A0A5K4FDQ3_SCHMA Loading...

IPPc domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 431 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	38.6	Very low	243 Å²	243	157.1 Å²	157.1	100%	1.197	88%	0.878	S	S	*	*				0	136.3	0	-82.4	-171.7	167.1	0	0	107.3
2	D	40	Very low	38.4	Very low	154 Å²	154	153.6 Å²	153.6	82%	0.824	87%	0.872	S	S	*	*			trans	-39.3	147.6	-168.6	-59.8	-55	0	0	0	117.2
3	P	46.5	Very low	38.1	Very low	126 Å²	126	149.9 Å²	149.9	82%	0.818	86%	0.862	S	S	*	*			trans	-98.9	127.9	133.7	18.9	-1.4	0	0	0	109.9
4	Q	38.5	Very low	37.9	Very low	186 Å²	186	151.2 Å²	151.2	87%	0.869	86%	0.863	S	S	*	*			trans	-59.3	135.1	174.5	-61.4	-175	-28.7	0	0	112
5	E	38.9	Very low	37.5	Very low	201 Å²	201	156.1 Å²	156.1	94%	0.939	86%	0.862	S	S	*	*			trans	-122.7	113.3	150.7	-96.7	-173.9	169.7	0	0	109.5
6	S	38.4	Very low	37.1	Very low	111 Å²	111	156.1 Å²	156.1	78%	0.776	86%	0.858	S	S	*	*			trans	-80.3	139.3	-176.2	56.1	0	0	0	0	112.2
7	T	33.2	Very low	36.7	Very low	140 Å²	140	156.8 Å²	156.8	86%	0.859	85%	0.854	S	S	*	*			trans	-46.9	136	167.7	52.2	0	0	0	0	115.6
8	S	36.1	Very low	36.3	Very low	127 Å²	127	156.7 Å²	156.7	89%	0.888	85%	0.851	S	S	*	*			trans	-125.9	125.4	152.3	63.5	0	0	0	0	110.4
9	K	32.7	Very low	36.1	Very low	200 Å²	200	156.8 Å²	156.8	87%	0.87	85%	0.851	S	S	*	*			trans	-127.6	167.9	178.9	-126.6	-168.6	-166	-176.9	0	106.6
10	P	43.2	Very low	35.9	Very low	118 Å²	118	155.6 Å²	155.6	77%	0.766	85%	0.849	S	S	*	*				-119.7	166.2	-81.8	32.8	-15.4	0	0	0	112.5
11	S	37.4	Very low	35.7	Very low	122 Å²	122	153.9 Å²	153.9	85%	0.853	85%	0.846	S	S	*	*			trans	-109.9	114.3	163.5	79.8	0	0	0	0	111
12	S	35.4	Very low	35.3	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	83%	0.826	S	S	*	*			trans	-66.5	118.6	172	51	0	0	0	0	111.7
13	S	35.3	Very low	35.1	Very low	106 Å²	106	145 Å²	145	74%	0.741	83%	0.825	S	S	*	*			trans	-98.9	112.6	162.1	63.8	0	0	0	0	109.4	R15	S13-R15 PolarHBondContact O-N 3.24Å; S13-R15 VanDerWaalsContact O-N 3.16Å
14	L	35.4	Very low	34.3	Very low	168 Å²	168	146 Å²	146	88%	0.88	82%	0.824	S	S	*	*			trans	-54.5	109.8	172.6	-75.7	136.6	0	0	0	110.7
15	R	31.1	Very low	33.9	Very low	224 Å²	224	143.3 Å²	143.3	85%	0.845	82%	0.82	S	S	*	*			trans	-89.1	115.5	161.7	-84.8	-174.6	177.1	-177	0	107.8	S13 E17	S13-R15 PolarHBondContact O-N 3.24Å; S13-R15 VanDerWaalsContact O-N 3.16Å; R15-E17 PolarHBondContact O-N 3.04Å
16	I	31	Very low	33.6	Very low	156 Å²	156	143.7 Å²	143.7	80%	0.8	82%	0.819	S	S	*	*			trans	-79.7	97.8	167.8	-61.1	171.8	0	0	0	105.6
17	E	30.5	Very low	33.2	Very low	168 Å²	168	142.9 Å²	142.9	79%	0.785	81%	0.813	S	S	*	*			trans	-74.3	120.5	166.5	-86.2	177.3	159.8	0	0	108.3	R15 D19	R15-E17 PolarHBondContact O-N 3.04Å; E17-D19 PolarHBondContact O-N 3.34Å
18	L	29.4	Very low	32.9	Very low	155 Å²	155	142.7 Å²	142.7	81%	0.812	81%	0.812	S	S	*	*			trans	-81.4	109.6	170.3	-79.1	157.6	0	0	0	107.3	V20	L18-V20 PolarHBondContact O-N 3.32Å; L18-V20 VanDerWaalsContact O-N 3.08Å
19	D	32.9	Very low	32.6	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	81%	0.806	S	S	*	*			trans	-57.4	109.4	171.9	-77.2	-39.6	0	0	0	110	E17 P21	E17-D19 PolarHBondContact O-N 3.34Å; D19-P21 WeakPolarHBondContact O-CD 3.21Å
20	V	32.8	Very low	32.2	Very low	132 Å²	132	138.6 Å²	138.6	80%	0.8	80%	0.804	S	S	*	*			trans	-86	115.1	167.4	-178	0	0	0	0	106.5	L18 S22	L18-V20 PolarHBondContact O-N 3.32Å; L18-V20 VanDerWaalsContact O-N 3.08Å; V20-S22 PolarHBondContact O-N 3.11Å
21	P	31.4	Very low	31.7	Very low	121 Å²	121	137.5 Å²	137.5	79%	0.786	80%	0.798	S	S	*	*			trans	-63.2	122.5	-176.5	-19.1	31	0	0	0	110.6	D19 A23	D19-P21 WeakPolarHBondContact O-CD 3.21Å; P21-A23 PolarHBondContact O-N 3.42Å
22	S	32.1	Very low	31.2	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	79%	0.79	S	S	*	*			trans	-61.9	128.4	173.3	51.8	0	0	0	0	110.3	V20 D24	V20-S22 PolarHBondContact O-N 3.11Å; S22-D24 VanDerWaalsContact C-N 3.34Å; S22-D24 PolarHBondContact O-N 2.69Å
23	A	34.6	Very low	30.9	Very low	98 Å²	98	139.2 Å²	139.2	81%	0.81	79%	0.791	S	S	*	*	S	Bend	trans	-71	86.2	175.3	0	0	0	0	0	110	P21	P21-A23 PolarHBondContact O-N 3.42Å
24	D	29.2	Very low	30.5	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	80%	0.799	S	S	*	*			trans	-169.7	97.5	158	-93.6	-28.2	0	0	0	109.3	S22	S22-D24 VanDerWaalsContact C-N 3.34Å; S22-D24 PolarHBondContact O-N 2.69Å
25	T	30.5	Very low	30.3	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	79%	0.794	S	S	*	*			trans	147.1	102.4	148.9	38.9	0	0	0	0	109.5
26	F	33.2	Very low	30.1	Very low	209 Å²	209	142.1 Å²	142.1	92%	0.917	80%	0.797	S	S	*	*				-154.8	120.6	126.5	-98.2	-69.5	0	0	0	109.3
27	S	30.3	Very low	30.3	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	80%	0.796	S	S	*	*			trans	-56.3	148.2	178.5	47.7	0	0	0	0	114	V29	S27-V29 PolarHBondContact O-N 2.75Å
28	T	26.1	Very low	30.4	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	80%	0.799	S	S	*	*			trans	-26.3	116.7	157.8	48	0	0	0	0	115
29	V	30.2	Very low	30.6	Very low	126 Å²	126	133.2 Å²	133.2	76%	0.764	79%	0.785	S	S	*	*			trans	-118.3	99.7	151.8	-179.5	0	0	0	0	107.4	S27 S31	S27-V29 PolarHBondContact O-N 2.75Å; V29-S31 PolarHBondContact O-N 2.92Å
30	S	25.2	Very low	30.6	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	79%	0.786	S	S	*	*			trans	-69.7	116.5	163.4	155.5	0	0	0	0	108
31	S	32.1	Very low	30.8	Very low	94 Å²	94	131 Å²	131	66%	0.657	78%	0.782	S	S	*	*			trans	-143.8	102.5	161.7	-70	0	0	0	0	107.3	V29 Y33	V29-S31 PolarHBondContact O-N 2.92Å; S31-Y33 PolarHBondContact O-N 3.33Å
32	G	25.8	Very low	31.1	Very low	66 Å²	66	129.4 Å²	129.4	68%	0.68	78%	0.775	S	S	*	*			trans	-65.3	124.8	179.2	0	0	0	0	0	111
33	Y	29.3	Very low	31.6	Very low	207 Å²	207	128.3 Å²	128.3	81%	0.812	77%	0.767	S	S	*	*			trans	-134.4	106.7	146.8	-77.5	-78.1	0	0	0	107.4	S31 L35	S31-Y33 PolarHBondContact O-N 3.33Å; Y33-L35 PolarHBondContact O-N 3.46Å
34	N	27.2	Very low	31.9	Very low	171 Å²	171	133.1 Å²	133.1	91%	0.914	77%	0.77	S	S	*	*			trans	-63.2	86.1	168.1	-79.6	-51.2	0	0	0	108.8
35	L	30.8	Very low	32.7	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	76%	0.763	S	S	*	*			trans	-111.3	97.2	163.6	-70.5	172.3	0	0	0	106.7	Y33 P37	Y33-L35 PolarHBondContact O-N 3.46Å; L35-P37 WeakPolarHBondContact O-CD 3.47Å
36	R	28.2	Very low	33.4	Very low	238 Å²	238	127.9 Å²	127.9	90%	0.898	75%	0.745	S	S	*	*			trans	-55.3	118.1	166.5	-75.5	-178	172.9	-150.2	-1.1	107.6	S38	R36-S38 VanDerWaalsContact C-N 3.27Å; R36-S38 PolarHBondContact O-N 2.88Å
37	P	34.9	Very low	34.5	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	74%	0.736	S	S	*	*			trans	-75	92.1	166.5	-4.9	23.6	0	0	0	106.8	L35 G39	L35-P37 WeakPolarHBondContact O-CD 3.47Å; P37-G39 PolarHBondContact O-N 3.15Å
38	S	32.3	Very low	35.8	Very low	120 Å²	120	127.4 Å²	127.4	84%	0.839	74%	0.744	S	S	*	*			trans	-61.9	113.1	154.2	52.4	0	0	0	0	107.4	R36	R36-S38 VanDerWaalsContact C-N 3.27Å; R36-S38 PolarHBondContact O-N 2.88Å
39	G	32.4	Very low	37.6	Very low	50 Å²	50	125.5 Å²	125.5	52%	0.515	73%	0.732	S	S	.	*	S	Bend	trans	119.5	95.8	-176.3	0	0	0	0	0	109.8	P37 V41	P37-G39 PolarHBondContact O-N 3.15Å; G39-V41 PolarHBondContact O-N 3.02Å
40	S	34	Very low	39.4	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	72%	0.716	S	S	*	*			trans	-63.5	89.8	155.5	-164.9	0	0	0	0	105.5	S42	S40-S42 PolarHBondContact O-N 2.94Å
41	V	36.2	Very low	41.6	Very low	119 Å²	119	119.9 Å²	119.9	72%	0.721	70%	0.699	S	S	*	*			trans	-59.3	100.5	155.4	-176.7	0	0	0	0	101.9	G39 S43	G39-V41 PolarHBondContact O-N 3.02Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.05Å
42	S	38.1	Very low	43.7	Very low	89 Å²	89	123.9 Å²	123.9	62%	0.622	70%	0.704	S	S	*	*			trans	-45.2	109.5	170	53	0	0	0	0	105	S40 F44	S40-S42 PolarHBondContact O-N 2.94Å; S42-F44 PolarHBondContact O-N 3.16Å
43	S	42.7	Very low	45.9	Very low	88 Å²	88	124.4 Å²	124.4	62%	0.615	70%	0.698	S	S	*	*			trans	-45.7	119.9	174.8	46.2	0	0	0	0	105.6	V41 V45	V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.05Å; S43-V45 PolarHBondContact O-N 2.9Å; S43-V45 WeakPolarHBondContact OG-CG2 3.24Å
44	F	41.8	Very low	47.7	Very low	199 Å²	199	117.5 Å²	117.5	87%	0.873	67%	0.673	S	S	*	*			trans	-60.5	77	156.6	-73.7	-91.5	0	0	0	104.9	S42 S46	S42-F44 PolarHBondContact O-N 3.16Å; F44-S46 PolarHBondContact O-N 2.93Å
45	V	45.1	Very low	49.6	Very low	106 Å²	106	115.5 Å²	115.5	64%	0.642	66%	0.662	S	S	*	*			trans	-55.2	113.4	166.8	179.6	0	0	0	0	102.4	S43 S47	S43-V45 PolarHBondContact O-N 2.9Å; S43-V45 WeakPolarHBondContact OG-CG2 3.24Å; V45-S47 PolarHBondContact O-N 3.3Å
46	S	46.1	Very low	51.5	Low	61 Å²	61	113.9 Å²	113.9	43%	0.427	66%	0.658	S	S	.	*			trans	-48.9	110.4	179.5	54.1	0	0	0	0	107.5	F44 F48 T49	F44-S46 PolarHBondContact O-N 2.93Å; S46-F48 PolarHBondContact O-N 2.81Å; S46-T49 PolarHBondContact O-N 2.87Å; S46-T49 PolarHBondContact O-OG1 2.85Å; S46-T49 VanDerWaalsContact O-OG1 3.13Å; S46-T49 PolarHBondContact OG-OG1 3.48Å
47	S	55.9	Low	53.4	Low	103 Å²	103	105.5 Å²	105.5	72%	0.72	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	0.2	-179	57.9	0	0	0	0	113.3	V45	V45-S47 PolarHBondContact O-N 3.3Å
48	F	56.4	Low	54.7	Low	189 Å²	189	102.8 Å²	102.8	83%	0.829	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-19.2	179.3	-62.3	-72.1	0	0	0	114.1	S46 A50	S46-F48 PolarHBondContact O-N 2.81Å; F48-A50 PolarHBondContact O-N 2.85Å
49	T	63.8	Low	56.1	Low	96 Å²	96	100.6 Å²	100.6	59%	0.589	59%	0.588	S	S	*	*			trans	-83.1	99.3	-179.8	45.5	0	0	0	0	110.5	S46	S46-T49 PolarHBondContact O-N 2.87Å; S46-T49 PolarHBondContact O-OG1 2.85Å; S46-T49 VanDerWaalsContact O-OG1 3.13Å; S46-T49 PolarHBondContact OG-OG1 3.48Å
50	A	68.4	Low	57.3	Low	50 Å²	50	104.3 Å²	104.3	41%	0.413	59%	0.587	S	S	.	*			trans	-69.7	134.8	169.5	0	0	0	0	0	110	F48 L55	F48-A50 PolarHBondContact O-N 2.85Å; A50-L55 HydrophobicContact CB-CD1 4.33Å; A50-L55 HydrophobicContact CB-CD2 3.72Å; A50-L55 HydrophobicContact CB-CG 3.76Å
51	T	71.8	Confident	58.4	Low	75 Å²	75	105.1 Å²	105.1	46%	0.46	58%	0.581	S	S	.	*			trans	-68.2	153.4	172	63.5	0	0	0	0	110.3	S53 E54 L55	T51-S53 PolarHBondContact O-N 3.04Å; T51-S53 VanDerWaalsContact O-N 3.16Å; T51-E54 PolarHBondContact N-OE2 3.33Å; T51-E54 PolarHBondContact O-N 2.89Å; T51-E54 WeakPolarHBondContact OG1-CB 3.3Å; T51-E54 VanDerWaalsContact OG1-CG 3.23Å; T51-E54 WeakPolarHBondContact OG1-CG 3.26Å; T51-E54 PolarHBondContact OG1-N 3.14Å; T51-E54 VanDerWaalsContact OG1-N 3.14Å; T51-E54 PolarHBondContact OG1-OE2 2.67Å; T51-L55 PolarHBondContact O-N 3.25Å
52	K	75.6	Confident	59.2	Low	177 Å²	177	104.2 Å²	104.2	77%	0.77	58%	0.575	S	S	*	*	H	α-helix	trans	-53.2	-36.9	172.5	-175.2	177.3	179.2	179.1	0	111.7	V56	K52-V56 HydrophobicContact CG-CG2 4.49Å; K52-V56 WeakPolarHBondContact O-CB 3.36Å; K52-V56 WeakPolarHBondContact O-CG2 3.28Å; K52-V56 PolarHBondContact O-N 3.39Å; K52-V56 VanDerWaalsContact O-N 3.11Å
53	S	72.2	Confident	60	Low	78 Å²	78	101.7 Å²	101.7	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-62.7	-46.7	176.4	-174.4	0	0	0	0	112.1	T51 V56 T57	T51-S53 PolarHBondContact O-N 3.04Å; T51-S53 VanDerWaalsContact O-N 3.16Å; S53-V56 PolarHBondContact O-N 3.45Å; S53-T57 WeakPolarHBondContact O-CB 3.38Å; S53-T57 VanDerWaalsContact O-CG2 3.3Å; S53-T57 WeakPolarHBondContact O-CG2 3.45Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 PolarHBondContact O-OG1 3.02Å
54	E	68.5	Low	60.5	Low	61 Å²	61	100.8 Å²	100.8	29%	0.285	56%	0.557	S	S	.	*	H	α-helix	trans	-63.2	-43.7	177.2	-75.4	173.7	117	0	0	112.4	T51 V56 T57 K58	T51-E54 PolarHBondContact N-OE2 3.33Å; T51-E54 PolarHBondContact O-N 2.89Å; T51-E54 WeakPolarHBondContact OG1-CB 3.3Å; T51-E54 VanDerWaalsContact OG1-CG 3.23Å; T51-E54 WeakPolarHBondContact OG1-CG 3.26Å; T51-E54 PolarHBondContact OG1-N 3.14Å; T51-E54 VanDerWaalsContact OG1-N 3.14Å; T51-E54 PolarHBondContact OG1-OE2 2.67Å; E54-V56 PolarHBondContact O-N 2.66Å; E54-T57 PolarHBondContact O-N 3.06Å; E54-K58 HydrophobicContact CB-CD 4.19Å; E54-K58 HydrophobicContact CG-CD 4.46Å; E54-K58 WeakPolarHBondContact O-CB 3.38Å; E54-K58 PolarHBondContact O-N 3.3Å; E54-K58 IonicContact OE1-NZ 2.64Å; E54-K58 PolarHBondContact OE1-NZ 3.06Å
55	L	67.4	Low	61.2	Low	129 Å²	129	95.8 Å²	95.8	68%	0.675	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-32.1	178.5	-70.2	175.3	0	0	0	112.7	A50 T51	A50-L55 HydrophobicContact CB-CD1 4.33Å; A50-L55 HydrophobicContact CB-CD2 3.72Å; A50-L55 HydrophobicContact CB-CG 3.76Å; T51-L55 PolarHBondContact O-N 3.25Å
56	V	70.7	Confident	61.5	Low	116 Å²	116	94.9 Å²	94.9	70%	0.703	54%	0.542	S	S	*	.	H	α-helix	trans	-82.1	-26.6	178.8	172.1	0	0	0	0	112.1	K52 S53 E54	K52-V56 HydrophobicContact CG-CG2 4.49Å; K52-V56 WeakPolarHBondContact O-CB 3.36Å; K52-V56 WeakPolarHBondContact O-CG2 3.28Å; K52-V56 PolarHBondContact O-N 3.39Å; K52-V56 VanDerWaalsContact O-N 3.11Å; S53-V56 PolarHBondContact O-N 3.45Å; E54-V56 PolarHBondContact O-N 2.66Å
57	T	66.5	Low	61.8	Low	63 Å²	63	92.1 Å²	92.1	39%	0.387	52%	0.523	S	S	.	.	H	α-helix	trans	-106.3	-26.1	-169.7	56	0	0	0	0	115.3	S53 E54	S53-T57 WeakPolarHBondContact O-CB 3.38Å; S53-T57 VanDerWaalsContact O-CG2 3.3Å; S53-T57 WeakPolarHBondContact O-CG2 3.45Å; S53-T57 PolarHBondContact O-N 3.24Å; S53-T57 PolarHBondContact O-OG1 3.02Å; E54-T57 PolarHBondContact O-N 3.06Å
58	K	63.8	Low	61.8	Low	65 Å²	65	89.3 Å²	89.3	28%	0.283	51%	0.511	S	S	.	.			trans	-81.3	128	-178.8	-74.7	175.8	173.6	176.2	0	111.1	E54 A69 L72	E54-K58 HydrophobicContact CB-CD 4.19Å; E54-K58 HydrophobicContact CG-CD 4.46Å; E54-K58 WeakPolarHBondContact O-CB 3.38Å; E54-K58 PolarHBondContact O-N 3.3Å; E54-K58 IonicContact OE1-NZ 2.64Å; E54-K58 PolarHBondContact OE1-NZ 3.06Å; K58-A69 WeakPolarHBondContact CE-O 3.41Å; K58-L72 HydrophobicContact CB-CD2 4.32Å; K58-L72 HydrophobicContact CD-CD2 4.18Å; K58-L72 HydrophobicContact CG-CD2 4.32Å
59	N	61.6	Low	62	Low	74 Å²	74	83.5 Å²	83.5	40%	0.396	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-139.7	135.1	175.2	-173.8	-23.3	0	0	0	110.1	L61 V62	N59-L61 PolarHBondContact O-N 3.11Å; N59-L61 VanDerWaalsContact O-N 3.15Å; N59-L61 PolarHBondContact OD1-N 3.34Å; N59-V62 HydrophobicContact CB-CB 4.18Å; N59-V62 PolarHBondContact O-N 3.42Å
60	Y	56.6	Low	61.9	Low	127 Å²	127	79.5 Å²	79.5	50%	0.498	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.8	175.4	-73.9	-77.4	0	0	0	114.6	L72 L392	Y60-L72 HydrophobicContact CD1-CD1 3.24Å; Y60-L72 HydrophobicContact CD2-CD1 4.25Å; Y60-L72 HydrophobicContact CE1-CD1 3.51Å; Y60-L72 HydrophobicContact CE2-CD1 4.45Å; Y60-L72 HydrophobicContact CG-CD1 3.66Å; Y60-L392 HydrophobicContact CD1-CD1 3.65Å; Y60-L392 HydrophobicContact CE1-CD1 4.26Å
61	L	56.5	Low	62.2	Low	142 Å²	142	77.6 Å²	77.6	74%	0.743	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-6.5	-175.5	-58.9	175.8	0	0	0	113.9	N59 D388	N59-L61 PolarHBondContact O-N 3.11Å; N59-L61 VanDerWaalsContact O-N 3.15Å; N59-L61 PolarHBondContact OD1-N 3.34Å; L61-D388 CarbonylContact C-O 3.5Å
62	V	53.8	Low	62.5	Low	100 Å²	100	75.1 Å²	75.1	61%	0.606	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-139.3	106.2	-173.1	-173.9	0	0	0	0	110.2	N59	N59-V62 HydrophobicContact CB-CB 4.18Å; N59-V62 PolarHBondContact O-N 3.42Å
63	G	54	Low	63.1	Low	36 Å²	36	66.8 Å²	66.8	37%	0.371	41%	0.407	S	S	.	.			trans	-175.4	167.5	175.7	0	0	0	0	0	113.9	D388	G63-D388 VanDerWaalsContact CA-OD2 3.24Å; G63-D388 WeakPolarHBondContact CA-OD2 3.36Å
64	S	54	Low	63.8	Low	69 Å²	69	63.1 Å²	63.1	48%	0.483	38%	0.381	S	S	.	.			trans	-123.7	146.5	-171.7	171.8	0	0	0	0	111.5	A66 G67 S71	S64-A66 PolarHBondContact O-N 3.18Å; S64-A66 VanDerWaalsContact O-N 3.11Å; S64-A66 PolarHBondContact OG-N 3.43Å; S64-G67 PolarHBondContact O-N 2.96Å; S64-S71 WeakPolarHBondContact O-CB 3.23Å; S64-S71 PolarHBondContact O-OG 3.13Å
65	I	55.8	Low	64.8	Low	94 Å²	94	63.4 Å²	63.4	48%	0.482	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.9	174.9	-56.4	176	0	0	0	111.4	G67	I65-G67 PolarHBondContact O-N 2.79Å
66	A	53.2	Low	65.8	Low	87 Å²	87	65.7 Å²	65.7	72%	0.719	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-4	-179	0	0	0	0	0	113.9	S64 G68	S64-A66 PolarHBondContact O-N 3.18Å; S64-A66 VanDerWaalsContact O-N 3.11Å; S64-A66 PolarHBondContact OG-N 3.43Å; A66-G68 PolarHBondContact O-N 3.19Å
67	G	50.6	Low	66.7	Low	3 Å²	3	61.1 Å²	61.1	3%	0.031	36%	0.355	C	S	.	.			trans	69.8	35.4	171.2	0	0	0	0	0	112.9	S64 I65 R76	S64-G67 PolarHBondContact O-N 2.96Å; I65-G67 PolarHBondContact O-N 2.79Å; G67-R76 PolarHBondContact O-NH1 3.37Å
68	G	57	Low	67.9	Low	45 Å²	45	58.1 Å²	58.1	46%	0.464	34%	0.336	S	S	.	.			trans	-50.4	159.1	164	0	0	0	0	0	110.2	A66 G70 S71	A66-G68 PolarHBondContact O-N 3.19Å; G68-G70 PolarHBondContact O-N 3.38Å; G68-S71 PolarHBondContact O-N 3.2Å
69	A	59.7	Low	69.2	Low	66 Å²	66	58.6 Å²	58.6	55%	0.545	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-18.3	-170	0	0	0	0	0	115.6	K58	K58-A69 WeakPolarHBondContact CE-O 3.41Å
70	G	63.1	Low	70.6	Confident	12 Å²	12	60.8 Å²	60.8	12%	0.124	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.2	178.1	0	0	0	0	0	117.8	G68 L72	G68-G70 PolarHBondContact O-N 3.38Å; G70-L72 PolarHBondContact O-N 3.46Å
71	S	74	Confident	72.3	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.07	34%	0.34	C	S	.	.			trans	-75.4	127.8	-170.8	-173.1	0	0	0	0	113	S64 G68 G74 D388	S64-S71 WeakPolarHBondContact O-CB 3.23Å; S64-S71 PolarHBondContact O-OG 3.13Å; G68-S71 PolarHBondContact O-N 3.2Å; S71-G74 WeakPolarHBondContact OG-CA 3.48Å; S71-G74 PolarHBondContact OG-N 3.24Å; S71-D388 WeakPolarHBondContact CA-OD2 3.2Å; S71-D388 VanDerWaalsContact CB-OD2 3.25Å; S71-D388 WeakPolarHBondContact CB-OD2 3.33Å; S71-D388 PolarHBondContact OG-OD2 3.23Å
72	L	78.9	Confident	74.1	Confident	24 Å²	24	51.8 Å²	51.8	13%	0.126	31%	0.308	C	S	.	.	S	Bend	trans	-95.2	-22.3	-177.7	-60.3	178.6	0	0	0	112.6	K58 Y60 G70 E77 D388	K58-L72 HydrophobicContact CB-CD2 4.32Å; K58-L72 HydrophobicContact CD-CD2 4.18Å; K58-L72 HydrophobicContact CG-CD2 4.32Å; Y60-L72 HydrophobicContact CD1-CD1 3.24Å; Y60-L72 HydrophobicContact CD2-CD1 4.25Å; Y60-L72 HydrophobicContact CE1-CD1 3.51Å; Y60-L72 HydrophobicContact CE2-CD1 4.45Å; Y60-L72 HydrophobicContact CG-CD1 3.66Å; G70-L72 PolarHBondContact O-N 3.46Å; L72-E77 WeakPolarHBondContact O-CG 3.44Å; L72-D388 WeakPolarHBondContact CA-OD1 3.1Å; L72-D388 WeakPolarHBondContact CB-OD1 3.46Å; L72-D388 PolarHBondContact N-OD1 3.47Å; L72-D388 PolarHBondContact N-OD2 3.25Å
73	L	86.7	Confident	76	Confident	1 Å²	1	52 Å²	52	1%	0.005	31%	0.312	C	S	.	.	S	Bend	trans	-111.1	-3.7	178.7	-54.3	178.2	0	0	0	113.1	Y174 F202 P385 G386 D388 I390 L392	L73-Y174 HydrophobicContact CD2-CD1 4.07Å; L73-F202 HydrophobicContact CB-CD1 4.36Å; L73-F202 HydrophobicContact CD2-CD1 4.21Å; L73-P385 CarbonylContact O-C 3.42Å; L73-P385 WeakPolarHBondContact O-CA 3.25Å; L73-G386 CarbonylContact C-O 3.52Å; L73-G386 PolarHBondContact O-N 2.76Å; L73-D388 PolarHBondContact N-OD1 2.98Å; L73-I390 HydrophobicContact CD1-CD1 3.58Å; L73-I390 HydrophobicContact CD1-CG1 3.67Å; L73-L392 HydrophobicContact CD1-CD2 4.15Å; L73-L392 HydrophobicContact CD2-CD2 4.12Å
74	G	88.4	Confident	77.9	Confident	1 Å²	1	54 Å²	54	1%	0.01	32%	0.32	C	S	.	.	S	Bend	trans	-67.8	173.1	-179	0	0	0	0	0	114.1	S71 R76 E77 L78	S71-G74 WeakPolarHBondContact OG-CA 3.48Å; S71-G74 PolarHBondContact OG-N 3.24Å; G74-R76 VanDerWaalsContact C-N 3.26Å; G74-R76 PolarHBondContact O-N 2.94Å; G74-E77 PolarHBondContact O-N 3.23Å; G74-E77 VanDerWaalsContact O-N 3.16Å; G74-L78 PolarHBondContact O-N 3.08Å
75	I	89.2	Confident	79.8	Confident	67 Å²	67	51.6 Å²	51.6	34%	0.344	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-33	-173.7	-171.2	58.2	0	0	0	114	L78 N79 P385	I75-L78 HydrophobicContact CD1-CD2 4.41Å; I75-N79 WeakPolarHBondContact O-CB 3.15Å; I75-N79 VanDerWaalsContact O-CG 3.24Å; I75-N79 PolarHBondContact O-N 3.28Å; I75-P385 HydrophobicContact CB-CB 4.04Å; I75-P385 HydrophobicContact CB-CG 4.17Å; I75-P385 HydrophobicContact CD1-CB 4.46Å; I75-P385 HydrophobicContact CD1-CG 4.17Å
76	R	88.3	Confident	81.8	Confident	177 Å²	177	50.4 Å²	50.4	67%	0.668	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-44.5	179	-69.9	-178.3	177.8	173.8	-1.9	111.7	G67 G74 K80	G67-R76 PolarHBondContact O-NH1 3.37Å; G74-R76 VanDerWaalsContact C-N 3.26Å; G74-R76 PolarHBondContact O-N 2.94Å; R76-K80 WeakPolarHBondContact O-CB 3.15Å; R76-K80 PolarHBondContact O-N 2.69Å; R76-K80 VanDerWaalsContact O-N 3.12Å
77	E	88.7	Confident	83.9	Confident	21 Å²	21	46.5 Å²	46.5	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-72.8	-40	178.8	-161.6	64.8	-160	0	0	110.6	L72 G74 N79 K80 I81 Y174	L72-E77 WeakPolarHBondContact O-CG 3.44Å; G74-E77 PolarHBondContact O-N 3.23Å; G74-E77 VanDerWaalsContact O-N 3.16Å; E77-N79 PolarHBondContact O-N 3.48Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 PolarHBondContact O-N 3.03Å; E77-K80 VanDerWaalsContact O-N 3.17Å; E77-K80 IonicContact OE1-NZ 2.67Å; E77-K80 PolarHBondContact OE1-NZ 2.93Å; E77-K80 IonicContact OE2-NZ 3.64Å; E77-I81 HydrophobicContact CG-CG1 4.38Å; E77-I81 WeakPolarHBondContact O-CG1 3.35Å; E77-I81 PolarHBondContact O-N 3.16Å; E77-Y174 HydrophobicContact CG-CE1 3.77Å
78	L	92.1	Very high	86.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-51.7	173.6	176.9	59.3	0	0	0	111.6	G74 I75 K80 I81 I82 F202 L383	G74-L78 PolarHBondContact O-N 3.08Å; I75-L78 HydrophobicContact CD1-CD2 4.41Å; L78-K80 PolarHBondContact O-N 3.05Å; L78-I81 PolarHBondContact O-N 3.17Å; L78-I82 HydrophobicContact CD1-CB 4.24Å; L78-I82 HydrophobicContact CD1-CD1 4.08Å; L78-I82 CarbonylContact O-C 3.57Å; L78-I82 WeakPolarHBondContact O-CA 3.48Å; L78-I82 PolarHBondContact O-N 2.83Å; L78-F202 HydrophobicContact CB-CD1 4.12Å; L78-F202 HydrophobicContact CB-CE1 4.11Å; L78-F202 HydrophobicContact CD1-CD1 4.3Å; L78-F202 HydrophobicContact CD1-CD2 3.85Å; L78-F202 HydrophobicContact CD1-CE1 4.36Å; L78-F202 HydrophobicContact CD1-CE2 3.9Å; L78-F202 HydrophobicContact CD1-CG 4.06Å; L78-F202 HydrophobicContact CD1-CZ 4.15Å; L78-L383 HydrophobicContact CD1-CB 4.08Å; L78-L383 HydrophobicContact CD1-CD1 4.09Å; L78-L383 HydrophobicContact CD2-CB 4.24Å
79	N	91.9	Very high	88.1	Confident	75 Å²	75	45.9 Å²	45.9	40%	0.401	25%	0.25	S	S	.	.	H	α-helix	trans	-66	-26.3	-179.9	-71.5	-8.6	0	0	0	113.1	I75 E77 P83 S85	I75-N79 WeakPolarHBondContact O-CB 3.15Å; I75-N79 VanDerWaalsContact O-CG 3.24Å; I75-N79 PolarHBondContact O-N 3.28Å; E77-N79 PolarHBondContact O-N 3.48Å; N79-P83 VanDerWaalsContact O-CA 3.25Å; N79-P83 WeakPolarHBondContact O-CA 3.4Å; N79-S85 PolarHBondContact OD1-OG 2.62Å
80	K	90.6	Very high	89.9	Confident	119 Å²	119	43.1 Å²	43.1	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-72	-43.5	175.4	175.4	-171.7	164.5	-155.8	0	111.5	R76 E77 L78	R76-K80 WeakPolarHBondContact O-CB 3.15Å; R76-K80 PolarHBondContact O-N 2.69Å; R76-K80 VanDerWaalsContact O-N 3.12Å; E77-K80 WeakPolarHBondContact O-CB 3.44Å; E77-K80 PolarHBondContact O-N 3.03Å; E77-K80 VanDerWaalsContact O-N 3.17Å; E77-K80 IonicContact OE1-NZ 2.67Å; E77-K80 PolarHBondContact OE1-NZ 2.93Å; E77-K80 IonicContact OE2-NZ 3.64Å; L78-K80 PolarHBondContact O-N 3.05Å
81	I	91.6	Very high	91.6	Very high	64 Å²	64	42.6 Å²	42.6	33%	0.328	22%	0.22	S	C	.	.	H	α-helix	trans	-83.7	-38.4	-176.7	-56.7	-60.7	0	0	0	111.3	E77 L78 L171 Y174 F202	E77-I81 HydrophobicContact CG-CG1 4.38Å; E77-I81 WeakPolarHBondContact O-CG1 3.35Å; E77-I81 PolarHBondContact O-N 3.16Å; L78-I81 PolarHBondContact O-N 3.17Å; I81-L171 HydrophobicContact CG2-CD2 4.5Å; I81-Y174 HydrophobicContact CD1-CE2 4.45Å; I81-Y174 WeakPolarHBondContact CD1-OH 3.37Å; I81-Y174 HydrophobicContact CG1-CE1 4.44Å; I81-Y174 HydrophobicContact CG1-CE2 4.08Å; I81-Y174 WeakPolarHBondContact CG1-OH 3.33Å; I81-Y174 HydrophobicContact CG2-CE2 4.2Å; I81-F202 HydrophobicContact CB-CZ 4.48Å
82	I	94.1	Very high	92.8	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.082	22%	0.217	C	C	.	.			trans	-133.1	84	-178	-50.3	168.5	0	0	0	108.1	L78 S84 S85 N86 I87 L171 F202 L383	L78-I82 HydrophobicContact CD1-CB 4.24Å; L78-I82 HydrophobicContact CD1-CD1 4.08Å; L78-I82 CarbonylContact O-C 3.57Å; L78-I82 WeakPolarHBondContact O-CA 3.48Å; L78-I82 PolarHBondContact O-N 2.83Å; I82-S84 PolarHBondContact O-N 3.12Å; I82-S84 VanDerWaalsContact O-N 3.16Å; I82-S85 WeakPolarHBondContact O-CA 3.41Å; I82-S85 PolarHBondContact O-N 2.94Å; I82-N86 WeakPolarHBondContact CG2-O 3.39Å; I82-I87 HydrophobicContact CD1-CG2 3.57Å; I82-I87 HydrophobicContact CG1-CG2 4.46Å; I82-I87 HydrophobicContact CG2-CG2 4.26Å; I82-L171 HydrophobicContact CD1-CD2 3.94Å; I82-F202 HydrophobicContact CD1-CE2 4.17Å; I82-L383 HydrophobicContact CD1-CD1 3.5Å
83	P	93.8	Very high	93.7	Very high	106 Å²	106	41 Å²	41	69%	0.688	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.4	-177	-28.1	35.8	0	0	0	115	N79 S85	N79-P83 VanDerWaalsContact O-CA 3.25Å; N79-P83 WeakPolarHBondContact O-CA 3.4Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.91Å
84	S	94	Very high	94.3	Very high	77 Å²	77	41 Å²	41	54%	0.538	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.5	175.2	59.8	0	0	0	0	113.5	I82 N86	I82-S84 PolarHBondContact O-N 3.12Å; I82-S84 VanDerWaalsContact O-N 3.16Å; S84-N86 PolarHBondContact O-N 2.73Å; S84-N86 PolarHBondContact O-OD1 2.95Å; S84-N86 PolarHBondContact OG-N 3.18Å; S84-N86 VanDerWaalsContact OG-N 3.12Å; S84-N86 PolarHBondContact OG-O 3.44Å
85	S	95	Very high	94.8	Very high	19 Å²	19	41 Å²	41	13%	0.133	21%	0.211	C	C	.	.			trans	54.5	7	-161.9	-62.5	0	0	0	0	114.8	N79 I82 P83 L383	N79-S85 PolarHBondContact OD1-OG 2.62Å; I82-S85 WeakPolarHBondContact O-CA 3.41Å; I82-S85 PolarHBondContact O-N 2.94Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 2.91Å; S85-L383 WeakPolarHBondContact O-CB 3.28Å; S85-L383 PolarHBondContact O-N 3.42Å
86	N	96.7	Very high	95.2	Very high	69 Å²	69	37.8 Å²	37.8	37%	0.369	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.8	-177.3	-65.3	-12.8	0	0	0	110.3	I82 S84 L381 V382	I82-N86 WeakPolarHBondContact CG2-O 3.39Å; S84-N86 PolarHBondContact O-N 2.73Å; S84-N86 PolarHBondContact O-OD1 2.95Å; S84-N86 PolarHBondContact OG-N 3.18Å; S84-N86 VanDerWaalsContact OG-N 3.12Å; S84-N86 PolarHBondContact OG-O 3.44Å; N86-L381 WeakPolarHBondContact CA-O 3.49Å; N86-V382 WeakPolarHBondContact OD1-CA 3.41Å; N86-V382 WeakPolarHBondContact OD1-CG2 3.44Å
87	I	97.4	Very high	95.5	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.5	169.7	62.8	162.7	0	0	0	110.3	I82 I89 I123 L201 L381 L383	I82-I87 HydrophobicContact CD1-CG2 3.57Å; I82-I87 HydrophobicContact CG1-CG2 4.46Å; I82-I87 HydrophobicContact CG2-CG2 4.26Å; I87-I89 HydrophobicContact CD1-CD1 4.26Å; I87-I89 HydrophobicContact CD1-CG1 4.16Å; I87-I89 HydrophobicContact CG1-CG1 4.41Å; I87-I123 HydrophobicContact CD1-CD1 3.83Å; I87-I123 HydrophobicContact CD1-CG1 4.18Å; I87-L201 HydrophobicContact CD1-CD2 3.55Å; I87-L381 HydrophobicContact CG1-CB 4.31Å; I87-L381 PolarHBondContact N-O 3.36Å; I87-L381 PolarHBondContact O-N 3.18Å; I87-L383 HydrophobicContact CD1-CD1 4.23Å; I87-L383 HydrophobicContact CD1-CD2 3.98Å; I87-L383 HydrophobicContact CD1-CG 4.36Å; I87-L383 HydrophobicContact CG1-CD1 4.21Å; I87-L383 HydrophobicContact CG1-CD2 4.06Å; I87-L383 HydrophobicContact CG1-CG 4.08Å; I87-L383 HydrophobicContact CG2-CD1 3.8Å; I87-L383 HydrophobicContact CG2-CG 4.37Å
