsContact O-N 3.12Å; S695-L698 PolarHBondContact O-N 3.29Å; S695-L698 PolarHBondContact OG-N 3.23Å; S695-I699 PolarHBondContact O-N 3.17Å
696	N	89.9	Confident	93.7	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-29.7	177.7	-78	-34	0	0	0	112.9	V426 D561 R684 I699 N700	V426-N696 HydrophobicContact CG1-CB 4.48Å; D561-N696 PolarHBondContact OD1-N 2.81Å; D561-N696 PolarHBondContact OD1-ND2 2.84Å; D561-N696 PolarHBondContact OD2-N 3.23Å; R684-N696 PolarHBondContact NH1-OD1 2.97Å; R684-N696 PolarHBondContact NH2-OD1 3.48Å; N696-I699 WeakPolarHBondContact O-CG2 3.3Å; N696-N700 VanDerWaalsContact O-CB 3.3Å; N696-N700 WeakPolarHBondContact O-CB 3.49Å; N696-N700 PolarHBondContact O-N 2.84Å
697	R	89.7	Confident	93.7	Very high	216 Å²	216	40.6 Å²	40.6	82%	0.815	20%	0.197	S	C	*	.	H	α-helix	trans	-67	-43.2	174.1	-176	178.1	178.5	-179.8	-1.3	111.9	S695 A701	S695-R697 PolarHBondContact O-N 2.78Å; S695-R697 VanDerWaalsContact O-N 3.12Å; R697-A701 PolarHBondContact O-N 2.87Å
698	L	94.1	Very high	93.5	Very high	53 Å²	53	43 Å²	43	28%	0.277	21%	0.21	S	C	.	.	H	α-helix	trans	-74.6	-45.1	-178.6	179.4	54	0	0	0	110.9	N564 V694 S695 N700 A701 I702	N564-L698 WeakPolarHBondContact OD1-CD2 3.14Å; V694-L698 HydrophobicContact CB-CB 4.26Å; V694-L698 HydrophobicContact CB-CD2 3.89Å; V694-L698 HydrophobicContact CB-CG 4.1Å; V694-L698 HydrophobicContact CG1-CD2 3.66Å; V694-L698 HydrophobicContact CG1-CG 4.24Å; S695-L698 PolarHBondContact O-N 3.29Å; S695-L698 PolarHBondContact OG-N 3.23Å; L698-N700 VanDerWaalsContact C-N 3.26Å; L698-N700 PolarHBondContact O-N 3.33Å; L698-A701 WeakPolarHBondContact O-CB 3.19Å; L698-A701 PolarHBondContact O-N 2.68Å; L698-I702 HydrophobicContact CD1-CD1 4.11Å; L698-I702 HydrophobicContact CD1-CG1 4.14Å; L698-I702 HydrophobicContact CG-CD1 3.83Å; L698-I702 HydrophobicContact CG-CG1 4.35Å; L698-I702 WeakPolarHBondContact O-CG1 3.18Å; L698-I702 PolarHBondContact O-N 3.4Å
699	I	94	Very high	93.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-38.7	177.2	-163.6	65.9	0	0	0	111.3	V426 F683 R684 L687 V694 S695 N696 A701 I702 I703	V426-I699 HydrophobicContact CG1-CG2 3.82Å; F683-I699 HydrophobicContact CD1-CD1 4.37Å; F683-I699 HydrophobicContact CE1-CD1 4.25Å; R684-I699 HydrophobicContact CB-CD1 4.37Å; R684-I699 HydrophobicContact CG-CD1 4.23Å; R684-I699 HydrophobicContact CG-CG1 4.41Å; L687-I699 HydrophobicContact CD1-CD1 3.61Å; V694-I699 HydrophobicContact CG2-CB 4.06Å; V694-I699 HydrophobicContact CG2-CD1 3.9Å; V694-I699 HydrophobicContact CG2-CG1 4.5Å; S695-I699 PolarHBondContact O-N 3.17Å; N696-I699 WeakPolarHBondContact O-CG2 3.3Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 3.26Å; I699-I702 PolarHBondContact O-N 3.47Å; I699-I702 VanDerWaalsContact O-N 3.17Å; I699-I703 HydrophobicContact CG1-CG1 4.19Å; I699-I703 WeakPolarHBondContact O-CB 3.29Å; I699-I703 VanDerWaalsContact O-CG1 3.3Å; I699-I703 WeakPolarHBondContact O-CG1 3.07Å; I699-I703 PolarHBondContact O-N 3.16Å
700	N	92.4	Very high	93.1	Very high	46 Å²	46	49.7 Å²	49.7	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-40.8	175.2	-178.4	44	0	0	0	112.2	V426 N696 L698 N704	V426-N700 HydrophobicContact CG1-CB 4.28Å; V426-N700 HydrophobicContact CG2-CB 3.86Å; N696-N700 VanDerWaalsContact O-CB 3.3Å; N696-N700 WeakPolarHBondContact O-CB 3.49Å; N696-N700 PolarHBondContact O-N 2.84Å; L698-N700 VanDerWaalsContact C-N 3.26Å; L698-N700 PolarHBondContact O-N 3.33Å; N700-N704 WeakPolarHBondContact O-CB 3.48Å; N700-N704 PolarHBondContact O-N 3.44Å; N700-N704 VanDerWaalsContact O-N 3.15Å; N700-N704 PolarHBondContact O-ND2 3.1Å; N700-N704 PolarHBondContact OD1-ND2 3.25Å
701	A	94.1	Very high	92.8	Very high	56 Å²	56	52.3 Å²	52.3	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-39.2	175.6	0	0	0	0	0	111.9	R697 L698 I699 R705	R697-A701 PolarHBondContact O-N 2.87Å; L698-A701 WeakPolarHBondContact O-CB 3.19Å; L698-A701 PolarHBondContact O-N 2.68Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 3.26Å; A701-R705 WeakPolarHBondContact O-CB 3.47Å; A701-R705 PolarHBondContact O-N 3.35Å
702	I	95	Very high	92.5	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-53.1	177.4	-65.9	169.2	0	0	0	110.1	F683 L687 V694 L698 I699 N704 R705 Y706 C722 L726	F683-I702 HydrophobicContact CE1-CG2 3.31Å; F683-I702 HydrophobicContact CZ-CG2 3.45Å; F683-I702 VanDerWaalsContact CZ-CG2 3.45Å; L687-I702 HydrophobicContact CD1-CD1 4.36Å; V694-I702 HydrophobicContact CG1-CD1 4.49Å; V694-I702 HydrophobicContact CG2-CD1 4.42Å; L698-I702 HydrophobicContact CD1-CD1 4.11Å; L698-I702 HydrophobicContact CD1-CG1 4.14Å; L698-I702 HydrophobicContact CG-CD1 3.83Å; L698-I702 HydrophobicContact CG-CG1 4.35Å; L698-I702 WeakPolarHBondContact O-CG1 3.18Å; L698-I702 PolarHBondContact O-N 3.4Å; I699-I702 PolarHBondContact O-N 3.47Å; I699-I702 VanDerWaalsContact O-N 3.17Å; I702-N704 VanDerWaalsContact C-N 3.34Å; I702-N704 PolarHBondContact O-N 3.36Å; I702-R705 PolarHBondContact O-N 3.06Å; I702-Y706 HydrophobicContact CB-CD2 4.43Å; I702-Y706 HydrophobicContact CG2-CD2 3.66Å; I702-Y706 HydrophobicContact CG2-CE2 4.12Å; I702-Y706 VanDerWaalsContact O-CD2 3.23Å; I702-Y706 WeakPolarHBondContact O-CD2 3.5Å; I702-Y706 PolarHBondContact O-N 2.83Å; I702-C722 VanDerWaalsContact CG2-SG 3.54Å; I702-L726 HydrophobicContact CD1-CD1 4.27Å; I702-L726 HydrophobicContact CD1-CD2 4.13Å