88	D	97.2	Very high	95.7	Very high	35 Å²	35	34.4 Å²	34.4	19%	0.187	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.5	172.2	-71.7	-6.5	0	0	0	111.2	A121 S122 I123 L378 F379 S380	D88-A121 HydrophobicContact CB-CB 4.12Å; D88-S122 WeakPolarHBondContact O-CA 3.33Å; D88-S122 WeakPolarHBondContact O-CB 3.35Å; D88-S122 PolarHBondContact O-N 2.84Å; D88-I123 PolarHBondContact O-N 2.85Å; D88-L378 HydrophobicContact CB-CD1 4.13Å; D88-F379 CarbonylContact C-O 3.52Å; D88-F379 WeakPolarHBondContact CA-O 3.29Å; D88-S380 PolarHBondContact OD1-OG 3.4Å
89	I	98.4	Very high	95.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.7	176.8	-56.8	-173.8	0	0	0	107.7	I87 V91 I123 I206 F208 F260 F379 L381	I87-I89 HydrophobicContact CD1-CD1 4.26Å; I87-I89 HydrophobicContact CD1-CG1 4.16Å; I87-I89 HydrophobicContact CG1-CG1 4.41Å; I89-V91 HydrophobicContact CG2-CG2 4.38Å; I89-I123 CarbonylContact C-O 3.54Å; I89-I123 WeakPolarHBondContact CA-O 3.49Å; I89-I123 HydrophobicContact CB-CB 4.48Å; I89-I123 HydrophobicContact CD1-CD1 4.13Å; I89-I123 HydrophobicContact CG1-CB 4.08Å; I89-I123 HydrophobicContact CG1-CD1 4.32Å; I89-I123 HydrophobicContact CG1-CG1 4.37Å; I89-I123 HydrophobicContact CG2-CB 4.2Å; I89-I123 HydrophobicContact CG2-CG2 4.41Å; I89-I206 HydrophobicContact CD1-CD1 4.24Å; I89-F208 HydrophobicContact CG2-CE1 3.9Å; I89-F208 HydrophobicContact CG2-CZ 3.92Å; I89-F260 HydrophobicContact CB-CZ 4.35Å; I89-F260 HydrophobicContact CD1-CE2 3.99Å; I89-F260 HydrophobicContact CD1-CZ 4.1Å; I89-F260 HydrophobicContact CG2-CE2 4.21Å; I89-F260 HydrophobicContact CG2-CZ 4.15Å; I89-F379 PolarHBondContact N-O 2.8Å; I89-F379 WeakPolarHBondContact O-CD2 3.49Å; I89-F379 PolarHBondContact O-N 3.22Å; I89-L381 HydrophobicContact CD1-CB 4.23Å; I89-L381 HydrophobicContact CD1-CD2 3.59Å
90	Q	98.4	Very high	95.9	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.8	172	-179.4	167.6	-54.9	0	0	110.4	V92 L111 F112 A121 I123 Y124 A125 F376 A377 L378	Q90-V92 HydrophobicContact CG-CG2 4.16Å; Q90-L111 PolarHBondContact NE2-O 3.04Å; Q90-F112 PolarHBondContact NE2-O 3.37Å; Q90-A121 HydrophobicContact CB-CB 4.01Å; Q90-I123 PolarHBondContact N-O 3.16Å; Q90-Y124 HydrophobicContact CB-CD1 3.57Å; Q90-Y124 HydrophobicContact CB-CE1 3.69Å; Q90-Y124 HydrophobicContact CB-CG 4.49Å; Q90-Y124 HydrophobicContact CG-CD1 4.01Å; Q90-Y124 HydrophobicContact CG-CE1 4.09Å; Q90-Y124 CarbonylContact O-C 3.59Å; Q90-Y124 VanDerWaalsContact O-CA 3.26Å; Q90-Y124 WeakPolarHBondContact O-CA 3.35Å; Q90-A125 PolarHBondContact O-N 2.93Å; Q90-F376 HydrophobicContact CG-CB 4.39Å; Q90-F376 HydrophobicContact CG-CD2 4.33Å; Q90-A377 WeakPolarHBondContact CA-O 3.49Å; Q90-L378 HydrophobicContact CB-CD1 4.08Å
91	V	98.8	Very high	96	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.6	173.4	-174.9	0	0	0	0	107.8	I89 A125 F208 F260 A262 I346 F376 A377 F379	I89-V91 HydrophobicContact CG2-CG2 4.38Å; V91-A125 WeakPolarHBondContact CA-O 3.35Å; V91-A125 HydrophobicContact CG1-CB 4.4Å; V91-A125 HydrophobicContact CG2-CB 4.31Å; V91-F208 HydrophobicContact CG2-CD1 4.32Å; V91-F208 HydrophobicContact CG2-CE1 4.03Å; V91-F260 HydrophobicContact CG2-CB 4.04Å; V91-F260 HydrophobicContact CG2-CD1 3.79Å; V91-F260 HydrophobicContact CG2-CE1 4.41Å; V91-F260 HydrophobicContact CG2-CG 3.91Å; V91-A262 HydrophobicContact CG1-CB 3.7Å; V91-I346 HydrophobicContact CB-CD1 4.35Å; V91-I346 HydrophobicContact CB-CG2 3.97Å; V91-I346 HydrophobicContact CG1-CD1 4.32Å; V91-I346 HydrophobicContact CG1-CG2 3.95Å; V91-I346 VanDerWaalsContact O-CD1 3.27Å; V91-I346 WeakPolarHBondContact O-CD1 3.29Å; V91-F376 CarbonylContact O-C 3.6Å; V91-F376 WeakPolarHBondContact O-CA 3.35Å; V91-A377 PolarHBondContact N-O 3.27Å; V91-A377 PolarHBondContact O-N 2.79Å; V91-F379 HydrophobicContact CB-CE2 4.26Å; V91-F379 HydrophobicContact CG2-CD2 4.29Å; V91-F379 HydrophobicContact CG2-CE2 3.93Å
92	V	98.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.4	179	-174.2	0	0	0	0	108	Q90 L111 A125 I126 C127 V375 F376	Q90-V92 HydrophobicContact CG-CG2 4.16Å; V92-L111 HydrophobicContact CG1-CD2 4.03Å; V92-L111 WeakPolarHBondContact CG2-O 3.48Å; V92-A125 PolarHBondContact N-O 3.47Å; V92-I126 HydrophobicContact CB-CD1 3.8Å; V92-I126 HydrophobicContact CG2-CD1 3.67Å; V92-C127 WeakPolarHBondContact O-CA 3.44Å; V92-C127 VanDerWaalsContact O-CB 3.22Å; V92-C127 WeakPolarHBondContact O-CB 3.37Å; V92-C127 PolarHBondContact O-N 3.42Å; V92-V375 CarbonylContact C-O 3.56Å; V92-V375 VanDerWaalsContact CA-O 3.3Å; V92-V375 WeakPolarHBondContact CA-O 3.41Å; V92-F376 HydrophobicContact CG2-CB 4.02Å
93	T	98.8	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.4	169.5	-173.4	0	0	0	0	111.6	C127 Q129 G263 D344 I346 P374 V375	T93-C127 CarbonylContact C-O 3.54Å; T93-C127 VanDerWaalsContact CA-O 3.25Å; T93-C127 WeakPolarHBondContact CA-O 3.45Å; T93-Q129 PolarHBondContact OG1-NE2 3.23Å; T93-Q129 PolarHBondContact OG1-OE1 3.16Å; T93-G263 WeakPolarHBondContact OG1-CA 3.5Å; T93-G263 PolarHBondContact OG1-N 3.13Å; T93-D344 HydrophobicContact CG2-CB 3.98Å; T93-I346 HydrophobicContact CG2-CD1 4.35Å; T93-I346 HydrophobicContact CG2-CG1 3.95Å; T93-P374 VanDerWaalsContact O-CA 3.31Å; T93-P374 WeakPolarHBondContact O-CA 3.37Å; T93-V375 HydrophobicContact CG2-CB 4.03Å; T93-V375 PolarHBondContact N-O 2.84Å; T93-V375 PolarHBondContact O-N 3.02Å
94	W	98.6	Very high	96	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	117.2	179	-174	30.8	0	0	0	112.1	M96 M99 P105 L108 L111 C127 I128 Q129 I367 S369 H372 P374	W94-M96 HydrophobicContact CD2-CG 3.56Å; W94-M96 HydrophobicContact CD2-SD 4.46Å; W94-M96 HydrophobicContact CE3-CE 4.26Å; W94-M96 HydrophobicContact CE3-CG 3.44Å; W94-M96 VanDerWaalsContact CE3-CG 3.44Å; W94-M96 HydrophobicContact CE3-SD 3.74Å; W94-M96 HydrophobicContact CG-CG 4.18Å; W94-M96 HydrophobicContact CH2-CE 3.85Å; W94-M96 HydrophobicContact CH2-CG 4.03Å; W94-M96 HydrophobicContact CH2-SD 4.38Å; W94-M96 HydrophobicContact CZ2-CG 4.13Å; W94-M96 HydrophobicContact CZ3-CE 3.59Å; W94-M96 HydrophobicContact CZ3-CG 3.69Å; W94-M96 HydrophobicContact CZ3-SD 3.7Å; W94-M99 HydrophobicContact CH2-CE 3.9Å; W94-M99 HydrophobicContact CH2-SD 4.36Å; W94-M99 HydrophobicContact CZ2-CE 3.62Å; W94-P105 HydrophobicContact CH2-CG 4.23Å; W94-L108 HydrophobicContact CZ3-CD2 4.27Å; W94-L111 HydrophobicContact CE3-CD1 4.32Å; W94-C127 PolarHBondContact N-O 3.5Å; W94-I128 HydrophobicContact CB-CD1 3.98Å; W94-I128 HydrophobicContact CE3-CD1 4.18Å; W94-I128 WeakPolarHBondContact O-CA 3.36Å; W94-Q129 VanDerWaalsContact C-OE1 3.31Å; W94-Q129 PolarHBondContact O-N 3.39Å; W94-Q129 VanDerWaalsContact O-N 3.11Å; W94-Q129 PolarHBondContact O-OE1 2.87Å; W94-I367 HydrophobicContact CH2-CG2 3.85Å; W94-I367 HydrophobicContact CZ2-CG2 3.53Å; W94-S369 WeakPolarHBondContact CZ2-OG 3.39Å; W94-H372 PolarHBondContact NE1-O 2.88Å; W94-P374 HydrophobicContact CB-CB 4.03Å; W94-P374 HydrophobicContact CB-CG 4.26Å; W94-P374 HydrophobicContact CD2-CG 3.98Å; W94-P374 HydrophobicContact CG-CB 4.03Å; W94-P374 HydrophobicContact CG-CG 3.72Å
95	N	98.3	Very high	95.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.7	163.9	-173.5	-26	0	0	0	110	L97 Q129 E130 D264 S370 H372	N95-L97 PolarHBondContact OD1-N 3.43Å; N95-L97 VanDerWaalsContact OD1-N 3.08Å; N95-Q129 WeakPolarHBondContact CA-O 3.36Å; N95-Q129 HydrophobicContact CB-CB 4.1Å; N95-E130 WeakPolarHBondContact OD1-CB 3.46Å; N95-E130 WeakPolarHBondContact OD1-CG 3.44Å; N95-D264 HydrophobicContact CB-CB 4.33Å; N95-D264 PolarHBondContact ND2-OD2 2.98Å; N95-S370 WeakPolarHBondContact O-CB 3.37Å; N95-S370 PolarHBondContact O-OG 2.79Å; N95-H372 HydrophobicContact CB-CB 4.1Å
96	M	97.3	Very high	95.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.204	C	C	.	.			trans	-96	7.3	-172.8	-73.2	-174.7	71.1	0	0	114.6	W94 S98 M99 Y104 I128 Q129 L138	W94-M96 HydrophobicContact CD2-CG 3.56Å; W94-M96 HydrophobicContact CD2-SD 4.46Å; W94-M96 HydrophobicContact CE3-CE 4.26Å; W94-M96 HydrophobicContact CE3-CG 3.44Å; W94-M96 VanDerWaalsContact CE3-CG 3.44Å; W94-M96 HydrophobicContact CE3-SD 3.74Å; W94-M96 HydrophobicContact CG-CG 4.18Å; W94-M96 HydrophobicContact CH2-CE 3.85Å; W94-M96 HydrophobicContact CH2-CG 4.03Å; W94-M96 HydrophobicContact CH2-SD 4.38Å; W94-M96 HydrophobicContact CZ2-CG 4.13Å; W94-M96 HydrophobicContact CZ3-CE 3.59Å; W94-M96 HydrophobicContact CZ3-CG 3.69Å; W94-M96 HydrophobicContact CZ3-SD 3.7Å; M96-S98 PolarHBondContact O-N 2.85Å; M96-S98 VanDerWaalsContact O-N 3.09Å; M96-M99 HydrophobicContact CB-CE 4.06Å; M96-M99 HydrophobicContact CB-CG 4.5Å; M96-M99 HydrophobicContact CE-CE 4.29Å; M96-M99 HydrophobicContact CE-CG 4.02Å; M96-M99 HydrophobicContact CE-SD 3.95Å; M96-M99 HydrophobicContact CG-CE 4.43Å; M96-M99 WeakPolarHBondContact O-CB 3.44Å; M96-M99 WeakPolarHBondContact O-CE 3.5Å; M96-M99 WeakPolarHBondContact O-CG 3.27Å; M96-M99 PolarHBondContact O-N 3.39Å; M96-Y104 HydrophobicContact CE-CD1 3.39Å; M96-Y104 HydrophobicContact CE-CE1 3.23Å; M96-Y104 HydrophobicContact CE-CG 4.22Å; M96-I128 HydrophobicContact CB-CG2 4.29Å; M96-I128 HydrophobicContact CG-CD1 4.45Å; M96-I128 HydrophobicContact CG-CG2 3.78Å; M96-I128 HydrophobicContact SD-CD1 4.04Å; M96-I128 HydrophobicContact SD-CG1 4.35Å; M96-I128 HydrophobicContact SD-CG2 3.5Å; M96-I128 VanDerWaalsContact SD-CG2 3.5Å; M96-Q129 PolarHBondContact N-O 3.39Å; M96-L138 HydrophobicContact CE-CD1 4.32Å; M96-L138 HydrophobicContact SD-CD1 4.42Å; M96-L138 HydrophobicContact SD-CD2 3.95Å
97	L	95.5	Very high	95.3	Very high	65 Å²	65	40.1 Å²	40.1	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	27.5	177.7	-169.4	61.1	0	0	0	113.9	N95 M99 E130 L326 D371	N95-L97 PolarHBondContact OD1-N 3.43Å; N95-L97 VanDerWaalsContact OD1-N 3.08Å; L97-M99 PolarHBondContact O-N 3.44Å; L97-E130 WeakPolarHBondContact CA-OE2 3.44Å; L97-L326 HydrophobicContact CD2-CD2 3.76Å; L97-D371 HydrophobicContact CD2-CB 4.37Å
98	S	93.1	Very high	95.2	Very high	61 Å²	61	40 Å²	40	43%	0.427	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	26.7	-175	-53.6	0	0	0	0	113.4	M96 K100 E130	M96-S98 PolarHBondContact O-N 2.85Å; M96-S98 VanDerWaalsContact O-N 3.09Å; S98-K100 PolarHBondContact O-N 3.05Å; S98-E130 WeakPolarHBondContact CA-O 3.5Å; S98-E130 PolarHBondContact N-O 3.08Å
99	M	94.3	Very high	95.1	Very high	20 Å²	20	39.3 Å²	39.3	10%	0.099	20%	0.197	C	C	.	.			trans	-59.2	136.5	-178.1	76.4	178.1	74	0	0	110.3	W94 M96 L97 Y104 S132	W94-M99 HydrophobicContact CH2-CE 3.9Å; W94-M99 HydrophobicContact CH2-SD 4.36Å; W94-M99 HydrophobicContact CZ2-CE 3.62Å; M96-M99 HydrophobicContact CB-CE 4.06Å; M96-M99 HydrophobicContact CB-CG 4.5Å; M96-M99 HydrophobicContact CE-CE 4.29Å; M96-M99 HydrophobicContact CE-CG 4.02Å; M96-M99 HydrophobicContact CE-SD 3.95Å; M96-M99 HydrophobicContact CG-CE 4.43Å; M96-M99 WeakPolarHBondContact O-CB 3.44Å; M96-M99 WeakPolarHBondContact O-CE 3.5Å; M96-M99 WeakPolarHBondContact O-CG 3.27Å; M96-M99 PolarHBondContact O-N 3.39Å; L97-M99 PolarHBondContact O-N 3.44Å; M99-Y104 HydrophobicContact CG-CD1 3.59Å; M99-Y104 HydrophobicContact CG-CE1 3.59Å; M99-Y104 VanDerWaalsContact O-CE1 3.29Å; M99-Y104 WeakPolarHBondContact O-CE1 3.38Å; M99-Y104 HydrophobicContact SD-CD1 3.76Å; M99-Y104 HydrophobicContact SD-CE1 4.32Å; M99-S132 VanDerWaalsContact O-CB 3.27Å; M99-S132 WeakPolarHBondContact O-CB 3.46Å
100	K	94.1	Very high	95	Very high	139 Å²	139	41.9 Å²	41.9	60%	0.604	21%	0.211	S	C	*	.			trans	-66.2	149.3	177.5	-64.6	-178	177.9	-179	0	110.4	S98 Q102 F103	S98-K100 PolarHBondContact O-N 3.05Å; K100-Q102 HydrophobicContact CB-CG 4.11Å; K100-Q102 PolarHBondContact O-N 3.15Å; K100-Q102 VanDerWaalsContact O-N 3.12Å; K100-F103 HydrophobicContact CB-CD2 4.03Å; K100-F103 HydrophobicContact CB-CE2 4.41Å; K100-F103 PolarHBondContact O-N 2.86Å
101	S	92.8	Very high	94.9	Very high	23 Å²	23	41.6 Å²	41.6	16%	0.161	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56.8	-32	-175.4	54.1	0	0	0	0	114.8	F103 Y104 D134	S101-F103 PolarHBondContact O-N 2.94Å; S101-F103 VanDerWaalsContact O-N 3.11Å; S101-Y104 VanDerWaalsContact CA-CE2 3.49Å; S101-Y104 WeakPolarHBondContact O-CB 3.29Å; S101-Y104 PolarHBondContact O-N 2.88Å; S101-D134 WeakPolarHBondContact CB-OD2 3.43Å; S101-D134 PolarHBondContact OG-OD2 3.04Å
102	Q	92.6	Very high	94.7	Very high	131 Å²	131	41.6 Å²	41.6	61%	0.612	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-59.6	-18.3	173.1	70.5	-165.7	38	0	0	114.6	K100	K100-Q102 HydrophobicContact CB-CG 4.11Å; K100-Q102 PolarHBondContact O-N 3.15Å; K100-Q102 VanDerWaalsContact O-N 3.12Å
103	F	92.9	Very high	94.4	Very high	131 Å²	131	46.2 Å²	46.2	58%	0.575	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-107.7	2.8	178.5	-57.8	-63.2	0	0	0	113.1	K100 S101	K100-F103 HydrophobicContact CB-CD2 4.03Å; K100-F103 HydrophobicContact CB-CE2 4.41Å; K100-F103 PolarHBondContact O-N 2.86Å; S101-F103 PolarHBondContact O-N 2.94Å; S101-F103 VanDerWaalsContact O-N 3.11Å
104	Y	93.6	Very high	93.7	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.027	24%	0.244	C	C	.	.	S	Bend	trans	-58.3	143.7	170.1	-65.4	-15.8	0	0	0	109.2	M96 M99 S101 E106 S132 D134 E137 L138 R141	M96-Y104 HydrophobicContact CE-CD1 3.39Å; M96-Y104 HydrophobicContact CE-CE1 3.23Å; M96-Y104 HydrophobicContact CE-CG 4.22Å; M99-Y104 HydrophobicContact CG-CD1 3.59Å; M99-Y104 HydrophobicContact CG-CE1 3.59Å; M99-Y104 VanDerWaalsContact O-CE1 3.29Å; M99-Y104 WeakPolarHBondContact O-CE1 3.38Å; M99-Y104 HydrophobicContact SD-CD1 3.76Å; M99-Y104 HydrophobicContact SD-CE1 4.32Å; S101-Y104 VanDerWaalsContact CA-CE2 3.49Å; S101-Y104 WeakPolarHBondContact O-CB 3.29Å; S101-Y104 PolarHBondContact O-N 2.88Å; Y104-E106 PolarHBondContact O-N 3.3Å; Y104-S132 PolarHBondContact OH-OG 2.93Å; Y104-D134 PolarHBondContact OH-O 2.87Å; Y104-E137 HydrophobicContact CD2-CG 4.43Å; Y104-L138 HydrophobicContact CD2-CB 4.26Å; Y104-L138 HydrophobicContact CD2-CD1 4.41Å; Y104-L138 HydrophobicContact CE2-CB 3.64Å; Y104-L138 HydrophobicContact CE2-CD1 4.39Å; Y104-L138 HydrophobicContact CE2-CG 4.5Å; Y104-R141 PolarHBondContact O-NH1 2.98Å
105	P	92.4	Very high	92.5	Very high	30 Å²	30	49 Å²	49	20%	0.195	25%	0.253	C	S	.	.			trans	-52.5	136.1	167.3	-24.9	33.3	0	0	0	110.3	W94 D107 L108 R141 I367	W94-P105 HydrophobicContact CH2-CG 4.23Å; P105-D107 WeakPolarHBondContact CB-O 3.36Å; P105-D107 PolarHBondContact O-N 2.9Å; P105-L108 HydrophobicContact CB-CD2 3.85Å; P105-L108 HydrophobicContact CG-CD2 3.94Å; P105-R141 VanDerWaalsContact C-NH1 3.34Å; P105-R141 PolarHBondContact O-NH1 3.44Å; P105-I367 HydrophobicContact CG-CG2 4.28Å
106	E	88.6	Confident	91.3	Very high	132 Å²	132	54.3 Å²	54.3	62%	0.617	29%	0.29	S	S	*	.	S	Bend	trans	-66.6	-28.4	176.5	-74.1	-61.8	127.6	0	0	111.9	Y104 R141	Y104-E106 PolarHBondContact O-N 3.3Å; E106-R141 IonicContact OE1-CZ 2.72Å; E106-R141 VanDerWaalsContact OE1-CZ 3.27Å; E106-R141 IonicContact OE1-NH1 3.21Å; E106-R141 PolarHBondContact OE1-NH1 2.96Å; E106-R141 IonicContact OE1-NH2 3.39Å; E106-R141 PolarHBondContact OE1-NH2 2.9Å
107	D	90.2	Very high	90.4	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.283	31%	0.306	S	S	.	.			trans	-118.2	124.7	173.6	-172.6	19	0	0	0	110.7	P105 S109 R412	P105-D107 WeakPolarHBondContact CB-O 3.36Å; P105-D107 PolarHBondContact O-N 2.9Å; D107-S109 WeakPolarHBondContact OD1-CB 3.27Å; D107-S109 PolarHBondContact OD1-N 3Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; D107-S109 PolarHBondContact OD2-OG 3.17Å; D107-R412 IonicContact OD1-CZ 3.68Å; D107-R412 IonicContact OD1-NH1 3.84Å; D107-R412 PolarHBondContact OD1-NH1 3.36Å; D107-R412 IonicContact OD1-NH2 3.44Å; D107-R412 IonicContact OD2-CZ 3.44Å; D107-R412 IonicContact OD2-NH1 3.47Å; D107-R412 PolarHBondContact OD2-NH1 3.04Å; D107-R412 IonicContact OD2-NH2 2.73Å; D107-R412 PolarHBondContact OD2-NH2 2.92Å
108	L	95.5	Very high	89.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	34%	0.336	C	S	.	.			trans	-111.7	14.9	175.1	-64.8	174.1	0	0	0	111.8	W94 P105 D110 L111 L138 R141 L142 A145	W94-L108 HydrophobicContact CZ3-CD2 4.27Å; P105-L108 HydrophobicContact CB-CD2 3.85Å; P105-L108 HydrophobicContact CG-CD2 3.94Å; L108-D110 PolarHBondContact O-N 2.86Å; L108-L111 HydrophobicContact CB-CD1 4.19Å; L108-L111 HydrophobicContact CD2-CD1 4.05Å; L108-L111 WeakPolarHBondContact O-CB 3.3Å; L108-L111 PolarHBondContact O-N 3.03Å; L108-L138 HydrophobicContact CD1-CD1 3.81Å; L108-R141 HydrophobicContact CD1-CB 3.86Å; L108-L142 HydrophobicContact CB-CD2 4.15Å; L108-L142 HydrophobicContact CD1-CD2 3.73Å; L108-L142 HydrophobicContact CD1-CG 3.97Å; L108-A145 HydrophobicContact CB-CB 4.13Å
109	S	94.7	Very high	89.5	Confident	21 Å²	21	67.6 Å²	67.6	15%	0.147	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.2	-178.1	-63.5	0	0	0	0	112.4	D107 L111 F112 F113	D107-S109 WeakPolarHBondContact OD1-CB 3.27Å; D107-S109 PolarHBondContact OD1-N 3Å; D107-S109 PolarHBondContact OD1-OG 3.26Å; D107-S109 PolarHBondContact OD2-OG 3.17Å; S109-L111 PolarHBondContact O-N 3.2Å; S109-F112 WeakPolarHBondContact O-CA 3.45Å; S109-F112 PolarHBondContact O-N 3.09Å; S109-F113 VanDerWaalsContact O-CD2 3.26Å; S109-F113 WeakPolarHBondContact O-CD2 3.45Å; S109-F113 PolarHBondContact O-N 3.09Å
110	D	94.8	Very high	89.5	Confident	55 Å²	55	69 Å²	69	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-61.8	-28.5	178.6	-68.2	-1.7	0	0	0	112.5	L108 F112 F113 S114 I364 T366 I367	L108-D110 PolarHBondContact O-N 2.86Å; D110-F112 PolarHBondContact O-N 3.04Å; D110-F113 PolarHBondContact O-N 3.45Å; D110-S114 VanDerWaalsContact O-CB 3.24Å; D110-S114 WeakPolarHBondContact O-CB 3.46Å; D110-S114 PolarHBondContact O-N 2.66Å; D110-S114 PolarHBondContact O-OG 2.78Å; D110-I364 HydrophobicContact CB-CG2 4.02Å; D110-I364 WeakPolarHBondContact O-CD1 3.24Å; D110-T366 WeakPolarHBondContact OD2-CB 3.26Å; D110-T366 PolarHBondContact OD2-OG1 2.99Å; D110-I367 HydrophobicContact CB-CD1 4.26Å
111	L	96.7	Very high	89.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-24.3	172.9	-61.3	-177.4	0	0	0	112.3	Q90 V92 W94 L108 S109 L142 I364 I367 P374	Q90-L111 PolarHBondContact NE2-O 3.04Å; V92-L111 HydrophobicContact CG1-CD2 4.03Å; V92-L111 WeakPolarHBondContact CG2-O 3.48Å; W94-L111 HydrophobicContact CE3-CD1 4.32Å; L108-L111 HydrophobicContact CB-CD1 4.19Å; L108-L111 HydrophobicContact CD2-CD1 4.05Å; L108-L111 WeakPolarHBondContact O-CB 3.3Å; L108-L111 PolarHBondContact O-N 3.03Å; S109-L111 PolarHBondContact O-N 3.2Å; L111-L142 HydrophobicContact CD1-CD2 3.84Å; L111-I364 HydrophobicContact CD2-CD1 3.95Å; L111-I367 HydrophobicContact CD2-CD1 3.46Å; L111-I367 VanDerWaalsContact CD2-CD1 3.46Å; L111-I367 HydrophobicContact CG-CD1 3.74Å; L111-P374 HydrophobicContact CD2-CB 3.82Å; L111-P374 HydrophobicContact CD2-CG 3.87Å
112	F	96	Very high	89.8	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	34%	0.336	C	S	.	.	H	α-helix	trans	-102.7	-31.4	-179.8	-58.1	-79.2	0	0	0	112.9	Q90 S109 D110 Y124 I126 L142 A145 I146 F166	Q90-F112 PolarHBondContact NE2-O 3.37Å; S109-F112 WeakPolarHBondContact O-CA 3.45Å; S109-F112 PolarHBondContact O-N 3.09Å; D110-F112 PolarHBondContact O-N 3.04Å; F112-Y124 HydrophobicContact CB-CD1 4.43Å; F112-Y124 HydrophobicContact CB-CE1 3.99Å; F112-Y124 AromaticContact CD1-CD1 3.56Å; F112-Y124 HydrophobicContact CD1-CD1 3.56Å; F112-Y124 HydrophobicContact CD1-CD2 4.16Å; F112-Y124 AromaticContact CD1-CE1 3.94Å; F112-Y124 HydrophobicContact CD1-CE1 3.94Å; F112-Y124 HydrophobicContact CD1-CE2 4.46Å; F112-Y124 AromaticContact CD1-CG 3.68Å; F112-Y124 HydrophobicContact CD1-CG 3.68Å; F112-Y124 HydrophobicContact CE1-CD1 4.34Å; F112-Y124 HydrophobicContact CE1-CG 4.14Å; F112-Y124 HydrophobicContact CG-CD1 4.47Å; F112-Y124 HydrophobicContact CG-CE1 4.48Å; F112-Y124 VanDerWaalsContact O-CE1 3.31Å; F112-Y124 WeakPolarHBondContact O-CE1 3.5Å; F112-Y124 PolarHBondContact O-OH 3.29Å; F112-I126 HydrophobicContact CD1-CD1 4.46Å; F112-I126 HydrophobicContact CE1-CD1 3.86Å; F112-I126 HydrophobicContact CE1-CG1 4.14Å; F112-I126 HydrophobicContact CZ-CD1 4.26Å; F112-I126 HydrophobicContact CZ-CG1 4.29Å; F112-L142 HydrophobicContact CE2-CB 4.45Å; F112-L142 HydrophobicContact CE2-CD2 3.85Å; F112-L142 HydrophobicContact CZ-CB 4.18Å; F112-L142 HydrophobicContact CZ-CD2 3.84Å; F112-A145 HydrophobicContact CD2-CB 4.13Å; F112-A145 HydrophobicContact CE2-CB 3.97Å; F112-I146 HydrophobicContact CD1-CB 3.99Å; F112-I146 HydrophobicContact CD1-CD1 3.62Å; F112-I146 HydrophobicContact CD1-CG1 3.77Å; F112-I146 HydrophobicContact CD2-CB 4.12Å; F112-I146 HydrophobicContact CE1-CB 3.93Å; F112-I146 HydrophobicContact CE1-CD1 3.6Å; F112-I146 HydrophobicContact CE1-CG1 4.01Å; F112-I146 HydrophobicContact CE2-CB 4.03Å; F112-I146 HydrophobicContact CG-CB 4.09Å; F112-I146 HydrophobicContact CG-CD1 4.45Å; F112-I146 HydrophobicContact CG-CG1 4.11Å; F112-I146 HydrophobicContact CZ-CB 3.93Å; F112-I146 HydrophobicContact CZ-CD1 4.39Å; F112-F166 HydrophobicContact CE1-CD2 4.1Å; F112-F166 HydrophobicContact CE1-CE2 4.47Å; F112-F166 HydrophobicContact CE1-CG 4.49Å; F112-F166 HydrophobicContact CZ-CD2 4.29Å; F112-F166 HydrophobicContact CZ-CE2 4.2Å
113	F	91.9	Very high	90.1	Very high	96 Å²	96	56.2 Å²	56.2	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-127	26.9	-165.5	-48.1	-59.7	0	0	0	114.1	S109 D110 A120	S109-F113 VanDerWaalsContact O-CD2 3.26Å; S109-F113 WeakPolarHBondContact O-CD2 3.45Å; S109-F113 PolarHBondContact O-N 3.09Å; D110-F113 PolarHBondContact O-N 3.45Å; F113-A120 HydrophobicContact CE1-CB 4.14Å
114	S	83.1	Confident	90.4	Very high	41 Å²	41	50.1 Å²	50.1	29%	0.287	28%	0.28	S	S	.	.			trans	-81.9	-8.3	174.3	-69.9	0	0	0	0	114.9	D110 I364	D110-S114 VanDerWaalsContact O-CB 3.24Å; D110-S114 WeakPolarHBondContact O-CB 3.46Å; D110-S114 PolarHBondContact O-N 2.66Å; D110-S114 PolarHBondContact O-OG 2.78Å; S114-I364 WeakPolarHBondContact OG-CG2 3.4Å
115	G	74.6	Confident	90.6	Very high	20 Å²	20	49.8 Å²	49.8	21%	0.206	28%	0.279	C	S	.	.	S	Bend	trans	-74.4	169.8	179.4	0	0	0	0	0	113	S117	G115-S117 PolarHBondContact O-N 2.87Å
116	S	72.3	Confident	90.9	Very high	111 Å²	111	48.3 Å²	48.3	78%	0.776	27%	0.269	S	S	*	.	S	Bend	trans	-72.5	-14.7	173.4	56.5	0	0	0	0	113.9
117	S	78.7	Confident	91.4	Very high	50 Å²	50	42.1 Å²	42.1	35%	0.35	24%	0.24	S	C	.	.			trans	-76	131.2	-179.6	-174.4	0	0	0	0	111.6	G115 E119	G115-S117 PolarHBondContact O-N 2.87Å; S117-E119 PolarHBondContact OG-N 3.07Å; S117-E119 PolarHBondContact OG-O 3.37Å; S117-E119 VanDerWaalsContact OG-O 3.09Å
118	E	81.8	Confident	91.8	Very high	205 Å²	205	39.7 Å²	39.7	96%	0.958	23%	0.227	S	C	*	.	S	Bend	trans	-76.3	-15.8	167.1	-62.3	-168.7	166.9	0	0	112.1
119	E	87.8	Confident	91.9	Very high	151 Å²	151	39.6 Å²	39.6	71%	0.706	23%	0.227	S	C	*	.	S	Bend	trans	-91.7	134.3	-179.7	-61.5	-172.1	171.7	0	0	111.3	S117	S117-E119 PolarHBondContact OG-N 3.07Å; S117-E119 PolarHBondContact OG-O 3.37Å; S117-E119 VanDerWaalsContact OG-O 3.09Å
120	A	93.8	Very high	92	Very high	49 Å²	49	40.9 Å²	40.9	41%	0.405	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-72.2	135.4	174.9	0	0	0	0	0	110.9	F113 Y124	F113-A120 HydrophobicContact CE1-CB 4.14Å; A120-Y124 WeakPolarHBondContact CA-OH 3.41Å
121	A	96.7	Very high	92	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-59.2	150.4	172.2	0	0	0	0	0	110.7	D88 Q90 I123 Y124 H150 L378	D88-A121 HydrophobicContact CB-CB 4.12Å; Q90-A121 HydrophobicContact CB-CB 4.01Å; A121-I123 VanDerWaalsContact C-N 3.33Å; A121-Y124 HydrophobicContact CB-CD2 4.34Å; A121-Y124 HydrophobicContact CB-CE1 4.01Å; A121-Y124 HydrophobicContact CB-CE2 3.83Å; A121-Y124 PolarHBondContact N-OH 2.76Å; A121-Y124 WeakPolarHBondContact O-CE2 3.34Å; A121-H150 PolarHBondContact O-NE2 3.04Å; A121-L378 HydrophobicContact CB-CD1 4.1Å
122	S	97.7	Very high	91.8	Very high	25 Å²	25	39.2 Å²	39.2	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	-71.3	-31.1	176.8	-69.9	0	0	0	0	112.5	D88 N168	D88-S122 WeakPolarHBondContact O-CA 3.33Å; D88-S122 WeakPolarHBondContact O-CB 3.35Å; D88-S122 PolarHBondContact O-N 2.84Å; S122-N168 WeakPolarHBondContact O-CB 3.31Å; S122-N168 PolarHBondContact O-N 2.92Å
123	I	98.6	Very high	91.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.1	178.7	-51.9	-176	0	0	0	109.1	I87 D88 I89 Q90 A121 I165 F166 L167 F199 L201 I206 F208	I87-I123 HydrophobicContact CD1-CD1 3.83Å; I87-I123 HydrophobicContact CD1-CG1 4.18Å; D88-I123 PolarHBondContact O-N 2.85Å; I89-I123 CarbonylContact C-O 3.54Å; I89-I123 WeakPolarHBondContact CA-O 3.49Å; I89-I123 HydrophobicContact CB-CB 4.48Å; I89-I123 HydrophobicContact CD1-CD1 4.13Å; I89-I123 HydrophobicContact CG1-CB 4.08Å; I89-I123 HydrophobicContact CG1-CD1 4.32Å; I89-I123 HydrophobicContact CG1-CG1 4.37Å; I89-I123 HydrophobicContact CG2-CB 4.2Å; I89-I123 HydrophobicContact CG2-CG2 4.41Å; Q90-I123 PolarHBondContact N-O 3.16Å; A121-I123 VanDerWaalsContact C-N 3.33Å; I123-I165 HydrophobicContact CG2-CG2 3.99Å; I123-F166 CarbonylContact C-O 3.41Å; I123-F166 WeakPolarHBondContact CA-O 3.36Å; I123-L167 HydrophobicContact CD1-CD1 3.97Å; I123-L167 HydrophobicContact CG1-CD1 3.65Å; I123-F199 HydrophobicContact CD1-CE2 4.31Å; I123-F199 HydrophobicContact CD1-CZ 4.32Å; I123-L201 HydrophobicContact CD1-CD2 4.06Å; I123-I206 HydrophobicContact CD1-CD1 4.41Å; I123-F208 HydrophobicContact CG2-CZ 4.24Å
124	Y	98.8	Very high	91.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.1	168.4	-65.8	-96.2	0	0	0	110.3	Q90 F112 A120 A121 I146 H150 I165 F166	Q90-Y124 HydrophobicContact CB-CD1 3.57Å; Q90-Y124 HydrophobicContact CB-CE1 3.69Å; Q90-Y124 HydrophobicContact CB-CG 4.49Å; Q90-Y124 HydrophobicContact CG-CD1 4.01Å; Q90-Y124 HydrophobicContact CG-CE1 4.09Å; Q90-Y124 CarbonylContact O-C 3.59Å; Q90-Y124 VanDerWaalsContact O-CA 3.26Å; Q90-Y124 WeakPolarHBondContact O-CA 3.35Å; F112-Y124 HydrophobicContact CB-CD1 4.43Å; F112-Y124 HydrophobicContact CB-CE1 3.99Å; F112-Y124 AromaticContact CD1-CD1 3.56Å; F112-Y124 HydrophobicContact CD1-CD1 3.56Å; F112-Y124 HydrophobicContact CD1-CD2 4.16Å; F112-Y124 AromaticContact CD1-CE1 3.94Å; F112-Y124 HydrophobicContact CD1-CE1 3.94Å; F112-Y124 HydrophobicContact CD1-CE2 4.46Å; F112-Y124 AromaticContact CD1-CG 3.68Å; F112-Y124 HydrophobicContact CD1-CG 3.68Å; F112-Y124 HydrophobicContact CE1-CD1 4.34Å; F112-Y124 HydrophobicContact CE1-CG 4.14Å; F112-Y124 HydrophobicContact CG-CD1 4.47Å; F112-Y124 HydrophobicContact CG-CE1 4.48Å; F112-Y124 VanDerWaalsContact O-CE1 3.31Å; F112-Y124 WeakPolarHBondContact O-CE1 3.5Å; F112-Y124 PolarHBondContact O-OH 3.29Å; A120-Y124 WeakPolarHBondContact CA-OH 3.41Å; A121-Y124 HydrophobicContact CB-CD2 4.34Å; A121-Y124 HydrophobicContact CB-CE1 4.01Å; A121-Y124 HydrophobicContact CB-CE2 3.83Å; A121-Y124 PolarHBondContact N-OH 2.76Å; A121-Y124 WeakPolarHBondContact O-CE2 3.34Å; Y124-I146 HydrophobicContact CD2-CD1 3.53Å; Y124-I146 HydrophobicContact CE2-CD1 3.93Å; Y124-I146 HydrophobicContact CE2-CG1 4.48Å; Y124-I146 HydrophobicContact CG-CD1 4.16Å; Y124-H150 AromaticContact CE2-NE2 3.71Å; Y124-I165 WeakPolarHBondContact O-CA 3.4Å; Y124-F166 PolarHBondContact N-O 3.45Å; Y124-F166 PolarHBondContact O-N 2.84Å
125	A	98.9	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.2	171.7	0	0	0	0	0	109.7	Q90 V91 V92 L163 M164 I165 F208	Q90-A125 PolarHBondContact O-N 2.93Å; V91-A125 WeakPolarHBondContact CA-O 3.35Å; V91-A125 HydrophobicContact CG1-CB 4.4Å; V91-A125 HydrophobicContact CG2-CB 4.31Å; V92-A125 PolarHBondContact N-O 3.47Å; A125-L163 HydrophobicContact CB-CD1 4.36Å; A125-M164 CarbonylContact C-O 3.56Å; A125-M164 WeakPolarHBondContact CA-O 3.38Å; A125-I165 HydrophobicContact CB-CD1 3.71Å; A125-F208 HydrophobicContact CB-CD1 3.38Å; A125-F208 HydrophobicContact CB-CE1 3.56Å; A125-F208 HydrophobicContact CB-CG 4.04Å; A125-F208 HydrophobicContact CB-CZ 4.34Å
126	I	98.8	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.5	-179.2	-49.2	-57.5	0	0	0	108.9	V92 F112 I128 L142 L163 M164 F166	V92-I126 HydrophobicContact CB-CD1 3.8Å; V92-I126 HydrophobicContact CG2-CD1 3.67Å; F112-I126 HydrophobicContact CD1-CD1 4.46Å; F112-I126 HydrophobicContact CE1-CD1 3.86Å; F112-I126 HydrophobicContact CE1-CG1 4.14Å; F112-I126 HydrophobicContact CZ-CD1 4.26Å; F112-I126 HydrophobicContact CZ-CG1 4.29Å; I126-I128 HydrophobicContact CG2-CD1 3.77Å; I126-I128 HydrophobicContact CG2-CG1 4.06Å; I126-L142 HydrophobicContact CG2-CD1 4.35Å; I126-L163 WeakPolarHBondContact O-CA 3.41Å; I126-M164 HydrophobicContact CB-CB 4.34Å; I126-M164 PolarHBondContact N-O 2.77Å; I126-M164 PolarHBondContact O-N 2.9Å; I126-F166 HydrophobicContact CG1-CD2 4.24Å; I126-F166 HydrophobicContact CG1-CE2 4.26Å
127	C	98.9	Very high	93.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.2	-176.8	-56.4	0	0	0	0	109.4	V92 T93 W94 Q129 S210 A262	V92-C127 WeakPolarHBondContact O-CA 3.44Å; V92-C127 VanDerWaalsContact O-CB 3.22Å; V92-C127 WeakPolarHBondContact O-CB 3.37Å; V92-C127 PolarHBondContact O-N 3.42Å; T93-C127 CarbonylContact C-O 3.54Å; T93-C127 VanDerWaalsContact CA-O 3.25Å; T93-C127 WeakPolarHBondContact CA-O 3.45Å; W94-C127 PolarHBondContact N-O 3.5Å; C127-Q129 PolarHBondContact O-NE2 3.5Å; C127-S210 WeakPolarHBondContact CB-OG 3.38Å; C127-A262 HydrophobicContact CB-CB 4.2Å
128	I	98.2	Very high	94.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.1	-178.6	-55.6	-59.2	0	0	0	110.5	W94 M96 I126 C131 L138 L161 A162 M164	W94-I128 HydrophobicContact CB-CD1 3.98Å; W94-I128 HydrophobicContact CE3-CD1 4.18Å; W94-I128 WeakPolarHBondContact O-CA 3.36Å; M96-I128 HydrophobicContact CB-CG2 4.29Å; M96-I128 HydrophobicContact CG-CD1 4.45Å; M96-I128 HydrophobicContact CG-CG2 3.78Å; M96-I128 HydrophobicContact SD-CD1 4.04Å; M96-I128 HydrophobicContact SD-CG1 4.35Å; M96-I128 HydrophobicContact SD-CG2 3.5Å; M96-I128 VanDerWaalsContact SD-CG2 3.5Å; I126-I128 HydrophobicContact CG2-CD1 3.77Å; I126-I128 HydrophobicContact CG2-CG1 4.06Å; I128-C131 HydrophobicContact CB-CB 4.46Å; I128-C131 HydrophobicContact CG2-CB 3.68Å; I128-L138 HydrophobicContact CG1-CD2 4.29Å; I128-L161 WeakPolarHBondContact O-CA 3.21Å; I128-A162 HydrophobicContact CB-CB 4.33Å; I128-A162 PolarHBondContact N-O 2.92Å; I128-A162 PolarHBondContact O-N 3.45Å; I128-M164 HydrophobicContact CG1-SD 4.35Å
129	Q	97.4	Very high	95.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.1	169.2	-55.6	75	47.3	0	0	109.1	T93 W94 N95 M96 C127 C131 L161 S210 S211 H212 D264	T93-Q129 PolarHBondContact OG1-NE2 3.23Å; T93-Q129 PolarHBondContact OG1-OE1 3.16Å; W94-Q129 VanDerWaalsContact C-OE1 3.31Å; W94-Q129 PolarHBondContact O-N 3.39Å; W94-Q129 VanDerWaalsContact O-N 3.11Å; W94-Q129 PolarHBondContact O-OE1 2.87Å; N95-Q129 WeakPolarHBondContact CA-O 3.36Å; N95-Q129 HydrophobicContact CB-CB 4.1Å; M96-Q129 PolarHBondContact N-O 3.39Å; C127-Q129 PolarHBondContact O-NE2 3.5Å; Q129-C131 PolarHBondContact O-N 3.5Å; Q129-L161 HydrophobicContact CB-CD2 4.38Å; Q129-L161 HydrophobicContact CG-CD2 3.84Å; Q129-S210 PolarHBondContact NE2-OG 2.76Å; Q129-S210 VanDerWaalsContact NE2-OG 3.09Å; Q129-S211 VanDerWaalsContact CG-O 3.23Å; Q129-S211 WeakPolarHBondContact CG-O 3.21Å; Q129-H212 HydrophobicContact CB-CB 4.22Å; Q129-H212 HydrophobicContact CG-CB 3.85Å; Q129-D264 HydrophobicContact CB-CB 4.42Å; Q129-D264 HydrophobicContact CG-CB 4.04Å
130	E	95.7	Very high	96	Very high	48 Å²	48	25.2 Å²	25.2	22%	0.224	15%	0.151	C	C	.	.	S	Bend	trans	51.6	41.5	-173.4	-55.5	-163.7	-165	0	0	112	N95 L97 S98 T160 H212	N95-E130 WeakPolarHBondContact OD1-CB 3.46Å; N95-E130 WeakPolarHBondContact OD1-CG 3.44Å; L97-E130 WeakPolarHBondContact CA-OE2 3.44Å; S98-E130 WeakPolarHBondContact CA-O 3.5Å; S98-E130 PolarHBondContact N-O 3.08Å; E130-T160 PolarHBondContact N-O 3.36Å; E130-T160 VanDerWaalsContact N-O 3.16Å; E130-H212 IonicContact OE1-CE1 3.94Å; E130-H212 PolarHBondContact OE1-CE1 3.44Å
131	C	94.9	Very high	96.1	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.034	13%	0.134	C	C	.	.			trans	-65.5	133.6	171.7	-173.1	0	0	0	0	108.9	I128 Q129 T160 A162	I128-C131 HydrophobicContact CB-CB 4.46Å; I128-C131 HydrophobicContact CG2-CB 3.68Å; Q129-C131 PolarHBondContact O-N 3.5Å; C131-T160 WeakPolarHBondContact CB-O 3.34Å; C131-T160 PolarHBondContact N-O 2.96Å; C131-A162 HydrophobicContact CB-CB 4.37Å
132	S	92.7	Very high	96.2	Very high	15 Å²	15	23.7 Å²	23.7	11%	0.105	13%	0.134	C	C	.	.			trans	-66.8	169.3	173.1	87.4	0	0	0	0	111.8	M99 Y104 D134 K135	M99-S132 VanDerWaalsContact O-CB 3.27Å; M99-S132 WeakPolarHBondContact O-CB 3.46Å; Y104-S132 PolarHBondContact OH-OG 2.93Å; S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.38Å; S132-D134 PolarHBondContact OG-N 3.48Å; S132-K135 WeakPolarHBondContact O-CG 3.28Å
133	S	88.3	Confident	96.2	Very high	119 Å²	119	22.5 Å²	22.5	83%	0.832	13%	0.126	S	C	*	.	S	Bend	trans	-66.6	-26.8	178.1	55.2	0	0	0	0	113.4	K135	S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 2.86Å
134	D	89.9	Confident	96.1	Very high	63 Å²	63	23 Å²	23	34%	0.337	13%	0.129	S	C	.	.			trans	-84.5	75.5	176.7	-175.8	9.3	0	0	0	110.5	S101 Y104 S132 E137	S101-D134 WeakPolarHBondContact CB-OD2 3.43Å; S101-D134 PolarHBondContact OG-OD2 3.04Å; Y104-D134 PolarHBondContact OH-O 2.87Å; S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.38Å; S132-D134 PolarHBondContact OG-N 3.48Å; D134-E137 PolarHBondContact OD1-N 2.92Å
135	K	91.7	Very high	96	Very high	40 Å²	40	23 Å²	23	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-75.6	-30.9	-179	-52	-173.9	-168.4	-175.6	0	111.2	S132 S133 E137 L138 L139 T157 G159	S132-K135 WeakPolarHBondContact O-CG 3.28Å; S133-K135 VanDerWaalsContact C-N 3.29Å; S133-K135 PolarHBondContact O-N 2.86Å; K135-E137 PolarHBondContact O-N 3.4Å; K135-L138 WeakPolarHBondContact O-CB 3.25Å; K135-L138 PolarHBondContact O-N 3.16Å; K135-L138 VanDerWaalsContact O-N 3.16Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.85Å; K135-T157 HydrophobicContact CD-CG2 3.63Å; K135-T157 PolarHBondContact NZ-OG1 3.39Å; K135-G159 PolarHBondContact NZ-O 2.94Å
136	N	96.2	Very high	95.9	Very high	101 Å²	101	23.5 Å²	23.5	54%	0.54	13%	0.132	S	C	.	.	H	α-helix	trans	-63.2	-43.7	-176	-77.7	-18.5	0	0	0	112.3	L138 L139 V140	N136-L138 VanDerWaalsContact C-N 3.28Å; N136-L138 PolarHBondContact O-N 3.13Å; N136-L139 PolarHBondContact O-N 3.35Å; N136-V140 WeakPolarHBondContact O-CG2 3.22Å; N136-V140 PolarHBondContact O-N 2.94Å
137	E	96.2	Very high	95.7	Very high	39 Å²	39	23.6 Å²	23.6	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-38	175.8	179.3	61.3	-167.5	0	0	111.5	Y104 D134 K135 V140 R141 R408	Y104-E137 HydrophobicContact CD2-CG 4.43Å; D134-E137 PolarHBondContact OD1-N 2.92Å; K135-E137 PolarHBondContact O-N 3.4Å; E137-V140 PolarHBondContact O-N 3.15Å; E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 VanDerWaalsContact O-CG 3.31Å; E137-R141 WeakPolarHBondContact O-CG 3.15Å; E137-R141 PolarHBondContact O-N 2.88Å; E137-R141 IonicContact OE1-CZ 3.16Å; E137-R141 IonicContact OE1-NE 3.32Å; E137-R141 PolarHBondContact OE1-NE 3.38Å; E137-R141 IonicContact OE1-NH2 3.5Å; E137-R141 PolarHBondContact OE1-NH2 2.78Å; E137-R408 IonicContact OE1-CZ 2.75Å; E137-R408 IonicContact OE1-NH1 3.57Å; E137-R408 PolarHBondContact OE1-NH1 3.4Å; E137-R408 IonicContact OE1-NH2 3.34Å; E137-R408 PolarHBondContact OE1-NH2 3.34Å; E137-R408 IonicContact OE2-CZ 3.55Å; E137-R408 IonicContact OE2-NH1 2.84Å; E137-R408 IonicContact OE2-NH2 2.7Å; E137-R408 PolarHBondContact OE2-NH2 2.97Å
138	L	97	Very high	95.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-47.9	174.7	-179.3	59.1	0	0	0	111.5	M96 Y104 L108 I128 K135 N136 V140 R141 L142 M164	M96-L138 HydrophobicContact CE-CD1 4.32Å; M96-L138 HydrophobicContact SD-CD1 4.42Å; M96-L138 HydrophobicContact SD-CD2 3.95Å; Y104-L138 HydrophobicContact CD2-CB 4.26Å; Y104-L138 HydrophobicContact CD2-CD1 4.41Å; Y104-L138 HydrophobicContact CE2-CB 3.64Å; Y104-L138 HydrophobicContact CE2-CD1 4.39Å; Y104-L138 HydrophobicContact CE2-CG 4.5Å; L108-L138 HydrophobicContact CD1-CD1 3.81Å; I128-L138 HydrophobicContact CG1-CD2 4.29Å; K135-L138 WeakPolarHBondContact O-CB 3.25Å; K135-L138 PolarHBondContact O-N 3.16Å; K135-L138 VanDerWaalsContact O-N 3.16Å; N136-L138 VanDerWaalsContact C-N 3.28Å; N136-L138 PolarHBondContact O-N 3.13Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 2.85Å; L138-R141 PolarHBondContact O-N 2.88Å; L138-L142 HydrophobicContact CD1-CD1 4.05Å; L138-L142 HydrophobicContact CD1-CG 4.08Å; L138-L142 HydrophobicContact CG-CD1 3.89Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.18Å; L138-L142 PolarHBondContact O-N 2.82Å; L138-M164 HydrophobicContact CD2-CE 3.97Å
139	L	98.2	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-44.1	178.6	-65.1	-179.9	0	0	0	111.6	K135 N136 L142 Q143 L152 Y155 M164 V401	K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.85Å; N136-L139 PolarHBondContact O-N 3.35Å; L139-L142 PolarHBondContact O-N 2.95Å; L139-Q143 WeakPolarHBondContact O-CB 3.37Å; L139-Q143 PolarHBondContact O-N 3.01Å; L139-L152 HydrophobicContact CB-CD2 4.23Å; L139-L152 HydrophobicContact CD1-CD2 4.09Å; L139-L152 HydrophobicContact CD2-CD2 3.89Å; L139-L152 HydrophobicContact CG-CD2 4.29Å; L139-Y155 HydrophobicContact CD1-CD1 4.04Å; L139-Y155 HydrophobicContact CD1-CD2 4.23Å; L139-Y155 HydrophobicContact CD1-CE1 3.85Å; L139-Y155 HydrophobicContact CD1-CE2 4.04Å; L139-Y155 HydrophobicContact CD1-CG 4.23Å; L139-Y155 HydrophobicContact CD2-CG 4.37Å; L139-M164 HydrophobicContact CD2-CE 3.72Å; L139-M164 HydrophobicContact CD2-CG 3.45Å; L139-M164 VanDerWaalsContact CD2-CG 3.45Å; L139-M164 HydrophobicContact CD2-SD 4.47Å; L139-V401 HydrophobicContact CB-CG1 3.96Å; L139-V401 HydrophobicContact CB-CG2 4.25Å; L139-V401 HydrophobicContact CD1-CG2 4.43Å
140	V	97.6	Very high	95.5	Very high	19 Å²	19	34 Å²	34	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-43.4	178.3	171.1	0	0	0	0	111.5	N136 E137 L138 Q143 A144 V401 A404 R408	N136-V140 WeakPolarHBondContact O-CG2 3.22Å; N136-V140 PolarHBondContact O-N 2.94Å; E137-V140 PolarHBondContact O-N 3.15Å; L138-V140 VanDerWaalsContact C-N 3.32Å; L138-V140 PolarHBondContact O-N 2.85Å; V140-Q143 PolarHBondContact O-N 2.94Å; V140-A144 WeakPolarHBondContact O-CB 3.14Å; V140-A144 PolarHBondContact O-N 2.97Å; V140-V401 HydrophobicContact CG2-CG1 4.45Å; V140-A404 HydrophobicContact CG1-CB 4.07Å; V140-A404 HydrophobicContact CG2-CB 3.79Å; V140-R408 HydrophobicContact CG1-CB 4.45Å
141	R	96.6	Very high	95.6	Very high	17 Å²	17	31.9 Å²	31.9	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-43.3	177	-73.4	179.6	-174.8	-133.1	-4.9	112.3	Y104 P105 E106 L108 E137 L138 A144 A145	Y104-R141 PolarHBondContact O-NH1 2.98Å; P105-R141 VanDerWaalsContact C-NH1 3.34Å; P105-R141 PolarHBondContact O-NH1 3.44Å; E106-R141 IonicContact OE1-CZ 2.72Å; E106-R141 VanDerWaalsContact OE1-CZ 3.27Å; E106-R141 IonicContact OE1-NH1 3.21Å; E106-R141 PolarHBondContact OE1-NH1 2.96Å; E106-R141 IonicContact OE1-NH2 3.39Å; E106-R141 PolarHBondContact OE1-NH2 2.9Å; L108-R141 HydrophobicContact CD1-CB 3.86Å; E137-R141 WeakPolarHBondContact O-CB 3.41Å; E137-R141 VanDerWaalsContact O-CG 3.31Å; E137-R141 WeakPolarHBondContact O-CG 3.15Å; E137-R141 PolarHBondContact O-N 2.88Å; E137-R141 IonicContact OE1-CZ 3.16Å; E137-R141 IonicContact OE1-NE 3.32Å; E137-R141 PolarHBondContact OE1-NE 3.38Å; E137-R141 IonicContact OE1-NH2 3.5Å; E137-R141 PolarHBondContact OE1-NH2 2.78Å; L138-R141 PolarHBondContact O-N 2.88Å; R141-A144 PolarHBondContact O-N 3.13Å; R141-A145 WeakPolarHBondContact O-CB 3.33Å; R141-A145 PolarHBondContact O-N 2.88Å
142	L	98	Very high	95.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-45.8	175.7	-72.4	170.7	0	0	0	111.2	L108 L111 F112 I126 L138 L139 A144 A145 I146 F166	L108-L142 HydrophobicContact CB-CD2 4.15Å; L108-L142 HydrophobicContact CD1-CD2 3.73Å; L108-L142 HydrophobicContact CD1-CG 3.97Å; L111-L142 HydrophobicContact CD1-CD2 3.84Å; F112-L142 HydrophobicContact CE2-CB 4.45Å; F112-L142 HydrophobicContact CE2-CD2 3.85Å; F112-L142 HydrophobicContact CZ-CB 4.18Å; F112-L142 HydrophobicContact CZ-CD2 3.84Å; I126-L142 HydrophobicContact CG2-CD1 4.35Å; L138-L142 HydrophobicContact CD1-CD1 4.05Å; L138-L142 HydrophobicContact CD1-CG 4.08Å; L138-L142 HydrophobicContact CG-CD1 3.89Å; L138-L142 HydrophobicContact CG-CG 4.37Å; L138-L142 WeakPolarHBondContact O-CB 3.46Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.18Å; L138-L142 PolarHBondContact O-N 2.82Å; L139-L142 PolarHBondContact O-N 2.95Å; L142-A144 VanDerWaalsContact C-N 3.34Å; L142-A144 PolarHBondContact O-N 2.75Å; L142-A145 WeakPolarHBondContact O-CB 3.01Å; L142-A145 PolarHBondContact O-N 3.31Å; L142-I146 WeakPolarHBondContact O-CG2 3.49Å; L142-I146 PolarHBondContact O-N 2.9Å; L142-F166 HydrophobicContact CB-CE2 3.97Å; L142-F166 HydrophobicContact CB-CZ 3.57Å; L142-F166 HydrophobicContact CD1-CE2 4.3Å
143	Q	98.3	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-37.5	177.1	-176.9	62.4	80.1	0	0	112.6	L139 V140 A145 G147 H150 F166 V401 Y402	L139-Q143 WeakPolarHBondContact O-CB 3.37Å; L139-Q143 PolarHBondContact O-N 3.01Å; V140-Q143 PolarHBondContact O-N 2.94Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; Q143-G147 PolarHBondContact NE2-O 3.3Å; Q143-G147 VanDerWaalsContact NE2-O 3.16Å; Q143-G147 PolarHBondContact O-N 2.8Å; Q143-G147 VanDerWaalsContact O-N 3.16Å; Q143-H150 PolarHBondContact NE2-O 2.94Å; Q143-F166 HydrophobicContact CB-CE1 4.05Å; Q143-V401 HydrophobicContact CB-CG1 3.86Å; Q143-V401 HydrophobicContact CG-CG1 4.25Å; Q143-Y402 HydrophobicContact CG-CD2 4.45Å
144	A	97.1	Very high	96.6	Very high	9 Å²	9	26.7 Å²	26.7	7%	0.074	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-38	174.4	0	0	0	0	0	112.2	V140 R141 L142 G405 R408 R409	V140-A144 WeakPolarHBondContact O-CB 3.14Å; V140-A144 PolarHBondContact O-N 2.97Å; R141-A144 PolarHBondContact O-N 3.13Å; L142-A144 VanDerWaalsContact C-N 3.34Å; L142-A144 PolarHBondContact O-N 2.75Å; A144-G405 WeakPolarHBondContact CA-O 3.32Å; A144-G405 VanDerWaalsContact CB-O 3.25Å; A144-G405 WeakPolarHBondContact CB-O 3.32Å; A144-R408 HydrophobicContact CB-CB 4.11Å; A144-R408 HydrophobicContact CB-CG 4.19Å; A144-R409 HydrophobicContact CB-CB 4.3Å; A144-R409 WeakPolarHBondContact O-CD 3.12Å; A144-R409 PolarHBondContact O-NH1 3.35Å
145	A	96	Very high	97	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-54.8	178.7	0	0	0	0	0	111.9	L108 F112 R141 L142 Q143 G147 R409	L108-A145 HydrophobicContact CB-CB 4.13Å; F112-A145 HydrophobicContact CD2-CB 4.13Å; F112-A145 HydrophobicContact CE2-CB 3.97Å; R141-A145 WeakPolarHBondContact O-CB 3.33Å; R141-A145 PolarHBondContact O-N 2.88Å; L142-A145 WeakPolarHBondContact O-CB 3.01Å; L142-A145 PolarHBondContact O-N 3.31Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-G147 PolarHBondContact O-N 3.43Å; A145-R409 PolarHBondContact O-NH1 3.09Å
146	I	96.6	Very high	97.3	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.056	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-31.5	-178.2	-162.7	174.9	0	0	0	112.9	F112 Y124 L142 H150 F166	F112-I146 HydrophobicContact CD1-CB 3.99Å; F112-I146 HydrophobicContact CD1-CD1 3.62Å; F112-I146 HydrophobicContact CD1-CG1 3.77Å; F112-I146 HydrophobicContact CD2-CB 4.12Å; F112-I146 HydrophobicContact CE1-CB 3.93Å; F112-I146 HydrophobicContact CE1-CD1 3.6Å; F112-I146 HydrophobicContact CE1-CG1 4.01Å; F112-I146 HydrophobicContact CE2-CB 4.03Å; F112-I146 HydrophobicContact CG-CB 4.09Å; F112-I146 HydrophobicContact CG-CD1 4.45Å; F112-I146 HydrophobicContact CG-CG1 4.11Å; F112-I146 HydrophobicContact CZ-CB 3.93Å; F112-I146 HydrophobicContact CZ-CD1 4.39Å; Y124-I146 HydrophobicContact CD2-CD1 3.53Å; Y124-I146 HydrophobicContact CE2-CD1 3.93Å; Y124-I146 HydrophobicContact CE2-CG1 4.48Å; Y124-I146 HydrophobicContact CG-CD1 4.16Å; L142-I146 WeakPolarHBondContact O-CG2 3.49Å; L142-I146 PolarHBondContact O-N 2.9Å; I146-H150 HydrophobicContact CD1-CB 3.47Å; I146-H150 VanDerWaalsContact CD1-CB 3.47Å; I146-H150 HydrophobicContact CG1-CB 3.9Å; I146-H150 HydrophobicContact CG2-CB 4.28Å; I146-F166 HydrophobicContact CD1-CB 3.57Å; I146-F166 HydrophobicContact CD1-CD1 4.24Å; I146-F166 HydrophobicContact CD1-CG 3.96Å; I146-F166 HydrophobicContact CG2-CD1 3.85Å; I146-F166 HydrophobicContact CG2-CE1 4.09Å
147	G	94.8	Very high	97.4	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	12%	0.12	C	C	.	.			trans	87.7	-165.4	174.1	0	0	0	0	0	115	Q143 A145	Q143-G147 PolarHBondContact NE2-O 3.3Å; Q143-G147 VanDerWaalsContact NE2-O 3.16Å; Q143-G147 PolarHBondContact O-N 2.8Å; Q143-G147 VanDerWaalsContact O-N 3.16Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-G147 PolarHBondContact O-N 3.43Å
148	I	95.3	Very high	97.3	Very high	91 Å²	91	23.9 Å²	23.9	47%	0.467	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-17.6	-160.9	65.2	171.8	0	0	0	115.2	H150 Y402 N406	I148-H150 VanDerWaalsContact C-N 3.27Å; I148-Y402 PolarHBondContact O-OH 2.83Å; I148-N406 WeakPolarHBondContact CG2-OD1 3.25Å
149	K	96.4	Very high	97.2	Very high	126 Å²	126	25.3 Å²	25.3	55%	0.548	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.9	-177.9	-72.8	-67.6	-169.5	171.3	0	112.2	R169	K149-R169 WeakPolarHBondContact O-CG 3.39Å; K149-R169 PolarHBondContact O-N 3.03Å
150	H	98.3	Very high	97	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.028	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.3	177.9	-63.2	69.3	0	0	0	110.8	A121 Y124 Q143 I146 I148 L167 N168 Y402	A121-H150 PolarHBondContact O-NE2 3.04Å; Y124-H150 AromaticContact CE2-NE2 3.71Å; Q143-H150 PolarHBondContact NE2-O 2.94Å; I146-H150 HydrophobicContact CD1-CB 3.47Å; I146-H150 VanDerWaalsContact CD1-CB 3.47Å; I146-H150 HydrophobicContact CG1-CB 3.9Å; I146-H150 HydrophobicContact CG2-CB 4.28Å; I148-H150 VanDerWaalsContact C-N 3.27Å; H150-L167 CarbonylContact C-O 3.54Å; H150-L167 VanDerWaalsContact CA-O 3.26Å; H150-L167 WeakPolarHBondContact CA-O 3.18Å; H150-N168 PolarHBondContact CD2-N 2.97Å; H150-Y402 WeakPolarHBondContact O-CE2 3.35Å
151	V	98.7	Very high	96.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.1	174.5	-67.3	0	0	0	0	109.2	F153 F166 L167 R169 I172 F397 Y402	V151-F153 VanDerWaalsContact C-N 3.27Å; V151-F153 PolarHBondContact O-N 3.13Å; V151-F166 VanDerWaalsContact O-CA 3.29Å; V151-F166 WeakPolarHBondContact O-CA 3.29Å; V151-L167 PolarHBondContact N-O 3.12Å; V151-L167 PolarHBondContact O-N 2.69Å; V151-R169 HydrophobicContact CG1-CB 3.94Å; V151-R169 HydrophobicContact CG2-CB 4.39Å; V151-I172 HydrophobicContact CG2-CD1 4.19Å; V151-F397 HydrophobicContact CB-CB 4.03Å; V151-F397 HydrophobicContact CB-CD1 4.45Å; V151-F397 HydrophobicContact CB-CD2 3.64Å; V151-F397 HydrophobicContact CB-CE2 4.21Å; V151-F397 HydrophobicContact CB-CG 3.79Å; V151-F397 HydrophobicContact CG1-CD1 4.31Å; V151-F397 HydrophobicContact CG1-CD2 3.72Å; V151-F397 HydrophobicContact CG1-CE1 4.36Å; V151-F397 HydrophobicContact CG1-CE2 3.75Å; V151-F397 HydrophobicContact CG1-CG 4.01Å; V151-F397 HydrophobicContact CG1-CZ 4.09Å; V151-F397 HydrophobicContact CG2-CB 3.87Å; V151-F397 HydrophobicContact CG2-CD1 4.4Å; V151-F397 HydrophobicContact CG2-CD2 4.34Å; V151-F397 HydrophobicContact CG2-CG 3.97Å; V151-Y402 HydrophobicContact CB-CD2 4.46Å; V151-Y402 HydrophobicContact CG1-CD2 3.74Å; V151-Y402 HydrophobicContact CG1-CE2 3.77Å; V151-Y402 HydrophobicContact CG1-CG 4.42Å
152	L	98.8	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	92.1	162.9	179.5	64.7	0	0	0	108.7	L139 Y155 M164 F166 N398 V401	L139-L152 HydrophobicContact CB-CD2 4.23Å; L139-L152 HydrophobicContact CD1-CD2 4.09Å; L139-L152 HydrophobicContact CD2-CD2 3.89Å; L139-L152 HydrophobicContact CG-CD2 4.29Å; L152-Y155 HydrophobicContact CD2-CD1 4.03Å; L152-M164 HydrophobicContact CD1-CB 3.96Å; L152-M164 HydrophobicContact CD1-CG 4.46Å; L152-F166 HydrophobicContact CB-CD1 4.09Å; L152-F166 HydrophobicContact CB-CE1 3.73Å; L152-F166 HydrophobicContact CB-CZ 4.28Å; L152-F166 HydrophobicContact CD1-CD1 4.45Å; L152-F166 HydrophobicContact CD1-CD2 4.4Å; L152-F166 HydrophobicContact CD1-CE1 4.08Å; L152-F166 HydrophobicContact CD1-CE2 4.02Å; L152-F166 HydrophobicContact CD1-CZ 3.84Å; L152-F166 HydrophobicContact CG-CE1 4.46Å; L152-N398 HydrophobicContact CB-CB 4.18Å; L152-N398 HydrophobicContact CD2-CB 3.9Å; L152-N398 HydrophobicContact CG-CB 4.09Å; L152-N398 WeakPolarHBondContact O-CB 3.49Å; L152-N398 PolarHBondContact O-N 3.1Å; L152-N398 PolarHBondContact O-ND2 2.97Å; L152-V401 HydrophobicContact CB-CG1 4.5Å; L152-V401 HydrophobicContact CD2-CB 4.16Å; L152-V401 HydrophobicContact CD2-CG1 3.89Å; L152-V401 HydrophobicContact CD2-CG2 4.13Å
153	F	98.7	Very high	97	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-53.1	-177.9	167.5	-134.3	0	0	0	110.4	V151 I165 L167 T175 S176 P178 F199 A393 N398	V151-F153 VanDerWaalsContact C-N 3.27Å; V151-F153 PolarHBondContact O-N 3.13Å; F153-I165 HydrophobicContact CD1-CG2 4.12Å; F153-I165 PolarHBondContact N-O 3.07Å; F153-L167 HydrophobicContact CB-CB 3.83Å; F153-L167 HydrophobicContact CB-CD2 4.41Å; F153-L167 HydrophobicContact CD1-CD2 4.34Å; F153-L167 HydrophobicContact CG-CB 4.44Å; F153-L167 HydrophobicContact CG-CD2 4.21Å; F153-T175 HydrophobicContact CE1-CG2 3.69Å; F153-T175 HydrophobicContact CE2-CG2 4.41Å; F153-T175 HydrophobicContact CZ-CG2 3.6Å; F153-S176 WeakPolarHBondContact CZ-O 3.22Å; F153-P178 HydrophobicContact CE1-CB 3.89Å; F153-P178 HydrophobicContact CE1-CG 4.03Å; F153-P178 HydrophobicContact CE2-CG 4.03Å; F153-P178 HydrophobicContact CZ-CB 3.84Å; F153-P178 HydrophobicContact CZ-CG 3.58Å; F153-F199 HydrophobicContact CE1-CB 4.32Å; F153-F199 AromaticContact CE1-CD1 3.9Å; F153-F199 HydrophobicContact CE1-CD1 3.9Å; F153-F199 HydrophobicContact CE1-CD2 4.44Å; F153-F199 HydrophobicContact CE1-CE1 4.3Å; F153-F199 AromaticContact CE1-CG 3.97Å; F153-F199 HydrophobicContact CE1-CG 3.97Å; F153-A393 HydrophobicContact CE2-CB 3.73Å; F153-A393 HydrophobicContact CZ-CB 4.26Å; F153-N398 PolarHBondContact O-ND2 3.2Å
154	T	98.7	Very high	97	Very high	22 Å²	22	25 Å²	25	14%	0.135	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.2	177.6	-171.5	0	0	0	0	110.8	I165 P178 I197	T154-I165 HydrophobicContact CG2-CB 4.01Å; T154-I165 HydrophobicContact CG2-CG1 4.01Å; T154-I165 PolarHBondContact N-O 3Å; T154-I165 PolarHBondContact O-N 3.28Å; T154-P178 HydrophobicContact CG2-CB 3.74Å; T154-P178 HydrophobicContact CG2-CG 3.89Å; T154-I197 HydrophobicContact CG2-CD1 4.08Å; T154-I197 HydrophobicContact CG2-CG2 3.77Å
155	Y	98.6	Very high	97.1	Very high	84 Å²	84	24.5 Å²	24.5	33%	0.329	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.1	166.8	71.3	-79.2	0	0	0	109.8	L139 L152 T157 L163	L139-Y155 HydrophobicContact CD1-CD1 4.04Å; L139-Y155 HydrophobicContact CD1-CD2 4.23Å; L139-Y155 HydrophobicContact CD1-CE1 3.85Å; L139-Y155 HydrophobicContact CD1-CE2 4.04Å; L139-Y155 HydrophobicContact CD1-CG 4.23Å; L139-Y155 HydrophobicContact CD2-CG 4.37Å; L152-Y155 HydrophobicContact CD2-CD1 4.03Å; Y155-T157 HydrophobicContact CD2-CG2 3.89Å; Y155-T157 HydrophobicContact CE2-CG2 4.1Å; Y155-L163 CarbonylContact C-O 3.5Å; Y155-L163 WeakPolarHBondContact CA-O 3.48Å; Y155-L163 WeakPolarHBondContact CB-O 3.44Å
156	A	98.2	Very high	97.3	Very high	10 Å²	10	24.4 Å²	24.4	8%	0.083	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.8	174.7	0	0	0	0	0	109.1	A162 L163 V195 I197	A156-A162 WeakPolarHBondContact O-CA 3.45Å; A156-L163 PolarHBondContact N-O 3.48Å; A156-L163 PolarHBondContact O-N 3.38Å; A156-V195 HydrophobicContact CB-CG2 3.53Å; A156-I197 HydrophobicContact CB-CD1 3.71Å; A156-I197 HydrophobicContact CB-CG1 3.73Å
157	T	96.9	Very high	97.4	Very high	57 Å²	57	23.9 Å²	23.9	35%	0.35	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.8	179.5	81.8	0	0	0	0	110.1	K135 Y155 L161 A162	K135-T157 HydrophobicContact CD-CG2 3.63Å; K135-T157 PolarHBondContact NZ-OG1 3.39Å; Y155-T157 HydrophobicContact CD2-CG2 3.89Å; Y155-T157 HydrophobicContact CE2-CG2 4.1Å; T157-L161 VanDerWaalsContact CA-O 3.22Å; T157-L161 WeakPolarHBondContact CA-O 3.3Å; T157-L161 WeakPolarHBondContact CB-O 3.45Å; T157-A162 HydrophobicContact CG2-CB 4.13Å
158	H	95.3	Very high	97.5	Very high	33 Å²	33	25.6 Å²	25.6	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	106.3	178.2	-167.2	57.7	0	0	0	109	T160 L161 V183 T184 V195	H158-T160 PolarHBondContact O-N 3.07Å; H158-L161 PolarHBondContact N-O 2.97Å; H158-L161 VanDerWaalsContact O-CB 3.29Å; H158-L161 WeakPolarHBondContact O-CB 3.3Å; H158-L161 PolarHBondContact O-N 2.77Å; H158-V183 PolarHBondContact CD2-O 2.87Å; H158-T184 PolarHBondContact NE2-OG1 2.84Å; H158-V195 HydrophobicContact CB-CB 4.05Å; H158-V195 HydrophobicContact CB-CG2 4.39Å
159	G	93.4	Very high	97.5	Very high	31 Å²	31	26.8 Å²	26.8	32%	0.32	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-120.6	-166	0	0	0	0	0	111.7	K135 L161	K135-G159 PolarHBondContact NZ-O 2.94Å; G159-L161 VanDerWaalsContact C-N 3.34Å
160	T	94	Very high	97.5	Very high	29 Å²	29	24.6 Å²	24.6	18%	0.178	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.7	178.5	62.3	0	0	0	0	113.8	E130 C131 H158 T191	E130-T160 PolarHBondContact N-O 3.36Å; E130-T160 VanDerWaalsContact N-O 3.16Å; C131-T160 WeakPolarHBondContact CB-O 3.34Å; C131-T160 PolarHBondContact N-O 2.96Å; H158-T160 PolarHBondContact O-N 3.07Å; T160-T191 HydrophobicContact CG2-CG2 3.97Å