703	I	93.4	Very high	92.4	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-46.3	-179.9	-66	-59.3	0	0	0	111.1	N425 A680 F683 I699 R705 Y706 Q707 I714	N425-I703 HydrophobicContact CB-CG2 4.11Å; A680-I703 HydrophobicContact CB-CD1 3.74Å; A680-I703 HydrophobicContact CB-CG1 4.48Å; F683-I703 HydrophobicContact CD1-CD1 3.78Å; F683-I703 HydrophobicContact CE1-CD1 4.27Å; I699-I703 HydrophobicContact CG1-CG1 4.19Å; I699-I703 WeakPolarHBondContact O-CB 3.29Å; I699-I703 VanDerWaalsContact O-CG1 3.3Å; I699-I703 WeakPolarHBondContact O-CG1 3.07Å; I699-I703 PolarHBondContact O-N 3.16Å; I703-R705 PolarHBondContact O-N 3.09Å; I703-Y706 PolarHBondContact O-N 2.92Å; I703-Q707 HydrophobicContact CG2-CB 4.38Å; I703-Q707 VanDerWaalsContact CG2-OE1 3.27Å; I703-Q707 WeakPolarHBondContact O-CB 3.24Å; I703-Q707 PolarHBondContact O-N 2.85Å; I703-I714 HydrophobicContact CD1-CD1 3.81Å
704	N	92.1	Very high	92.5	Very high	121 Å²	121	58 Å²	58	65%	0.647	32%	0.316	S	S	*	.	H	α-helix	trans	-63	-23.7	177.2	-78.2	-60.1	0	0	0	114	N700 I702	N700-N704 WeakPolarHBondContact O-CB 3.48Å; N700-N704 PolarHBondContact O-N 3.44Å; N700-N704 VanDerWaalsContact O-N 3.15Å; N700-N704 PolarHBondContact O-ND2 3.1Å; N700-N704 PolarHBondContact OD1-ND2 3.25Å; I702-N704 VanDerWaalsContact C-N 3.34Å; I702-N704 PolarHBondContact O-N 3.36Å
705	R	94.2	Very high	92.5	Very high	127 Å²	127	58.9 Å²	58.9	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-89.3	-38.3	-178.5	176.7	58	-173.3	81.7	-0.5	113.1	A701 I702 I703	A701-R705 WeakPolarHBondContact O-CB 3.47Å; A701-R705 PolarHBondContact O-N 3.35Å; I702-R705 PolarHBondContact O-N 3.06Å; I703-R705 PolarHBondContact O-N 3.09Å
706	Y	94.7	Very high	92.6	Very high	18 Å²	18	58.2 Å²	58.2	7%	0.071	32%	0.318	C	S	.	.	H	α-helix	trans	-110.9	-10.7	-167.4	-64.2	-73.7	0	0	0	113.9	I702 I703 D718 L721 C722 R725	I702-Y706 HydrophobicContact CB-CD2 4.43Å; I702-Y706 HydrophobicContact CG2-CD2 3.66Å; I702-Y706 HydrophobicContact CG2-CE2 4.12Å; I702-Y706 VanDerWaalsContact O-CD2 3.23Å; I702-Y706 WeakPolarHBondContact O-CD2 3.5Å; I702-Y706 PolarHBondContact O-N 2.83Å; I703-Y706 PolarHBondContact O-N 2.92Å; Y706-D718 HydrophobicContact CD1-CB 4.15Å; Y706-D718 WeakPolarHBondContact CD1-O 3.34Å; Y706-L721 HydrophobicContact CE1-CB 4.17Å; Y706-L721 HydrophobicContact CE1-CD2 4.02Å; Y706-L721 HydrophobicContact CE1-CG 3.92Å; Y706-C722 HydrophobicContact CD1-CB 4.14Å; Y706-C722 HydrophobicContact CD2-CB 3.84Å; Y706-C722 HydrophobicContact CE1-CB 3.97Å; Y706-C722 HydrophobicContact CE2-CB 3.65Å; Y706-C722 HydrophobicContact CG-CB 4.08Å; Y706-R725 WeakPolarHBondContact OH-CD 3.27Å
707	Q	93.9	Very high	92.9	Very high	38 Å²	38	59.6 Å²	59.6	18%	0.178	32%	0.324	C	S	.	.	S	Bend	trans	-74.8	133.2	171.3	-169.5	179.4	-62.2	0	0	110.4	N425 I703 T711 I714	N425-Q707 PolarHBondContact ND2-OE1 2.97Å; I703-Q707 HydrophobicContact CG2-CB 4.38Å; I703-Q707 VanDerWaalsContact CG2-OE1 3.27Å; I703-Q707 WeakPolarHBondContact O-CB 3.24Å; I703-Q707 PolarHBondContact O-N 2.85Å; Q707-T711 WeakPolarHBondContact CG-O 3.5Å; Q707-T711 PolarHBondContact NE2-O 2.91Å; Q707-I714 HydrophobicContact CB-CG1 4.15Å; Q707-I714 HydrophobicContact CG-CG1 4.44Å
708	D	92.6	Very high	93.2	Very high	52 Å²	52	50.6 Å²	50.6	28%	0.278	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.9	176.8	-85.8	-23.9	0	0	0	110.4	G710 T711 K713	D708-G710 PolarHBondContact O-N 3.39Å; D708-T711 HydrophobicContact CB-CG2 4.36Å; D708-T711 WeakPolarHBondContact CB-OG1 3.47Å; D708-T711 PolarHBondContact O-N 2.87Å; D708-T711 PolarHBondContact O-OG1 3.24Å; D708-T711 VanDerWaalsContact O-OG1 3.11Å; D708-K713 WeakPolarHBondContact CB-O 3.44Å; D708-K713 PolarHBondContact N-O 3.08Å
709	P	90.5	Very high	93.3	Very high	128 Å²	128	48 Å²	48	83%	0.831	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	125.2	-175	-28.5	34.7	0	0	0	113.5	T711	P709-T711 VanDerWaalsContact C-N 3.26Å; P709-T711 PolarHBondContact O-N 2.87Å
710	G	87.4	Confident	93.4	Very high	91 Å²	91	48 Å²	48	94%	0.938	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	6.6	178.6	0	0	0	0	0	114.9	D708	D708-G710 PolarHBondContact O-N 3.39Å
711	T	90.5	Very high	93.6	Very high	56 Å²	56	46 Å²	46	34%	0.344	27%	0.268	S	S	.	.	S	Bend	trans	-125.9	173.4	174.3	84.6	0	0	0	0	110.3	Q707 D708 P709 K713	Q707-T711 WeakPolarHBondContact CG-O 3.5Å; Q707-T711 PolarHBondContact NE2-O 2.91Å; D708-T711 HydrophobicContact CB-CG2 4.36Å; D708-T711 WeakPolarHBondContact CB-OG1 3.47Å; D708-T711 PolarHBondContact O-N 2.87Å; D708-T711 PolarHBondContact O-OG1 3.24Å; D708-T711 VanDerWaalsContact O-OG1 3.11Å; P709-T711 VanDerWaalsContact C-N 3.26Å; P709-T711 PolarHBondContact O-N 2.87Å; T711-K713 PolarHBondContact OG1-N 2.9Å; T711-K713 VanDerWaalsContact OG1-N 3.15Å
712	D	88.1	Confident	93.7	Very high	63 Å²	63	43.4 Å²	43.4	34%	0.337	25%	0.246	S	C	.	.	S	Bend	trans	-101.9	22	171.9	-70.9	-44.1	0	0	0	113.1	R424 N425 S679	R424-D712 IonicContact CZ-OD1 3.47Å; R424-D712 VanDerWaalsContact CZ-OD1 3.22Å; R424-D712 IonicContact CZ-OD2 3.49Å; R424-D712 IonicContact NH1-OD1 3.61Å; R424-D712 PolarHBondContact NH1-OD1 3.08Å; R424-D712 IonicContact NH1-OD2 3.65Å; R424-D712 IonicContact NH2-OD1 2.95Å; R424-D712 PolarHBondContact NH2-OD1 3.23Å; R424-D712 IonicContact NH2-OD2 2.84Å; R424-D712 PolarHBondContact NH2-OD2 3.27Å; N425-D712 PolarHBondContact ND2-OD1 3.43Å; S679-D712 WeakPolarHBondContact CA-O 3.44Å
713	K	93.3	Very high	93.8	Very high	101 Å²	101	43 Å²	43	44%	0.439	24%	0.244	S	C	.	.			trans	-104.9	141.5	-171.3	-61.3	-173.9	176.2	-167.2	0	111.1	Y677 F678 D708 T711	Y677-K713 HydrophobicContact CD1-CB 3.8Å; Y677-K713 HydrophobicContact CD1-CD 4.09Å; Y677-K713 HydrophobicContact CD1-CG 4.47Å; Y677-K713 HydrophobicContact CD2-CD 4.31Å; Y677-K713 HydrophobicContact CG-CB 4.15Å; Y677-K713 HydrophobicContact CG-CD 3.99Å; Y677-K713 HydrophobicContact CG-CG 4.42Å; F678-K713 CarbonylContact O-C 3.47Å; F678-K713 WeakPolarHBondContact O-CA 3.43Å; D708-K713 WeakPolarHBondContact CB-O 3.44Å; D708-K713 PolarHBondContact N-O 3.08Å; T711-K713 PolarHBondContact OG1-N 2.9Å; T711-K713 VanDerWaalsContact OG1-N 3.15Å
714	I	95.1	Very high	93.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.8	170.1	-62.3	164.1	0	0	0	106.3	Y677 F678 F683 I703 Q707 D718	Y677-I714 CarbonylContact C-O 3.57Å; Y677-I714 VanDerWaalsContact CA-O 3.31Å; Y677-I714 WeakPolarHBondContact CA-O 3.49Å; F678-I714 HydrophobicContact CB-CB 4.32Å; F678-I714 PolarHBondContact N-O 3.38Å; F678-I714 PolarHBondContact O-N 2.99Å; F683-I714 HydrophobicContact CB-CD1 3.64Å; F683-I714 HydrophobicContact CD1-CD1 3.96Å; F683-I714 HydrophobicContact CD2-CB 4.39Å; F683-I714 HydrophobicContact CD2-CD1 3.76Å; F683-I714 HydrophobicContact CD2-CG2 3.79Å; F683-I714 HydrophobicContact CE2-CD1 4.42Å; F683-I714 HydrophobicContact CE2-CG2 4.03Å; F683-I714 HydrophobicContact CG-CD1 3.5Å; I703-I714 HydrophobicContact CD1-CD1 3.81Å; Q707-I714 HydrophobicContact CB-CG1 4.15Å; Q707-I714 HydrophobicContact CG-CG1 4.44Å; I714-D718 HydrophobicContact CG2-CB 3.98Å
715	S	94.9	Very high	94	Very high	21 Å²	21	39 Å²	39	15%	0.147	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	160.7	-178.4	76.4	0	0	0	0	111.7	E717 D718 F719	S715-E717 PolarHBondContact O-N 2.78Å; S715-E717 PolarHBondContact OG-N 2.94Å; S715-D718 PolarHBondContact O-N 3.05Å; S715-D718 PolarHBondContact OG-N 2.99Å; S715-D718 PolarHBondContact OG-OD2 3.15Å; S715-F719 PolarHBondContact O-N 3.37Å
716	F	95.8	Very high	94.1	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-36.8	169.3	178.7	-114	0	0	0	112.5	I622 F625 K664 F667 G676 F719 M720	I622-F716 HydrophobicContact CB-CD1 4.11Å; I622-F716 HydrophobicContact CB-CE1 4.42Å; I622-F716 HydrophobicContact CB-CG 4.33Å; I622-F716 HydrophobicContact CG1-CD1 3.99Å; I622-F716 HydrophobicContact CG1-CD2 4.33Å; I622-F716 HydrophobicContact CG1-CE1 3.87Å; I622-F716 HydrophobicContact CG1-CE2 4.23Å; I622-F716 HydrophobicContact CG1-CG 4.21Å; I622-F716 HydrophobicContact CG1-CZ 3.99Å; I622-F716 HydrophobicContact CG2-CB 3.79Å; I622-F716 HydrophobicContact CG2-CD1 4.02Å; I622-F716 HydrophobicContact CG2-CD2 4.33Å; I622-F716 HydrophobicContact CG2-CG 3.78Å; F625-F716 HydrophobicContact CB-CD1 4.26Å; F625-F716 AromaticContact CD1-CD1 3.74Å; F625-F716 HydrophobicContact CD1-CD1 3.74Å; F625-F716 AromaticContact CD1-CE1 3.89Å; F625-F716 HydrophobicContact CD1-CE1 3.89Å; F625-F716 AromaticContact CD2-CD1 3.85Å; F625-F716 HydrophobicContact CD2-CD1 3.85Å; F625-F716 AromaticContact CE1-CD1 3.93Å; F625-F716 HydrophobicContact CE1-CD1 3.93Å; F625-F716 AromaticContact CE1-CE1 3.77Å; F625-F716 HydrophobicContact CE1-CE1 3.77Å; F625-F716 HydrophobicContact CE2-CD1 4.06Å; F625-F716 AromaticContact CG-CD1 3.7Å; F625-F716 HydrophobicContact CG-CD1 3.7Å; F625-F716 HydrophobicContact CG-CE1 4.33Å; F625-F716 HydrophobicContact CZ-CD1 4.09Å; F625-F716 HydrophobicContact CZ-CE1 4.13Å; K664-F716 HydrophobicContact CB-CE2 4.36Å; K664-F716 HydrophobicContact CB-CZ 4.18Å; K664-F716 HydrophobicContact CG-CZ 4.27Å; F667-F716 HydrophobicContact CB-CD2 3.92Å; F667-F716 HydrophobicContact CB-CE2 3.95Å; F667-F716 AromaticContact CD1-CD2 3.77Å; F667-F716 HydrophobicContact CD1-CD2 3.77Å; F667-F716 HydrophobicContact CD1-CE2 4.46Å; F667-F716 AromaticContact CD2-CD2 3.64Å; F667-F716 HydrophobicContact CD2-CD2 3.64Å; F667-F716 HydrophobicContact CD2-CE2 4.43Å; F667-F716 HydrophobicContact CE1-CB 4.11Å; F667-F716 HydrophobicContact CE1-CD2 4.18Å; F667-F716 HydrophobicContact CE2-CB 4.03Å; F667-F716 HydrophobicContact CE2-CD2 4.03Å; F667-F716 AromaticContact CG-CD2 3.48Å; F667-F716 HydrophobicContact CG-CD2 3.48Å; F667-F716 VanDerWaalsContact CG-CD2 3.48Å; F667-F716 HydrophobicContact CG-CE2 4.03Å; F667-F716 HydrophobicContact CZ-CB 3.82Å; F667-F716 HydrophobicContact CZ-CD2 4.29Å; G676-F716 PolarHBondContact O-N 2.95Å; F716-F719 HydrophobicContact CD2-CD1 4.33Å; F716-F719 HydrophobicContact CE2-CD1 4.45Å; F716-F719 PolarHBondContact O-N 2.77Å; F716-M720 HydrophobicContact CD1-CG 4.25Å; F716-M720 HydrophobicContact CD2-CG 4.07Å; F716-M720 HydrophobicContact CE1-CG 3.84Å; F716-M720 HydrophobicContact CE2-CG 3.63Å; F716-M720 HydrophobicContact CE2-SD 3.83Å; F716-M720 HydrophobicContact CG-CG 4.38Å; F716-M720 HydrophobicContact CZ-CE 4.49Å; F716-M720 HydrophobicContact CZ-CG 3.51Å; F716-M720 HydrophobicContact CZ-SD 3.74Å; F716-M720 WeakPolarHBondContact O-CB 3.39Å; F716-M720 VanDerWaalsContact O-CG 3.24Å; F716-M720 WeakPolarHBondContact O-CG 3.36Å; F716-M720 PolarHBondContact O-N 3.26Å
717	E	95.2	Very high	94	Very high	46 Å²	46	33 Å²	33	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-48.6	177	-172.1	-167.3	133.2	0	0	111.4	F625 N629 L632 S715 M720 L721	F625-E717 HydrophobicContact CD2-CB 4.32Å; F625-E717 HydrophobicContact CE2-CB 3.98Å; F625-E717 HydrophobicContact CE2-CG 4.3Å; N629-E717 VanDerWaalsContact ND2-CD 3.3Å; N629-E717 PolarHBondContact ND2-OE1 3.02Å; L632-E717 HydrophobicContact CD2-CG 4.12Å; S715-E717 PolarHBondContact O-N 2.78Å; S715-E717 PolarHBondContact OG-N 2.94Å; E717-M720 PolarHBondContact O-N 3.33Å; E717-L721 WeakPolarHBondContact O-CB 3.45Å; E717-L721 PolarHBondContact O-N 2.74Å
718	D	95.5	Very high	93.9	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-68.4	-36.8	179.8	-72.3	-66.1	0	0	0	112.3	Y706 I714 S715 L721 C722	Y706-D718 HydrophobicContact CD1-CB 4.15Å; Y706-D718 WeakPolarHBondContact CD1-O 3.34Å; I714-D718 HydrophobicContact CG2-CB 3.98Å; S715-D718 PolarHBondContact O-N 3.05Å; S715-D718 PolarHBondContact OG-N 2.99Å; S715-D718 PolarHBondContact OG-OD2 3.15Å; D718-L721 PolarHBondContact O-N 2.93Å; D718-C722 WeakPolarHBondContact O-CB 3.34Å; D718-C722 PolarHBondContact O-N 3.21Å