161	L	96.8	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	143.1	174	-64.7	162.5	0	0	0	110.1	I128 Q129 T157 H158 G159 V195 H212	I128-L161 WeakPolarHBondContact O-CA 3.21Å; Q129-L161 HydrophobicContact CB-CD2 4.38Å; Q129-L161 HydrophobicContact CG-CD2 3.84Å; T157-L161 VanDerWaalsContact CA-O 3.22Å; T157-L161 WeakPolarHBondContact CA-O 3.3Å; T157-L161 WeakPolarHBondContact CB-O 3.45Å; H158-L161 PolarHBondContact N-O 2.97Å; H158-L161 VanDerWaalsContact O-CB 3.29Å; H158-L161 WeakPolarHBondContact O-CB 3.3Å; H158-L161 PolarHBondContact O-N 2.77Å; G159-L161 VanDerWaalsContact C-N 3.34Å; L161-V195 HydrophobicContact CB-CB 4.4Å; L161-V195 HydrophobicContact CB-CG1 3.89Å; L161-H212 HydrophobicContact CD2-CB 3.69Å
162	A	97.8	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.4	165.9	0	0	0	0	0	110.9	I128 C131 A156 T157 M164 S210	I128-A162 HydrophobicContact CB-CB 4.33Å; I128-A162 PolarHBondContact N-O 2.92Å; I128-A162 PolarHBondContact O-N 3.45Å; C131-A162 HydrophobicContact CB-CB 4.37Å; A156-A162 WeakPolarHBondContact O-CA 3.45Å; T157-A162 HydrophobicContact CG2-CB 4.13Å; A162-M164 HydrophobicContact CB-CE 3.42Å; A162-M164 VanDerWaalsContact CB-CE 3.42Å; A162-M164 HydrophobicContact CB-SD 3.84Å; A162-S210 PolarHBondContact O-OG 3.43Å
163	L	98.8	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.8	172.8	172.4	57.5	0	0	0	107.7	A125 I126 Y155 A156 I165 V195 I197 F208	A125-L163 HydrophobicContact CB-CD1 4.36Å; I126-L163 WeakPolarHBondContact O-CA 3.41Å; Y155-L163 CarbonylContact C-O 3.5Å; Y155-L163 WeakPolarHBondContact CA-O 3.48Å; Y155-L163 WeakPolarHBondContact CB-O 3.44Å; A156-L163 PolarHBondContact N-O 3.48Å; A156-L163 PolarHBondContact O-N 3.38Å; L163-I165 HydrophobicContact CD1-CD1 4.11Å; L163-I165 HydrophobicContact CG-CD1 4.39Å; L163-V195 HydrophobicContact CB-CG1 3.73Å; L163-I197 HydrophobicContact CB-CD1 4.26Å; L163-I197 HydrophobicContact CD2-CB 3.95Å; L163-I197 HydrophobicContact CD2-CD1 4.07Å; L163-I197 HydrophobicContact CD2-CG1 3.82Å; L163-I197 HydrophobicContact CG-CD1 3.84Å; L163-I197 HydrophobicContact CG-CG1 4.17Å; L163-I197 WeakPolarHBondContact O-CD1 3.38Å; L163-F208 HydrophobicContact CD1-CB 4.32Å; L163-F208 HydrophobicContact CD2-CB 3.85Å; L163-F208 WeakPolarHBondContact CD2-O 3.43Å
164	M	98.8	Very high	96.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.8	-179.1	-58	79.2	168.3	0	0	109.8	A125 I126 I128 L138 L139 L152 A162 F166	A125-M164 CarbonylContact C-O 3.56Å; A125-M164 WeakPolarHBondContact CA-O 3.38Å; I126-M164 HydrophobicContact CB-CB 4.34Å; I126-M164 PolarHBondContact N-O 2.77Å; I126-M164 PolarHBondContact O-N 2.9Å; I128-M164 HydrophobicContact CG1-SD 4.35Å; L138-M164 HydrophobicContact CD2-CE 3.97Å; L139-M164 HydrophobicContact CD2-CE 3.72Å; L139-M164 HydrophobicContact CD2-CG 3.45Å; L139-M164 VanDerWaalsContact CD2-CG 3.45Å; L139-M164 HydrophobicContact CD2-SD 4.47Å; L152-M164 HydrophobicContact CD1-CB 3.96Å; L152-M164 HydrophobicContact CD1-CG 4.46Å; A162-M164 HydrophobicContact CB-CE 3.42Å; A162-M164 VanDerWaalsContact CB-CE 3.42Å; A162-M164 HydrophobicContact CB-SD 3.84Å; M164-F166 HydrophobicContact CB-CE2 4.05Å
165	I	98.9	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.3	175.9	-52.8	-58.4	0	0	0	108.7	I123 Y124 A125 F153 T154 L163 I197 F199 F208	I123-I165 HydrophobicContact CG2-CG2 3.99Å; Y124-I165 WeakPolarHBondContact O-CA 3.4Å; A125-I165 HydrophobicContact CB-CD1 3.71Å; F153-I165 HydrophobicContact CD1-CG2 4.12Å; F153-I165 PolarHBondContact N-O 3.07Å; T154-I165 HydrophobicContact CG2-CB 4.01Å; T154-I165 HydrophobicContact CG2-CG1 4.01Å; T154-I165 PolarHBondContact N-O 3Å; T154-I165 PolarHBondContact O-N 3.28Å; L163-I165 HydrophobicContact CD1-CD1 4.11Å; L163-I165 HydrophobicContact CG-CD1 4.39Å; I165-I197 HydrophobicContact CG1-CD1 4.13Å; I165-I197 HydrophobicContact CG1-CG2 4.12Å; I165-F199 HydrophobicContact CG1-CE1 4.3Å; I165-F199 HydrophobicContact CG2-CE1 3.92Å; I165-F199 HydrophobicContact CG2-CZ 4.11Å; I165-F208 HydrophobicContact CD1-CB 4.23Å; I165-F208 HydrophobicContact CD1-CD2 3.74Å; I165-F208 HydrophobicContact CD1-CE2 4.19Å; I165-F208 HydrophobicContact CD1-CG 3.91Å
166	F	98.8	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.5	166.4	-65.7	-94.7	0	0	0	109.3	F112 I123 Y124 I126 L142 Q143 I146 V151 L152 M164	F112-F166 HydrophobicContact CE1-CD2 4.1Å; F112-F166 HydrophobicContact CE1-CE2 4.47Å; F112-F166 HydrophobicContact CE1-CG 4.49Å; F112-F166 HydrophobicContact CZ-CD2 4.29Å; F112-F166 HydrophobicContact CZ-CE2 4.2Å; I123-F166 CarbonylContact C-O 3.41Å; I123-F166 WeakPolarHBondContact CA-O 3.36Å; Y124-F166 PolarHBondContact N-O 3.45Å; Y124-F166 PolarHBondContact O-N 2.84Å; I126-F166 HydrophobicContact CG1-CD2 4.24Å; I126-F166 HydrophobicContact CG1-CE2 4.26Å; L142-F166 HydrophobicContact CB-CE2 3.97Å; L142-F166 HydrophobicContact CB-CZ 3.57Å; L142-F166 HydrophobicContact CD1-CE2 4.3Å; Q143-F166 HydrophobicContact CB-CE1 4.05Å; I146-F166 HydrophobicContact CD1-CB 3.57Å; I146-F166 HydrophobicContact CD1-CD1 4.24Å; I146-F166 HydrophobicContact CD1-CG 3.96Å; I146-F166 HydrophobicContact CG2-CD1 3.85Å; I146-F166 HydrophobicContact CG2-CE1 4.09Å; V151-F166 VanDerWaalsContact O-CA 3.29Å; V151-F166 WeakPolarHBondContact O-CA 3.29Å; L152-F166 HydrophobicContact CB-CD1 4.09Å; L152-F166 HydrophobicContact CB-CE1 3.73Å; L152-F166 HydrophobicContact CB-CZ 4.28Å; L152-F166 HydrophobicContact CD1-CD1 4.45Å; L152-F166 HydrophobicContact CD1-CD2 4.4Å; L152-F166 HydrophobicContact CD1-CE1 4.08Å; L152-F166 HydrophobicContact CD1-CE2 4.02Å; L152-F166 HydrophobicContact CD1-CZ 3.84Å; L152-F166 HydrophobicContact CG-CE1 4.46Å; M164-F166 HydrophobicContact CB-CE2 4.05Å
167	L	98.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.5	-175.7	-179.2	62.6	0	0	0	108.6	I123 H150 V151 F153 R169 L171 I172 T175	I123-L167 HydrophobicContact CD1-CD1 3.97Å; I123-L167 HydrophobicContact CG1-CD1 3.65Å; H150-L167 CarbonylContact C-O 3.54Å; H150-L167 VanDerWaalsContact CA-O 3.26Å; H150-L167 WeakPolarHBondContact CA-O 3.18Å; V151-L167 PolarHBondContact N-O 3.12Å; V151-L167 PolarHBondContact O-N 2.69Å; F153-L167 HydrophobicContact CB-CB 3.83Å; F153-L167 HydrophobicContact CB-CD2 4.41Å; F153-L167 HydrophobicContact CD1-CD2 4.34Å; F153-L167 HydrophobicContact CG-CB 4.44Å; F153-L167 HydrophobicContact CG-CD2 4.21Å; L167-R169 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact O-N 3.13Å; L167-L171 HydrophobicContact CD1-CB 3.85Å; L167-L171 HydrophobicContact CD1-CD1 4.06Å; L167-L171 HydrophobicContact CD2-CB 4.39Å; L167-L171 HydrophobicContact CG-CB 4.13Å; L167-I172 HydrophobicContact CD2-CB 4.34Å; L167-T175 HydrophobicContact CD2-CG2 4.28Å; L167-T175 WeakPolarHBondContact CD2-OG1 3.4Å
168	N	97.9	Very high	96.2	Very high	38 Å²	38	28.9 Å²	28.9	20%	0.203	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	122.4	165.9	179.2	-41.7	0	0	0	108.1	S122 H150 D170 L171	S122-N168 WeakPolarHBondContact O-CB 3.31Å; S122-N168 PolarHBondContact O-N 2.92Å; H150-N168 PolarHBondContact CD2-N 2.97Å; N168-D170 PolarHBondContact O-N 2.88Å; N168-D170 PolarHBondContact OD1-N 2.88Å; N168-L171 HydrophobicContact CB-CD1 4.12Å; N168-L171 HydrophobicContact CB-CG 4.22Å; N168-L171 WeakPolarHBondContact O-CB 3.41Å; N168-L171 PolarHBondContact O-N 2.79Å
169	R	96.3	Very high	96.3	Very high	116 Å²	116	28.4 Å²	28.4	44%	0.438	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	-169.4	72	176.6	-137.5	-179.5	9.4	113.7	K149 V151 L167 L171 I172	K149-R169 WeakPolarHBondContact O-CG 3.39Å; K149-R169 PolarHBondContact O-N 3.03Å; V151-R169 HydrophobicContact CG1-CB 3.94Å; V151-R169 HydrophobicContact CG2-CB 4.39Å; L167-R169 PolarHBondContact O-N 2.88Å; L167-R169 VanDerWaalsContact O-N 3.13Å; R169-L171 VanDerWaalsContact C-N 3.34Å; R169-I172 WeakPolarHBondContact O-CG2 3.46Å
170	D	94.4	Very high	96.5	Very high	79 Å²	79	29 Å²	29	42%	0.422	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.2	-178.7	-59.4	-28.2	0	0	0	111.4	N168 I172	N168-D170 PolarHBondContact O-N 2.88Å; N168-D170 PolarHBondContact OD1-N 2.88Å; D170-I172 VanDerWaalsContact C-N 3.33Å
171	L	96.4	Very high	96.7	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.042	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-79.7	-13.6	177.7	-62.3	-179.5	0	0	0	113.8	I81 I82 L167 N168 R169 W173 Y174 T175 L201	I81-L171 HydrophobicContact CG2-CD2 4.5Å; I82-L171 HydrophobicContact CD1-CD2 3.94Å; L167-L171 HydrophobicContact CD1-CB 3.85Å; L167-L171 HydrophobicContact CD1-CD1 4.06Å; L167-L171 HydrophobicContact CD2-CB 4.39Å; L167-L171 HydrophobicContact CG-CB 4.13Å; N168-L171 HydrophobicContact CB-CD1 4.12Å; N168-L171 HydrophobicContact CB-CG 4.22Å; N168-L171 WeakPolarHBondContact O-CB 3.41Å; N168-L171 PolarHBondContact O-N 2.79Å; R169-L171 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 3.13Å; L171-W173 VanDerWaalsContact O-N 3.15Å; L171-Y174 PolarHBondContact O-N 2.85Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.41Å; L171-L201 HydrophobicContact CB-CD1 4.31Å; L171-L201 HydrophobicContact CD1-CD2 4.36Å
172	I	95.1	Very high	96.7	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.3	-176.3	-160.9	165.9	0	0	0	113.2	V151 L167 R169 D170 Y174 T175 A396 F397	V151-I172 HydrophobicContact CG2-CD1 4.19Å; L167-I172 HydrophobicContact CD2-CB 4.34Å; R169-I172 WeakPolarHBondContact O-CG2 3.46Å; D170-I172 VanDerWaalsContact C-N 3.33Å; I172-Y174 PolarHBondContact O-N 2.88Å; I172-T175 PolarHBondContact O-N 2.94Å; I172-A396 WeakPolarHBondContact CD1-O 2.98Å; I172-F397 HydrophobicContact CD1-CB 3.8Å; I172-F397 HydrophobicContact CD1-CD1 3.67Å; I172-F397 HydrophobicContact CD1-CG 4.17Å
173	W	92.9	Very high	96.6	Very high	118 Å²	118	31.1 Å²	31.1	45%	0.447	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-74.1	-16.2	-178.8	-57.3	106.9	0	0	0	113.1	L171 A394	L171-W173 PolarHBondContact O-N 3.13Å; L171-W173 VanDerWaalsContact O-N 3.15Å; W173-A394 VanDerWaalsContact CZ3-C 3.4Å; W173-A394 VanDerWaalsContact CZ3-O 3.3Å; W173-A394 WeakPolarHBondContact CZ3-O 3.39Å
174	Y	94.2	Very high	96.5	Very high	35 Å²	35	33.5 Å²	33.5	14%	0.137	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-111.9	9.6	-179.4	-46.8	-78.5	0	0	0	112.1	L73 E77 I81 L171 I172 F202	L73-Y174 HydrophobicContact CD2-CD1 4.07Å; E77-Y174 HydrophobicContact CG-CE1 3.77Å; I81-Y174 HydrophobicContact CD1-CE2 4.45Å; I81-Y174 WeakPolarHBondContact CD1-OH 3.37Å; I81-Y174 HydrophobicContact CG1-CE1 4.44Å; I81-Y174 HydrophobicContact CG1-CE2 4.08Å; I81-Y174 WeakPolarHBondContact CG1-OH 3.33Å; I81-Y174 HydrophobicContact CG2-CE2 4.2Å; L171-Y174 PolarHBondContact O-N 2.85Å; I172-Y174 PolarHBondContact O-N 2.88Å; Y174-F202 HydrophobicContact CD1-CD1 4.34Å; Y174-F202 AromaticContact CD1-CE1 3.49Å; Y174-F202 HydrophobicContact CD1-CE1 3.49Å; Y174-F202 VanDerWaalsContact CD1-CE1 3.49Å; Y174-F202 HydrophobicContact CD1-CE2 4.31Å; Y174-F202 AromaticContact CD1-CZ 3.47Å; Y174-F202 HydrophobicContact CD1-CZ 3.47Å; Y174-F202 VanDerWaalsContact CD1-CZ 3.47Å; Y174-F202 HydrophobicContact CD2-CE2 4.05Å; Y174-F202 AromaticContact CD2-CZ 3.77Å; Y174-F202 HydrophobicContact CD2-CZ 3.77Å; Y174-F202 HydrophobicContact CE1-CE1 4.16Å; Y174-F202 HydrophobicContact CE1-CZ 4.07Å; Y174-F202 HydrophobicContact CE2-CZ 4.33Å; Y174-F202 HydrophobicContact CG-CD1 4.49Å; Y174-F202 HydrophobicContact CG-CD2 4.44Å; Y174-F202 AromaticContact CG-CE1 3.75Å; Y174-F202 HydrophobicContact CG-CE1 3.75Å; Y174-F202 AromaticContact CG-CE2 3.7Å; Y174-F202 HydrophobicContact CG-CE2 3.7Å; Y174-F202 AromaticContact CG-CZ 3.3Å; Y174-F202 HydrophobicContact CG-CZ 3.3Å; Y174-F202 PolarHBondContact O-N 3.01Å
175	T	95.9	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-107.9	137.2	-176.3	-54.7	0	0	0	0	110.3	F153 L167 L171 I172 F199 I200 L201 L392 A393	F153-T175 HydrophobicContact CE1-CG2 3.69Å; F153-T175 HydrophobicContact CE2-CG2 4.41Å; F153-T175 HydrophobicContact CZ-CG2 3.6Å; L167-T175 HydrophobicContact CD2-CG2 4.28Å; L167-T175 WeakPolarHBondContact CD2-OG1 3.4Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.41Å; I172-T175 PolarHBondContact O-N 2.94Å; T175-F199 HydrophobicContact CG2-CB 4.29Å; T175-F199 HydrophobicContact CG2-CD2 3.6Å; T175-F199 HydrophobicContact CG2-CE2 4.19Å; T175-F199 HydrophobicContact CG2-CG 4.13Å; T175-I200 CarbonylContact C-O 3.53Å; T175-I200 WeakPolarHBondContact CA-O 3.33Å; T175-L201 WeakPolarHBondContact OG1-CD1 3.44Å; T175-L392 WeakPolarHBondContact O-CD2 3.27Å; T175-A393 WeakPolarHBondContact O-CB 3.11Å; T175-A393 PolarHBondContact O-N 3Å
176	S	94.7	Very high	95.5	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.042	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-67.8	162.7	175.6	78.8	0	0	0	0	112.2	F153 F199 I200 A391	F153-S176 WeakPolarHBondContact CZ-O 3.22Å; S176-F199 WeakPolarHBondContact OG-CA 3.38Å; S176-I200 PolarHBondContact N-O 2.84Å; S176-I200 PolarHBondContact OG-N 3.45Å; S176-A391 CarbonylContact C-O 3.6Å; S176-A391 WeakPolarHBondContact CA-O 3.45Å; S176-A391 WeakPolarHBondContact CB-O 3.44Å
177	V	94.4	Very high	94.1	Very high	74 Å²	74	40.7 Å²	40.7	45%	0.448	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-54.4	129.4	162.9	179	0	0	0	0	108.4	A391	V177-A391 HydrophobicContact CG2-CB 4.25Å; V177-A391 PolarHBondContact N-O 3.17Å
178	P	97.2	Very high	92.2	Very high	35 Å²	35	44.8 Å²	44.8	23%	0.227	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-78.1	149.6	-179.3	30.4	-30	0	0	0	110.8	F153 T154 I197 C198 F199	F153-P178 HydrophobicContact CE1-CB 3.89Å; F153-P178 HydrophobicContact CE1-CG 4.03Å; F153-P178 HydrophobicContact CE2-CG 4.03Å; F153-P178 HydrophobicContact CZ-CB 3.84Å; F153-P178 HydrophobicContact CZ-CG 3.58Å; T154-P178 HydrophobicContact CG2-CB 3.74Å; T154-P178 HydrophobicContact CG2-CG 3.89Å; P178-I197 HydrophobicContact CB-CG2 4.39Å; P178-C198 WeakPolarHBondContact CA-O 3.42Å; P178-F199 HydrophobicContact CB-CB 4.37Å
179	Q	97.3	Very high	90.4	Very high	22 Å²	22	47.9 Å²	47.9	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.1	174.3	-55.9	176.4	52.9	0	0	109.2	I197 C198 L236 F241	Q179-I197 CarbonylContact O-C 3.58Å; Q179-I197 VanDerWaalsContact O-CA 3.29Å; Q179-I197 WeakPolarHBondContact O-CA 3.49Å; Q179-C198 PolarHBondContact N-O 2.82Å; Q179-C198 PolarHBondContact O-N 2.84Å; Q179-L236 HydrophobicContact CB-CD2 3.86Å; Q179-F241 PolarHBondContact NE2-O 3.22Å
180	S	98.1	Very high	89.3	Confident	45 Å²	45	47.1 Å²	47.1	32%	0.315	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.4	179.5	64	0	0	0	0	112.9	A196 K238	S180-A196 WeakPolarHBondContact CA-O 3.44Å; S180-A196 WeakPolarHBondContact CB-O 3.17Å; S180-K238 VanDerWaalsContact O-CE 3.27Å; S180-K238 WeakPolarHBondContact O-CE 3.37Å; S180-K238 PolarHBondContact O-NZ 3.48Å
181	V	97.6	Very high	88.7	Confident	33 Å²	33	45.1 Å²	45.1	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.7	175.1	71.3	0	0	0	0	110.2	V195 A196 L236	V181-V195 WeakPolarHBondContact O-CA 3.29Å; V181-A196 HydrophobicContact CG1-CB 4.11Å; V181-A196 PolarHBondContact N-O 2.82Å; V181-A196 PolarHBondContact O-N 2.96Å; V181-L236 HydrophobicContact CB-CD1 4.36Å; V181-L236 HydrophobicContact CB-CD2 4.4Å; V181-L236 HydrophobicContact CB-CG 4.15Å; V181-L236 HydrophobicContact CG1-CD1 3.68Å; V181-L236 HydrophobicContact CG1-CD2 4.45Å; V181-L236 HydrophobicContact CG1-CG 3.69Å
182	G	96.9	Very high	88.6	Confident	31 Å²	31	45.8 Å²	45.8	32%	0.32	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.3	168.9	0	0	0	0	0	110.4	A194	G182-A194 CarbonylContact C-O 3.59Å; G182-A194 WeakPolarHBondContact CA-O 3.26Å
183	V	96.5	Very high	88.6	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.6	176.7	-178.7	0	0	0	0	108.3	H158 T185 G193 A194 V230 N233	H158-V183 PolarHBondContact CD2-O 2.87Å; V183-T185 HydrophobicContact CG1-CG2 4.49Å; V183-G193 CarbonylContact O-C 3.5Å; V183-G193 VanDerWaalsContact O-CA 3.27Å; V183-G193 WeakPolarHBondContact O-CA 3.38Å; V183-A194 PolarHBondContact N-O 3.06Å; V183-A194 PolarHBondContact O-N 2.87Å; V183-V230 HydrophobicContact CB-CG2 4.49Å; V183-V230 HydrophobicContact CG1-CG2 4.27Å; V183-N233 HydrophobicContact CG1-CB 3.79Å; V183-N233 HydrophobicContact CG2-CB 4.01Å
184	T	95.9	Very high	88.9	Confident	50 Å²	50	40.1 Å²	40.1	31%	0.307	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	172.7	-64.2	0	0	0	0	109.7	H158 S186 Q190	H158-T184 PolarHBondContact NE2-OG1 2.84Å; T184-S186 WeakPolarHBondContact CG2-O 3.5Å; T184-Q190 HydrophobicContact CG2-CG 4.32Å
185	T	93.1	Very high	89.1	Confident	20 Å²	20	38.5 Å²	38.5	12%	0.123	26%	0.255	C	S	.	.			trans	-110.3	-10.3	177.9	63.4	0	0	0	0	113.6	V183 K192 G193 D226 Q229 V230	V183-T185 HydrophobicContact CG1-CG2 4.49Å; T185-K192 PolarHBondContact N-O 3.22Å; T185-G193 PolarHBondContact OG1-N 3.34Å; T185-D226 WeakPolarHBondContact CB-OD1 3.21Å; T185-D226 HydrophobicContact CG2-CB 4.33Å; T185-D226 PolarHBondContact OG1-OD1 2.88Å; T185-Q229 VanDerWaalsContact CA-OE1 3.29Å; T185-Q229 HydrophobicContact CG2-CB 3.82Å; T185-V230 HydrophobicContact CG2-CG2 3.83Å
186	S	82.8	Confident	89.2	Confident	20 Å²	20	38.6 Å²	38.6	14%	0.14	26%	0.255	C	S	.	.			trans	-127.6	124.2	176.9	179.9	0	0	0	0	111.2	T184 A188	T184-S186 WeakPolarHBondContact CG2-O 3.5Å; S186-A188 VanDerWaalsContact C-N 3.26Å; S186-A188 PolarHBondContact O-N 2.79Å
187	A	69.4	Low	89.4	Confident	111 Å²	111	38.3 Å²	38.3	92%	0.917	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.2	-174.4	0	0	0	0	0	115
188	A	59.6	Low	89.6	Confident	86 Å²	86	34.8 Å²	34.8	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-30.3	-162.6	0	0	0	0	0	116.5	S186	S186-A188 VanDerWaalsContact C-N 3.26Å; S186-A188 PolarHBondContact O-N 2.79Å
189	V	60.8	Low	89.6	Confident	103 Å²	103	33.1 Å²	33.1	62%	0.624	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-155.8	13.5	-174.4	-158	0	0	0	0	114.8	T191	V189-T191 HydrophobicContact CB-CG2 3.72Å; V189-T191 HydrophobicContact CG1-CG2 3.8Å; V189-T191 PolarHBondContact O-N 2.83Å
190	Q	71.6	Confident	89.6	Confident	101 Å²	101	32.2 Å²	32.2	47%	0.472	22%	0.217	S	C	.	.	S	Bend	trans	49.7	24.4	-170.8	-60.1	-176.6	-15.9	0	0	114	T184	T184-Q190 HydrophobicContact CG2-CG 4.32Å
191	T	82.6	Confident	89.5	Confident	36 Å²	36	30 Å²	30	22%	0.221	20%	0.202	C	C	.	.			trans	-89.9	-5.4	-179.6	50.8	0	0	0	0	113	T160 V189	T160-T191 HydrophobicContact CG2-CG2 3.97Å; V189-T191 HydrophobicContact CB-CG2 3.72Å; V189-T191 HydrophobicContact CG1-CG2 3.8Å; V189-T191 PolarHBondContact O-N 2.83Å
192	K	93.5	Very high	89.4	Confident	23 Å²	23	28.5 Å²	28.5	10%	0.1	19%	0.192	C	C	.	.	S	Bend	trans	-134.8	138.8	-177	-56.9	-70	172	-91.4	0	110.5	T185 H212 F213	T185-K192 PolarHBondContact N-O 3.22Å; K192-H212 WeakPolarHBondContact CA-O 3.27Å; K192-H212 WeakPolarHBondContact CB-O 3.44Å; K192-H212 HydrophobicContact CD-CB 4.42Å; K192-H212 VanDerWaalsContact CD-O 3.27Å; K192-H212 WeakPolarHBondContact CD-O 3.44Å; K192-H212 VanDerWaalsContact CE-CD2 3.47Å; K192-H212 WeakPolarHBondContact CE-CD2 3.25Å; K192-H212 VanDerWaalsContact CE-NE2 3.34Å; K192-H212 WeakPolarHBondContact CE-NE2 3.18Å; K192-H212 PolarHBondContact NZ-CD2 3.36Å; K192-H212 VanDerWaalsContact NZ-CD2 3.3Å; K192-H212 PolarHBondContact NZ-CE1 3.32Å; K192-H212 PolarHBondContact NZ-ND1 3.32Å; K192-H212 PolarHBondContact NZ-NE2 3.46Å; K192-F213 VanDerWaalsContact CD-O 3.27Å; K192-F213 WeakPolarHBondContact CD-O 3.44Å; K192-F213 WeakPolarHBondContact CE-O 3.47Å
193	G	96.4	Very high	89.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.6	-144.2	-173.1	0	0	0	0	0	110.7	V183 T185 S211 H212	V183-G193 CarbonylContact O-C 3.5Å; V183-G193 VanDerWaalsContact O-CA 3.27Å; V183-G193 WeakPolarHBondContact O-CA 3.38Å; T185-G193 PolarHBondContact OG1-N 3.34Å; G193-S211 CarbonylContact O-C 3.52Å; G193-S211 VanDerWaalsContact O-CA 3.27Å; G193-S211 WeakPolarHBondContact O-CA 3.27Å; G193-H212 PolarHBondContact N-O 2.9Å; G193-H212 PolarHBondContact O-N 2.95Å
194	A	98.1	Very high	89.2	Confident	2 Å²	2	27 Å²	27	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	155	-174.6	0	0	0	0	0	113	G182 V183 S210 S211 V230	G182-A194 CarbonylContact C-O 3.59Å; G182-A194 WeakPolarHBondContact CA-O 3.26Å; V183-A194 PolarHBondContact N-O 3.06Å; V183-A194 PolarHBondContact O-N 2.87Å; A194-S210 CarbonylContact C-O 3.54Å; A194-S210 VanDerWaalsContact CA-O 3.25Å; A194-S210 WeakPolarHBondContact CA-O 3.42Å; A194-S211 WeakPolarHBondContact CB-OG 3.28Å; A194-V230 HydrophobicContact CB-CB 4.34Å; A194-V230 HydrophobicContact CB-CG1 3.53Å; A194-V230 HydrophobicContact CB-CG2 3.73Å
195	V	98.2	Very high	89.3	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.5	160.3	62.7	0	0	0	0	108	A156 H158 L161 L163 V181 S210	A156-V195 HydrophobicContact CB-CG2 3.53Å; H158-V195 HydrophobicContact CB-CB 4.05Å; H158-V195 HydrophobicContact CB-CG2 4.39Å; L161-V195 HydrophobicContact CB-CB 4.4Å; L161-V195 HydrophobicContact CB-CG1 3.89Å; L163-V195 HydrophobicContact CB-CG1 3.73Å; V181-V195 WeakPolarHBondContact O-CA 3.29Å; V195-S210 PolarHBondContact N-O 3.31Å; V195-S210 PolarHBondContact O-N 3.06Å
196	A	98.8	Very high	89.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.8	-177.1	0	0	0	0	0	111.4	S180 V181 L207 F208 L209 L236	S180-A196 WeakPolarHBondContact CA-O 3.44Å; S180-A196 WeakPolarHBondContact CB-O 3.17Å; V181-A196 HydrophobicContact CG1-CB 4.11Å; V181-A196 PolarHBondContact N-O 2.82Å; V181-A196 PolarHBondContact O-N 2.96Å; A196-L207 HydrophobicContact CB-CD1 4.1Å; A196-F208 CarbonylContact C-O 3.6Å; A196-F208 WeakPolarHBondContact CA-O 3.39Å; A196-L209 HydrophobicContact CB-CD2 4.29Å; A196-L209 HydrophobicContact CB-CG 4Å; A196-L236 HydrophobicContact CB-CD1 4.03Å
197	I	98.8	Very high	90.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.4	175.6	-65	178.2	0	0	0	108.3	T154 A156 L163 I165 P178 Q179 F199 F208	T154-I197 HydrophobicContact CG2-CD1 4.08Å; T154-I197 HydrophobicContact CG2-CG2 3.77Å; A156-I197 HydrophobicContact CB-CD1 3.71Å; A156-I197 HydrophobicContact CB-CG1 3.73Å; L163-I197 HydrophobicContact CB-CD1 4.26Å; L163-I197 HydrophobicContact CD2-CB 3.95Å; L163-I197 HydrophobicContact CD2-CD1 4.07Å; L163-I197 HydrophobicContact CD2-CG1 3.82Å; L163-I197 HydrophobicContact CG-CD1 3.84Å; L163-I197 HydrophobicContact CG-CG1 4.17Å; L163-I197 WeakPolarHBondContact O-CD1 3.38Å; I165-I197 HydrophobicContact CG1-CD1 4.13Å; I165-I197 HydrophobicContact CG1-CG2 4.12Å; P178-I197 HydrophobicContact CB-CG2 4.39Å; Q179-I197 CarbonylContact O-C 3.58Å; Q179-I197 VanDerWaalsContact O-CA 3.29Å; Q179-I197 WeakPolarHBondContact O-CA 3.49Å; I197-F199 HydrophobicContact CG2-CD1 4.25Å; I197-F208 PolarHBondContact N-O 2.83Å; I197-F208 PolarHBondContact O-N 3.46Å
198	C	98.3	Very high	91.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.9	170.4	72.2	0	0	0	0	112.8	P178 Q179 I206 L207 L236 F256	P178-C198 WeakPolarHBondContact CA-O 3.42Å; Q179-C198 PolarHBondContact N-O 2.82Å; Q179-C198 PolarHBondContact O-N 2.84Å; C198-I206 WeakPolarHBondContact CA-O 3.06Å; C198-I206 WeakPolarHBondContact CB-O 3.29Å; C198-L207 HydrophobicContact CB-CB 4.43Å; C198-L207 HydrophobicContact CB-CD1 3.86Å; C198-L236 HydrophobicContact CB-CD1 4.39Å; C198-F256 HydrophobicContact CB-CD1 4.13Å; C198-F256 HydrophobicContact CB-CE1 3.36Å; C198-F256 HydrophobicContact CB-CZ 3.97Å
199	F	97.8	Very high	93.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	172.4	172.6	53.8	-92.3	0	0	0	109.1	I123 F153 I165 T175 S176 P178 I197 I206 F208 Y245	I123-F199 HydrophobicContact CD1-CE2 4.31Å; I123-F199 HydrophobicContact CD1-CZ 4.32Å; F153-F199 HydrophobicContact CE1-CB 4.32Å; F153-F199 AromaticContact CE1-CD1 3.9Å; F153-F199 HydrophobicContact CE1-CD1 3.9Å; F153-F199 HydrophobicContact CE1-CD2 4.44Å; F153-F199 HydrophobicContact CE1-CE1 4.3Å; F153-F199 AromaticContact CE1-CG 3.97Å; F153-F199 HydrophobicContact CE1-CG 3.97Å; I165-F199 HydrophobicContact CG1-CE1 4.3Å; I165-F199 HydrophobicContact CG2-CE1 3.92Å; I165-F199 HydrophobicContact CG2-CZ 4.11Å; T175-F199 HydrophobicContact CG2-CB 4.29Å; T175-F199 HydrophobicContact CG2-CD2 3.6Å; T175-F199 HydrophobicContact CG2-CE2 4.19Å; T175-F199 HydrophobicContact CG2-CG 4.13Å; S176-F199 WeakPolarHBondContact OG-CA 3.38Å; P178-F199 HydrophobicContact CB-CB 4.37Å; I197-F199 HydrophobicContact CG2-CD1 4.25Å; F199-I206 HydrophobicContact CE2-CD1 4.08Å; F199-I206 PolarHBondContact N-O 2.76Å; F199-I206 VanDerWaalsContact N-O 3.13Å; F199-I206 PolarHBondContact O-N 3.29Å; F199-F208 HydrophobicContact CE1-CD2 4.05Å; F199-F208 AromaticContact CE1-CE2 3.78Å; F199-F208 HydrophobicContact CE1-CE2 3.78Å; F199-F208 HydrophobicContact CZ-CD2 4.45Å; F199-F208 AromaticContact CZ-CE2 3.72Å; F199-F208 HydrophobicContact CZ-CE2 3.72Å; F199-Y245 WeakPolarHBondContact CA-OH 3.19Å
200	I	96.5	Very high	95.4	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.015	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.8	173.3	-56.8	176	0	0	0	107.6	T175 S176 F202 T204 Y245 I390	T175-I200 CarbonylContact C-O 3.53Å; T175-I200 WeakPolarHBondContact CA-O 3.33Å; S176-I200 PolarHBondContact N-O 2.84Å; S176-I200 PolarHBondContact OG-N 3.45Å; I200-F202 VanDerWaalsContact CG2-O 3.29Å; I200-F202 WeakPolarHBondContact CG2-O 3.43Å; I200-T204 WeakPolarHBondContact CA-O 3.5Å; I200-Y245 HydrophobicContact CD1-CD1 4.37Å; I200-Y245 HydrophobicContact CD1-CD2 3.96Å; I200-Y245 HydrophobicContact CD1-CE1 4.12Å; I200-Y245 HydrophobicContact CD1-CE2 3.7Å; I200-Y245 HydrophobicContact CD1-CG 4.3Å; I200-Y245 HydrophobicContact CG1-CD1 4.37Å; I200-Y245 HydrophobicContact CG1-CE1 3.74Å; I200-Y245 HydrophobicContact CG1-CE2 4.03Å; I200-I390 HydrophobicContact CB-CD1 4.05Å; I200-I390 HydrophobicContact CD1-CG2 4Å; I200-I390 HydrophobicContact CG2-CD1 3.93Å
201	L	96.7	Very high	96.6	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.9	168.6	173	59.7	0	0	0	108.3	I87 I123 L171 T175 G203 T204 I206 L383	I87-L201 HydrophobicContact CD1-CD2 3.55Å; I123-L201 HydrophobicContact CD1-CD2 4.06Å; L171-L201 HydrophobicContact CB-CD1 4.31Å; L171-L201 HydrophobicContact CD1-CD2 4.36Å; T175-L201 WeakPolarHBondContact OG1-CD1 3.44Å; L201-G203 PolarHBondContact O-N 2.9Å; L201-T204 PolarHBondContact N-O 2.91Å; L201-T204 PolarHBondContact O-N 3.39Å; L201-I206 HydrophobicContact CB-CD1 4.42Å; L201-L383 HydrophobicContact CD2-CD1 3.94Å; L201-L383 HydrophobicContact CD2-CD2 4.06Å; L201-L383 HydrophobicContact CG-CD1 4.16Å; L201-L383 HydrophobicContact CG-CD2 4.31Å