719	F	96.3	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-54.9	170.9	170.4	-105.7	0	0	0	110.6	W663 F667 F678 F683 A686 S715 F716 L721 C722 M723	W663-F719 HydrophobicContact CB-CE1 3.9Å; W663-F719 HydrophobicContact CB-CZ 4.32Å; W663-F719 WeakPolarHBondContact O-CE1 3.33Å; F667-F719 HydrophobicContact CB-CD1 4.27Å; F667-F719 HydrophobicContact CB-CE1 4.05Å; F667-F719 HydrophobicContact CD2-CB 4.17Å; F667-F719 AromaticContact CD2-CD1 3.59Å; F667-F719 HydrophobicContact CD2-CD1 3.59Å; F667-F719 HydrophobicContact CD2-CE1 4.13Å; F667-F719 AromaticContact CD2-CG 3.91Å; F667-F719 HydrophobicContact CD2-CG 3.91Å; F667-F719 HydrophobicContact CE2-CB 4.21Å; F667-F719 HydrophobicContact CE2-CD1 4.44Å; F667-F719 HydrophobicContact CE2-CG 4.42Å; F667-F719 HydrophobicContact CG-CD1 4.36Å; F678-F719 HydrophobicContact CD2-CD2 4.12Å; F678-F719 HydrophobicContact CD2-CG 4.4Å; F678-F719 AromaticContact CE2-CD2 3.75Å; F678-F719 HydrophobicContact CE2-CD2 3.75Å; F678-F719 AromaticContact CE2-CE2 3.92Å; F678-F719 HydrophobicContact CE2-CE2 3.92Å; F678-F719 HydrophobicContact CE2-CG 4.08Å; F678-F719 HydrophobicContact CE2-CZ 4.38Å; F683-F719 AromaticContact CD2-CD2 3.86Å; F683-F719 HydrophobicContact CD2-CD2 3.86Å; F683-F719 HydrophobicContact CE2-CB 4.37Å; F683-F719 AromaticContact CE2-CD2 3.73Å; F683-F719 HydrophobicContact CE2-CD2 3.73Å; A686-F719 HydrophobicContact CB-CE2 3.99Å; A686-F719 HydrophobicContact CB-CZ 4.41Å; S715-F719 PolarHBondContact O-N 3.37Å; F716-F719 HydrophobicContact CD2-CD1 4.33Å; F716-F719 HydrophobicContact CE2-CD1 4.45Å; F716-F719 PolarHBondContact O-N 2.77Å; F719-L721 VanDerWaalsContact C-N 3.31Å; F719-L721 PolarHBondContact O-N 2.97Å; F719-C722 WeakPolarHBondContact O-CB 3.4Å; F719-C722 PolarHBondContact O-N 2.82Å; F719-C722 VanDerWaalsContact O-N 3.07Å; F719-M723 HydrophobicContact CD1-CG 4.33Å; F719-M723 HydrophobicContact CD2-CG 4.14Å; F719-M723 HydrophobicContact CD2-SD 4.26Å; F719-M723 HydrophobicContact CE1-CG 3.98Å; F719-M723 HydrophobicContact CE2-CG 3.76Å; F719-M723 HydrophobicContact CE2-SD 3.6Å; F719-M723 HydrophobicContact CG-CG 4.41Å; F719-M723 HydrophobicContact CZ-CE 4.38Å; F719-M723 HydrophobicContact CZ-CG 3.69Å; F719-M723 HydrophobicContact CZ-SD 3.89Å; F719-M723 VanDerWaalsContact O-CG 3.28Å; F719-M723 WeakPolarHBondContact O-CG 3.12Å; F719-M723 PolarHBondContact O-N 3.24Å
720	M	96.5	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-43	178.5	-72.4	-65	-70.2	0	0	112.2	F628 L632 A660 W663 F716 E717 C722 M723 V724	F628-M720 HydrophobicContact CE1-CE 4.25Å; F628-M720 HydrophobicContact CZ-CE 4.48Å; L632-M720 HydrophobicContact CD1-CB 4.19Å; L632-M720 HydrophobicContact CD2-CB 4.15Å; A660-M720 HydrophobicContact CB-CE 3.75Å; W663-M720 HydrophobicContact CB-SD 3.8Å; W663-M720 HydrophobicContact CE3-CE 3.96Å; W663-M720 HydrophobicContact CE3-SD 4.11Å; F716-M720 HydrophobicContact CD1-CG 4.25Å; F716-M720 HydrophobicContact CD2-CG 4.07Å; F716-M720 HydrophobicContact CE1-CG 3.84Å; F716-M720 HydrophobicContact CE2-CG 3.63Å; F716-M720 HydrophobicContact CE2-SD 3.83Å; F716-M720 HydrophobicContact CG-CG 4.38Å; F716-M720 HydrophobicContact CZ-CE 4.49Å; F716-M720 HydrophobicContact CZ-CG 3.51Å; F716-M720 HydrophobicContact CZ-SD 3.74Å; F716-M720 WeakPolarHBondContact O-CB 3.39Å; F716-M720 VanDerWaalsContact O-CG 3.24Å; F716-M720 WeakPolarHBondContact O-CG 3.36Å; F716-M720 PolarHBondContact O-N 3.26Å; E717-M720 PolarHBondContact O-N 3.33Å; M720-C722 VanDerWaalsContact C-N 3.33Å; M720-C722 PolarHBondContact O-N 3.08Å; M720-M723 PolarHBondContact O-N 3.46Å; M720-V724 VanDerWaalsContact O-CG2 3.23Å; M720-V724 WeakPolarHBondContact O-CG2 3.31Å; M720-V724 PolarHBondContact O-N 2.63Å
721	L	96.3	Very high	94.1	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.6	-176.3	59.3	0	0	0	111.9	L632 S635 Y706 E717 D718 F719 R725	L632-L721 HydrophobicContact CD1-CB 3.95Å; L632-L721 HydrophobicContact CD1-CD1 4.09Å; S635-L721 VanDerWaalsContact OG-CD1 3.24Å; S635-L721 WeakPolarHBondContact OG-CD1 3.25Å; Y706-L721 HydrophobicContact CE1-CB 4.17Å; Y706-L721 HydrophobicContact CE1-CD2 4.02Å; Y706-L721 HydrophobicContact CE1-CG 3.92Å; E717-L721 WeakPolarHBondContact O-CB 3.45Å; E717-L721 PolarHBondContact O-N 2.74Å; D718-L721 PolarHBondContact O-N 2.93Å; F719-L721 VanDerWaalsContact C-N 3.31Å; F719-L721 PolarHBondContact O-N 2.97Å; L721-R725 WeakPolarHBondContact O-CG 3.35Å; L721-R725 PolarHBondContact O-N 3.18Å; L721-R725 VanDerWaalsContact O-N 3.14Å
722	C	96.7	Very high	93.9	Very high	1 Å²	1	23 Å²	23	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-46.3	175.2	-175.6	0	0	0	0	111.7	F683 I702 Y706 D718 F719 M720 V724 R725 L726	F683-C722 HydrophobicContact CE2-CB 4.39Å; F683-C722 HydrophobicContact CZ-CB 4.1Å; I702-C722 VanDerWaalsContact CG2-SG 3.54Å; Y706-C722 HydrophobicContact CD1-CB 4.14Å; Y706-C722 HydrophobicContact CD2-CB 3.84Å; Y706-C722 HydrophobicContact CE1-CB 3.97Å; Y706-C722 HydrophobicContact CE2-CB 3.65Å; Y706-C722 HydrophobicContact CG-CB 4.08Å; D718-C722 WeakPolarHBondContact O-CB 3.34Å; D718-C722 PolarHBondContact O-N 3.21Å; F719-C722 WeakPolarHBondContact O-CB 3.4Å; F719-C722 PolarHBondContact O-N 2.82Å; F719-C722 VanDerWaalsContact O-N 3.07Å; M720-C722 VanDerWaalsContact C-N 3.33Å; M720-C722 PolarHBondContact O-N 3.08Å; C722-V724 PolarHBondContact O-N 3.33Å; C722-R725 PolarHBondContact O-N 3.08Å; C722-L726 WeakPolarHBondContact O-CB 3.28Å; C722-L726 WeakPolarHBondContact O-CG 3.42Å; C722-L726 PolarHBondContact O-N 3.34Å