202	F	94.5	Very high	97.4	Very high	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-105.9	-164.8	-72.9	-89	0	0	0	111	L73 L78 I81 I82 Y174 I200 L383 R384	L73-F202 HydrophobicContact CB-CD1 4.36Å; L73-F202 HydrophobicContact CD2-CD1 4.21Å; L78-F202 HydrophobicContact CB-CD1 4.12Å; L78-F202 HydrophobicContact CB-CE1 4.11Å; L78-F202 HydrophobicContact CD1-CD1 4.3Å; L78-F202 HydrophobicContact CD1-CD2 3.85Å; L78-F202 HydrophobicContact CD1-CE1 4.36Å; L78-F202 HydrophobicContact CD1-CE2 3.9Å; L78-F202 HydrophobicContact CD1-CG 4.06Å; L78-F202 HydrophobicContact CD1-CZ 4.15Å; I81-F202 HydrophobicContact CB-CZ 4.48Å; I82-F202 HydrophobicContact CD1-CE2 4.17Å; Y174-F202 HydrophobicContact CD1-CD1 4.34Å; Y174-F202 AromaticContact CD1-CE1 3.49Å; Y174-F202 HydrophobicContact CD1-CE1 3.49Å; Y174-F202 VanDerWaalsContact CD1-CE1 3.49Å; Y174-F202 HydrophobicContact CD1-CE2 4.31Å; Y174-F202 AromaticContact CD1-CZ 3.47Å; Y174-F202 HydrophobicContact CD1-CZ 3.47Å; Y174-F202 VanDerWaalsContact CD1-CZ 3.47Å; Y174-F202 HydrophobicContact CD2-CE2 4.05Å; Y174-F202 AromaticContact CD2-CZ 3.77Å; Y174-F202 HydrophobicContact CD2-CZ 3.77Å; Y174-F202 HydrophobicContact CE1-CE1 4.16Å; Y174-F202 HydrophobicContact CE1-CZ 4.07Å; Y174-F202 HydrophobicContact CE2-CZ 4.33Å; Y174-F202 HydrophobicContact CG-CD1 4.49Å; Y174-F202 HydrophobicContact CG-CD2 4.44Å; Y174-F202 AromaticContact CG-CE1 3.75Å; Y174-F202 HydrophobicContact CG-CE1 3.75Å; Y174-F202 AromaticContact CG-CE2 3.7Å; Y174-F202 HydrophobicContact CG-CE2 3.7Å; Y174-F202 AromaticContact CG-CZ 3.3Å; Y174-F202 HydrophobicContact CG-CZ 3.3Å; Y174-F202 PolarHBondContact O-N 3.01Å; I200-F202 VanDerWaalsContact CG2-O 3.29Å; I200-F202 WeakPolarHBondContact CG2-O 3.43Å; F202-L383 HydrophobicContact CD2-CD1 4.16Å; F202-R384 WeakPolarHBondContact CB-O 3.45Å
203	G	93.7	Very high	97.6	Very high	4 Å²	4	1 Å²	1	4%	0.041	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-5.9	173.5	0	0	0	0	0	113.9	L201 R384	L201-G203 PolarHBondContact O-N 2.9Å; G203-R384 VanDerWaalsContact CA-O 3.29Å; G203-R384 WeakPolarHBondContact CA-O 3.36Å; G203-R384 PolarHBondContact N-O 2.93Å; G203-R384 PolarHBondContact O-NE 3.4Å; G203-R384 PolarHBondContact O-NH2 3.06Å
204	T	96.7	Very high	97.5	Very high	4 Å²	4	3.6 Å²	3.6	3%	0.025	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.2	-175.1	-59.3	0	0	0	0	110.9	I200 L201 I206 D257 V258 L381 L383 R384	I200-T204 WeakPolarHBondContact CA-O 3.5Å; L201-T204 PolarHBondContact N-O 2.91Å; L201-T204 PolarHBondContact O-N 3.39Å; T204-I206 HydrophobicContact CG2-CG1 4.11Å; T204-D257 HydrophobicContact CG2-CB 4.1Å; T204-V258 HydrophobicContact CG2-CG2 4.32Å; T204-L381 HydrophobicContact CG2-CD2 4.17Å; T204-L383 HydrophobicContact CG2-CD2 4.48Å; T204-L383 WeakPolarHBondContact OG1-CA 3.37Å; T204-R384 PolarHBondContact OG1-N 3.06Å
205	S	97	Very high	97.3	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.007	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.1	174.5	55	0	0	0	0	111.3	F256 D257 V258	S205-F256 WeakPolarHBondContact OG-CA 3.21Å; S205-D257 PolarHBondContact N-OD2 3.38Å; S205-D257 WeakPolarHBondContact O-CB 3.4Å; S205-D257 PolarHBondContact O-N 3.04Å; S205-D257 VanDerWaalsContact O-N 3.07Å; S205-D257 PolarHBondContact OG-N 3.41Å; S205-D257 PolarHBondContact OG-OD2 3.16Å; S205-V258 PolarHBondContact O-N 3.38Å; S205-V258 VanDerWaalsContact O-N 3.09Å
206	I	98.6	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.4	-175	-52.4	165	0	0	0	109.5	I89 I123 C198 F199 L201 T204 F208 V258 F260 L381	I89-I206 HydrophobicContact CD1-CD1 4.24Å; I123-I206 HydrophobicContact CD1-CD1 4.41Å; C198-I206 WeakPolarHBondContact CA-O 3.06Å; C198-I206 WeakPolarHBondContact CB-O 3.29Å; F199-I206 HydrophobicContact CE2-CD1 4.08Å; F199-I206 PolarHBondContact N-O 2.76Å; F199-I206 VanDerWaalsContact N-O 3.13Å; F199-I206 PolarHBondContact O-N 3.29Å; L201-I206 HydrophobicContact CB-CD1 4.42Å; T204-I206 HydrophobicContact CG2-CG1 4.11Å; I206-F208 HydrophobicContact CB-CE2 4.29Å; I206-F208 HydrophobicContact CG2-CD2 3.96Å; I206-F208 HydrophobicContact CG2-CE1 4.46Å; I206-F208 HydrophobicContact CG2-CE2 3.34Å; I206-F208 HydrophobicContact CG2-CZ 3.64Å; I206-V258 WeakPolarHBondContact CA-O 3.31Å; I206-F260 HydrophobicContact CG2-CD2 3.99Å; I206-F260 HydrophobicContact CG2-CE2 3.89Å; I206-L381 HydrophobicContact CD1-CD2 3.99Å; I206-L381 HydrophobicContact CG1-CD2 4.31Å
207	L	98.7	Very high	96.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.5	172.5	176.4	68	0	0	0	109.8	A196 C198 L209 L236 L253 F256 V258 V259 F260	A196-L207 HydrophobicContact CB-CD1 4.1Å; C198-L207 HydrophobicContact CB-CB 4.43Å; C198-L207 HydrophobicContact CB-CD1 3.86Å; L207-L209 HydrophobicContact CD2-CD1 3.74Å; L207-L209 HydrophobicContact CD2-CG 4.44Å; L207-L209 HydrophobicContact CG-CD1 3.73Å; L207-L209 HydrophobicContact CG-CG 4.33Å; L207-L236 HydrophobicContact CD1-CD1 3.95Å; L207-L253 HydrophobicContact CD2-CD2 3.89Å; L207-F256 HydrophobicContact CB-CB 4.24Å; L207-F256 HydrophobicContact CB-CD1 3.84Å; L207-F256 HydrophobicContact CB-CD2 3.91Å; L207-F256 HydrophobicContact CB-CE1 4.19Å; L207-F256 HydrophobicContact CB-CE2 4.26Å; L207-F256 HydrophobicContact CB-CG 3.7Å; L207-F256 HydrophobicContact CB-CZ 4.38Å; L207-F256 HydrophobicContact CD1-CE2 4.36Å; L207-F256 HydrophobicContact CD1-CZ 4.2Å; L207-F256 HydrophobicContact CD2-CD2 3.71Å; L207-F256 HydrophobicContact CD2-CE2 3.7Å; L207-F256 HydrophobicContact CD2-CG 4.38Å; L207-F256 HydrophobicContact CD2-CZ 4.34Å; L207-F256 HydrophobicContact CG-CD2 4.34Å; L207-F256 HydrophobicContact CG-CE2 4.33Å; L207-V258 PolarHBondContact N-O 3.04Å; L207-V259 HydrophobicContact CB-CG1 4.29Å; L207-V259 HydrophobicContact CB-CG2 4.16Å; L207-V259 HydrophobicContact CD2-CG1 3.87Å; L207-V259 HydrophobicContact CD2-CG2 4.15Å; L207-V259 HydrophobicContact CG-CG1 4.19Å; L207-V259 CarbonylContact O-C 3.57Å; L207-V259 WeakPolarHBondContact O-CA 3.49Å; L207-F260 PolarHBondContact O-N 2.91Å
208	F	98.9	Very high	95.9	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.3	170.2	-64.8	-86.5	0	0	0	109.5	I89 V91 I123 A125 L163 I165 A196 I197 F199 I206 F260	I89-F208 HydrophobicContact CG2-CE1 3.9Å; I89-F208 HydrophobicContact CG2-CZ 3.92Å; V91-F208 HydrophobicContact CG2-CD1 4.32Å; V91-F208 HydrophobicContact CG2-CE1 4.03Å; I123-F208 HydrophobicContact CG2-CZ 4.24Å; A125-F208 HydrophobicContact CB-CD1 3.38Å; A125-F208 HydrophobicContact CB-CE1 3.56Å; A125-F208 HydrophobicContact CB-CG 4.04Å; A125-F208 HydrophobicContact CB-CZ 4.34Å; L163-F208 HydrophobicContact CD1-CB 4.32Å; L163-F208 HydrophobicContact CD2-CB 3.85Å; L163-F208 WeakPolarHBondContact CD2-O 3.43Å; I165-F208 HydrophobicContact CD1-CB 4.23Å; I165-F208 HydrophobicContact CD1-CD2 3.74Å; I165-F208 HydrophobicContact CD1-CE2 4.19Å; I165-F208 HydrophobicContact CD1-CG 3.91Å; A196-F208 CarbonylContact C-O 3.6Å; A196-F208 WeakPolarHBondContact CA-O 3.39Å; I197-F208 PolarHBondContact N-O 2.83Å; I197-F208 PolarHBondContact O-N 3.46Å; F199-F208 HydrophobicContact CE1-CD2 4.05Å; F199-F208 AromaticContact CE1-CE2 3.78Å; F199-F208 HydrophobicContact CE1-CE2 3.78Å; F199-F208 HydrophobicContact CZ-CD2 4.45Å; F199-F208 AromaticContact CZ-CE2 3.72Å; F199-F208 HydrophobicContact CZ-CE2 3.72Å; I206-F208 HydrophobicContact CB-CE2 4.29Å; I206-F208 HydrophobicContact CG2-CD2 3.96Å; I206-F208 HydrophobicContact CG2-CE1 4.46Å; I206-F208 HydrophobicContact CG2-CE2 3.34Å; I206-F208 HydrophobicContact CG2-CZ 3.64Å; F208-F260 CarbonylContact C-O 3.57Å; F208-F260 WeakPolarHBondContact CA-O 3.47Å; F208-F260 HydrophobicContact CD1-CB 3.71Å; F208-F260 AromaticContact CD1-CD2 3.69Å; F208-F260 HydrophobicContact CD1-CD2 3.69Å; F208-F260 AromaticContact CD1-CG 3.99Å; F208-F260 HydrophobicContact CD1-CG 3.99Å; F208-F260 HydrophobicContact CE1-CB 4.07Å; F208-F260 AromaticContact CE1-CD2 3.25Å; F208-F260 HydrophobicContact CE1-CD2 3.25Å; F208-F260 AromaticContact CE1-CE2 3.82Å; F208-F260 HydrophobicContact CE1-CE2 3.82Å; F208-F260 AromaticContact CE1-CG 3.82Å; F208-F260 HydrophobicContact CE1-CG 3.82Å; F208-F260 AromaticContact CZ-CD2 3.78Å; F208-F260 HydrophobicContact CZ-CD2 3.78Å; F208-F260 HydrophobicContact CZ-CE2 4Å
209	L	98.8	Very high	95.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.6	172.5	-55.5	95.3	0	0	0	110.9	A196 L207 V230 I234 V259 F260 W261 A262	A196-L209 HydrophobicContact CB-CD2 4.29Å; A196-L209 HydrophobicContact CB-CG 4Å; L207-L209 HydrophobicContact CD2-CD1 3.74Å; L207-L209 HydrophobicContact CD2-CG 4.44Å; L207-L209 HydrophobicContact CG-CD1 3.73Å; L207-L209 HydrophobicContact CG-CG 4.33Å; L209-V230 HydrophobicContact CD2-CG1 4.19Å; L209-I234 HydrophobicContact CD2-CD1 3.28Å; L209-I234 HydrophobicContact CD2-CG1 4.14Å; L209-V259 HydrophobicContact CD1-CG1 3.45Å; L209-V259 VanDerWaalsContact CD1-CG1 3.45Å; L209-F260 WeakPolarHBondContact CD1-O 3.22Å; L209-F260 PolarHBondContact N-O 3.38Å; L209-W261 HydrophobicContact CB-CD2 4.1Å; L209-W261 HydrophobicContact CB-CE3 4.5Å; L209-W261 HydrophobicContact CB-CG 4.13Å; L209-W261 HydrophobicContact CD1-CB 4.4Å; L209-W261 HydrophobicContact CD1-CD2 4.2Å; L209-W261 HydrophobicContact CD1-CE3 3.86Å; L209-W261 HydrophobicContact CD1-CG 4.47Å; L209-W261 HydrophobicContact CD2-CD2 3.95Å; L209-W261 HydrophobicContact CD2-CE3 3.65Å; L209-W261 HydrophobicContact CD2-CH2 3.97Å; L209-W261 HydrophobicContact CD2-CZ2 4.21Å; L209-W261 HydrophobicContact CD2-CZ3 3.66Å; L209-W261 HydrophobicContact CG-CD2 4.34Å; L209-W261 HydrophobicContact CG-CE3 4.24Å; L209-A262 PolarHBondContact O-N 2.93Å
210	S	98.6	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.9	167.4	176.1	0	0	0	0	108.4	C127 Q129 A162 A194 V195 A262	C127-S210 WeakPolarHBondContact CB-OG 3.38Å; Q129-S210 PolarHBondContact NE2-OG 2.76Å; Q129-S210 VanDerWaalsContact NE2-OG 3.09Å; A162-S210 PolarHBondContact O-OG 3.43Å; A194-S210 CarbonylContact C-O 3.54Å; A194-S210 VanDerWaalsContact CA-O 3.25Å; A194-S210 WeakPolarHBondContact CA-O 3.42Å; V195-S210 PolarHBondContact N-O 3.31Å; V195-S210 PolarHBondContact O-N 3.06Å; S210-A262 CarbonylContact C-O 3.53Å; S210-A262 VanDerWaalsContact CA-O 3.24Å; S210-A262 WeakPolarHBondContact CA-O 3.36Å
211	S	98.4	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.5	-176.6	-63.7	0	0	0	0	113.7	Q129 G193 A194 W261 A262 G263 D264	Q129-S211 VanDerWaalsContact CG-O 3.23Å; Q129-S211 WeakPolarHBondContact CG-O 3.21Å; G193-S211 CarbonylContact O-C 3.52Å; G193-S211 VanDerWaalsContact O-CA 3.27Å; G193-S211 WeakPolarHBondContact O-CA 3.27Å; A194-S211 WeakPolarHBondContact CB-OG 3.28Å; S211-W261 PolarHBondContact OG-NE1 3.38Å; S211-A262 PolarHBondContact N-O 2.94Å; S211-G263 CarbonylContact O-C 3.52Å; S211-G263 WeakPolarHBondContact O-CA 3.28Å; S211-D264 PolarHBondContact O-N 3.12Å; S211-D264 VanDerWaalsContact O-N 3.12Å
212	H	97.9	Very high	95.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	108.2	166.1	-171.1	164.4	0	0	0	108.2	Q129 E130 L161 K192 G193 D264 N266	Q129-H212 HydrophobicContact CB-CB 4.22Å; Q129-H212 HydrophobicContact CG-CB 3.85Å; E130-H212 IonicContact OE1-CE1 3.94Å; E130-H212 PolarHBondContact OE1-CE1 3.44Å; L161-H212 HydrophobicContact CD2-CB 3.69Å; K192-H212 WeakPolarHBondContact CA-O 3.27Å; K192-H212 WeakPolarHBondContact CB-O 3.44Å; K192-H212 HydrophobicContact CD-CB 4.42Å; K192-H212 VanDerWaalsContact CD-O 3.27Å; K192-H212 WeakPolarHBondContact CD-O 3.44Å; K192-H212 VanDerWaalsContact CE-CD2 3.47Å; K192-H212 WeakPolarHBondContact CE-CD2 3.25Å; K192-H212 VanDerWaalsContact CE-NE2 3.34Å; K192-H212 WeakPolarHBondContact CE-NE2 3.18Å; K192-H212 PolarHBondContact NZ-CD2 3.36Å; K192-H212 VanDerWaalsContact NZ-CD2 3.3Å; K192-H212 PolarHBondContact NZ-CE1 3.32Å; K192-H212 PolarHBondContact NZ-ND1 3.32Å; K192-H212 PolarHBondContact NZ-NE2 3.46Å; G193-H212 PolarHBondContact N-O 2.9Å; G193-H212 PolarHBondContact O-N 2.95Å; H212-D264 WeakPolarHBondContact CA-O 3.2Å; H212-D264 IonicContact CD2-OD2 2.65Å; H212-D264 IonicContact CE1-OD2 2.62Å; H212-D264 IonicContact NE2-OD2 2.73Å; H212-D264 PolarHBondContact NE2-OD2 3.31Å; H212-N266 PolarHBondContact CD2-ND2 3.49Å; H212-N266 VanDerWaalsContact CD2-ND2 3.32Å; H212-N266 PolarHBondContact NE2-ND2 2.89Å
213	F	97.4	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-95	170.9	-177.3	-66.5	-11.1	0	0	0	112.9	K192 A215 R223 D226 V230 W261 D264 L265 N266 F267 F308	K192-F213 VanDerWaalsContact CD-O 3.27Å; K192-F213 WeakPolarHBondContact CD-O 3.44Å; K192-F213 WeakPolarHBondContact CE-O 3.47Å; F213-A215 PolarHBondContact O-N 2.97Å; F213-A215 VanDerWaalsContact O-N 3.14Å; F213-R223 HydrophobicContact CB-CG 4.14Å; F213-D226 WeakPolarHBondContact CA-OD2 3.11Å; F213-D226 HydrophobicContact CB-CB 4.22Å; F213-D226 HydrophobicContact CD1-CB 3.61Å; F213-D226 HydrophobicContact CD2-CB 4.43Å; F213-D226 HydrophobicContact CE1-CB 4.01Å; F213-D226 HydrophobicContact CG-CB 3.86Å; F213-V230 HydrophobicContact CE1-CG2 4.29Å; F213-W261 HydrophobicContact CE1-CZ2 4.41Å; F213-W261 AromaticContact CZ-CZ2 3.87Å; F213-W261 HydrophobicContact CZ-CZ2 3.87Å; F213-D264 PolarHBondContact N-O 3Å; F213-L265 WeakPolarHBondContact CB-O 3.42Å; F213-L265 HydrophobicContact CD2-CB 4.04Å; F213-L265 HydrophobicContact CD2-CD2 4.01Å; F213-L265 HydrophobicContact CE2-CB 4.45Å; F213-L265 HydrophobicContact CE2-CD2 3.85Å; F213-L265 HydrophobicContact CG-CD2 4.45Å; F213-L265 HydrophobicContact CZ-CD2 4.14Å; F213-N266 PolarHBondContact O-ND2 3.41Å; F213-F267 HydrophobicContact CD2-CE2 4.11Å; F213-F267 HydrophobicContact CE2-CE2 4.37Å; F213-F308 HydrophobicContact CE2-CE2 4.47Å; F213-F308 HydrophobicContact CE2-CZ 4.43Å
214	K	95.4	Very high	96	Very high	53 Å²	53	34.1 Å²	34.1	23%	0.23	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-56.4	118.2	-173.8	-162	73.9	171.8	-175	0	111.4	N219 R222 R223 D226	K214-N219 HydrophobicContact CB-CB 4.34Å; K214-N219 HydrophobicContact CG-CB 3.82Å; K214-R222 HydrophobicContact CB-CB 3.88Å; K214-R222 HydrophobicContact CG-CB 3.84Å; K214-R223 HydrophobicContact CB-CG 4.32Å; K214-R223 VanDerWaalsContact O-CG 3.3Å; K214-R223 WeakPolarHBondContact O-CG 3.5Å; K214-R223 PolarHBondContact O-NH1 3.16Å; K214-R223 VanDerWaalsContact O-NH1 3.13Å; K214-D226 WeakPolarHBondContact CB-OD2 3.42Å; K214-D226 PolarHBondContact N-OD2 2.77Å
215	A	92.9	Very high	96.1	Very high	40 Å²	40	38.6 Å²	38.6	33%	0.331	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-69.3	172.3	175.8	0	0	0	0	0	112.7	F213 N219	F213-A215 PolarHBondContact O-N 2.97Å; F213-A215 VanDerWaalsContact O-N 3.14Å; A215-N219 PolarHBondContact O-ND2 3.19Å
216	N	87.8	Confident	96.1	Very high	54 Å²	54	38.9 Å²	38.9	29%	0.289	20%	0.195	S	C	.	.	S	Bend	trans	75.1	137.5	-176.1	-160.5	7.2	0	0	0	114.3	T218 N219 R223 R338	N216-T218 VanDerWaalsContact C-N 3.31Å; N216-T218 PolarHBondContact O-N 3.16Å; N216-N219 PolarHBondContact O-N 3.02Å; N216-R223 PolarHBondContact O-NH1 2.84Å; N216-R338 PolarHBondContact OD1-NH1 2.81Å
217	H	86.5	Confident	96.1	Very high	113 Å²	113	39.9 Å²	39.9	52%	0.523	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-36.3	-174.7	67.9	-63.6	0	0	0	114	N219 R223 R268	H217-N219 PolarHBondContact O-N 3.18Å; H217-N219 VanDerWaalsContact O-N 3.11Å; H217-R223 PolarHBondContact O-NH2 3.42Å; H217-R223 VanDerWaalsContact O-NH2 3.09Å; H217-R268 HydrophobicContact CB-CB 4.44Å; H217-R268 HydrophobicContact CB-CG 3.99Å
218	T	92.9	Very high	96	Very high	98 Å²	98	42.8 Å²	42.8	60%	0.601	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-7	-179.6	63.2	0	0	0	0	115.2	N216	N216-T218 VanDerWaalsContact C-N 3.31Å; N216-T218 PolarHBondContact O-N 3.16Å
219	N	94.9	Very high	95.9	Very high	29 Å²	29	46.3 Å²	46.3	16%	0.155	23%	0.231	C	C	.	.			trans	-99.2	34	-172.8	-75.2	-49.1	0	0	0	113.5	K214 A215 N216 H217 D221 R222 R223	K214-N219 HydrophobicContact CB-CB 4.34Å; K214-N219 HydrophobicContact CG-CB 3.82Å; A215-N219 PolarHBondContact O-ND2 3.19Å; N216-N219 PolarHBondContact O-N 3.02Å; H217-N219 PolarHBondContact O-N 3.18Å; H217-N219 VanDerWaalsContact O-N 3.11Å; N219-D221 PolarHBondContact O-N 2.91Å; N219-R222 HydrophobicContact CB-CB 4.22Å; N219-R222 PolarHBondContact O-N 2.95Å; N219-R222 VanDerWaalsContact O-N 3.16Å; N219-R222 PolarHBondContact OD1-NH1 3.01Å; N219-R223 PolarHBondContact O-N 2.92Å; N219-R223 VanDerWaalsContact O-N 3.08Å; N219-R223 PolarHBondContact O-NH1 3.01Å
220	F	97	Very high	95.8	Very high	46 Å²	46	46.2 Å²	46.2	20%	0.202	23%	0.23	C	C	.	.	H	α-helix	trans	-53.4	-52.7	179.5	172.7	-98.1	0	0	0	112.1	R222 R223 V224 F267 E297 A301	F220-R222 PolarHBondContact O-N 3.17Å; F220-R223 WeakPolarHBondContact O-CB 3.46Å; F220-R223 PolarHBondContact O-N 2.95Å; F220-V224 HydrophobicContact CD1-CG2 4.42Å; F220-V224 HydrophobicContact CE1-CG2 3.9Å; F220-V224 HydrophobicContact CE2-CG2 4.27Å; F220-V224 HydrophobicContact CZ-CG2 3.81Å; F220-V224 PolarHBondContact O-N 3.09Å; F220-V224 VanDerWaalsContact O-N 3.08Å; F220-F267 HydrophobicContact CD2-CD1 4.35Å; F220-F267 HydrophobicContact CD2-CE1 4.23Å; F220-F267 HydrophobicContact CE2-CD1 4.39Å; F220-F267 HydrophobicContact CE2-CE1 4.1Å; F220-E297 HydrophobicContact CD2-CB 4.01Å; F220-E297 HydrophobicContact CD2-CG 4.04Å; F220-E297 HydrophobicContact CE2-CB 4.13Å; F220-E297 HydrophobicContact CE2-CG 4.5Å; F220-A301 HydrophobicContact CE2-CB 3.92Å; F220-A301 HydrophobicContact CZ-CB 3.8Å
221	D	97	Very high	95.7	Very high	120 Å²	120	46.8 Å²	46.8	64%	0.642	23%	0.234	S	C	*	.	H	α-helix	trans	-59.5	-34.9	-179.4	-59.4	-37.4	0	0	0	112.1	N219 V224 Q225	N219-D221 PolarHBondContact O-N 2.91Å; D221-V224 WeakPolarHBondContact O-CB 3.4Å; D221-V224 PolarHBondContact O-N 2.84Å; D221-Q225 VanDerWaalsContact O-CG 3.31Å; D221-Q225 WeakPolarHBondContact O-CG 3.35Å; D221-Q225 PolarHBondContact O-N 2.85Å
222	R	96.4	Very high	95.6	Very high	140 Å²	140	52.5 Å²	52.5	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-70.1	-33.4	176.8	-68.2	-171.7	173.8	164.7	-7.9	112.6	K214 N219 F220 Q225 D226	K214-R222 HydrophobicContact CB-CB 3.88Å; K214-R222 HydrophobicContact CG-CB 3.84Å; N219-R222 HydrophobicContact CB-CB 4.22Å; N219-R222 PolarHBondContact O-N 2.95Å; N219-R222 VanDerWaalsContact O-N 3.16Å; N219-R222 PolarHBondContact OD1-NH1 3.01Å; F220-R222 PolarHBondContact O-N 3.17Å; R222-Q225 PolarHBondContact O-N 2.86Å; R222-D226 VanDerWaalsContact O-CG 3.24Å; R222-D226 PolarHBondContact O-N 2.97Å
223	R	97.4	Very high	95.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-38.8	172.4	-69.5	-175.5	-79	-76.6	5.7	111.4	F213 K214 N216 H217 N219 F220 D226 Y227 L265 N266 F267 E297	F213-R223 HydrophobicContact CB-CG 4.14Å; K214-R223 HydrophobicContact CB-CG 4.32Å; K214-R223 VanDerWaalsContact O-CG 3.3Å; K214-R223 WeakPolarHBondContact O-CG 3.5Å; K214-R223 PolarHBondContact O-NH1 3.16Å; K214-R223 VanDerWaalsContact O-NH1 3.13Å; N216-R223 PolarHBondContact O-NH1 2.84Å; H217-R223 PolarHBondContact O-NH2 3.42Å; H217-R223 VanDerWaalsContact O-NH2 3.09Å; N219-R223 PolarHBondContact O-N 2.92Å; N219-R223 VanDerWaalsContact O-N 3.08Å; N219-R223 PolarHBondContact O-NH1 3.01Å; F220-R223 WeakPolarHBondContact O-CB 3.46Å; F220-R223 PolarHBondContact O-N 2.95Å; R223-D226 PolarHBondContact O-N 2.91Å; R223-Y227 PolarHBondContact O-N 2.84Å; R223-L265 VanDerWaalsContact CD-O 3.22Å; R223-L265 WeakPolarHBondContact CD-O 3.34Å; R223-N266 VanDerWaalsContact CD-C 3.41Å; R223-N266 WeakPolarHBondContact CD-O 3.32Å; R223-N266 PolarHBondContact NE-O 2.95Å; R223-F267 HydrophobicContact CB-CD1 4.44Å; R223-F267 HydrophobicContact CB-CE1 3.78Å; R223-F267 HydrophobicContact CB-CE2 4.43Å; R223-F267 HydrophobicContact CB-CZ 3.76Å; R223-E297 IonicContact CZ-OE2 3.37Å; R223-E297 IonicContact NE-OE2 3.89Å; R223-E297 IonicContact NH2-OE1 3.5Å; R223-E297 PolarHBondContact NH2-OE1 2.88Å; R223-E297 IonicContact NH2-OE2 3.39Å; R223-E297 PolarHBondContact NH2-OE2 3.4Å
224	V	97.8	Very high	95.3	Very high	13 Å²	13	57 Å²	57	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-45.1	172	173.6	0	0	0	0	110.6	F220 D221 Y227 L228 I306 I307	F220-V224 HydrophobicContact CD1-CG2 4.42Å; F220-V224 HydrophobicContact CE1-CG2 3.9Å; F220-V224 HydrophobicContact CE2-CG2 4.27Å; F220-V224 HydrophobicContact CZ-CG2 3.81Å; F220-V224 PolarHBondContact O-N 3.09Å; F220-V224 VanDerWaalsContact O-N 3.08Å; D221-V224 WeakPolarHBondContact O-CB 3.4Å; D221-V224 PolarHBondContact O-N 2.84Å; V224-Y227 WeakPolarHBondContact O-CB 3.39Å; V224-Y227 PolarHBondContact O-N 2.94Å; V224-L228 HydrophobicContact CG1-CD1 4.21Å; V224-L228 WeakPolarHBondContact O-CG 3.42Å; V224-L228 PolarHBondContact O-N 2.95Å; V224-I306 HydrophobicContact CG1-CG2 3.73Å; V224-I306 HydrophobicContact CG2-CG2 4.3Å; V224-I307 HydrophobicContact CB-CG2 4.38Å; V224-I307 HydrophobicContact CG1-CG2 3.88Å; V224-I307 HydrophobicContact CG2-CG2 4.3Å
225	Q	97	Very high	95.2	Very high	99 Å²	99	58.6 Å²	58.6	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-39.8	175.7	-68.5	-57.8	-45.6	0	0	112.9	D221 R222 Y227 L228 Q229	D221-Q225 VanDerWaalsContact O-CG 3.31Å; D221-Q225 WeakPolarHBondContact O-CG 3.35Å; D221-Q225 PolarHBondContact O-N 2.85Å; R222-Q225 PolarHBondContact O-N 2.86Å; Q225-Y227 VanDerWaalsContact C-N 3.33Å; Q225-Y227 PolarHBondContact O-N 2.7Å; Q225-L228 PolarHBondContact O-N 2.63Å; Q225-Q229 WeakPolarHBondContact O-CB 3.29Å; Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.38Å; Q225-Q229 PolarHBondContact O-N 2.88Å
226	D	97.5	Very high	95.3	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.8	-72.9	-30	0	0	0	110.8	T185 F213 K214 R222 R223 Q229 V230	T185-D226 WeakPolarHBondContact CB-OD1 3.21Å; T185-D226 HydrophobicContact CG2-CB 4.33Å; T185-D226 PolarHBondContact OG1-OD1 2.88Å; F213-D226 WeakPolarHBondContact CA-OD2 3.11Å; F213-D226 HydrophobicContact CB-CB 4.22Å; F213-D226 HydrophobicContact CD1-CB 3.61Å; F213-D226 HydrophobicContact CD2-CB 4.43Å; F213-D226 HydrophobicContact CE1-CB 4.01Å; F213-D226 HydrophobicContact CG-CB 3.86Å; K214-D226 WeakPolarHBondContact CB-OD2 3.42Å; K214-D226 PolarHBondContact N-OD2 2.77Å; R222-D226 VanDerWaalsContact O-CG 3.24Å; R222-D226 PolarHBondContact O-N 2.97Å; R223-D226 PolarHBondContact O-N 2.91Å; D226-Q229 PolarHBondContact O-N 3.12Å; D226-V230 VanDerWaalsContact O-CG2 3.29Å; D226-V230 WeakPolarHBondContact O-CG2 3.2Å; D226-V230 PolarHBondContact O-N 3.34Å
227	Y	98.1	Very high	95.6	Very high	21 Å²	21	54.1 Å²	54.1	8%	0.082	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-53.4	175	167.6	-99.2	0	0	0	111.8	R223 V224 Q225 Q229 V230 V231 W261 I307 F308	R223-Y227 PolarHBondContact O-N 2.84Å; V224-Y227 WeakPolarHBondContact O-CB 3.39Å; V224-Y227 PolarHBondContact O-N 2.94Å; Q225-Y227 VanDerWaalsContact C-N 3.33Å; Q225-Y227 PolarHBondContact O-N 2.7Å; Y227-Q229 VanDerWaalsContact C-N 3.33Å; Y227-Q229 PolarHBondContact O-N 2.74Å; Y227-V230 PolarHBondContact O-N 3.08Å; Y227-V230 VanDerWaalsContact O-N 3.15Å; Y227-V231 HydrophobicContact CD2-CG2 4.15Å; Y227-V231 HydrophobicContact CE1-CG2 4.13Å; Y227-V231 HydrophobicContact CE2-CG2 3.69Å; Y227-V231 WeakPolarHBondContact O-CG2 3.47Å; Y227-V231 PolarHBondContact O-N 3.16Å; Y227-W261 AromaticContact CD2-CH2 3.97Å; Y227-W261 HydrophobicContact CD2-CH2 3.97Å; Y227-W261 HydrophobicContact CD2-CZ2 4.24Å; Y227-W261 HydrophobicContact CD2-CZ3 4.44Å; Y227-W261 HydrophobicContact CE2-CH2 4.15Å; Y227-W261 HydrophobicContact CE2-CZ3 4.18Å; Y227-I307 HydrophobicContact CD1-CB 3.62Å; Y227-I307 HydrophobicContact CD1-CG2 3.28Å; Y227-I307 HydrophobicContact CE1-CB 3.74Å; Y227-I307 HydrophobicContact CE1-CG2 3.79Å; Y227-I307 HydrophobicContact CG-CB 4.07Å; Y227-I307 HydrophobicContact CG-CG2 3.89Å; Y227-F308 HydrophobicContact CD2-CD1 4.19Å; Y227-F308 AromaticContact CD2-CD2 3.96Å; Y227-F308 HydrophobicContact CD2-CD2 3.96Å; Y227-F308 AromaticContact CD2-CE1 3.74Å; Y227-F308 HydrophobicContact CD2-CE1 3.74Å; Y227-F308 AromaticContact CD2-CE2 3.48Å; Y227-F308 HydrophobicContact CD2-CE2 3.48Å; Y227-F308 VanDerWaalsContact CD2-CE2 3.48Å; Y227-F308 HydrophobicContact CD2-CG 4.29Å; Y227-F308 AromaticContact CD2-CZ 3.36Å; Y227-F308 HydrophobicContact CD2-CZ 3.36Å; Y227-F308 AromaticContact CE2-CD1 3.59Å; Y227-F308 HydrophobicContact CE2-CD1 3.59Å; Y227-F308 AromaticContact CE2-CD2 3.95Å; Y227-F308 HydrophobicContact CE2-CD2 3.95Å; Y227-F308 AromaticContact CE2-CE1 3.51Å; Y227-F308 HydrophobicContact CE2-CE1 3.51Å; Y227-F308 AromaticContact CE2-CE2 3.87Å; Y227-F308 HydrophobicContact CE2-CE2 3.87Å; Y227-F308 AromaticContact CE2-CG 3.82Å; Y227-F308 HydrophobicContact CE2-CG 3.82Å; Y227-F308 AromaticContact CE2-CZ 3.65Å; Y227-F308 HydrophobicContact CE2-CZ 3.65Å; Y227-F308 HydrophobicContact CG-CE2 4.17Å; Y227-F308 HydrophobicContact CG-CZ 4.42Å; Y227-F308 VanDerWaalsContact CZ-N 3.34Å; Y227-F308 PolarHBondContact OH-N 2.88Å; Y227-F308 VanDerWaalsContact OH-N 3.13Å
228	L	97	Very high	95.9	Very high	61 Å²	61	53.1 Å²	53.1	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-42.2	-178.1	-67.2	172.8	0	0	0	111.8	V224 Q225 V231 N232	V224-L228 HydrophobicContact CG1-CD1 4.21Å; V224-L228 WeakPolarHBondContact O-CG 3.42Å; V224-L228 PolarHBondContact O-N 2.95Å; Q225-L228 PolarHBondContact O-N 2.63Å; L228-V231 PolarHBondContact O-N 3.18Å; L228-N232 WeakPolarHBondContact O-CB 3.4Å; L228-N232 PolarHBondContact O-N 2.81Å; L228-N232 PolarHBondContact O-ND2 2.89Å
229	Q	96.6	Very high	95.4	Very high	74 Å²	74	53.4 Å²	53.4	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-40.2	176.3	-74.4	-177.8	18.8	0	0	112	T185 Q225 D226 Y227 N233	T185-Q229 VanDerWaalsContact CA-OE1 3.29Å; T185-Q229 HydrophobicContact CG2-CB 3.82Å; Q225-Q229 WeakPolarHBondContact O-CB 3.29Å; Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.38Å; Q225-Q229 PolarHBondContact O-N 2.88Å; D226-Q229 PolarHBondContact O-N 3.12Å; Y227-Q229 VanDerWaalsContact C-N 3.33Å; Y227-Q229 PolarHBondContact O-N 2.74Å; Q229-N233 VanDerWaalsContact O-CB 3.3Å; Q229-N233 WeakPolarHBondContact O-CB 3.38Å; Q229-N233 PolarHBondContact O-N 2.8Å; Q229-N233 VanDerWaalsContact O-N 3.13Å; Q229-N233 PolarHBondContact O-ND2 2.75Å
230	V	97.7	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-50.4	176	172.1	0	0	0	0	110.3	V183 T185 A194 L209 F213 D226 Y227 N232 N233 I234 W261	V183-V230 HydrophobicContact CB-CG2 4.49Å; V183-V230 HydrophobicContact CG1-CG2 4.27Å; T185-V230 HydrophobicContact CG2-CG2 3.83Å; A194-V230 HydrophobicContact CB-CB 4.34Å; A194-V230 HydrophobicContact CB-CG1 3.53Å; A194-V230 HydrophobicContact CB-CG2 3.73Å; L209-V230 HydrophobicContact CD2-CG1 4.19Å; F213-V230 HydrophobicContact CE1-CG2 4.29Å; D226-V230 VanDerWaalsContact O-CG2 3.29Å; D226-V230 WeakPolarHBondContact O-CG2 3.2Å; D226-V230 PolarHBondContact O-N 3.34Å; Y227-V230 PolarHBondContact O-N 3.08Å; Y227-V230 VanDerWaalsContact O-N 3.15Å; V230-N232 VanDerWaalsContact C-N 3.33Å; V230-N232 PolarHBondContact O-N 3.08Å; V230-N233 PolarHBondContact O-N 3.1Å; V230-N233 VanDerWaalsContact O-N 3.16Å; V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.08Å; V230-I234 WeakPolarHBondContact O-CD1 3.49Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 2.97Å; V230-W261 HydrophobicContact CB-CH2 3.85Å; V230-W261 HydrophobicContact CB-CZ2 3.98Å; V230-W261 HydrophobicContact CG1-CH2 3.31Å; V230-W261 HydrophobicContact CG1-CZ2 3.49Å; V230-W261 VanDerWaalsContact CG1-CZ2 3.49Å; V230-W261 HydrophobicContact CG1-CZ3 4.34Å