723	M	97.3	Very high	93.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.3	-46.1	-179.9	-64.1	-48.3	-74.1	0	0	112.2	W663 L687 A690 Y692 F719 M720 R725 L726 K727	W663-M723 HydrophobicContact CB-CG 4.36Å; W663-M723 VanDerWaalsContact CD1-CE 3.41Å; W663-M723 HydrophobicContact CD2-CB 3.51Å; W663-M723 HydrophobicContact CD2-CE 4.26Å; W663-M723 HydrophobicContact CD2-CG 4Å; W663-M723 HydrophobicContact CE3-CB 3.58Å; W663-M723 HydrophobicContact CE3-CG 4.38Å; W663-M723 HydrophobicContact CG-CB 4.05Å; W663-M723 HydrophobicContact CG-CE 3.95Å; W663-M723 HydrophobicContact CG-CG 3.99Å; W663-M723 HydrophobicContact CH2-CB 4.09Å; W663-M723 HydrophobicContact CZ2-CB 4.03Å; W663-M723 HydrophobicContact CZ3-CB 3.89Å; L687-M723 HydrophobicContact CD2-SD 3.51Å; L687-M723 VanDerWaalsContact CD2-SD 3.51Å; A690-M723 HydrophobicContact CB-CE 3.23Å; Y692-M723 HydrophobicContact CD2-CE 3.42Å; Y692-M723 VanDerWaalsContact CD2-CE 3.42Å; Y692-M723 HydrophobicContact CD2-SD 4.36Å; Y692-M723 HydrophobicContact CE2-CE 3.2Å; Y692-M723 HydrophobicContact CE2-SD 4.4Å; F719-M723 HydrophobicContact CD1-CG 4.33Å; F719-M723 HydrophobicContact CD2-CG 4.14Å; F719-M723 HydrophobicContact CD2-SD 4.26Å; F719-M723 HydrophobicContact CE1-CG 3.98Å; F719-M723 HydrophobicContact CE2-CG 3.76Å; F719-M723 HydrophobicContact CE2-SD 3.6Å; F719-M723 HydrophobicContact CG-CG 4.41Å; F719-M723 HydrophobicContact CZ-CE 4.38Å; F719-M723 HydrophobicContact CZ-CG 3.69Å; F719-M723 HydrophobicContact CZ-SD 3.89Å; F719-M723 VanDerWaalsContact O-CG 3.28Å; F719-M723 WeakPolarHBondContact O-CG 3.12Å; F719-M723 PolarHBondContact O-N 3.24Å; M720-M723 PolarHBondContact O-N 3.46Å; M723-R725 VanDerWaalsContact C-N 3.33Å; M723-R725 PolarHBondContact O-N 3.21Å; M723-L726 PolarHBondContact O-N 2.88Å; M723-K727 WeakPolarHBondContact O-CB 3.17Å; M723-K727 PolarHBondContact O-N 2.68Å
724	V	95.5	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-44.9	176.4	170.3	0	0	0	0	111.1	S635 M636 W663 M720 C722 T728	S635-V724 WeakPolarHBondContact O-CG1 3.42Å; M636-V724 HydrophobicContact CG-CG1 4.15Å; M636-V724 HydrophobicContact CG-CG2 3.61Å; W663-V724 HydrophobicContact CH2-CG2 4.19Å; W663-V724 HydrophobicContact CZ3-CG2 3.61Å; M720-V724 VanDerWaalsContact O-CG2 3.23Å; M720-V724 WeakPolarHBondContact O-CG2 3.31Å; M720-V724 PolarHBondContact O-N 2.63Å; C722-V724 PolarHBondContact O-N 3.33Å; V724-T728 PolarHBondContact O-N 2.79Å; V724-T728 VanDerWaalsContact O-N 3.07Å; V724-T728 PolarHBondContact O-OG1 3.49Å
725	R	94.3	Very high	93.2	Very high	44 Å²	44	29.1 Å²	29.1	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-37.5	179.6	-74.7	-176.9	155.7	157.4	7.7	112.8	E631 Y706 L721 C722 M723 T728 A729 I758	E631-R725 IonicContact OE1-CZ 3.45Å; E631-R725 IonicContact OE1-NH2 3.99Å; E631-R725 PolarHBondContact OE1-NH2 3.07Å; Y706-R725 WeakPolarHBondContact OH-CD 3.27Å; L721-R725 WeakPolarHBondContact O-CG 3.35Å; L721-R725 PolarHBondContact O-N 3.18Å; L721-R725 VanDerWaalsContact O-N 3.14Å; C722-R725 PolarHBondContact O-N 3.08Å; M723-R725 VanDerWaalsContact C-N 3.33Å; M723-R725 PolarHBondContact O-N 3.21Å; R725-T728 PolarHBondContact O-N 3Å; R725-A729 VanDerWaalsContact O-CB 3.27Å; R725-A729 WeakPolarHBondContact O-CB 3.31Å; R725-A729 PolarHBondContact O-N 3.34Å; R725-I758 HydrophobicContact CB-CG2 4.42Å; R725-I758 HydrophobicContact CG-CG2 4.06Å; R725-I758 PolarHBondContact NE-O 3.21Å; R725-I758 PolarHBondContact NH2-O 2.77Å
726	L	95.2	Very high	92.8	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-47.1	174.1	-75.3	175.7	0	0	0	111.3	L687 Y692 I702 C722 M723 T728 A729 F730	L687-L726 HydrophobicContact CD2-CD1 3.64Å; Y692-L726 HydrophobicContact CD1-CB 4Å; Y692-L726 HydrophobicContact CD1-CD1 4.46Å; Y692-L726 HydrophobicContact CE1-CB 3.85Å; Y692-L726 HydrophobicContact CG-CD1 4.32Å; I702-L726 HydrophobicContact CD1-CD1 4.27Å; I702-L726 HydrophobicContact CD1-CD2 4.13Å; C722-L726 WeakPolarHBondContact O-CB 3.28Å; C722-L726 WeakPolarHBondContact O-CG 3.42Å; C722-L726 PolarHBondContact O-N 3.34Å; M723-L726 PolarHBondContact O-N 2.88Å; L726-T728 VanDerWaalsContact C-N 3.31Å; L726-T728 PolarHBondContact O-N 3.22Å; L726-A729 PolarHBondContact O-N 2.74Å; L726-F730 HydrophobicContact CB-CD2 4.4Å; L726-F730 HydrophobicContact CD2-CE2 4.13Å; L726-F730 WeakPolarHBondContact O-CB 3.23Å; L726-F730 VanDerWaalsContact O-CD2 3.27Å; L726-F730 WeakPolarHBondContact O-CD2 3.21Å; L726-F730 PolarHBondContact O-N 3.1Å
727	K	93.7	Very high	92.3	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-49	-56.3	172.7	-179.3	-174.8	-174.6	-66.2	0	110.1	D655 W663 Y692 M723 A729 F730 E731	D655-K727 IonicContact OD2-NZ 2.7Å; D655-K727 PolarHBondContact OD2-NZ 3.45Å; W663-K727 HydrophobicContact CH2-CB 4.29Å; W663-K727 HydrophobicContact CH2-CD 4.03Å; W663-K727 HydrophobicContact CZ2-CB 4.28Å; W663-K727 HydrophobicContact CZ2-CD 4.26Å; Y692-K727 WeakPolarHBondContact OH-CA 3.41Å; Y692-K727 WeakPolarHBondContact OH-CB 3.43Å; M723-K727 WeakPolarHBondContact O-CB 3.17Å; M723-K727 PolarHBondContact O-N 2.68Å; K727-A729 VanDerWaalsContact C-N 3.33Å; K727-A729 PolarHBondContact O-N 3.4Å; K727-F730 PolarHBondContact O-N 2.87Å; K727-E731 WeakPolarHBondContact CE-OE1 3.29Å; K727-E731 HydrophobicContact CG-CG 4.41Å; K727-E731 VanDerWaalsContact CG-OE1 3.26Å; K727-E731 WeakPolarHBondContact CG-OE1 3.48Å; K727-E731 IonicContact NZ-OE1 3.8Å; K727-E731 PolarHBondContact NZ-OE1 2.65Å; K727-E731 IonicContact NZ-OE2 2.81Å; K727-E731 PolarHBondContact NZ-OE2 2.98Å; K727-E731 WeakPolarHBondContact O-CB 3.43Å; K727-E731 WeakPolarHBondContact O-CG 3.5Å; K727-E731 PolarHBondContact O-N 2.95Å
728	T	91.4	Very high	91.9	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-44.4	-178.4	-42.2	0	0	0	0	111.6	S639 V724 R725 L726 T732 I758	S639-T728 WeakPolarHBondContact CA-OG1 3.38Å; S639-T728 WeakPolarHBondContact CB-OG1 3.38Å; V724-T728 PolarHBondContact O-N 2.79Å; V724-T728 VanDerWaalsContact O-N 3.07Å; V724-T728 PolarHBondContact O-OG1 3.49Å; R725-T728 PolarHBondContact O-N 3Å; L726-T728 VanDerWaalsContact C-N 3.31Å; L726-T728 PolarHBondContact O-N 3.22Å; T728-T732 WeakPolarHBondContact O-CB 3.33Å; T728-T732 PolarHBondContact O-N 3.02Å; T728-T732 PolarHBondContact O-OG1 3.26Å; T728-I758 HydrophobicContact CG2-CD1 3.52Å; T728-I758 HydrophobicContact CG2-CG1 3.73Å; T728-I758 HydrophobicContact CG2-CG2 4.25Å