231	V	97	Very high	94	Very high	13 Å²	13	58.9 Å²	58.9	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-55.3	-48.2	178.4	176.1	0	0	0	0	111.6	Y227 L228 N233 L253 W261	Y227-V231 HydrophobicContact CD2-CG2 4.15Å; Y227-V231 HydrophobicContact CE1-CG2 4.13Å; Y227-V231 HydrophobicContact CE2-CG2 3.69Å; Y227-V231 WeakPolarHBondContact O-CG2 3.47Å; Y227-V231 PolarHBondContact O-N 3.16Å; L228-V231 PolarHBondContact O-N 3.18Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.13Å; V231-L253 HydrophobicContact CG1-CD1 4.4Å; V231-L253 HydrophobicContact CG1-CG 4.41Å; V231-L253 HydrophobicContact CG2-CD1 4.05Å; V231-W261 HydrophobicContact CG2-CH2 3.93Å; V231-W261 HydrophobicContact CG2-CZ3 3.97Å
232	N	95.2	Very high	93.3	Very high	120 Å²	120	55.8 Å²	55.8	64%	0.642	29%	0.289	S	S	*	.	H	α-helix	trans	-69.5	-21.1	-176.8	-69.3	-22.5	0	0	0	113.9	L228 V230	L228-N232 WeakPolarHBondContact O-CB 3.4Å; L228-N232 PolarHBondContact O-N 2.81Å; L228-N232 PolarHBondContact O-ND2 2.89Å; V230-N232 VanDerWaalsContact C-N 3.33Å; V230-N232 PolarHBondContact O-N 3.08Å
233	N	96	Very high	92.7	Very high	92 Å²	92	56.3 Å²	56.3	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-111.9	1.4	-175.5	-67.3	-65.9	0	0	0	114.3	V183 Q229 V230 V231 N235	V183-N233 HydrophobicContact CG1-CB 3.79Å; V183-N233 HydrophobicContact CG2-CB 4.01Å; Q229-N233 VanDerWaalsContact O-CB 3.3Å; Q229-N233 WeakPolarHBondContact O-CB 3.38Å; Q229-N233 PolarHBondContact O-N 2.8Å; Q229-N233 VanDerWaalsContact O-N 3.13Å; Q229-N233 PolarHBondContact O-ND2 2.75Å; V230-N233 PolarHBondContact O-N 3.1Å; V230-N233 VanDerWaalsContact O-N 3.16Å; V231-N233 VanDerWaalsContact C-N 3.26Å; V231-N233 PolarHBondContact O-N 3.13Å; N233-N235 VanDerWaalsContact C-N 3.27Å; N233-N235 PolarHBondContact O-N 3.3Å
234	I	93.9	Very high	92.1	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	31%	0.311	C	S	.	.			trans	-69	90.6	169	-71.3	151.8	0	0	0	108.4	L209 V230 L236 L253 W261	L209-I234 HydrophobicContact CD2-CD1 3.28Å; L209-I234 HydrophobicContact CD2-CG1 4.14Å; V230-I234 HydrophobicContact CG1-CD1 3.67Å; V230-I234 HydrophobicContact CG1-CG1 4.08Å; V230-I234 WeakPolarHBondContact O-CD1 3.49Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 2.97Å; I234-L236 HydrophobicContact CG2-CB 3.99Å; I234-L236 HydrophobicContact CG2-CG 4.42Å; I234-L236 PolarHBondContact O-N 2.87Å; I234-L253 HydrophobicContact CD1-CD2 3.83Å; I234-W261 HydrophobicContact CD1-CH2 4.46Å; I234-W261 HydrophobicContact CD1-CZ3 4.35Å
235	N	93.2	Very high	91.8	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	31%	0.311	S	S	.	.			trans	-83.9	60	173.9	-170.3	13.8	0	0	0	110.4	N233	N233-N235 VanDerWaalsContact C-N 3.27Å; N233-N235 PolarHBondContact O-N 3.3Å
236	L	95.4	Very high	91.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.			trans	-126.1	148.7	173.6	-68.2	177.7	0	0	0	111.1	Q179 V181 A196 C198 L207 I234 K238 R255 F256	Q179-L236 HydrophobicContact CB-CD2 3.86Å; V181-L236 HydrophobicContact CB-CD1 4.36Å; V181-L236 HydrophobicContact CB-CD2 4.4Å; V181-L236 HydrophobicContact CB-CG 4.15Å; V181-L236 HydrophobicContact CG1-CD1 3.68Å; V181-L236 HydrophobicContact CG1-CD2 4.45Å; V181-L236 HydrophobicContact CG1-CG 3.69Å; A196-L236 HydrophobicContact CB-CD1 4.03Å; C198-L236 HydrophobicContact CB-CD1 4.39Å; L207-L236 HydrophobicContact CD1-CD1 3.95Å; I234-L236 HydrophobicContact CG2-CB 3.99Å; I234-L236 HydrophobicContact CG2-CG 4.42Å; I234-L236 PolarHBondContact O-N 2.87Å; L236-K238 HydrophobicContact CD2-CG 4.12Å; L236-R255 PolarHBondContact O-NH1 3.24Å; L236-F256 HydrophobicContact CB-CZ 3.82Å
237	P	93.5	Very high	90.6	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	S	Bend	cis	-59.3	158	-18	33.1	-39.4	0	0	0	110.2	N242 Y245 Y247	P237-N242 HydrophobicContact CG-CB 4.49Å; P237-Y245 HydrophobicContact CB-CD1 4.3Å; P237-Y245 HydrophobicContact CB-CD2 3.69Å; P237-Y245 HydrophobicContact CB-CE1 4.43Å; P237-Y245 HydrophobicContact CB-CE2 3.82Å; P237-Y245 HydrophobicContact CB-CG 3.93Å; P237-Y245 HydrophobicContact CG-CD1 4.2Å; P237-Y245 HydrophobicContact CG-CD2 3.79Å; P237-Y245 HydrophobicContact CG-CE2 4.42Å; P237-Y245 HydrophobicContact CG-CG 3.65Å; P237-Y247 HydrophobicContact CG-CD2 3.66Å; P237-Y247 HydrophobicContact CG-CE2 4.07Å; P237-Y247 WeakPolarHBondContact O-CE2 3.41Å
238	K	91.6	Very high	89.9	Confident	93 Å²	93	68.4 Å²	68.4	40%	0.404	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-66.9	147.1	-179.8	-65.9	-176	-180	178.1	0	110	S180 L236 G240 F241	S180-K238 VanDerWaalsContact O-CE 3.27Å; S180-K238 WeakPolarHBondContact O-CE 3.37Å; S180-K238 PolarHBondContact O-NZ 3.48Å; L236-K238 HydrophobicContact CD2-CG 4.12Å; K238-G240 PolarHBondContact O-N 2.86Å; K238-F241 HydrophobicContact CB-CD2 4.12Å; K238-F241 PolarHBondContact O-N 3.44Å
239	V	83.7	Confident	89.3	Confident	103 Å²	103	68.8 Å²	68.8	62%	0.624	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	130.1	172.8	-179	0	0	0	0	109.4	Y247	V239-Y247 VanDerWaalsContact CG2-OH 3.28Å; V239-Y247 WeakPolarHBondContact CG2-OH 3.4Å
240	G	80.6	Confident	88.9	Confident	62 Å²	62	70.9 Å²	70.9	64%	0.639	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-13.4	-176.4	0	0	0	0	0	114.6	K238 N242	K238-G240 PolarHBondContact O-N 2.86Å; G240-N242 VanDerWaalsContact C-OD1 3.22Å; G240-N242 VanDerWaalsContact CA-OD1 3.26Å; G240-N242 WeakPolarHBondContact CA-OD1 3.27Å; G240-N242 PolarHBondContact N-OD1 3.04Å
241	F	82	Confident	88.6	Confident	129 Å²	129	73 Å²	73	57%	0.566	39%	0.39	S	S	*	.			trans	-116.1	35.6	179	-62.5	-89.2	0	0	0	112.3	Q179 K238 Y245	Q179-F241 PolarHBondContact NE2-O 3.22Å; K238-F241 HydrophobicContact CB-CD2 4.12Å; K238-F241 PolarHBondContact O-N 3.44Å; F241-Y245 WeakPolarHBondContact O-CD2 3.36Å; F241-Y245 WeakPolarHBondContact O-CE2 3.23Å
242	N	81.2	Confident	88.5	Confident	54 Å²	54	73.2 Å²	73.2	29%	0.289	39%	0.392	S	S	.	.			trans	-93.1	-7	-170.4	18.2	-24.5	0	0	0	113.8	P237 G240 G244 Y245 Y247	P237-N242 HydrophobicContact CG-CB 4.49Å; G240-N242 VanDerWaalsContact C-OD1 3.22Å; G240-N242 VanDerWaalsContact CA-OD1 3.26Å; G240-N242 WeakPolarHBondContact CA-OD1 3.27Å; G240-N242 PolarHBondContact N-OD1 3.04Å; N242-G244 PolarHBondContact O-N 2.91Å; N242-Y245 PolarHBondContact O-N 3.39Å; N242-Y247 HydrophobicContact CB-CD1 4.39Å; N242-Y247 HydrophobicContact CB-CD2 3.81Å; N242-Y247 HydrophobicContact CB-CG 3.7Å
243	K	84.4	Confident	88.5	Confident	151 Å²	151	67.5 Å²	67.5	66%	0.657	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	128.9	175.7	-70.8	-172.5	-179.4	178.7	0	110.8	Y245 N389	K243-Y245 VanDerWaalsContact C-N 3.28Å; K243-N389 WeakPolarHBondContact CD-O 3.15Å
244	G	84.7	Confident	88.4	Confident	32 Å²	32	65 Å²	65	33%	0.33	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-7.6	-177.5	0	0	0	0	0	114.9	N242	N242-G244 PolarHBondContact O-N 2.91Å
245	Y	90.6	Very high	88.5	Confident	22 Å²	22	66.5 Å²	66.5	9%	0.086	35%	0.353	C	S	.	.	S	Bend	trans	-104.6	162.2	173.8	-59.4	-84.4	0	0	0	111.2	F199 I200 P237 F241 N242 K243 Y247 F256	F199-Y245 WeakPolarHBondContact CA-OH 3.19Å; I200-Y245 HydrophobicContact CD1-CD1 4.37Å; I200-Y245 HydrophobicContact CD1-CD2 3.96Å; I200-Y245 HydrophobicContact CD1-CE1 4.12Å; I200-Y245 HydrophobicContact CD1-CE2 3.7Å; I200-Y245 HydrophobicContact CD1-CG 4.3Å; I200-Y245 HydrophobicContact CG1-CD1 4.37Å; I200-Y245 HydrophobicContact CG1-CE1 3.74Å; I200-Y245 HydrophobicContact CG1-CE2 4.03Å; P237-Y245 HydrophobicContact CB-CD1 4.3Å; P237-Y245 HydrophobicContact CB-CD2 3.69Å; P237-Y245 HydrophobicContact CB-CE1 4.43Å; P237-Y245 HydrophobicContact CB-CE2 3.82Å; P237-Y245 HydrophobicContact CB-CG 3.93Å; P237-Y245 HydrophobicContact CG-CD1 4.2Å; P237-Y245 HydrophobicContact CG-CD2 3.79Å; P237-Y245 HydrophobicContact CG-CE2 4.42Å; P237-Y245 HydrophobicContact CG-CG 3.65Å; F241-Y245 WeakPolarHBondContact O-CD2 3.36Å; F241-Y245 WeakPolarHBondContact O-CE2 3.23Å; N242-Y245 PolarHBondContact O-N 3.39Å; K243-Y245 VanDerWaalsContact C-N 3.28Å; Y245-Y247 PolarHBondContact O-N 3.09Å; Y245-F256 AromaticContact CD1-CD1 3.93Å; Y245-F256 HydrophobicContact CD1-CD1 3.93Å; Y245-F256 AromaticContact CD1-CE1 3.75Å; Y245-F256 HydrophobicContact CD1-CE1 3.75Å; Y245-F256 AromaticContact CE1-CD1 3.93Å; Y245-F256 HydrophobicContact CE1-CD1 3.93Å; Y245-F256 AromaticContact CE1-CE1 3.61Å; Y245-F256 HydrophobicContact CE1-CE1 3.61Å
246	K	86.6	Confident	88.7	Confident	75 Å²	75	62.4 Å²	62.4	33%	0.326	33%	0.331	S	S	.	.			trans	-95.5	67.9	178.4	-64.5	172.4	-179.9	154.3	0	110.3	E248 E249 R255 D257 K351	K246-E248 PolarHBondContact O-N 3.16Å; K246-E249 HydrophobicContact CB-CG 4.01Å; K246-E249 VanDerWaalsContact O-CG 3.27Å; K246-E249 WeakPolarHBondContact O-CG 3.27Å; K246-E249 PolarHBondContact O-N 3.17Å; K246-R255 PolarHBondContact N-O 2.95Å; K246-R255 VanDerWaalsContact N-O 3.08Å; K246-R255 WeakPolarHBondContact O-CA 3.24Å; K246-R255 WeakPolarHBondContact O-CB 3.22Å; K246-R255 WeakPolarHBondContact O-CG 3.47Å; K246-D257 IonicContact NZ-OD1 3.28Å; K246-D257 PolarHBondContact NZ-OD1 2.65Å; K246-K351 HydrophobicContact CD-CD 4.04Å
247	Y	82.8	Confident	88.7	Confident	67 Å²	67	63.2 Å²	63.2	26%	0.263	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.3	-167.7	-161.3	-105.2	0	0	0	115.2	P237 V239 N242 Y245 E249	P237-Y247 HydrophobicContact CG-CD2 3.66Å; P237-Y247 HydrophobicContact CG-CE2 4.07Å; P237-Y247 WeakPolarHBondContact O-CE2 3.41Å; V239-Y247 VanDerWaalsContact CG2-OH 3.28Å; V239-Y247 WeakPolarHBondContact CG2-OH 3.4Å; N242-Y247 HydrophobicContact CB-CD1 4.39Å; N242-Y247 HydrophobicContact CB-CD2 3.81Å; N242-Y247 HydrophobicContact CB-CG 3.7Å; Y245-Y247 PolarHBondContact O-N 3.09Å; Y247-E249 PolarHBondContact O-N 2.99Å
248	E	83.2	Confident	89	Confident	199 Å²	199	63.3 Å²	63.3	93%	0.93	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-7	-177.8	-63.6	175.5	178.7	0	0	114.1	K246	K246-E248 PolarHBondContact O-N 3.16Å
249	E	86.2	Confident	89.3	Confident	68 Å²	68	58.9 Å²	58.9	32%	0.318	32%	0.317	S	S	.	.			trans	-71.2	136.2	-178.4	-59.1	-74.4	177.5	0	0	111.8	K246 Y247 D254 R255 K351	K246-E249 HydrophobicContact CB-CG 4.01Å; K246-E249 VanDerWaalsContact O-CG 3.27Å; K246-E249 WeakPolarHBondContact O-CG 3.27Å; K246-E249 PolarHBondContact O-N 3.17Å; Y247-E249 PolarHBondContact O-N 2.99Å; E249-D254 HydrophobicContact CB-CB 4.05Å; E249-D254 HydrophobicContact CG-CB 4.3Å; E249-R255 HydrophobicContact CB-CG 4Å; E249-K351 IonicContact OE1-NZ 2.94Å; E249-K351 PolarHBondContact OE1-NZ 3.07Å; E249-K351 IonicContact OE2-NZ 3.56Å
250	S	87.6	Confident	90	Very high	118 Å²	118	54 Å²	54	83%	0.825	29%	0.288	S	S	*	.	S	Bend	trans	-68.6	-40.8	-176.9	58.2	0	0	0	0	112.5
251	N	91.8	Very high	90.9	Very high	44 Å²	44	51.1 Å²	51.1	24%	0.235	26%	0.257	C	S	.	.	S	Bend	trans	-83.7	123.4	171.6	-178.7	-13.2	0	0	0	109.7	L253 D254	N251-L253 PolarHBondContact O-N 3.44Å; N251-L253 VanDerWaalsContact O-N 3.09Å; N251-L253 PolarHBondContact OD1-N 2.93Å; N251-D254 HydrophobicContact CB-CB 4.3Å; N251-D254 VanDerWaalsContact CB-OD2 3.28Å; N251-D254 WeakPolarHBondContact CB-OD2 3.16Å; N251-D254 PolarHBondContact O-N 3.35Å
252	P	93.5	Very high	91.7	Very high	18 Å²	18	45 Å²	45	12%	0.117	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.1	179.5	-28.7	37.1	0	0	0	114.9	R255 F256	P252-R255 WeakPolarHBondContact O-CB 3.49Å; P252-R255 WeakPolarHBondContact O-CG 3.26Å; P252-F256 WeakPolarHBondContact O-CE2 3.34Å
253	L	95.8	Very high	92.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-73.2	-30	179.9	-56.8	-178.5	0	0	0	112.7	L207 V231 I234 N251 R255 F256 V259 W261 F311 M349	L207-L253 HydrophobicContact CD2-CD2 3.89Å; V231-L253 HydrophobicContact CG1-CD1 4.4Å; V231-L253 HydrophobicContact CG1-CG 4.41Å; V231-L253 HydrophobicContact CG2-CD1 4.05Å; I234-L253 HydrophobicContact CD1-CD2 3.83Å; N251-L253 PolarHBondContact O-N 3.44Å; N251-L253 VanDerWaalsContact O-N 3.09Å; N251-L253 PolarHBondContact OD1-N 2.93Å; L253-R255 PolarHBondContact O-N 3.44Å; L253-F256 PolarHBondContact O-N 3.34Å; L253-V259 HydrophobicContact CB-CG2 4.49Å; L253-W261 HydrophobicContact CD1-CZ3 4.1Å; L253-W261 HydrophobicContact CD2-CZ3 4.3Å; L253-F311 HydrophobicContact CD1-CE2 3.73Å; L253-F311 HydrophobicContact CD1-CZ 3.9Å; L253-M349 HydrophobicContact CB-CE 4.1Å
254	D	94.8	Very high	93.2	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-76	-6.3	-176.7	-66.8	-27.3	0	0	0	113	E249 N251 F256 K351	E249-D254 HydrophobicContact CB-CB 4.05Å; E249-D254 HydrophobicContact CG-CB 4.3Å; N251-D254 HydrophobicContact CB-CB 4.3Å; N251-D254 VanDerWaalsContact CB-OD2 3.28Å; N251-D254 WeakPolarHBondContact CB-OD2 3.16Å; N251-D254 PolarHBondContact O-N 3.35Å; D254-F256 PolarHBondContact O-N 3.45Å; D254-K351 PolarHBondContact O-NZ 2.83Å
255	R	95.2	Very high	93.9	Very high	35 Å²	35	33.8 Å²	33.8	13%	0.132	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-69.1	-15.9	173.4	-58	179.9	-177.1	154.6	3.4	113.3	L236 K246 E249 P252 L253	L236-R255 PolarHBondContact O-NH1 3.24Å; K246-R255 PolarHBondContact N-O 2.95Å; K246-R255 VanDerWaalsContact N-O 3.08Å; K246-R255 WeakPolarHBondContact O-CA 3.24Å; K246-R255 WeakPolarHBondContact O-CB 3.22Å; K246-R255 WeakPolarHBondContact O-CG 3.47Å; E249-R255 HydrophobicContact CB-CG 4Å; P252-R255 WeakPolarHBondContact O-CB 3.49Å; P252-R255 WeakPolarHBondContact O-CG 3.26Å; L253-R255 PolarHBondContact O-N 3.44Å
256	F	96.6	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-107.4	150.2	-178.2	-56.6	-85.4	0	0	0	110.8	C198 S205 L207 L236 Y245 P252 L253 D254 V258 V259	C198-F256 HydrophobicContact CB-CD1 4.13Å; C198-F256 HydrophobicContact CB-CE1 3.36Å; C198-F256 HydrophobicContact CB-CZ 3.97Å; S205-F256 WeakPolarHBondContact OG-CA 3.21Å; L207-F256 HydrophobicContact CB-CB 4.24Å; L207-F256 HydrophobicContact CB-CD1 3.84Å; L207-F256 HydrophobicContact CB-CD2 3.91Å; L207-F256 HydrophobicContact CB-CE1 4.19Å; L207-F256 HydrophobicContact CB-CE2 4.26Å; L207-F256 HydrophobicContact CB-CG 3.7Å; L207-F256 HydrophobicContact CB-CZ 4.38Å; L207-F256 HydrophobicContact CD1-CE2 4.36Å; L207-F256 HydrophobicContact CD1-CZ 4.2Å; L207-F256 HydrophobicContact CD2-CD2 3.71Å; L207-F256 HydrophobicContact CD2-CE2 3.7Å; L207-F256 HydrophobicContact CD2-CG 4.38Å; L207-F256 HydrophobicContact CD2-CZ 4.34Å; L207-F256 HydrophobicContact CG-CD2 4.34Å; L207-F256 HydrophobicContact CG-CE2 4.33Å; L236-F256 HydrophobicContact CB-CZ 3.82Å; Y245-F256 AromaticContact CD1-CD1 3.93Å; Y245-F256 HydrophobicContact CD1-CD1 3.93Å; Y245-F256 AromaticContact CD1-CE1 3.75Å; Y245-F256 HydrophobicContact CD1-CE1 3.75Å; Y245-F256 AromaticContact CE1-CD1 3.93Å; Y245-F256 HydrophobicContact CE1-CD1 3.93Å; Y245-F256 AromaticContact CE1-CE1 3.61Å; Y245-F256 HydrophobicContact CE1-CE1 3.61Å; P252-F256 WeakPolarHBondContact O-CE2 3.34Å; L253-F256 PolarHBondContact O-N 3.34Å; D254-F256 PolarHBondContact O-N 3.45Å; F256-V258 VanDerWaalsContact C-N 3.35Å; F256-V259 HydrophobicContact CB-CG2 4Å
257	D	97	Very high	94.8	Very high	18 Å²	18	29.3 Å²	29.3	10%	0.096	15%	0.151	C	C	.	.	S	Bend	trans	-72.7	-35.3	174.5	-65.8	-54.2	0	0	0	110.7	T204 S205 K246 K351 R384	T204-D257 HydrophobicContact CG2-CB 4.1Å; S205-D257 PolarHBondContact N-OD2 3.38Å; S205-D257 WeakPolarHBondContact O-CB 3.4Å; S205-D257 PolarHBondContact O-N 3.04Å; S205-D257 VanDerWaalsContact O-N 3.07Å; S205-D257 PolarHBondContact OG-N 3.41Å; S205-D257 PolarHBondContact OG-OD2 3.16Å; K246-D257 IonicContact NZ-OD1 3.28Å; K246-D257 PolarHBondContact NZ-OD1 2.65Å; D257-K351 PolarHBondContact O-N 3.11Å; D257-R384 IonicContact OD2-NH2 2.85Å; D257-R384 PolarHBondContact OD2-NH2 3.03Å
258	V	98.4	Very high	95.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.9	179.9	-177.2	0	0	0	0	111.1	T204 S205 I206 L207 F256 F260 M349 L356 L381	T204-V258 HydrophobicContact CG2-CG2 4.32Å; S205-V258 PolarHBondContact O-N 3.38Å; S205-V258 VanDerWaalsContact O-N 3.09Å; I206-V258 WeakPolarHBondContact CA-O 3.31Å; L207-V258 PolarHBondContact N-O 3.04Å; F256-V258 VanDerWaalsContact C-N 3.35Å; V258-F260 HydrophobicContact CG1-CD2 4.02Å; V258-F260 HydrophobicContact CG1-CE1 4.43Å; V258-F260 HydrophobicContact CG1-CE2 3.44Å; V258-F260 VanDerWaalsContact CG1-CE2 3.44Å; V258-F260 HydrophobicContact CG1-CZ 3.69Å; V258-M349 WeakPolarHBondContact CA-O 3.43Å; V258-L356 HydrophobicContact CG1-CD2 3.68Å; V258-L381 HydrophobicContact CG2-CD1 3.55Å; V258-L381 HydrophobicContact CG2-CD2 4.23Å
259	V	98.7	Very high	96.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.9	174.4	-175.2	0	0	0	0	109.8	L207 L209 L253 F256 F311 F348 M349	L207-V259 HydrophobicContact CB-CG1 4.29Å; L207-V259 HydrophobicContact CB-CG2 4.16Å; L207-V259 HydrophobicContact CD2-CG1 3.87Å; L207-V259 HydrophobicContact CD2-CG2 4.15Å; L207-V259 HydrophobicContact CG-CG1 4.19Å; L207-V259 CarbonylContact O-C 3.57Å; L207-V259 WeakPolarHBondContact O-CA 3.49Å; L209-V259 HydrophobicContact CD1-CG1 3.45Å; L209-V259 VanDerWaalsContact CD1-CG1 3.45Å; L253-V259 HydrophobicContact CB-CG2 4.49Å; F256-V259 HydrophobicContact CB-CG2 4Å; V259-F311 HydrophobicContact CB-CE1 4.27Å; V259-F311 HydrophobicContact CB-CZ 4.22Å; V259-F311 HydrophobicContact CG1-CE1 3.94Å; V259-F311 HydrophobicContact CG1-CZ 3.81Å; V259-F348 CarbonylContact O-C 3.58Å; V259-F348 VanDerWaalsContact O-CA 3.27Å; V259-F348 WeakPolarHBondContact O-CA 3.43Å; V259-M349 HydrophobicContact CB-CB 4.33Å; V259-M349 HydrophobicContact CB-CE 4.25Å; V259-M349 HydrophobicContact CG2-CE 3.63Å; V259-M349 PolarHBondContact N-O 3.47Å; V259-M349 PolarHBondContact O-N 2.96Å
260	F	98.9	Very high	96.7	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.5	169	-60.8	-82.5	0	0	0	109.2	I89 V91 I206 L207 F208 L209 V258 F348 L356 F379	I89-F260 HydrophobicContact CB-CZ 4.35Å; I89-F260 HydrophobicContact CD1-CE2 3.99Å; I89-F260 HydrophobicContact CD1-CZ 4.1Å; I89-F260 HydrophobicContact CG2-CE2 4.21Å; I89-F260 HydrophobicContact CG2-CZ 4.15Å; V91-F260 HydrophobicContact CG2-CB 4.04Å; V91-F260 HydrophobicContact CG2-CD1 3.79Å; V91-F260 HydrophobicContact CG2-CE1 4.41Å; V91-F260 HydrophobicContact CG2-CG 3.91Å; I206-F260 HydrophobicContact CG2-CD2 3.99Å; I206-F260 HydrophobicContact CG2-CE2 3.89Å; L207-F260 PolarHBondContact O-N 2.91Å; F208-F260 CarbonylContact C-O 3.57Å; F208-F260 WeakPolarHBondContact CA-O 3.47Å; F208-F260 HydrophobicContact CD1-CB 3.71Å; F208-F260 AromaticContact CD1-CD2 3.69Å; F208-F260 HydrophobicContact CD1-CD2 3.69Å; F208-F260 AromaticContact CD1-CG 3.99Å; F208-F260 HydrophobicContact CD1-CG 3.99Å; F208-F260 HydrophobicContact CE1-CB 4.07Å; F208-F260 AromaticContact CE1-CD2 3.25Å; F208-F260 HydrophobicContact CE1-CD2 3.25Å; F208-F260 AromaticContact CE1-CE2 3.82Å; F208-F260 HydrophobicContact CE1-CE2 3.82Å; F208-F260 AromaticContact CE1-CG 3.82Å; F208-F260 HydrophobicContact CE1-CG 3.82Å; F208-F260 AromaticContact CZ-CD2 3.78Å; F208-F260 HydrophobicContact CZ-CD2 3.78Å; F208-F260 HydrophobicContact CZ-CE2 4Å; L209-F260 WeakPolarHBondContact CD1-O 3.22Å; L209-F260 PolarHBondContact N-O 3.38Å; V258-F260 HydrophobicContact CG1-CD2 4.02Å; V258-F260 HydrophobicContact CG1-CE1 4.43Å; V258-F260 HydrophobicContact CG1-CE2 3.44Å; V258-F260 VanDerWaalsContact CG1-CE2 3.44Å; V258-F260 HydrophobicContact CG1-CZ 3.69Å; F260-F348 HydrophobicContact CD1-CB 3.98Å; F260-F348 HydrophobicContact CE1-CB 4.26Å; F260-L356 HydrophobicContact CE1-CD1 4.02Å; F260-L356 HydrophobicContact CE1-CD2 3.75Å; F260-L356 HydrophobicContact CE1-CG 4.5Å; F260-L356 HydrophobicContact CZ-CD1 3.74Å; F260-L356 HydrophobicContact CZ-CD2 3.93Å; F260-F379 AromaticContact CD1-CD2 3.99Å; F260-F379 HydrophobicContact CD1-CD2 3.99Å; F260-F379 AromaticContact CD1-CE2 3.79Å; F260-F379 HydrophobicContact CD1-CE2 3.79Å; F260-F379 HydrophobicContact CD1-CZ 4.19Å; F260-F379 HydrophobicContact CE1-CB 4.18Å; F260-F379 HydrophobicContact CE1-CD1 4.07Å; F260-F379 AromaticContact CE1-CD2 3.42Å; F260-F379 HydrophobicContact CE1-CD2 3.42Å; F260-F379 VanDerWaalsContact CE1-CD2 3.42Å; F260-F379 HydrophobicContact CE1-CE1 4.35Å; F260-F379 AromaticContact CE1-CE2 3.71Å; F260-F379 HydrophobicContact CE1-CE2 3.71Å; F260-F379 AromaticContact CE1-CG 3.62Å; F260-F379 HydrophobicContact CE1-CG 3.62Å; F260-F379 HydrophobicContact CE1-CZ 4.17Å; F260-F379 HydrophobicContact CZ-CB 4.49Å; F260-F379 HydrophobicContact CZ-CD2 4.32Å; F260-F379 HydrophobicContact CZ-CG 4.39Å
261	W	98.9	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.3	178.6	-163.8	-51.1	0	0	0	109.8	L209 S211 F213 Y227 V230 V231 I234 L253 F308 F311 L347	L209-W261 HydrophobicContact CB-CD2 4.1Å; L209-W261 HydrophobicContact CB-CE3 4.5Å; L209-W261 HydrophobicContact CB-CG 4.13Å; L209-W261 HydrophobicContact CD1-CB 4.4Å; L209-W261 HydrophobicContact CD1-CD2 4.2Å; L209-W261 HydrophobicContact CD1-CE3 3.86Å; L209-W261 HydrophobicContact CD1-CG 4.47Å; L209-W261 HydrophobicContact CD2-CD2 3.95Å; L209-W261 HydrophobicContact CD2-CE3 3.65Å; L209-W261 HydrophobicContact CD2-CH2 3.97Å; L209-W261 HydrophobicContact CD2-CZ2 4.21Å; L209-W261 HydrophobicContact CD2-CZ3 3.66Å; L209-W261 HydrophobicContact CG-CD2 4.34Å; L209-W261 HydrophobicContact CG-CE3 4.24Å; S211-W261 PolarHBondContact OG-NE1 3.38Å; F213-W261 HydrophobicContact CE1-CZ2 4.41Å; F213-W261 AromaticContact CZ-CZ2 3.87Å; F213-W261 HydrophobicContact CZ-CZ2 3.87Å; Y227-W261 AromaticContact CD2-CH2 3.97Å; Y227-W261 HydrophobicContact CD2-CH2 3.97Å; Y227-W261 HydrophobicContact CD2-CZ2 4.24Å; Y227-W261 HydrophobicContact CD2-CZ3 4.44Å; Y227-W261 HydrophobicContact CE2-CH2 4.15Å; Y227-W261 HydrophobicContact CE2-CZ3 4.18Å; V230-W261 HydrophobicContact CB-CH2 3.85Å; V230-W261 HydrophobicContact CB-CZ2 3.98Å; V230-W261 HydrophobicContact CG1-CH2 3.31Å; V230-W261 HydrophobicContact CG1-CZ2 3.49Å; V230-W261 VanDerWaalsContact CG1-CZ2 3.49Å; V230-W261 HydrophobicContact CG1-CZ3 4.34Å; V231-W261 HydrophobicContact CG2-CH2 3.93Å; V231-W261 HydrophobicContact CG2-CZ3 3.97Å; I234-W261 HydrophobicContact CD1-CH2 4.46Å; I234-W261 HydrophobicContact CD1-CZ3 4.35Å; L253-W261 HydrophobicContact CD1-CZ3 4.1Å; L253-W261 HydrophobicContact CD2-CZ3 4.3Å; W261-F308 HydrophobicContact CB-CE1 4.34Å; W261-F308 AromaticContact CD2-CE1 3.7Å; W261-F308 HydrophobicContact CD2-CE1 3.7Å; W261-F308 HydrophobicContact CD2-CZ 4.17Å; W261-F308 AromaticContact CE3-CE1 3.97Å; W261-F308 HydrophobicContact CE3-CE1 3.97Å; W261-F308 AromaticContact CG-CE1 3.86Å; W261-F308 HydrophobicContact CG-CE1 3.86Å; W261-F308 HydrophobicContact CG-CZ 4.35Å; W261-F308 HydrophobicContact CZ2-CZ 4.44Å; W261-F311 HydrophobicContact CB-CE1 3.91Å; W261-F311 HydrophobicContact CE3-CZ 4.12Å; W261-L347 PolarHBondContact N-O 3.39Å; W261-L347 PolarHBondContact O-N 2.98Å
262	A	98.9	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.6	179.7	0	0	0	0	0	111.6	V91 C127 L209 S210 S211 R345 I346	V91-A262 HydrophobicContact CG1-CB 3.7Å; C127-A262 HydrophobicContact CB-CB 4.2Å; L209-A262 PolarHBondContact O-N 2.93Å; S210-A262 CarbonylContact C-O 3.53Å; S210-A262 VanDerWaalsContact CA-O 3.24Å; S210-A262 WeakPolarHBondContact CA-O 3.36Å; S211-A262 PolarHBondContact N-O 2.94Å; A262-R345 WeakPolarHBondContact CA-O 3.08Å; A262-I346 HydrophobicContact CB-CB 4.43Å; A262-I346 HydrophobicContact CB-CG1 3.9Å; A262-I346 HydrophobicContact CB-CG2 4.34Å
263	G	98.7	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.2	176.4	174.3	0	0	0	0	0	114.8	T93 S211 L265 D344 R345	T93-G263 WeakPolarHBondContact OG1-CA 3.5Å; T93-G263 PolarHBondContact OG1-N 3.13Å; S211-G263 CarbonylContact O-C 3.52Å; S211-G263 WeakPolarHBondContact O-CA 3.28Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.46Å; G263-D344 WeakPolarHBondContact O-CA 3.44Å; G263-R345 PolarHBondContact N-O 2.87Å; G263-R345 VanDerWaalsContact N-O 3.13Å; G263-R345 PolarHBondContact O-N 3.32Å
264	D	98.5	Very high	97.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	82.2	164.3	-178.3	4.6	0	0	0	109.2	N95 Q129 S211 H212 F213 N266 T343 H372	N95-D264 HydrophobicContact CB-CB 4.33Å; N95-D264 PolarHBondContact ND2-OD2 2.98Å; Q129-D264 HydrophobicContact CB-CB 4.42Å; Q129-D264 HydrophobicContact CG-CB 4.04Å; S211-D264 PolarHBondContact O-N 3.12Å; S211-D264 VanDerWaalsContact O-N 3.12Å; H212-D264 WeakPolarHBondContact CA-O 3.2Å; H212-D264 IonicContact CD2-OD2 2.65Å; H212-D264 IonicContact CE1-OD2 2.62Å; H212-D264 IonicContact NE2-OD2 2.73Å; H212-D264 PolarHBondContact NE2-OD2 3.31Å; F213-D264 PolarHBondContact N-O 3Å; D264-N266 PolarHBondContact O-N 3.27Å; D264-N266 PolarHBondContact O-ND2 2.91Å; D264-N266 PolarHBondContact OD1-N 3.4Å; D264-N266 VanDerWaalsContact OD1-N 3.17Å; D264-N266 PolarHBondContact OD1-ND2 3.36Å; D264-N266 PolarHBondContact OD2-ND2 2.87Å; D264-T343 CarbonylContact C-O 3.5Å; D264-T343 WeakPolarHBondContact OD1-CB 3.46Å; D264-H372 IonicContact OD2-CE1 3.67Å; D264-H372 PolarHBondContact OD2-CE1 3.33Å; D264-H372 IonicContact OD2-NE2 3.99Å
265	L	98.5	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.			trans	-74.4	-8.4	179	-52.8	-169.1	0	0	0	111.9	F213 R223 G263 F267 L298 F308 T343 R345 L347	F213-L265 WeakPolarHBondContact CB-O 3.42Å; F213-L265 HydrophobicContact CD2-CB 4.04Å; F213-L265 HydrophobicContact CD2-CD2 4.01Å; F213-L265 HydrophobicContact CE2-CB 4.45Å; F213-L265 HydrophobicContact CE2-CD2 3.85Å; F213-L265 HydrophobicContact CG-CD2 4.45Å; F213-L265 HydrophobicContact CZ-CD2 4.14Å; R223-L265 VanDerWaalsContact CD-O 3.22Å; R223-L265 WeakPolarHBondContact CD-O 3.34Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.46Å; L265-F267 HydrophobicContact CB-CD2 3.67Å; L265-F267 HydrophobicContact CB-CE2 3.96Å; L265-F267 WeakPolarHBondContact O-CD2 3.24Å; L265-F267 PolarHBondContact O-N 3.37Å; L265-L298 HydrophobicContact CD1-CD2 4.07Å; L265-F308 HydrophobicContact CD1-CE2 4.33Å; L265-F308 HydrophobicContact CD1-CZ 4.14Å; L265-T343 PolarHBondContact N-O 2.98Å; L265-R345 HydrophobicContact CD1-CB 3.84Å; L265-R345 HydrophobicContact CD1-CG 4.33Å; L265-R345 HydrophobicContact CG-CB 4.23Å; L265-L347 HydrophobicContact CD1-CD1 3.57Å