729	A	91.7	Very high	91.4	Very high	21 Å²	21	38 Å²	38	17%	0.174	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-48.5	179.8	0	0	0	0	0	112.6	R725 L726 K727 I733 F754	R725-A729 VanDerWaalsContact O-CB 3.27Å; R725-A729 WeakPolarHBondContact O-CB 3.31Å; R725-A729 PolarHBondContact O-N 3.34Å; L726-A729 PolarHBondContact O-N 2.74Å; K727-A729 VanDerWaalsContact C-N 3.33Å; K727-A729 PolarHBondContact O-N 3.4Å; A729-I733 WeakPolarHBondContact O-CD1 3.43Å; A729-I733 VanDerWaalsContact O-CG1 3.25Å; A729-I733 WeakPolarHBondContact O-CG1 3.35Å; A729-I733 PolarHBondContact O-N 3.33Å; A729-F754 HydrophobicContact CB-CE2 4.28Å; A729-F754 HydrophobicContact CB-CZ 3.85Å
730	F	92.9	Very high	90.7	Very high	25 Å²	25	46.5 Å²	46.5	11%	0.11	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-48.1	-178.9	-83.7	-70	0	0	0	112.4	N564 N566 Y692 V694 L726 K727 T732 I733 E734	N564-F730 VanDerWaalsContact C-CE1 3.5Å; N564-F730 HydrophobicContact CB-CE1 4.07Å; N564-F730 HydrophobicContact CB-CZ 4.09Å; N566-F730 HydrophobicContact CB-CB 3.72Å; N566-F730 HydrophobicContact CB-CD1 3.92Å; N566-F730 HydrophobicContact CB-CD2 3.96Å; N566-F730 HydrophobicContact CB-CG 3.61Å; Y692-F730 AromaticContact CD1-CD2 3.59Å; Y692-F730 HydrophobicContact CD1-CD2 3.59Å; Y692-F730 AromaticContact CD1-CE2 3.63Å; Y692-F730 HydrophobicContact CD1-CE2 3.63Å; Y692-F730 AromaticContact CE1-CD2 3.76Å; Y692-F730 HydrophobicContact CE1-CD2 3.76Å; Y692-F730 HydrophobicContact CE1-CE2 4.28Å; V694-F730 HydrophobicContact CG1-CE2 4.5Å; V694-F730 HydrophobicContact CG1-CZ 4.47Å; L726-F730 HydrophobicContact CB-CD2 4.4Å; L726-F730 HydrophobicContact CD2-CE2 4.13Å; L726-F730 WeakPolarHBondContact O-CB 3.23Å; L726-F730 VanDerWaalsContact O-CD2 3.27Å; L726-F730 WeakPolarHBondContact O-CD2 3.21Å; L726-F730 PolarHBondContact O-N 3.1Å; K727-F730 PolarHBondContact O-N 2.87Å; F730-T732 VanDerWaalsContact C-N 3.27Å; F730-T732 PolarHBondContact O-N 2.84Å; F730-I733 PolarHBondContact O-N 3.35Å; F730-E734 WeakPolarHBondContact O-CB 3.23Å; F730-E734 PolarHBondContact O-N 2.82Å
731	E	90.2	Very high	90	Very high	67 Å²	67	50 Å²	50	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-39.7	177.7	-71.5	175.4	178.5	0	0	111.2	K727 E734 A735	K727-E731 WeakPolarHBondContact CE-OE1 3.29Å; K727-E731 HydrophobicContact CG-CG 4.41Å; K727-E731 VanDerWaalsContact CG-OE1 3.26Å; K727-E731 WeakPolarHBondContact CG-OE1 3.48Å; K727-E731 IonicContact NZ-OE1 3.8Å; K727-E731 PolarHBondContact NZ-OE1 2.65Å; K727-E731 IonicContact NZ-OE2 2.81Å; K727-E731 PolarHBondContact NZ-OE2 2.98Å; K727-E731 WeakPolarHBondContact O-CB 3.43Å; K727-E731 WeakPolarHBondContact O-CG 3.5Å; K727-E731 PolarHBondContact O-N 2.95Å; E731-E734 PolarHBondContact O-N 2.91Å; E731-A735 VanDerWaalsContact O-CB 3.28Å; E731-A735 WeakPolarHBondContact O-CB 3.42Å; E731-A735 PolarHBondContact O-N 2.79Å
732	T	86.6	Confident	89.3	Confident	32 Å²	32	52 Å²	52	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-51	174.7	-63.2	0	0	0	0	110.7	T728 F730 E734 A735 H736 F754	T728-T732 WeakPolarHBondContact O-CB 3.33Å; T728-T732 PolarHBondContact O-N 3.02Å; T728-T732 PolarHBondContact O-OG1 3.26Å; F730-T732 VanDerWaalsContact C-N 3.27Å; F730-T732 PolarHBondContact O-N 2.84Å; T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 3.34Å; T732-A735 PolarHBondContact O-N 3.17Å; T732-H736 WeakPolarHBondContact CG2-CE1 3.33Å; T732-H736 WeakPolarHBondContact CG2-ND1 3.35Å; T732-H736 PolarHBondContact O-N 3.32Å; T732-H736 PolarHBondContact O-ND1 3.18Å; T732-F754 HydrophobicContact CG2-CD2 3.95Å; T732-F754 HydrophobicContact CG2-CE2 4.21Å
733	I	87.7	Confident	88.6	Confident	76 Å²	76	55.7 Å²	55.7	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-40.3	179.6	-71.7	164	0	0	0	111.4	A729 F730 S744 F746	A729-I733 WeakPolarHBondContact O-CD1 3.43Å; A729-I733 VanDerWaalsContact O-CG1 3.25Å; A729-I733 WeakPolarHBondContact O-CG1 3.35Å; A729-I733 PolarHBondContact O-N 3.33Å; F730-I733 PolarHBondContact O-N 3.35Å; I733-S744 PolarHBondContact O-OG 3.35Å; I733-F746 HydrophobicContact CG1-CZ 3.96Å
734	E	87.6	Confident	87.9	Confident	134 Å²	134	56.8 Å²	56.8	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-67.4	-42.5	180	-174.4	172.1	-166.9	0	0	112.4	F730 E731 T732 H736	F730-E734 WeakPolarHBondContact O-CB 3.23Å; F730-E734 PolarHBondContact O-N 2.82Å; E731-E734 PolarHBondContact O-N 2.91Å; T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 3.34Å; E734-H736 VanDerWaalsContact C-N 3.32Å; E734-H736 PolarHBondContact O-N 2.84Å
735	A	86.3	Confident	87.4	Confident	84 Å²	84	61.4 Å²	61.4	69%	0.694	34%	0.342	S	S	*	.	H	α-helix	trans	-73.9	-19.6	179.2	0	0	0	0	0	113.8	E731 T732	E731-A735 VanDerWaalsContact O-CB 3.28Å; E731-A735 WeakPolarHBondContact O-CB 3.42Å; E731-A735 PolarHBondContact O-N 2.79Å; T732-A735 PolarHBondContact O-N 3.17Å
736	H	85.9	Confident	86.9	Confident	26 Å²	26	63.7 Å²	63.7	12%	0.12	35%	0.353	C	S	.	.	S	Bend	trans	-68.1	145	-178.4	-90	66.3	0	0	0	112.5	T732 E734 K738 F746	T732-H736 WeakPolarHBondContact CG2-CE1 3.33Å; T732-H736 WeakPolarHBondContact CG2-ND1 3.35Å; T732-H736 PolarHBondContact O-N 3.32Å; T732-H736 PolarHBondContact O-ND1 3.18Å; E734-H736 VanDerWaalsContact C-N 3.32Å; E734-H736 PolarHBondContact O-N 2.84Å; H736-K738 PolarHBondContact O-N 3.06Å; H736-F746 HydrophobicContact CB-CE1 4.5Å; H736-F746 HydrophobicContact CB-CZ 4.35Å; H736-F746 AromaticContact CD2-CD1 3.64Å; H736-F746 AromaticContact CD2-CE1 3.45Å; H736-F746 VanDerWaalsContact CD2-CE1 3.45Å; H736-F746 WeakPolarHBondContact CD2-CE1 3.28Å; H736-F746 AromaticContact CE1-CE1 3.79Å; H736-F746 AromaticContact CG-CE1 3.69Å; H736-F746 AromaticContact CG-CZ 3.99Å; H736-F746 AromaticContact ND1-CE1 3.89Å; H736-F746 AromaticContact NE2-CD1 3.73Å; H736-F746 AromaticContact NE2-CE1 3.53Å