266	N	97.8	Very high	97.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	13%	0.125	C	C	.	.			trans	60.4	11.3	170.2	-93.4	-75.1	0	0	0	116.4	H212 F213 R223 D264 R268 T343	H212-N266 PolarHBondContact CD2-ND2 3.49Å; H212-N266 VanDerWaalsContact CD2-ND2 3.32Å; H212-N266 PolarHBondContact NE2-ND2 2.89Å; F213-N266 PolarHBondContact O-ND2 3.41Å; R223-N266 VanDerWaalsContact CD-C 3.41Å; R223-N266 WeakPolarHBondContact CD-O 3.32Å; R223-N266 PolarHBondContact NE-O 2.95Å; D264-N266 PolarHBondContact O-N 3.27Å; D264-N266 PolarHBondContact O-ND2 2.91Å; D264-N266 PolarHBondContact OD1-N 3.4Å; D264-N266 VanDerWaalsContact OD1-N 3.17Å; D264-N266 PolarHBondContact OD1-ND2 3.36Å; D264-N266 PolarHBondContact OD2-ND2 2.87Å; N266-R268 WeakPolarHBondContact O-CD 3.26Å; N266-R268 PolarHBondContact O-NE 3.36Å; N266-R268 PolarHBondContact OD1-NH2 3.16Å; N266-T343 PolarHBondContact N-O 3.24Å
267	F	98.4	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.			trans	-66.3	144.6	172.4	-70.1	-77.4	0	0	0	111	F213 F220 R223 L265 E297 L298 I307	F213-F267 HydrophobicContact CD2-CE2 4.11Å; F213-F267 HydrophobicContact CE2-CE2 4.37Å; F220-F267 HydrophobicContact CD2-CD1 4.35Å; F220-F267 HydrophobicContact CD2-CE1 4.23Å; F220-F267 HydrophobicContact CE2-CD1 4.39Å; F220-F267 HydrophobicContact CE2-CE1 4.1Å; R223-F267 HydrophobicContact CB-CD1 4.44Å; R223-F267 HydrophobicContact CB-CE1 3.78Å; R223-F267 HydrophobicContact CB-CE2 4.43Å; R223-F267 HydrophobicContact CB-CZ 3.76Å; L265-F267 HydrophobicContact CB-CD2 3.67Å; L265-F267 HydrophobicContact CB-CE2 3.96Å; L265-F267 WeakPolarHBondContact O-CD2 3.24Å; L265-F267 PolarHBondContact O-N 3.37Å; F267-E297 HydrophobicContact CB-CB 4.1Å; F267-E297 HydrophobicContact CD1-CB 3.77Å; F267-E297 HydrophobicContact CG-CB 4.4Å; F267-L298 HydrophobicContact CB-CB 3.8Å; F267-L298 HydrophobicContact CD1-CB 4.27Å; F267-L298 HydrophobicContact CD2-CB 3.77Å; F267-L298 HydrophobicContact CD2-CD1 3.9Å; F267-L298 HydrophobicContact CD2-CD2 4.22Å; F267-L298 HydrophobicContact CD2-CG 4.18Å; F267-L298 HydrophobicContact CE2-CB 4.43Å; F267-L298 HydrophobicContact CE2-CD1 3.73Å; F267-L298 HydrophobicContact CG-CB 3.69Å; F267-L298 HydrophobicContact CG-CD1 4.49Å; F267-L298 HydrophobicContact CZ-CD1 4.18Å; F267-I307 HydrophobicContact CE1-CD1 3.9Å; F267-I307 HydrophobicContact CE2-CD1 4.12Å; F267-I307 HydrophobicContact CZ-CD1 3.36Å
268	R	97.8	Very high	97.1	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.06	16%	0.155	C	C	.	.			trans	-118.7	156	-166.6	-55.1	-55.6	177.6	159.4	-5.6	112.8	H217 N266 E297 T343	H217-R268 HydrophobicContact CB-CB 4.44Å; H217-R268 HydrophobicContact CB-CG 3.99Å; N266-R268 WeakPolarHBondContact O-CD 3.26Å; N266-R268 PolarHBondContact O-NE 3.36Å; N266-R268 PolarHBondContact OD1-NH2 3.16Å; R268-E297 PolarHBondContact N-OE2 3.09Å; R268-E297 VanDerWaalsContact O-CG 3.26Å; R268-E297 WeakPolarHBondContact O-CG 3.25Å; R268-E297 PolarHBondContact O-N 3.03Å; R268-T343 VanDerWaalsContact CZ-CG2 3.45Å
269	I	97.6	Very high	96.9	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.036	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-77.9	124.2	166.1	-66.8	-53.8	0	0	0	109.1	R271 V276 L292 V295 D296 S341 Y342	I269-R271 VanDerWaalsContact C-N 3.29Å; I269-R271 HydrophobicContact CG2-CB 4.22Å; I269-R271 PolarHBondContact O-N 2.85Å; I269-R271 VanDerWaalsContact O-N 3.09Å; I269-V276 HydrophobicContact CG2-CG2 3.59Å; I269-L292 HydrophobicContact CD1-CB 4.34Å; I269-L292 WeakPolarHBondContact CD1-O 3.37Å; I269-L292 HydrophobicContact CG2-CD2 4.43Å; I269-V295 HydrophobicContact CG2-CG2 3.98Å; I269-D296 HydrophobicContact CD1-CB 3.83Å; I269-S341 PolarHBondContact N-OG 3.21Å; I269-S341 VanDerWaalsContact N-OG 3.16Å; I269-Y342 HydrophobicContact CD1-CD2 3.81Å; I269-Y342 HydrophobicContact CD1-CE2 4.04Å; I269-Y342 HydrophobicContact CG1-CD2 4.25Å; I269-Y342 HydrophobicContact CG1-CE2 4.48Å
270	Q	96.3	Very high	96.6	Very high	101 Å²	101	34.6 Å²	34.6	47%	0.472	17%	0.167	S	C	.	.			trans	-89.2	59.3	-176.7	-60	-168.5	-37.1	0	0	112.5	V295 E297	Q270-V295 PolarHBondContact N-O 3.17Å; Q270-E297 HydrophobicContact CG-CG 3.63Å; Q270-E297 VanDerWaalsContact NE2-CG 3.34Å; Q270-E297 PolarHBondContact NE2-OE1 2.88Å
271	R	96	Very high	96.2	Very high	123 Å²	123	41.7 Å²	41.7	46%	0.464	20%	0.197	S	C	.	.	S	Bend	trans	-142.4	154.2	174.9	-72.6	-65.2	-176.7	-90.6	5.5	111.9	I269 V276 V295	I269-R271 VanDerWaalsContact C-N 3.29Å; I269-R271 HydrophobicContact CG2-CB 4.22Å; I269-R271 PolarHBondContact O-N 2.85Å; I269-R271 VanDerWaalsContact O-N 3.09Å; R271-V276 HydrophobicContact CB-CG2 3.74Å; R271-V295 HydrophobicContact CG-CB 4.35Å; R271-V295 HydrophobicContact CG-CG1 4.45Å; R271-V295 HydrophobicContact CG-CG2 3.85Å; R271-V295 VanDerWaalsContact NH1-CG1 3.33Å
272	P	96.1	Very high	95.6	Very high	71 Å²	71	43.1 Å²	43.1	46%	0.461	21%	0.212	S	C	.	.			trans	-58.6	145.3	172.2	-23.6	34.4	0	0	0	112.1	H274 I275 V276	P272-H274 VanDerWaalsContact C-N 3.33Å; P272-H274 PolarHBondContact O-N 2.96Å; P272-I275 HydrophobicContact CB-CG1 4.33Å; P272-I275 HydrophobicContact CG-CG1 4.44Å; P272-I275 WeakPolarHBondContact O-CB 3.38Å; P272-I275 PolarHBondContact O-N 3.21Å; P272-V276 PolarHBondContact O-N 2.99Å
273	R	96.3	Very high	94.5	Very high	36 Å²	36	52.6 Å²	52.6	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-51.2	-48.1	-176.2	178.9	169.5	175.1	142.8	-11.1	113.5	I275 V276 E277 Y331 D332 Q337 R338 V339	R273-I275 VanDerWaalsContact C-N 3.27Å; R273-I275 PolarHBondContact O-N 2.98Å; R273-V276 PolarHBondContact O-N 3.37Å; R273-V276 VanDerWaalsContact O-N 3.15Å; R273-E277 HydrophobicContact CG-CG 4.22Å; R273-E277 IonicContact CZ-OE1 2.72Å; R273-E277 IonicContact NE-OE1 3.37Å; R273-E277 PolarHBondContact NE-OE1 3.5Å; R273-E277 IonicContact NH2-OE1 2.88Å; R273-E277 PolarHBondContact NH2-OE1 3.11Å; R273-E277 PolarHBondContact O-N 3.22Å; R273-Y331 PolarHBondContact NH2-O 3.44Å; R273-D332 PolarHBondContact NH1-O 2.91Å; R273-D332 PolarHBondContact NH2-O 2.77Å; R273-D332 VanDerWaalsContact NH2-O 3.11Å; R273-Q337 VanDerWaalsContact CD-O 3.32Å; R273-Q337 WeakPolarHBondContact CD-O 3.37Å; R273-R338 PolarHBondContact NH1-O 3.25Å; R273-V339 HydrophobicContact CB-CG2 4.04Å
274	H	95.5	Very high	93.4	Very high	115 Å²	115	60.7 Å²	60.7	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-35.2	-177.3	68.6	-88	0	0	0	112.4	P272 N278	P272-H274 VanDerWaalsContact C-N 3.33Å; P272-H274 PolarHBondContact O-N 2.96Å; H274-N278 WeakPolarHBondContact O-CB 3.42Å; H274-N278 PolarHBondContact O-N 3.45Å; H274-N278 PolarHBondContact O-ND2 3.32Å; H274-N278 PolarHBondContact O-OD1 3.16Å
275	I	94.8	Very high	92.3	Very high	62 Å²	62	67.8 Å²	67.8	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-48.8	175.1	-58.9	-60.2	0	0	0	109.9	P272 R273 E277 N278 V279	P272-I275 HydrophobicContact CB-CG1 4.33Å; P272-I275 HydrophobicContact CG-CG1 4.44Å; P272-I275 WeakPolarHBondContact O-CB 3.38Å; P272-I275 PolarHBondContact O-N 3.21Å; R273-I275 VanDerWaalsContact C-N 3.27Å; R273-I275 PolarHBondContact O-N 2.98Å; I275-E277 VanDerWaalsContact C-N 3.35Å; I275-E277 PolarHBondContact O-N 3.28Å; I275-N278 PolarHBondContact O-N 3.48Å; I275-V279 HydrophobicContact CG2-CG2 4.46Å; I275-V279 VanDerWaalsContact O-CG2 3.3Å; I275-V279 WeakPolarHBondContact O-CG2 3.39Å; I275-V279 PolarHBondContact O-N 3.35Å
276	V	96.2	Very high	91.1	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-46.3	179.3	175.8	0	0	0	0	111.2	I269 R271 P272 R273 N278 V279 I280 L292 V339 P340	I269-V276 HydrophobicContact CG2-CG2 3.59Å; R271-V276 HydrophobicContact CB-CG2 3.74Å; P272-V276 PolarHBondContact O-N 2.99Å; R273-V276 PolarHBondContact O-N 3.37Å; R273-V276 VanDerWaalsContact O-N 3.15Å; V276-N278 PolarHBondContact O-N 2.87Å; V276-V279 PolarHBondContact O-N 3.3Å; V276-I280 HydrophobicContact CG1-CD1 3.79Å; V276-I280 HydrophobicContact CG1-CG1 4.49Å; V276-I280 VanDerWaalsContact O-CG1 3.25Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 3.05Å; V276-L292 HydrophobicContact CB-CD2 4.33Å; V276-L292 HydrophobicContact CG1-CD2 3.97Å; V276-L292 HydrophobicContact CG2-CD2 4.22Å; V276-V339 HydrophobicContact CB-CG1 4.11Å; V276-V339 HydrophobicContact CG1-CG1 4.32Å; V276-V339 HydrophobicContact CG2-CG1 3.67Å; V276-P340 HydrophobicContact CG1-CB 3.94Å; V276-P340 HydrophobicContact CG1-CG 4.2Å
277	E	94.3	Very high	90.1	Very high	40 Å²	40	79.5 Å²	79.5	19%	0.187	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-40.2	177	-73.8	-169	-175.7	0	0	113.1	R273 I275 V279 I280 K281	R273-E277 HydrophobicContact CG-CG 4.22Å; R273-E277 IonicContact CZ-OE1 2.72Å; R273-E277 IonicContact NE-OE1 3.37Å; R273-E277 PolarHBondContact NE-OE1 3.5Å; R273-E277 IonicContact NH2-OE1 2.88Å; R273-E277 PolarHBondContact NH2-OE1 3.11Å; R273-E277 PolarHBondContact O-N 3.22Å; I275-E277 VanDerWaalsContact C-N 3.35Å; I275-E277 PolarHBondContact O-N 3.28Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.89Å; E277-I280 PolarHBondContact O-N 3.35Å; E277-K281 WeakPolarHBondContact O-CB 3.38Å; E277-K281 VanDerWaalsContact O-CG 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.35Å; E277-K281 PolarHBondContact O-N 3.01Å; E277-K281 IonicContact OE2-NZ 3.17Å; E277-K281 PolarHBondContact OE2-NZ 3.46Å
278	N	93.3	Very high	89.4	Confident	100 Å²	100	80 Å²	80	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-41.8	177.1	-74.1	-15.4	0	0	0	111.3	H274 I275 V276 K281 G282	H274-N278 WeakPolarHBondContact O-CB 3.42Å; H274-N278 PolarHBondContact O-N 3.45Å; H274-N278 PolarHBondContact O-ND2 3.32Å; H274-N278 PolarHBondContact O-OD1 3.16Å; I275-N278 PolarHBondContact O-N 3.48Å; V276-N278 PolarHBondContact O-N 2.87Å; N278-K281 PolarHBondContact O-N 2.9Å; N278-G282 PolarHBondContact O-N 2.8Å; N278-G282 VanDerWaalsContact O-N 3.16Å
279	V	92.7	Very high	89.1	Confident	14 Å²	14	79.8 Å²	79.8	9%	0.085	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-46.8	176.3	172.2	0	0	0	0	110.3	I275 V276 E277 K281 G282 T288 E291 L292	I275-V279 HydrophobicContact CG2-CG2 4.46Å; I275-V279 VanDerWaalsContact O-CG2 3.3Å; I275-V279 WeakPolarHBondContact O-CG2 3.39Å; I275-V279 PolarHBondContact O-N 3.35Å; V276-V279 PolarHBondContact O-N 3.3Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.89Å; V279-K281 PolarHBondContact O-N 3.39Å; V279-G282 PolarHBondContact O-N 3.14Å; V279-G282 VanDerWaalsContact O-N 3.09Å; V279-T288 HydrophobicContact CG1-CG2 3.79Å; V279-T288 VanDerWaalsContact CG1-O 3.29Å; V279-T288 WeakPolarHBondContact CG1-O 3.43Å; V279-T288 WeakPolarHBondContact O-CB 3.25Å; V279-T288 WeakPolarHBondContact O-CG2 3.29Å; V279-T288 PolarHBondContact O-OG1 3.34Å; V279-E291 HydrophobicContact CG1-CB 4.31Å; V279-E291 HydrophobicContact CG1-CG 4.49Å; V279-E291 WeakPolarHBondContact CG2-OE1 3.48Å; V279-L292 HydrophobicContact CB-CD2 4.06Å; V279-L292 HydrophobicContact CB-CG 4.5Å; V279-L292 HydrophobicContact CG1-CD1 4.25Å; V279-L292 HydrophobicContact CG1-CD2 3.78Å; V279-L292 HydrophobicContact CG1-CG 3.72Å
280	I	92.7	Very high	88.9	Confident	35 Å²	35	83.4 Å²	83.4	18%	0.179	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-41.2	177.2	-65.7	164.6	0	0	0	112.3	V276 E277 G282 L292 P320 Y331 P340	V276-I280 HydrophobicContact CG1-CD1 3.79Å; V276-I280 HydrophobicContact CG1-CG1 4.49Å; V276-I280 VanDerWaalsContact O-CG1 3.25Å; V276-I280 WeakPolarHBondContact O-CG1 3.34Å; V276-I280 PolarHBondContact O-N 3.05Å; E277-I280 PolarHBondContact O-N 3.35Å; I280-G282 PolarHBondContact O-N 3.32Å; I280-L292 HydrophobicContact CG1-CD1 3.9Å; I280-P320 HydrophobicContact CD1-CG 3.99Å; I280-Y331 HydrophobicContact CD1-CE2 3.87Å; I280-Y331 HydrophobicContact CG2-CE2 4.3Å; I280-P340 HydrophobicContact CD1-CB 3.88Å; I280-P340 HydrophobicContact CD1-CG 4.2Å
281	K	90.3	Very high	88.7	Confident	150 Å²	150	83.7 Å²	83.7	65%	0.652	38%	0.383	S	S	*	.	H	α-helix	trans	-72.4	-10.7	178.1	-71	167.5	-175.2	162.8	0	113	E277 N278 V279	E277-K281 WeakPolarHBondContact O-CB 3.38Å; E277-K281 VanDerWaalsContact O-CG 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.35Å; E277-K281 PolarHBondContact O-N 3.01Å; E277-K281 IonicContact OE2-NZ 3.17Å; E277-K281 PolarHBondContact OE2-NZ 3.46Å; N278-K281 PolarHBondContact O-N 2.9Å; V279-K281 PolarHBondContact O-N 3.39Å
282	G	86	Confident	88.8	Confident	30 Å²	30	78 Å²	78	31%	0.309	36%	0.362	S	S	.	.	S	Bend	trans	-59.3	149.8	179	0	0	0	0	0	113.4	N278 V279 I280 Y284	N278-G282 PolarHBondContact O-N 2.8Å; N278-G282 VanDerWaalsContact O-N 3.16Å; V279-G282 PolarHBondContact O-N 3.14Å; V279-G282 VanDerWaalsContact O-N 3.09Å; I280-G282 PolarHBondContact O-N 3.32Å; G282-Y284 VanDerWaalsContact C-N 3.29Å; G282-Y284 PolarHBondContact O-N 3.39Å
283	K	77	Confident	88.8	Confident	200 Å²	200	75.9 Å²	75.9	87%	0.87	35%	0.347	S	S	*	.	S	Bend	trans	-66.8	-26.6	-178.3	-67.5	-176.5	178.3	-179.8	0	113.6
284	Y	75	Confident	88.8	Confident	170 Å²	170	78.4 Å²	78.4	67%	0.667	37%	0.37	S	S	*	.			trans	-102.9	73.6	-171.3	-61.2	-73.9	0	0	0	112.6	G282 Q286 R287 T288	G282-Y284 VanDerWaalsContact C-N 3.29Å; G282-Y284 PolarHBondContact O-N 3.39Å; Y284-Q286 VanDerWaalsContact C-N 3.29Å; Y284-Q286 PolarHBondContact O-N 3.16Å; Y284-R287 PolarHBondContact O-N 3.34Å; Y284-R287 VanDerWaalsContact O-N 3.07Å; Y284-T288 WeakPolarHBondContact O-CB 3.45Å; Y284-T288 PolarHBondContact O-N 3.28Å; Y284-T288 PolarHBondContact O-OG1 2.95Å
285	K	74.8	Confident	88.8	Confident	150 Å²	150	73.7 Å²	73.7	65%	0.652	35%	0.349	S	S	*	.	H	α-helix	trans	-45.8	-43.1	-173.8	-66.6	-171.2	177.9	-176.4	0	115.3	T288 F289	K285-T288 VanDerWaalsContact O-CB 3.26Å; K285-T288 WeakPolarHBondContact O-CB 3.41Å; K285-T288 PolarHBondContact O-N 2.9Å; K285-F289 HydrophobicContact CB-CE2 4.03Å; K285-F289 HydrophobicContact CB-CZ 4.18Å; K285-F289 WeakPolarHBondContact O-CD2 3.35Å; K285-F289 WeakPolarHBondContact O-CE2 3.48Å; K285-F289 VanDerWaalsContact O-CG 3.27Å; K285-F289 WeakPolarHBondContact O-CG 3.44Å; K285-F289 PolarHBondContact O-N 2.83Å
286	Q	74.1	Confident	89	Confident	65 Å²	65	70.8 Å²	70.8	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-45.5	-178.3	-174.1	56.9	47	0	0	112.8	Y284 T288 F289 E290	Y284-Q286 VanDerWaalsContact C-N 3.29Å; Y284-Q286 PolarHBondContact O-N 3.16Å; Q286-T288 VanDerWaalsContact C-N 3.29Å; Q286-F289 PolarHBondContact O-N 2.98Å; Q286-E290 PolarHBondContact NE2-OE1 3.33Å; Q286-E290 PolarHBondContact O-N 3.18Å
287	R	77.4	Confident	89.1	Confident	185 Å²	185	71.1 Å²	71.1	70%	0.698	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-37.3	175.5	-69.8	-174.3	-179.4	-177.5	-0.1	111	Y284 F289 E290 E291	Y284-R287 PolarHBondContact O-N 3.34Å; Y284-R287 VanDerWaalsContact O-N 3.07Å; R287-F289 VanDerWaalsContact C-N 3.34Å; R287-F289 PolarHBondContact O-N 3.33Å; R287-E290 PolarHBondContact O-N 2.88Å; R287-E291 PolarHBondContact O-N 3.18Å; R287-E291 VanDerWaalsContact O-N 3.09Å
288	T	83.9	Confident	89.3	Confident	10 Å²	10	69.2 Å²	69.2	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-54.4	-45.8	173.9	-77.9	0	0	0	0	111.9	V279 Y284 K285 Q286 L292	V279-T288 HydrophobicContact CG1-CG2 3.79Å; V279-T288 VanDerWaalsContact CG1-O 3.29Å; V279-T288 WeakPolarHBondContact CG1-O 3.43Å; V279-T288 WeakPolarHBondContact O-CB 3.25Å; V279-T288 WeakPolarHBondContact O-CG2 3.29Å; V279-T288 PolarHBondContact O-OG1 3.34Å; Y284-T288 WeakPolarHBondContact O-CB 3.45Å; Y284-T288 PolarHBondContact O-N 3.28Å; Y284-T288 PolarHBondContact O-OG1 2.95Å; K285-T288 VanDerWaalsContact O-CB 3.26Å; K285-T288 WeakPolarHBondContact O-CB 3.41Å; K285-T288 PolarHBondContact O-N 2.9Å; Q286-T288 VanDerWaalsContact C-N 3.29Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.11Å
289	F	90.9	Very high	89.5	Confident	12 Å²	12	66.9 Å²	66.9	5%	0.053	31%	0.314	C	S	.	.	H	α-helix	trans	-73.1	-37.9	-178.6	-55.6	-39.3	0	0	0	112.7	K285 Q286 R287 E291 L292 L293 R317 P319 Y342	K285-F289 HydrophobicContact CB-CE2 4.03Å; K285-F289 HydrophobicContact CB-CZ 4.18Å; K285-F289 WeakPolarHBondContact O-CD2 3.35Å; K285-F289 WeakPolarHBondContact O-CE2 3.48Å; K285-F289 VanDerWaalsContact O-CG 3.27Å; K285-F289 WeakPolarHBondContact O-CG 3.44Å; K285-F289 PolarHBondContact O-N 2.83Å; Q286-F289 PolarHBondContact O-N 2.98Å; R287-F289 VanDerWaalsContact C-N 3.34Å; R287-F289 PolarHBondContact O-N 3.33Å; F289-E291 VanDerWaalsContact C-N 3.3Å; F289-E291 PolarHBondContact O-N 3.19Å; F289-L292 PolarHBondContact O-N 2.97Å; F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 WeakPolarHBondContact O-CD1 3.47Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 3.41Å; F289-R317 VanDerWaalsContact CD2-C 3.43Å; F289-R317 WeakPolarHBondContact CE2-O 3.34Å; F289-P319 VanDerWaalsContact CE1-CA 3.46Å; F289-P319 HydrophobicContact CE1-CB 3.89Å; F289-P319 HydrophobicContact CZ-CB 4.24Å; F289-Y342 WeakPolarHBondContact CD1-OH 3.48Å
290	E	92.4	Very high	89.7	Confident	83 Å²	83	69.2 Å²	69.2	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-40.2	175	-76.4	161	-153.7	0	0	112.4	Q286 R287 L293 S294 R315	Q286-E290 PolarHBondContact NE2-OE1 3.33Å; Q286-E290 PolarHBondContact O-N 3.18Å; R287-E290 PolarHBondContact O-N 2.88Å; E290-L293 PolarHBondContact O-N 3.13Å; E290-S294 PolarHBondContact O-N 3.43Å; E290-R315 IonicContact OE1-CZ 3.2Å; E290-R315 IonicContact OE1-NE 2.83Å; E290-R315 IonicContact OE1-NH2 2.78Å; E290-R315 PolarHBondContact OE1-NH2 3.48Å
291	E	93.8	Very high	90	Very high	107 Å²	107	67.5 Å²	67.5	50%	0.5	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-46	175.2	-174.9	179.6	165.1	0	0	111.5	V279 R287 F289 S294	V279-E291 HydrophobicContact CG1-CB 4.31Å; V279-E291 HydrophobicContact CG1-CG 4.49Å; V279-E291 WeakPolarHBondContact CG2-OE1 3.48Å; R287-E291 PolarHBondContact O-N 3.18Å; R287-E291 VanDerWaalsContact O-N 3.09Å; F289-E291 VanDerWaalsContact C-N 3.3Å; F289-E291 PolarHBondContact O-N 3.19Å; E291-S294 PolarHBondContact O-N 2.99Å; E291-S294 PolarHBondContact O-OG 2.95Å
292	L	96.5	Very high	90.3	Very high	4 Å²	4	62 Å²	62	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-41.2	176.4	-62.9	177.5	0	0	0	111.8	I269 V276 V279 I280 T288 F289 S294 V295 D296 P320 Y342	I269-L292 HydrophobicContact CD1-CB 4.34Å; I269-L292 WeakPolarHBondContact CD1-O 3.37Å; I269-L292 HydrophobicContact CG2-CD2 4.43Å; V276-L292 HydrophobicContact CB-CD2 4.33Å; V276-L292 HydrophobicContact CG1-CD2 3.97Å; V276-L292 HydrophobicContact CG2-CD2 4.22Å; V279-L292 HydrophobicContact CB-CD2 4.06Å; V279-L292 HydrophobicContact CB-CG 4.5Å; V279-L292 HydrophobicContact CG1-CD1 4.25Å; V279-L292 HydrophobicContact CG1-CD2 3.78Å; V279-L292 HydrophobicContact CG1-CG 3.72Å; I280-L292 HydrophobicContact CG1-CD1 3.9Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.11Å; F289-L292 PolarHBondContact O-N 2.97Å; L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 3.39Å; L292-V295 WeakPolarHBondContact O-CG2 3.44Å; L292-V295 PolarHBondContact O-N 3.23Å; L292-D296 PolarHBondContact O-N 2.89Å; L292-P320 HydrophobicContact CD1-CG 4.04Å; L292-Y342 HydrophobicContact CB-CE2 4.05Å
293	L	96.8	Very high	90.8	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-24.9	-178.9	-67.6	167.1	0	0	0	112.6	F289 E290 V295 D296 L299 I316 Y342	F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 WeakPolarHBondContact O-CD1 3.47Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 3.41Å; E290-L293 PolarHBondContact O-N 3.13Å; L293-V295 PolarHBondContact O-N 2.77Å; L293-V295 VanDerWaalsContact O-N 3.11Å; L293-D296 WeakPolarHBondContact O-CB 3.39Å; L293-D296 PolarHBondContact O-N 3.05Å; L293-L299 HydrophobicContact CB-CD1 3.82Å; L293-L299 HydrophobicContact CD2-CD1 3.82Å; L293-L299 HydrophobicContact CG-CD1 4.31Å; L293-I316 HydrophobicContact CD1-CB 3.9Å; L293-I316 HydrophobicContact CD1-CG2 4.38Å; L293-I316 HydrophobicContact CD2-CB 4.24Å; L293-I316 HydrophobicContact CD2-CD1 3.71Å; L293-I316 HydrophobicContact CD2-CG2 4.44Å; L293-Y342 HydrophobicContact CD2-CD2 3.81Å; L293-Y342 HydrophobicContact CD2-CE2 3.71Å; L293-Y342 HydrophobicContact CG-CE2 4.2Å
294	S	96.1	Very high	91.8	Very high	90 Å²	90	61.2 Å²	61.2	63%	0.629	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.1	174.4	76.8	0	0	0	0	114	E290 E291 L292	E290-S294 PolarHBondContact O-N 3.43Å; E291-S294 PolarHBondContact O-N 2.99Å; E291-S294 PolarHBondContact O-OG 2.95Å; L292-S294 VanDerWaalsContact C-N 3.26Å; L292-S294 PolarHBondContact O-N 3.39Å
295	V	96.7	Very high	92.8	Very high	16 Å²	16	54.3 Å²	54.3	10%	0.097	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	18.5	-176.6	-62.1	0	0	0	0	111.6	I269 Q270 R271 L292 L293	I269-V295 HydrophobicContact CG2-CG2 3.98Å; Q270-V295 PolarHBondContact N-O 3.17Å; R271-V295 HydrophobicContact CG-CB 4.35Å; R271-V295 HydrophobicContact CG-CG1 4.45Å; R271-V295 HydrophobicContact CG-CG2 3.85Å; R271-V295 VanDerWaalsContact NH1-CG1 3.33Å; L292-V295 WeakPolarHBondContact O-CG2 3.44Å; L292-V295 PolarHBondContact O-N 3.23Å; L293-V295 PolarHBondContact O-N 2.77Å; L293-V295 VanDerWaalsContact O-N 3.11Å
296	D	98.1	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-80.1	128.6	175.2	179.8	71.1	0	0	0	110.7	I269 L292 L293 L298 L299 N300 R345	I269-D296 HydrophobicContact CD1-CB 3.83Å; L292-D296 PolarHBondContact O-N 2.89Å; L293-D296 WeakPolarHBondContact O-CB 3.39Å; L293-D296 PolarHBondContact O-N 3.05Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.06Å; D296-L298 WeakPolarHBondContact OD2-CB 3.31Å; D296-L298 PolarHBondContact OD2-N 3.4Å; D296-L299 HydrophobicContact CB-CB 4.37Å; D296-L299 HydrophobicContact CB-CD1 4.33Å; D296-L299 HydrophobicContact CB-CG 4.42Å; D296-L299 PolarHBondContact OD2-N 3.21Å; D296-L299 VanDerWaalsContact OD2-N 3.09Å; D296-N300 WeakPolarHBondContact O-CB 3.27Å; D296-N300 PolarHBondContact O-N 3.09Å; D296-R345 VanDerWaalsContact CG-NH1 3.34Å; D296-R345 IonicContact OD1-NH1 2.69Å; D296-R345 PolarHBondContact OD1-NH1 3.37Å; D296-R345 IonicContact OD2-CZ 3.77Å; D296-R345 IonicContact OD2-NH1 3.4Å; D296-R345 PolarHBondContact OD2-NH1 3.33Å; D296-R345 IonicContact OD2-NH2 3.55Å; D296-R345 PolarHBondContact OD2-NH2 3.02Å
297	E	98.2	Very high	95	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-38	-177.6	-77.4	173.1	165.9	0	0	113.6	F220 R223 F267 R268 Q270 A301	F220-E297 HydrophobicContact CD2-CB 4.01Å; F220-E297 HydrophobicContact CD2-CG 4.04Å; F220-E297 HydrophobicContact CE2-CB 4.13Å; F220-E297 HydrophobicContact CE2-CG 4.5Å; R223-E297 IonicContact CZ-OE2 3.37Å; R223-E297 IonicContact NE-OE2 3.89Å; R223-E297 IonicContact NH2-OE1 3.5Å; R223-E297 PolarHBondContact NH2-OE1 2.88Å; R223-E297 IonicContact NH2-OE2 3.39Å; R223-E297 PolarHBondContact NH2-OE2 3.4Å; F267-E297 HydrophobicContact CB-CB 4.1Å; F267-E297 HydrophobicContact CD1-CB 3.77Å; F267-E297 HydrophobicContact CG-CB 4.4Å; R268-E297 PolarHBondContact N-OE2 3.09Å; R268-E297 VanDerWaalsContact O-CG 3.26Å; R268-E297 WeakPolarHBondContact O-CG 3.25Å; R268-E297 PolarHBondContact O-N 3.03Å; Q270-E297 HydrophobicContact CG-CG 3.63Å; Q270-E297 VanDerWaalsContact NE2-CG 3.34Å; Q270-E297 PolarHBondContact NE2-OE1 2.88Å; E297-A301 VanDerWaalsContact O-CB 3.24Å; E297-A301 WeakPolarHBondContact O-CB 3.19Å; E297-A301 PolarHBondContact O-N 2.87Å
298	L	98.3	Very high	96	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-50.6	-177.8	176.9	56.8	0	0	0	110.2	L265 F267 D296 N300 A301 Q302 I307 F308 R345 L347	L265-L298 HydrophobicContact CD1-CD2 4.07Å; F267-L298 HydrophobicContact CB-CB 3.8Å; F267-L298 HydrophobicContact CD1-CB 4.27Å; F267-L298 HydrophobicContact CD2-CB 3.77Å; F267-L298 HydrophobicContact CD2-CD1 3.9Å; F267-L298 HydrophobicContact CD2-CD2 4.22Å; F267-L298 HydrophobicContact CD2-CG 4.18Å; F267-L298 HydrophobicContact CE2-CB 4.43Å; F267-L298 HydrophobicContact CE2-CD1 3.73Å; F267-L298 HydrophobicContact CG-CB 3.69Å; F267-L298 HydrophobicContact CG-CD1 4.49Å; F267-L298 HydrophobicContact CZ-CD1 4.18Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.06Å; D296-L298 WeakPolarHBondContact OD2-CB 3.31Å; D296-L298 PolarHBondContact OD2-N 3.4Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 2.69Å; L298-A301 PolarHBondContact O-N 3.48Å; L298-Q302 VanDerWaalsContact O-CB 3.32Å; L298-Q302 WeakPolarHBondContact O-CB 3.3Å; L298-Q302 PolarHBondContact O-N 3.2Å; L298-I307 HydrophobicContact CD1-CD1 3.77Å; L298-I307 HydrophobicContact CD1-CG1 4.4Å; L298-F308 HydrophobicContact CD1-CD2 3.68Å; L298-F308 HydrophobicContact CD1-CE2 3.99Å; L298-R345 HydrophobicContact CD2-CB 4.18Å; L298-R345 HydrophobicContact CD2-CG 3.83Å; L298-L347 HydrophobicContact CD2-CD1 4.23Å; L298-L347 HydrophobicContact CD2-CD2 4.35Å
299	L	97.7	Very high	96.4	Very high	50 Å²	50	44.5 Å²	44.5	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-38.8	179.3	-67.6	179.1	0	0	0	112	L293 D296 S303	L293-L299 HydrophobicContact CB-CD1 3.82Å; L293-L299 HydrophobicContact CD2-CD1 3.82Å; L293-L299 HydrophobicContact CG-CD1 4.31Å; D296-L299 HydrophobicContact CB-CB 4.37Å; D296-L299 HydrophobicContact CB-CD1 4.33Å; D296-L299 HydrophobicContact CB-CG 4.42Å; D296-L299 PolarHBondContact OD2-N 3.21Å; D296-L299 VanDerWaalsContact OD2-N 3.09Å; L299-S303 WeakPolarHBondContact O-CB 3.31Å; L299-S303 PolarHBondContact O-N 3.34Å; L299-S303 PolarHBondContact O-OG 3.38Å
300	N	97.6	Very high	96.6	Very high	63 Å²	63	48.6 Å²	48.6	34%	0.337	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-43.5	174.9	-179.9	64.7	0	0	0	112.3	D296 L298 Q302 S303 Q304	D296-N300 WeakPolarHBondContact O-CB 3.27Å; D296-N300 PolarHBondContact O-N 3.09Å; L298-N300 VanDerWaalsContact C-N 3.3Å; L298-N300 PolarHBondContact O-N 2.69Å; N300-Q302 VanDerWaalsContact C-N 3.3Å; N300-Q302 PolarHBondContact O-N 2.61Å; N300-S303 PolarHBondContact O-N 2.96Å; N300-S303 PolarHBondContact O-OG 3.27Å; N300-Q304 PolarHBondContact ND2-NE2 3.11Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.16Å; N300-Q304 WeakPolarHBondContact O-CB 3.47Å; N300-Q304 VanDerWaalsContact O-CG 3.26Å; N300-Q304 WeakPolarHBondContact O-CG 3.3Å; N300-Q304 PolarHBondContact O-N 3.05Å; N300-Q304 VanDerWaalsContact O-N 3.12Å; N300-Q304 PolarHBondContact OD1-NE2 3.26Å
301	A	97.9	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-35.9	177.4	0	0	0	0	0	112.3	F220 E297 L298 G305 I306 I307	F220-A301 HydrophobicContact CE2-CB 3.92Å; F220-A301 HydrophobicContact CZ-CB 3.8Å; E297-A301 VanDerWaalsContact O-CB 3.24Å; E297-A301 WeakPolarHBondContact O-CB 3.19Å; E297-A301 PolarHBondContact O-N 2.87Å; L298-A301 PolarHBondContact O-N 3.48Å; A301-G305 PolarHBondContact O-N 2.83Å; A301-I306 WeakPolarHBondContact O-CB 3.37Å; A301-I306 PolarHBondContact O-N 2.98Å; A301-I307 HydrophobicContact CB-CD1 3.77Å; A301-I307 HydrophobicContact CB-CG1 3.76Å
302	Q	97.9	Very high	97	Very high	34 Å²	34	44.7 Å²	44.7	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-43	176.6	-169.9	178.6	20.9	0	0	112	L298 N300 Q304 G305 I307 F308 F311	L298-Q302 VanDerWaalsContact O-CB 3.32Å; L298-Q302 WeakPolarHBondContact O-CB 3.3Å; L298-Q302 PolarHBondContact O-N 3.2Å; N300-Q302 VanDerWaalsContact C-N 3.3Å; N300-Q302 PolarHBondContact O-N 2.61Å; Q302-Q304 VanDerWaalsContact C-N 3.28Å; Q302-Q304 PolarHBondContact O-N 3.32Å; Q302-G305 WeakPolarHBondContact O-CA 3.35Å; Q302-G305 PolarHBondContact O-N 3.11Å; Q302-I307 WeakPolarHBondContact CA-O 3.22Å; Q302-F308 HydrophobicContact CG-CB 4.23Å; Q302-F308 PolarHBondContact NE2-O 3.1Å; Q302-F311 PolarHBondContact NE2-O 2.7Å