737	P	86.4	Confident	86.6	Confident	89 Å²	89	65.7 Å²	65.7	58%	0.578	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-55.9	132.2	175.7	-23.8	33.4	0	0	0	111.7	L745	P737-L745 WeakPolarHBondContact O-CB 3.25Å; P737-L745 PolarHBondContact O-N 3.08Å
738	K	86.8	Confident	86.4	Confident	110 Å²	110	69.2 Å²	69.2	48%	0.478	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-102.5	146.5	179.3	-65.4	171.6	-176.3	172.6	0	111	H736 G742 T743	H736-K738 PolarHBondContact O-N 3.06Å; K738-G742 WeakPolarHBondContact CD-O 3.46Å; K738-T743 CarbonylContact C-O 3.52Å; K738-T743 VanDerWaalsContact CA-O 3.28Å; K738-T743 WeakPolarHBondContact CA-O 3.35Å
739	N	84.4	Confident	86.3	Confident	56 Å²	56	75.7 Å²	75.7	30%	0.299	43%	0.428	S	S	.	.			trans	-73.3	-176.8	169.8	72.3	3.5	0	0	0	111.1	E741 G742 T743 L745	N739-E741 PolarHBondContact O-N 2.94Å; N739-E741 VanDerWaalsContact O-N 3.14Å; N739-E741 WeakPolarHBondContact OD1-CA 3.36Å; N739-E741 WeakPolarHBondContact OD1-CB 2.93Å; N739-E741 PolarHBondContact OD1-N 2.85Å; N739-G742 PolarHBondContact O-N 3.3Å; N739-G742 VanDerWaalsContact O-N 3.08Å; N739-G742 PolarHBondContact OD1-N 2.99Å; N739-T743 PolarHBondContact N-O 3.04Å; N739-T743 PolarHBondContact OD1-N 2.95Å; N739-T743 PolarHBondContact OD1-O 2.85Å; N739-L745 HydrophobicContact CB-CD1 4.28Å; N739-L745 HydrophobicContact CB-CD2 4.23Å; N739-L745 HydrophobicContact CB-CG 4.31Å
740	I	82.3	Confident	86.1	Confident	179 Å²	179	76.3 Å²	76.3	92%	0.918	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	179.9	-60.9	169.9	0	0	0	112.2
741	E	81.2	Confident	85.8	Confident	75 Å²	75	82.4 Å²	82.4	35%	0.35	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.4	-178.2	-63.6	170.9	-175.9	0	0	112.5	D11 V14 N739	D11-E741 VanDerWaalsContact CB-OE1 3.26Å; D11-E741 WeakPolarHBondContact CB-OE1 3.44Å; V14-E741 HydrophobicContact CG2-CB 3.56Å; V14-E741 HydrophobicContact CG2-CG 3.57Å; N739-E741 PolarHBondContact O-N 2.94Å; N739-E741 VanDerWaalsContact O-N 3.14Å; N739-E741 WeakPolarHBondContact OD1-CA 3.36Å; N739-E741 WeakPolarHBondContact OD1-CB 2.93Å; N739-E741 PolarHBondContact OD1-N 2.85Å
742	G	80.9	Confident	85.8	Confident	45 Å²	45	84.4 Å²	84.4	46%	0.464	46%	0.464	S	S	.	.	S	Bend	trans	86.5	4.6	-179.1	0	0	0	0	0	114.7	K738 N739	K738-G742 WeakPolarHBondContact CD-O 3.46Å; N739-G742 PolarHBondContact O-N 3.3Å; N739-G742 VanDerWaalsContact O-N 3.08Å; N739-G742 PolarHBondContact OD1-N 2.99Å
743	T	82.5	Confident	85.7	Confident	79 Å²	79	88.3 Å²	88.3	49%	0.485	48%	0.475	S	S	.	.			trans	-79.9	129.5	177.5	-42	0	0	0	0	111.1	K738 N739	K738-T743 CarbonylContact C-O 3.52Å; K738-T743 VanDerWaalsContact CA-O 3.28Å; K738-T743 WeakPolarHBondContact CA-O 3.35Å; N739-T743 PolarHBondContact N-O 3.04Å; N739-T743 PolarHBondContact OD1-N 2.95Å; N739-T743 PolarHBondContact OD1-O 2.85Å
744	S	83.4	Confident	85.5	Confident	24 Å²	24	87.6 Å²	87.6	17%	0.168	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-64.5	134.8	175.9	-54.9	0	0	0	0	111.6	I733	I733-S744 PolarHBondContact O-OG 3.35Å
745	L	83.5	Confident	85.4	Confident	96 Å²	96	83.9 Å²	83.9	50%	0.503	46%	0.458	S	S	.	.			trans	-98.3	114.1	-179.1	-66.6	169.6	0	0	0	109.9	P737 N739	P737-L745 WeakPolarHBondContact O-CB 3.25Å; P737-L745 PolarHBondContact O-N 3.08Å; N739-L745 HydrophobicContact CB-CD1 4.28Å; N739-L745 HydrophobicContact CB-CD2 4.23Å; N739-L745 HydrophobicContact CB-CG 4.31Å
746	F	83.9	Confident	85.5	Confident	92 Å²	92	85.6 Å²	85.6	40%	0.404	46%	0.459	S	S	.	.			trans	-108.6	128.8	174.6	-67.3	-86.2	0	0	0	110.4	I733 H736 D750	I733-F746 HydrophobicContact CG1-CZ 3.96Å; H736-F746 HydrophobicContact CB-CE1 4.5Å; H736-F746 HydrophobicContact CB-CZ 4.35Å; H736-F746 AromaticContact CD2-CD1 3.64Å; H736-F746 AromaticContact CD2-CE1 3.45Å; H736-F746 VanDerWaalsContact CD2-CE1 3.45Å; H736-F746 WeakPolarHBondContact CD2-CE1 3.28Å; H736-F746 AromaticContact CE1-CE1 3.79Å; H736-F746 AromaticContact CG-CE1 3.69Å; H736-F746 AromaticContact CG-CZ 3.99Å; H736-F746 AromaticContact ND1-CE1 3.89Å; H736-F746 AromaticContact NE2-CD1 3.73Å; H736-F746 AromaticContact NE2-CE1 3.53Å; F746-D750 HydrophobicContact CB-CB 4.49Å; F746-D750 HydrophobicContact CD1-CB 4.05Å
747	S	88.5	Confident	85.5	Confident	55 Å²	55	88.5 Å²	88.5	39%	0.385	47%	0.47	S	S	.	.			trans	-79.1	166.7	163.6	73.7	0	0	0	0	110.9	E749 D750 Y751	S747-E749 PolarHBondContact O-N 3.29Å; S747-E749 PolarHBondContact OG-N 2.99Å; S747-D750 VanDerWaalsContact CB-OD2 3.24Å; S747-D750 WeakPolarHBondContact CB-OD2 3.46Å; S747-D750 PolarHBondContact N-OD2 2.67Å; S747-D750 PolarHBondContact O-N 3.29Å; S747-D750 PolarHBondContact OG-N 3.09Å; S747-D750 VanDerWaalsContact OG-N 3.07Å; S747-D750 PolarHBondContact OG-OD2 3.26Å; S747-Y751 PolarHBondContact O-N 2.95Å
748	A	90.2	Very high	85	Confident	78 Å²	78	86.1 Å²	86.1	65%	0.645	45%	0.452	S	S	*	.	H	α-helix	trans	-59.2	-33.9	172.1	0	0	0	0	0	111.9	L752	A748-L752 WeakPolarHBondContact O-CB 3.49Å; A748-L752 VanDerWaalsContact O-CG 3.24Å; A748-L752 WeakPolarHBondContact O-CG 3.29Å; A748-L752 PolarHBondContact O-N 3.43Å
749	E	90.4	Very high	84.9	Confident	147 Å²	147	85 Å²	85	69%	0.687	45%	0.451	S	S	*	.	H	α-helix	trans	-69	-42.4	176.3	-174.2	174.3	174.9	0	0	111.5	S747 Y751 L752 R753	S747-E749 PolarHBondContact O-N 3.29Å; S747-E749 PolarHBondContact OG-N 2.99Å; E749-Y751 VanDerWaalsContact C-N 3.34Å; E749-Y751 PolarHBondContact O-N 2.73Å; E749-L752 PolarHBondContact O-N 2.99Å; E749-R753 VanDerWaalsContact O-CB 3.29Å; E749-R753 WeakPolarHBondContact O-CB 3.46Å; E749-R753 PolarHBondContact O-N 3.25Å
750	D	87.3	Confident	84.9	Confident	34 Å²	34	86.5 Å²	86.5	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-60.8	-45.3	176.5	-61.5	-54	0	0	0	111.1	F746 S747 R753 F754	F746-D750 HydrophobicContact CB-CB 4.49Å; F746-D750 HydrophobicContact CD1-CB 4.05Å; S747-D750 VanDerWaalsContact CB-OD2 3.24Å; S747-D750 WeakPolarHBondContact CB-OD2 3.46Å; S747-D750 PolarHBondContact N-OD2 2.67Å; S747-D750 PolarHBondContact O-N 3.29Å; S747-D750 PolarHBondContact OG-N 3.09Å; S747-D750 VanDerWaalsContact OG-N 3.07Å; S747-D750 PolarHBondContact OG-OD2 3.26Å; D750-R753 PolarHBondContact O-N 3.21Å; D750-R753 IonicContact OD1-CZ 3.83Å; D750-R753 IonicContact OD1-NH2 2.84Å; D750-R753 PolarHBondContact OD1-NH2 2.84Å; D750-F754 WeakPolarHBondContact O-CB 3.32Å; D750-F754 PolarHBondContact O-N 3.48Å
751	Y	85.9	Confident	85.1	Confident	153 Å²	153	81.3 Å²	81.3	60%	0.6	43%	0.433	S	S	*	.	H	α-helix	trans	-62	-47.1	176.8	179.7	-98.7	0	0	0	112	S747 E749 F754 S755	S747-Y751 PolarHBondContact O-N 2.95Å; E749-Y751 VanDerWaalsContact C-N 3.34Å; E749-Y751 PolarHBondContact O-N 2.73Å; Y751-F754 PolarHBondContact O-N 3.14Å; Y751-S755 VanDerWaalsContact O-CB 3.28Å; Y751-S755 WeakPolarHBondContact O-CB 3.47Å; Y751-S755 PolarHBondContact O-N 2.88Å; Y751-S755 PolarHBondContact O-OG 3.08Å; Y751-S755 VanDerWaalsContact O-OG 3.1Å
752	L	89.8	Confident	85.3	Confident	108 Å²	108	81.7 Å²	81.7	57%	0.565	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-46.8	178.7	-74.8	171.6	0	0	0	111.4	A748 E749 F754 S755 V756	A748-L752 WeakPolarHBondContact O-CB 3.49Å; A748-L752 VanDerWaalsContact O-CG 3.24Å; A748-L752 WeakPolarHBondContact O-CG 3.29Å; A748-L752 PolarHBondContact O-N 3.43Å; E749-L752 PolarHBondContact O-N 2.99Å; L752-F754 PolarHBondContact O-N 3.39Å; L752-S755 WeakPolarHBondContact CA-OG 3.14Å; L752-S755 PolarHBondContact O-N 3.21Å; L752-S755 PolarHBondContact O-OG 2.68Å; L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 2.88Å; L752-V756 PolarHBondContact O-N 2.95Å
753	R	85.5	Confident	85.6	Confident	114 Å²	114	84 Å²	84	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-57.8	-49.7	176.8	-177.2	-177.7	66.2	-151.5	-12	111	E749 D750 S755 V756 Y757	E749-R753 VanDerWaalsContact O-CB 3.29Å; E749-R753 WeakPolarHBondContact O-CB 3.46Å; E749-R753 PolarHBondContact O-N 3.25Å; D750-R753 PolarHBondContact O-N 3.21Å; D750-R753 IonicContact OD1-CZ 3.83Å; D750-R753 IonicContact OD1-NH2 2.84Å; D750-R753 PolarHBondContact OD1-NH2 2.84Å; R753-S755 PolarHBondContact O-N 3.34Å; R753-V756 PolarHBondContact O-N 3.22Å; R753-Y757 WeakPolarHBondContact O-CB 3.21Å; R753-Y757 PolarHBondContact O-N 3.4Å
754	F	83.9	Confident	85.8	Confident	62 Å²	62	84.3 Å²	84.3	27%	0.272	43%	0.433	S	S	.	.	H	α-helix	trans	-57.9	-48.3	177.9	177.3	-89.5	0	0	0	111.7	A729 T732 D750 Y751 L752 V756 I758	A729-F754 HydrophobicContact CB-CE2 4.28Å; A729-F754 HydrophobicContact CB-CZ 3.85Å; T732-F754 HydrophobicContact CG2-CD2 3.95Å; T732-F754 HydrophobicContact CG2-CE2 4.21Å; D750-F754 WeakPolarHBondContact O-CB 3.32Å; D750-F754 PolarHBondContact O-N 3.48Å; Y751-F754 PolarHBondContact O-N 3.14Å; L752-F754 PolarHBondContact O-N 3.39Å; F754-V756 PolarHBondContact O-N 3.47Å; F754-I758 HydrophobicContact CD1-CD1 4.45Å; F754-I758 HydrophobicContact CD2-CD1 3.1Å; F754-I758 HydrophobicContact CD2-CG1 4.43Å; F754-I758 HydrophobicContact CE1-CD1 4.42Å; F754-I758 HydrophobicContact CE2-CD1 3.06Å; F754-I758 HydrophobicContact CG-CD1 3.84Å; F754-I758 HydrophobicContact CZ-CD1 3.77Å; F754-I758 PolarHBondContact O-N 3.01Å
755	S	85.2	Confident	86	Confident	56 Å²	56	88.6 Å²	88.6	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-69	-17	-175.7	67.9	0	0	0	0	115	Y751 L752 R753	Y751-S755 VanDerWaalsContact O-CB 3.28Å; Y751-S755 WeakPolarHBondContact O-CB 3.47Å; Y751-S755 PolarHBondContact O-N 2.88Å; Y751-S755 PolarHBondContact O-OG 3.08Å; Y751-S755 VanDerWaalsContact O-OG 3.1Å; L752-S755 WeakPolarHBondContact CA-OG 3.14Å; L752-S755 PolarHBondContact O-N 3.21Å; L752-S755 PolarHBondContact O-OG 2.68Å; R753-S755 PolarHBondContact O-N 3.34Å
756	V	87.7	Confident	86.2	Confident	119 Å²	119	88.1 Å²	88.1	72%	0.721	45%	0.448	S	S	*	.	H	α-helix	trans	-105.4	-34.2	-176.7	174.7	0	0	0	0	112	L752 R753 F754	L752-V756 VanDerWaalsContact O-CG2 3.29Å; L752-V756 WeakPolarHBondContact O-CG2 2.88Å; L752-V756 PolarHBondContact O-N 2.95Å; R753-V756 PolarHBondContact O-N 3.22Å; F754-V756 PolarHBondContact O-N 3.47Å
757	Y	85.2	Confident	86.3	Confident	88 Å²	88	87.8 Å²	87.8	35%	0.345	45%	0.452	S	S	.	.	H	α-helix	trans	-88.6	-29.1	-172.4	-161.6	-117.6	0	0	0	114.1	A638 D641 L644 R753	A638-Y757 HydrophobicContact CB-CD1 4.15Å; A638-Y757 HydrophobicContact CB-CE1 4.03Å; A638-Y757 WeakPolarHBondContact CB-O 3.32Å; D641-Y757 PolarHBondContact OD2-OH 3.31Å; L644-Y757 HydrophobicContact CD2-CD1 3.48Å; L644-Y757 VanDerWaalsContact CD2-CD1 3.48Å; L644-Y757 HydrophobicContact CD2-CE1 3.34Å; L644-Y757 HydrophobicContact CD2-CE2 4.47Å; L644-Y757 HydrophobicContact CD2-CG 4.12Å; R753-Y757 WeakPolarHBondContact O-CB 3.21Å; R753-Y757 PolarHBondContact O-N 3.4Å
758	I	76.6	Confident	86.1	Confident	39 Å²	39	90.7 Å²	90.7	20%	0.2	46%	0.458	C	S	.	.			trans	-94.4	0	178.3	-56.2	170.6	0	0	0	109.4	R725 T728 F754	R725-I758 HydrophobicContact CB-CG2 4.42Å; R725-I758 HydrophobicContact CG-CG2 4.06Å; R725-I758 PolarHBondContact NE-O 3.21Å; R725-I758 PolarHBondContact NH2-O 2.77Å; T728-I758 HydrophobicContact CG2-CD1 3.52Å; T728-I758 HydrophobicContact CG2-CG1 3.73Å; T728-I758 HydrophobicContact CG2-CG2 4.25Å; F754-I758 HydrophobicContact CD1-CD1 4.45Å; F754-I758 HydrophobicContact CD2-CD1 3.1Å; F754-I758 HydrophobicContact CD2-CG1 4.43Å; F754-I758 HydrophobicContact CE1-CD1 4.42Å; F754-I758 HydrophobicContact CE2-CD1 3.06Å; F754-I758 HydrophobicContact CG-CD1 3.84Å; F754-I758 HydrophobicContact CZ-CD1 3.77Å; F754-I758 PolarHBondContact O-N 3.01Å

Retrieved 758 of 758 residues in 241.1 ms (Link to these results)

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