303	S	96.6	Very high	97.1	Very high	96 Å²	96	46.2 Å²	46.2	67%	0.671	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-30.1	178	72.8	0	0	0	0	113	L299 N300 G305	L299-S303 WeakPolarHBondContact O-CB 3.31Å; L299-S303 PolarHBondContact O-N 3.34Å; L299-S303 PolarHBondContact O-OG 3.38Å; N300-S303 PolarHBondContact O-N 2.96Å; N300-S303 PolarHBondContact O-OG 3.27Å; S303-G305 PolarHBondContact O-N 2.63Å
304	Q	97	Very high	97.1	Very high	117 Å²	117	45.5 Å²	45.5	55%	0.547	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.7	171.6	-67.2	179.7	13	0	0	113.3	N300 Q302 I306	N300-Q304 PolarHBondContact ND2-NE2 3.11Å; N300-Q304 VanDerWaalsContact ND2-NE2 3.16Å; N300-Q304 WeakPolarHBondContact O-CB 3.47Å; N300-Q304 VanDerWaalsContact O-CG 3.26Å; N300-Q304 WeakPolarHBondContact O-CG 3.3Å; N300-Q304 PolarHBondContact O-N 3.05Å; N300-Q304 VanDerWaalsContact O-N 3.12Å; N300-Q304 PolarHBondContact OD1-NE2 3.26Å; Q302-Q304 VanDerWaalsContact C-N 3.28Å; Q302-Q304 PolarHBondContact O-N 3.32Å; Q304-I306 VanDerWaalsContact C-N 3.33Å; Q304-I306 HydrophobicContact CB-CD1 4Å; Q304-I306 HydrophobicContact CB-CG1 3.95Å; Q304-I306 PolarHBondContact O-N 3.2Å
305	G	96.4	Very high	97.1	Very high	25 Å²	25	48 Å²	48	26%	0.258	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	22.4	-179.5	0	0	0	0	0	114.6	A301 Q302 S303 Q309	A301-G305 PolarHBondContact O-N 2.83Å; Q302-G305 WeakPolarHBondContact O-CA 3.35Å; Q302-G305 PolarHBondContact O-N 3.11Å; S303-G305 PolarHBondContact O-N 2.63Å; G305-Q309 VanDerWaalsContact O-CD 3.22Å; G305-Q309 WeakPolarHBondContact O-CG 3.39Å; G305-Q309 PolarHBondContact O-NE2 3.42Å
306	I	96.6	Very high	97.1	Very high	68 Å²	68	47.4 Å²	47.4	35%	0.349	25%	0.247	S	C	.	.	S	Bend	trans	-78.7	-41	-177.5	-58.1	173.7	0	0	0	110.7	V224 A301 Q304	V224-I306 HydrophobicContact CG1-CG2 3.73Å; V224-I306 HydrophobicContact CG2-CG2 4.3Å; A301-I306 WeakPolarHBondContact O-CB 3.37Å; A301-I306 PolarHBondContact O-N 2.98Å; Q304-I306 VanDerWaalsContact C-N 3.33Å; Q304-I306 HydrophobicContact CB-CD1 4Å; Q304-I306 HydrophobicContact CB-CG1 3.95Å; Q304-I306 PolarHBondContact O-N 3.2Å
307	I	97.9	Very high	96.9	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-142.6	156.1	-175.8	57.9	178	0	0	0	110	V224 Y227 F267 L298 A301 Q302 Q309	V224-I307 HydrophobicContact CB-CG2 4.38Å; V224-I307 HydrophobicContact CG1-CG2 3.88Å; V224-I307 HydrophobicContact CG2-CG2 4.3Å; Y227-I307 HydrophobicContact CD1-CB 3.62Å; Y227-I307 HydrophobicContact CD1-CG2 3.28Å; Y227-I307 HydrophobicContact CE1-CB 3.74Å; Y227-I307 HydrophobicContact CE1-CG2 3.79Å; Y227-I307 HydrophobicContact CG-CB 4.07Å; Y227-I307 HydrophobicContact CG-CG2 3.89Å; F267-I307 HydrophobicContact CE1-CD1 3.9Å; F267-I307 HydrophobicContact CE2-CD1 4.12Å; F267-I307 HydrophobicContact CZ-CD1 3.36Å; L298-I307 HydrophobicContact CD1-CD1 3.77Å; L298-I307 HydrophobicContact CD1-CG1 4.4Å; A301-I307 HydrophobicContact CB-CD1 3.77Å; A301-I307 HydrophobicContact CB-CG1 3.76Å; Q302-I307 WeakPolarHBondContact CA-O 3.22Å; I307-Q309 PolarHBondContact O-N 3.28Å
308	F	97.8	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.			trans	55.2	28.3	172.2	-64.7	-75.5	0	0	0	115.3	F213 Y227 W261 L265 L298 Q302 N310 F311 L347	F213-F308 HydrophobicContact CE2-CE2 4.47Å; F213-F308 HydrophobicContact CE2-CZ 4.43Å; Y227-F308 HydrophobicContact CD2-CD1 4.19Å; Y227-F308 AromaticContact CD2-CD2 3.96Å; Y227-F308 HydrophobicContact CD2-CD2 3.96Å; Y227-F308 AromaticContact CD2-CE1 3.74Å; Y227-F308 HydrophobicContact CD2-CE1 3.74Å; Y227-F308 AromaticContact CD2-CE2 3.48Å; Y227-F308 HydrophobicContact CD2-CE2 3.48Å; Y227-F308 VanDerWaalsContact CD2-CE2 3.48Å; Y227-F308 HydrophobicContact CD2-CG 4.29Å; Y227-F308 AromaticContact CD2-CZ 3.36Å; Y227-F308 HydrophobicContact CD2-CZ 3.36Å; Y227-F308 AromaticContact CE2-CD1 3.59Å; Y227-F308 HydrophobicContact CE2-CD1 3.59Å; Y227-F308 AromaticContact CE2-CD2 3.95Å; Y227-F308 HydrophobicContact CE2-CD2 3.95Å; Y227-F308 AromaticContact CE2-CE1 3.51Å; Y227-F308 HydrophobicContact CE2-CE1 3.51Å; Y227-F308 AromaticContact CE2-CE2 3.87Å; Y227-F308 HydrophobicContact CE2-CE2 3.87Å; Y227-F308 AromaticContact CE2-CG 3.82Å; Y227-F308 HydrophobicContact CE2-CG 3.82Å; Y227-F308 AromaticContact CE2-CZ 3.65Å; Y227-F308 HydrophobicContact CE2-CZ 3.65Å; Y227-F308 HydrophobicContact CG-CE2 4.17Å; Y227-F308 HydrophobicContact CG-CZ 4.42Å; Y227-F308 VanDerWaalsContact CZ-N 3.34Å; Y227-F308 PolarHBondContact OH-N 2.88Å; Y227-F308 VanDerWaalsContact OH-N 3.13Å; W261-F308 HydrophobicContact CB-CE1 4.34Å; W261-F308 AromaticContact CD2-CE1 3.7Å; W261-F308 HydrophobicContact CD2-CE1 3.7Å; W261-F308 HydrophobicContact CD2-CZ 4.17Å; W261-F308 AromaticContact CE3-CE1 3.97Å; W261-F308 HydrophobicContact CE3-CE1 3.97Å; W261-F308 AromaticContact CG-CE1 3.86Å; W261-F308 HydrophobicContact CG-CE1 3.86Å; W261-F308 HydrophobicContact CG-CZ 4.35Å; W261-F308 HydrophobicContact CZ2-CZ 4.44Å; L265-F308 HydrophobicContact CD1-CE2 4.33Å; L265-F308 HydrophobicContact CD1-CZ 4.14Å; L298-F308 HydrophobicContact CD1-CD2 3.68Å; L298-F308 HydrophobicContact CD1-CE2 3.99Å; Q302-F308 HydrophobicContact CG-CB 4.23Å; Q302-F308 PolarHBondContact NE2-O 3.1Å; F308-N310 VanDerWaalsContact C-N 3.26Å; F308-N310 PolarHBondContact O-N 2.69Å; F308-N310 VanDerWaalsContact O-N 3.13Å; F308-F311 HydrophobicContact CB-CB 4.13Å; F308-F311 HydrophobicContact CB-CD2 4.4Å; F308-F311 HydrophobicContact CB-CG 4.48Å; F308-F311 HydrophobicContact CD1-CB 4.28Å; F308-F311 HydrophobicContact CD1-CD1 4.31Å; F308-F311 AromaticContact CD1-CD2 3.85Å; F308-F311 HydrophobicContact CD1-CD2 3.85Å; F308-F311 HydrophobicContact CD1-CE2 4.26Å; F308-F311 AromaticContact CD1-CG 3.88Å; F308-F311 HydrophobicContact CD1-CG 3.88Å; F308-F311 PolarHBondContact O-N 2.78Å; F308-L347 HydrophobicContact CB-CD2 4.06Å; F308-L347 HydrophobicContact CD1-CD2 3.94Å; F308-L347 HydrophobicContact CD2-CD2 4.42Å; F308-L347 HydrophobicContact CE1-CD1 4.3Å; F308-L347 HydrophobicContact CE1-CD2 4.47Å; F308-L347 HydrophobicContact CG-CD2 3.91Å; F308-L347 HydrophobicContact CZ-CD1 4.44Å
309	Q	93.6	Very high	96.6	Very high	134 Å²	134	56.1 Å²	56.1	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.4	-175	-70.8	178.7	45.8	0	0	114.7	G305 I307	G305-Q309 VanDerWaalsContact O-CD 3.22Å; G305-Q309 WeakPolarHBondContact O-CG 3.39Å; G305-Q309 PolarHBondContact O-NE2 3.42Å; I307-Q309 PolarHBondContact O-N 3.28Å
310	N	94.1	Very high	96.6	Very high	98 Å²	98	53.8 Å²	53.8	52%	0.524	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.2	-177.2	-64.4	-22.3	0	0	0	113.3	F308 M349	F308-N310 VanDerWaalsContact C-N 3.26Å; F308-N310 PolarHBondContact O-N 2.69Å; F308-N310 VanDerWaalsContact O-N 3.13Å; N310-M349 HydrophobicContact CB-CG 4.34Å; N310-M349 HydrophobicContact CB-SD 3.77Å; N310-M349 VanDerWaalsContact O-CG 3.31Å; N310-M349 WeakPolarHBondContact O-CG 3.34Å
311	F	98.1	Very high	96.6	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.031	26%	0.256	C	S	.	.			trans	-94.1	146.4	178.7	-76.7	-104.3	0	0	0	110.4	L253 V259 W261 Q302 F308 L347 F348 M349	L253-F311 HydrophobicContact CD1-CE2 3.73Å; L253-F311 HydrophobicContact CD1-CZ 3.9Å; V259-F311 HydrophobicContact CB-CE1 4.27Å; V259-F311 HydrophobicContact CB-CZ 4.22Å; V259-F311 HydrophobicContact CG1-CE1 3.94Å; V259-F311 HydrophobicContact CG1-CZ 3.81Å; W261-F311 HydrophobicContact CB-CE1 3.91Å; W261-F311 HydrophobicContact CE3-CZ 4.12Å; Q302-F311 PolarHBondContact NE2-O 2.7Å; F308-F311 HydrophobicContact CB-CB 4.13Å; F308-F311 HydrophobicContact CB-CD2 4.4Å; F308-F311 HydrophobicContact CB-CG 4.48Å; F308-F311 HydrophobicContact CD1-CB 4.28Å; F308-F311 HydrophobicContact CD1-CD1 4.31Å; F308-F311 AromaticContact CD1-CD2 3.85Å; F308-F311 HydrophobicContact CD1-CD2 3.85Å; F308-F311 HydrophobicContact CD1-CE2 4.26Å; F308-F311 AromaticContact CD1-CG 3.88Å; F308-F311 HydrophobicContact CD1-CG 3.88Å; F308-F311 PolarHBondContact O-N 2.78Å; F311-L347 HydrophobicContact CB-CB 4.11Å; F311-L347 HydrophobicContact CB-CD2 4.2Å; F311-L347 HydrophobicContact CD1-CB 3.76Å; F311-L347 HydrophobicContact CG-CB 4.3Å; F311-F348 CarbonylContact C-O 3.55Å; F311-F348 VanDerWaalsContact CA-O 3.28Å; F311-F348 WeakPolarHBondContact CA-O 3.49Å; F311-M349 HydrophobicContact CD1-CB 3.95Å; F311-M349 HydrophobicContact CD2-CB 4.28Å; F311-M349 HydrophobicContact CE1-CB 3.93Å; F311-M349 HydrophobicContact CE2-CB 4.27Å; F311-M349 HydrophobicContact CE2-SD 4.19Å; F311-M349 HydrophobicContact CG-CB 4.12Å; F311-M349 HydrophobicContact CZ-CB 4.09Å
312	D	97.8	Very high	96.6	Very high	102 Å²	102	51.9 Å²	51.9	55%	0.545	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	160.1	165.7	-67.8	-51.6	0	0	0	109.4	L347 F348	D312-L347 CarbonylContact O-C 3.59Å; D312-L347 WeakPolarHBondContact O-CA 3.39Å; D312-F348 HydrophobicContact CB-CD1 4.33Å; D312-F348 HydrophobicContact CB-CD2 4.1Å; D312-F348 HydrophobicContact CB-CE1 3.8Å; D312-F348 HydrophobicContact CB-CE2 3.54Å; D312-F348 HydrophobicContact CB-CG 4.49Å; D312-F348 HydrophobicContact CB-CZ 3.38Å; D312-F348 PolarHBondContact N-O 3.12Å; D312-F348 VanDerWaalsContact O-CD1 3.28Å; D312-F348 WeakPolarHBondContact O-CD1 3.43Å; D312-F348 PolarHBondContact O-N 2.87Å
313	E	98.2	Very high	96.6	Very high	35 Å²	35	52.7 Å²	52.7	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.6	169.9	-172.7	177.3	-163.6	0	0	109.4	R345 Y361	E313-R345 IonicContact OE1-CZ 3.51Å; E313-R345 IonicContact OE1-NE 3.56Å; E313-R345 PolarHBondContact OE1-NE 3.09Å; E313-R345 IonicContact OE1-NH2 3.89Å; E313-R345 IonicContact OE2-CZ 3.45Å; E313-R345 IonicContact OE2-NE 3.39Å; E313-R345 PolarHBondContact OE2-NE 3.41Å; E313-R345 IonicContact OE2-NH2 3.9Å; E313-R345 PolarHBondContact OE2-NH2 2.72Å; E313-Y361 HydrophobicContact CG-CE1 3.66Å; E313-Y361 WeakPolarHBondContact OE1-CE1 3.39Å; E313-Y361 PolarHBondContact OE1-OH 3.13Å
314	G	97.2	Very high	96.7	Very high	10 Å²	10	48.6 Å²	48.6	10%	0.103	23%	0.233	C	C	.	.			trans	-58.5	152.4	171.5	0	0	0	0	0	111.2	I316 Y361	G314-I316 PolarHBondContact O-N 3.19Å; G314-I316 VanDerWaalsContact O-N 3.11Å; G314-Y361 VanDerWaalsContact C-CD1 3.43Å; G314-Y361 WeakPolarHBondContact O-CD1 3.39Å; G314-Y361 WeakPolarHBondContact O-CE1 3.27Å
315	R	95.8	Very high	96.8	Very high	142 Å²	142	44.7 Å²	44.7	54%	0.536	22%	0.216	S	C	.	.			trans	-68.1	114.7	175.3	-176.7	171.9	179	178.7	1.2	110.1	E290 R317	E290-R315 IonicContact OE1-CZ 3.2Å; E290-R315 IonicContact OE1-NE 2.83Å; E290-R315 IonicContact OE1-NH2 2.78Å; E290-R315 PolarHBondContact OE1-NH2 3.48Å; R315-R317 HydrophobicContact CG-CG 4.3Å; R315-R317 PolarHBondContact O-N 3.21Å
316	I	96.6	Very high	96.8	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.227	C	C	.	.			trans	-66.4	119.1	175.9	-63.8	170.6	0	0	0	109.5	L293 G314 F318 Y342 Y361	L293-I316 HydrophobicContact CD1-CB 3.9Å; L293-I316 HydrophobicContact CD1-CG2 4.38Å; L293-I316 HydrophobicContact CD2-CB 4.24Å; L293-I316 HydrophobicContact CD2-CD1 3.71Å; L293-I316 HydrophobicContact CD2-CG2 4.44Å; G314-I316 PolarHBondContact O-N 3.19Å; G314-I316 VanDerWaalsContact O-N 3.11Å; I316-F318 HydrophobicContact CB-CE1 4.28Å; I316-F318 HydrophobicContact CB-CZ 4.43Å; I316-F318 HydrophobicContact CG1-CE1 4.17Å; I316-F318 HydrophobicContact CG1-CZ 4.03Å; I316-F318 HydrophobicContact CG2-CD1 4.02Å; I316-F318 HydrophobicContact CG2-CD2 4.12Å; I316-F318 HydrophobicContact CG2-CE1 3.93Å; I316-F318 HydrophobicContact CG2-CE2 4Å; I316-F318 HydrophobicContact CG2-CG 4.15Å; I316-F318 HydrophobicContact CG2-CZ 3.92Å; I316-Y342 HydrophobicContact CD1-CG 4.46Å; I316-Y342 HydrophobicContact CG2-CD1 4.02Å; I316-Y342 HydrophobicContact CG2-CE1 3.65Å; I316-Y361 HydrophobicContact CD1-CE1 4.21Å; I316-Y361 HydrophobicContact CG1-CD1 3.99Å; I316-Y361 HydrophobicContact CG1-CE1 3.42Å; I316-Y361 VanDerWaalsContact CG1-CE1 3.42Å
317	R	93.8	Very high	96.7	Very high	152 Å²	152	50.6 Å²	50.6	57%	0.574	24%	0.242	S	C	*	.			trans	-124.9	21.2	176	-59.2	-175	-174.1	149	1.2	112.6	F289 R315	F289-R317 VanDerWaalsContact CD2-C 3.43Å; F289-R317 WeakPolarHBondContact CE2-O 3.34Å; R315-R317 HydrophobicContact CG-CG 4.3Å; R315-R317 PolarHBondContact O-N 3.21Å
318	F	95.3	Very high	96.7	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	25%	0.251	C	S	.	.	S	Bend	trans	-122.7	157.6	-178.9	52	-91.5	0	0	0	110	I316 T321 Y342 Y361 N362 S363 V375	I316-F318 HydrophobicContact CB-CE1 4.28Å; I316-F318 HydrophobicContact CB-CZ 4.43Å; I316-F318 HydrophobicContact CG1-CE1 4.17Å; I316-F318 HydrophobicContact CG1-CZ 4.03Å; I316-F318 HydrophobicContact CG2-CD1 4.02Å; I316-F318 HydrophobicContact CG2-CD2 4.12Å; I316-F318 HydrophobicContact CG2-CE1 3.93Å; I316-F318 HydrophobicContact CG2-CE2 4Å; I316-F318 HydrophobicContact CG2-CG 4.15Å; I316-F318 HydrophobicContact CG2-CZ 3.92Å; F318-T321 HydrophobicContact CD2-CG2 3.98Å; F318-T321 HydrophobicContact CE2-CG2 3.93Å; F318-Y342 HydrophobicContact CD2-CE1 4.46Å; F318-Y342 HydrophobicContact CE2-CD1 4.25Å; F318-Y342 VanDerWaalsContact O-CE1 3.27Å; F318-Y342 WeakPolarHBondContact O-CE1 3.31Å; F318-Y342 PolarHBondContact O-OH 3.36Å; F318-Y361 AromaticContact CE1-CD1 3.99Å; F318-Y361 HydrophobicContact CE1-CD1 3.99Å; F318-Y361 HydrophobicContact CE1-CD2 4.23Å; F318-Y361 HydrophobicContact CE1-CE1 4.13Å; F318-Y361 HydrophobicContact CE1-CE2 4.32Å; F318-Y361 HydrophobicContact CE1-CG 4.09Å; F318-Y361 HydrophobicContact CZ-CD1 4.46Å; F318-Y361 HydrophobicContact CZ-CE1 4.15Å; F318-Y361 HydrophobicContact CZ-CE2 4.18Å; F318-Y361 AromaticContact CZ-CZ 3.98Å; F318-N362 WeakPolarHBondContact CB-OD1 3.27Å; F318-N362 VanDerWaalsContact CD1-CA 3.46Å; F318-S363 WeakPolarHBondContact CB-OG 3.18Å; F318-V375 HydrophobicContact CE2-CG2 4.17Å; F318-V375 HydrophobicContact CZ-CG1 3.93Å; F318-V375 HydrophobicContact CZ-CG2 4.41Å
319	P	95.6	Very high	96.6	Very high	36 Å²	36	55.8 Å²	55.8	23%	0.234	27%	0.272	C	S	.	.			trans	-71.2	163.8	177.5	31.2	-36.3	0	0	0	112	F289 T321 Y342	F289-P319 VanDerWaalsContact CE1-CA 3.46Å; F289-P319 HydrophobicContact CE1-CB 3.89Å; F289-P319 HydrophobicContact CZ-CB 4.24Å; P319-T321 PolarHBondContact O-N 3.09Å; P319-Y342 VanDerWaalsContact C-CE1 3.46Å
320	P	97.4	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.			trans	-50.1	136.9	175.1	-30.1	37.7	0	0	0	113.7	I280 L292 F324 Y331 P340 Y342	I280-P320 HydrophobicContact CD1-CG 3.99Å; L292-P320 HydrophobicContact CD1-CG 4.04Å; P320-F324 WeakPolarHBondContact O-CZ 3.29Å; P320-Y331 PolarHBondContact O-OH 2.96Å; P320-Y331 VanDerWaalsContact O-OH 3.1Å; P320-P340 HydrophobicContact CB-CB 3.82Å; P320-P340 HydrophobicContact CG-CB 4.13Å; P320-Y342 HydrophobicContact CB-CD1 4.42Å; P320-Y342 HydrophobicContact CB-CE1 4.28Å; P320-Y342 HydrophobicContact CG-CD1 4.48Å; P320-Y342 HydrophobicContact CG-CE1 3.94Å; P320-Y342 HydrophobicContact CG-CE2 4.14Å; P320-Y342 VanDerWaalsContact N-CE1 3.31Å
321	T	97.6	Very high	96.9	Very high	1 Å²	1	50 Å²	50	1%	0.006	25%	0.246	C	C	.	.			trans	-95.9	-1.2	-170.8	53.9	0	0	0	0	114.4	F318 P319 F324 S341 H372 R373 V375	F318-T321 HydrophobicContact CD2-CG2 3.98Å; F318-T321 HydrophobicContact CE2-CG2 3.93Å; P319-T321 PolarHBondContact O-N 3.09Å; T321-F324 WeakPolarHBondContact O-CE2 3.39Å; T321-S341 PolarHBondContact N-O 3.09Å; T321-H372 CarbonylContact O-C 3.4Å; T321-H372 WeakPolarHBondContact O-CA 3.16Å; T321-R373 HydrophobicContact CG2-CB 4.1Å; T321-R373 PolarHBondContact O-N 2.67Å; T321-V375 HydrophobicContact CG2-CG2 3.69Å
322	Y	98.3	Very high	96.8	Very high	23 Å²	23	49.8 Å²	49.8	9%	0.09	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-141.9	146.1	177.3	170.5	-89	0	0	0	110	R338 P340 S341 T343 H372	Y322-R338 HydrophobicContact CE1-CB 4.25Å; Y322-R338 HydrophobicContact CE1-CG 4.49Å; Y322-P340 CarbonylContact O-C 3.59Å; Y322-P340 WeakPolarHBondContact O-CA 3.35Å; Y322-S341 PolarHBondContact N-O 2.88Å; Y322-S341 PolarHBondContact O-N 3.09Å; Y322-T343 WeakPolarHBondContact CB-OG1 3.48Å; Y322-T343 HydrophobicContact CD1-CG2 3.91Å; Y322-T343 HydrophobicContact CG-CG2 4.03Å; Y322-H372 AromaticContact CD2-CD2 3.55Å; Y322-H372 AromaticContact CD2-CE1 3.27Å; Y322-H372 WeakPolarHBondContact CD2-CE1 3.04Å; Y322-H372 AromaticContact CD2-CG 3.93Å; Y322-H372 AromaticContact CD2-ND1 3.76Å; Y322-H372 AromaticContact CD2-NE2 3.09Å; Y322-H372 WeakPolarHBondContact CD2-NE2 3.41Å; Y322-H372 AromaticContact CE2-CE1 3.91Å; Y322-H372 AromaticContact CE2-NE2 3.39Å; Y322-H372 WeakPolarHBondContact CE2-NE2 3.48Å; Y322-H372 AromaticContact CG-CE1 3.85Å
323	K	97.9	Very high	96.7	Very high	50 Å²	50	48.7 Å²	48.7	22%	0.217	25%	0.245	C	C	.	.			cis	-111	132.5	-3.7	-176.3	177.5	163.5	116.4	0	109.3	Y331 D332 R338 D371	K323-Y331 CarbonylContact O-C 3.56Å; K323-Y331 VanDerWaalsContact O-CA 3.32Å; K323-Y331 WeakPolarHBondContact O-CA 3.48Å; K323-Y331 WeakPolarHBondContact O-CD1 3.43Å; K323-D332 HydrophobicContact CB-CB 4.02Å; K323-D332 HydrophobicContact CD-CB 4.14Å; K323-D332 HydrophobicContact CG-CB 4.14Å; K323-D332 PolarHBondContact O-N 3.41Å; K323-R338 HydrophobicContact CB-CB 4.29Å; K323-R338 HydrophobicContact CD-CG 4.3Å; K323-D371 WeakPolarHBondContact CA-O 3.2Å; K323-D371 VanDerWaalsContact CE-OD2 3.31Å; K323-D371 WeakPolarHBondContact CE-OD2 3.27Å; K323-D371 HydrophobicContact CG-CB 3.82Å; K323-D371 IonicContact NZ-OD2 2.77Å; K323-D371 PolarHBondContact NZ-OD2 2.95Å
324	F	98.2	Very high	96.7	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.044	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-101.7	153.6	175.7	-66	-84.9	0	0	0	112.1	P320 T321 V330 Y331 D371 R373	P320-F324 WeakPolarHBondContact O-CZ 3.29Å; T321-F324 WeakPolarHBondContact O-CE2 3.39Å; F324-V330 CarbonylContact C-O 3.59Å; F324-V330 WeakPolarHBondContact CA-O 3.37Å; F324-Y331 HydrophobicContact CD1-CD1 4.03Å; F324-Y331 HydrophobicContact CD1-CE1 4.15Å; F324-Y331 AromaticContact CE1-CD1 3.77Å; F324-Y331 HydrophobicContact CE1-CD1 3.77Å; F324-Y331 AromaticContact CE1-CE1 3.43Å; F324-Y331 HydrophobicContact CE1-CE1 3.43Å; F324-Y331 VanDerWaalsContact CE1-CE1 3.43Å; F324-Y331 HydrophobicContact CE1-CE2 4.41Å; F324-Y331 HydrophobicContact CE1-CG 4.39Å; F324-Y331 AromaticContact CE1-CZ 3.8Å; F324-Y331 HydrophobicContact CE2-CD1 4.48Å; F324-Y331 AromaticContact CE2-CE1 3.91Å; F324-Y331 HydrophobicContact CE2-CE1 3.91Å; F324-Y331 HydrophobicContact CZ-CD1 4.01Å; F324-Y331 AromaticContact CZ-CE1 3.3Å; F324-Y331 HydrophobicContact CZ-CE1 3.3Å; F324-Y331 AromaticContact CZ-CZ 3.74Å; F324-D371 PolarHBondContact N-O 3.42Å; F324-D371 WeakPolarHBondContact O-CA 3.48Å; F324-D371 WeakPolarHBondContact O-CB 3.44Å; F324-R373 HydrophobicContact CD2-CG 3.95Å; F324-R373 HydrophobicContact CE2-CG 3.57Å; F324-R373 HydrophobicContact CZ-CG 4.23Å
325	D	98	Very high	96.6	Very high	35 Å²	35	58.3 Å²	58.3	19%	0.187	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-71.7	142.1	160	-61	-27	0	0	0	109.3	N327 S328 V330 D332 S333	D325-N327 PolarHBondContact O-N 3.46Å; D325-S328 WeakPolarHBondContact CB-OG 3.16Å; D325-S328 PolarHBondContact O-N 3.19Å; D325-S328 PolarHBondContact O-OG 3.08Å; D325-V330 PolarHBondContact N-O 2.87Å; D325-D332 WeakPolarHBondContact OD1-CA 3.23Å; D325-S333 PolarHBondContact OD1-N 2.66Å; D325-S333 PolarHBondContact OD1-OG 2.57Å; D325-S333 WeakPolarHBondContact OD2-CB 3.46Å; D325-S333 PolarHBondContact OD2-N 3.01Å; D325-S333 PolarHBondContact OD2-OG 3.19Å
326	L	96.5	Very high	96.5	Very high	95 Å²	95	58.8 Å²	58.8	50%	0.497	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.1	-175.2	-61.3	180	0	0	0	111.8	L97 S328 D371	L97-L326 HydrophobicContact CD2-CD2 3.76Å; L326-S328 PolarHBondContact O-N 3.2Å; L326-S328 VanDerWaalsContact O-N 3.15Å; L326-D371 HydrophobicContact CD2-CB 4.43Å
327	N	95.6	Very high	96.4	Very high	122 Å²	122	62.7 Å²	62.7	65%	0.652	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	22.6	178.1	-53.7	-55	0	0	0	114.7	D325 R368	D325-N327 PolarHBondContact O-N 3.46Å; N327-R368 WeakPolarHBondContact CA-O 3.41Å; N327-R368 PolarHBondContact N-O 2.57Å
328	S	96.6	Very high	96.6	Very high	28 Å²	28	58.9 Å²	58.9	20%	0.196	30%	0.303	C	S	.	.	S	Bend	trans	-136.6	164	179.9	87.5	0	0	0	0	111.4	D325 L326 V330 R373	D325-S328 WeakPolarHBondContact CB-OG 3.16Å; D325-S328 PolarHBondContact O-N 3.19Å; D325-S328 PolarHBondContact O-OG 3.08Å; L326-S328 PolarHBondContact O-N 3.2Å; L326-S328 VanDerWaalsContact O-N 3.15Å; S328-V330 VanDerWaalsContact C-N 3.33Å; S328-V330 PolarHBondContact OG-N 3.44Å; S328-V330 VanDerWaalsContact OG-N 3.11Å; S328-R373 PolarHBondContact O-NH2 2.9Å
329	D	95.9	Very high	96.7	Very high	84 Å²	84	60.7 Å²	60.7	45%	0.449	31%	0.314	S	S	.	.	S	Bend	trans	-96	15.5	169.6	-63.2	-41.9	0	0	0	112.5	R368 R373	D329-R368 IonicContact OD1-CZ 2.83Å; D329-R368 IonicContact OD1-NE 3.77Å; D329-R368 IonicContact OD1-NH2 3.75Å; D329-R368 IonicContact OD2-CZ 2.99Å; D329-R368 IonicContact OD2-NE 3.68Å; D329-R368 IonicContact OD2-NH1 3.59Å; D329-R368 PolarHBondContact OD2-NH1 3.08Å; D329-R368 IonicContact OD2-NH2 3.29Å; D329-R368 PolarHBondContact OD2-NH2 3.03Å; D329-R373 IonicContact OD1-CZ 2.63Å; D329-R373 IonicContact OD1-NH2 3.27Å; D329-R373 PolarHBondContact OD1-NH2 2.88Å
330	V	96.5	Very high	96.8	Very high	81 Å²	81	59 Å²	59	49%	0.491	30%	0.303	S	S	.	.			trans	-85.6	130.1	176.4	179.7	0	0	0	0	109	F324 D325 S328	F324-V330 CarbonylContact C-O 3.59Å; F324-V330 WeakPolarHBondContact CA-O 3.37Å; D325-V330 PolarHBondContact N-O 2.87Å; S328-V330 VanDerWaalsContact C-N 3.33Å; S328-V330 PolarHBondContact OG-N 3.44Å; S328-V330 VanDerWaalsContact OG-N 3.11Å
331	Y	97.4	Very high	96.8	Very high	30 Å²	30	59.1 Å²	59.1	12%	0.118	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-73.1	140.1	171.6	-70.2	-70.1	0	0	0	110.9	R273 I280 P320 K323 F324 S333 P340	R273-Y331 PolarHBondContact NH2-O 3.44Å; I280-Y331 HydrophobicContact CD1-CE2 3.87Å; I280-Y331 HydrophobicContact CG2-CE2 4.3Å; P320-Y331 PolarHBondContact O-OH 2.96Å; P320-Y331 VanDerWaalsContact O-OH 3.1Å; K323-Y331 CarbonylContact O-C 3.56Å; K323-Y331 VanDerWaalsContact O-CA 3.32Å; K323-Y331 WeakPolarHBondContact O-CA 3.48Å; K323-Y331 WeakPolarHBondContact O-CD1 3.43Å; F324-Y331 HydrophobicContact CD1-CD1 4.03Å; F324-Y331 HydrophobicContact CD1-CE1 4.15Å; F324-Y331 AromaticContact CE1-CD1 3.77Å; F324-Y331 HydrophobicContact CE1-CD1 3.77Å; F324-Y331 AromaticContact CE1-CE1 3.43Å; F324-Y331 HydrophobicContact CE1-CE1 3.43Å; F324-Y331 VanDerWaalsContact CE1-CE1 3.43Å; F324-Y331 HydrophobicContact CE1-CE2 4.41Å; F324-Y331 HydrophobicContact CE1-CG 4.39Å; F324-Y331 AromaticContact CE1-CZ 3.8Å; F324-Y331 HydrophobicContact CE2-CD1 4.48Å; F324-Y331 AromaticContact CE2-CE1 3.91Å; F324-Y331 HydrophobicContact CE2-CE1 3.91Å; F324-Y331 HydrophobicContact CZ-CD1 4.01Å; F324-Y331 AromaticContact CZ-CE1 3.3Å; F324-Y331 HydrophobicContact CZ-CE1 3.3Å; F324-Y331 AromaticContact CZ-CZ 3.74Å; Y331-S333 PolarHBondContact O-N 3.45Å; Y331-S333 VanDerWaalsContact O-N 3.16Å; Y331-P340 HydrophobicContact CD1-CB 3.84Å; Y331-P340 HydrophobicContact CD1-CG 3.68Å; Y331-P340 HydrophobicContact CD2-CB 4.49Å; Y331-P340 HydrophobicContact CD2-CG 3.87Å; Y331-P340 HydrophobicContact CE1-CB 3.67Å; Y331-P340 HydrophobicContact CE1-CG 3.99Å; Y331-P340 HydrophobicContact CE2-CB 4.36Å; Y331-P340 HydrophobicContact CE2-CG 4.17Å; Y331-P340 HydrophobicContact CG-CB 4.25Å; Y331-P340 HydrophobicContact CG-CG 3.61Å
332	D	97.1	Very high	96.9	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.011	30%	0.304	C	S	.	.			trans	-12.1	98.2	-177.6	-176.3	24.6	0	0	0	114.7	R273 K323 D325 S334 Q337 R338	R273-D332 PolarHBondContact NH1-O 2.91Å; R273-D332 PolarHBondContact NH2-O 2.77Å; R273-D332 VanDerWaalsContact NH2-O 3.11Å; K323-D332 HydrophobicContact CB-CB 4.02Å; K323-D332 HydrophobicContact CD-CB 4.14Å; K323-D332 HydrophobicContact CG-CB 4.14Å; K323-D332 PolarHBondContact O-N 3.41Å; D325-D332 WeakPolarHBondContact OD1-CA 3.23Å; D332-S334 VanDerWaalsContact C-N 3.29Å; D332-S334 VanDerWaalsContact CG-OG 3.32Å; D332-S334 WeakPolarHBondContact OD1-CB 3.26Å; D332-S334 PolarHBondContact OD1-N 2.94Å; D332-S334 VanDerWaalsContact OD1-N 3.1Å; D332-S334 PolarHBondContact OD1-OG 2.9Å; D332-S334 PolarHBondContact OD2-OG 3.28Å; D332-Q337 PolarHBondContact O-NE2 3.27Å; D332-Q337 PolarHBondContact OD2-N 2.8Å; D332-R338 HydrophobicContact CB-CB 4.37Å; D332-R338 WeakPolarHBondContact OD2-CB 3.15Å; D332-R338 WeakPolarHBondContact OD2-CG 3.41Å; D332-R338 PolarHBondContact OD2-N 3.44Å
333	S	96.2	Very high	96.9	Very high	78 Å²	78	58 Å²	58	55%	0.545	30%	0.299	S	S	.	.			trans	-85.5	-0.4	173.5	64.8	0	0	0	0	112.9	D325 Y331 Q337	D325-S333 PolarHBondContact OD1-N 2.66Å; D325-S333 PolarHBondContact OD1-OG 2.57Å; D325-S333 WeakPolarHBondContact OD2-CB 3.46Å; D325-S333 PolarHBondContact OD2-N 3.01Å; D325-S333 PolarHBondContact OD2-OG 3.19Å; Y331-S333 PolarHBondContact O-N 3.45Å; Y331-S333 VanDerWaalsContact O-N 3.16Å; S333-Q337 VanDerWaalsContact C-NE2 3.3Å; S333-Q337 PolarHBondContact O-NE2 3.22Å
334	S	96.3	Very high	96.9	Very high	48 Å²	48	55.6 Å²	55.6	34%	0.336	29%	0.289	S	S	.	.	S	Bend	trans	-65.2	165.6	175.7	80.8	0	0	0	0	111.9	D332 K336 Q337	D332-S334 VanDerWaalsContact C-N 3.29Å; D332-S334 VanDerWaalsContact CG-OG 3.32Å; D332-S334 WeakPolarHBondContact OD1-CB 3.26Å; D332-S334 PolarHBondContact OD1-N 2.94Å; D332-S334 VanDerWaalsContact OD1-N 3.1Å; D332-S334 PolarHBondContact OD1-OG 2.9Å; D332-S334 PolarHBondContact OD2-OG 3.28Å; S334-K336 PolarHBondContact O-N 3.3Å; S334-K336 PolarHBondContact OG-N 2.69Å; S334-Q337 WeakPolarHBondContact O-CG 3.45Å; S334-Q337 PolarHBondContact O-N 3.43Å; S334-Q337 PolarHBondContact O-NE2 3.49Å
335	E	95.3	Very high	96.9	Very high	200 Å²	200	55.1 Å²	55.1	94%	0.935	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.1	176.6	-62.1	177.6	175.5	0	0	113.6	Q337	E335-Q337 VanDerWaalsContact C-N 3.31Å; E335-Q337 PolarHBondContact O-N 3.16Å
336	K	94.6	Very high	97	Very high	151 Å²	151	53.5 Å²	53.5	66%	0.657	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-20	-178.5	-66.9	179.6	-177.2	168.7	0	113.2	S334 R338	S334-K336 PolarHBondContact O-N 3.3Å; S334-K336 PolarHBondContact OG-N 2.69Å; K336-R338 VanDerWaalsContact C-N 3.27Å; K336-R338 HydrophobicContact CB-CG 4.37Å; K336-R338 PolarHBondContact O-N 3.2Å; K336-R338 VanDerWaalsContact O-N 3.1Å
337	Q	95.4	Very high	97.1	Very high	87 Å²	87	49 Å²	49	41%	0.407	26%	0.255	S	S	.	.			trans	40.7	53.1	176.2	-68.5	-66.8	-64.9	0	0	112.6	R273 D332 S333 S334 E335 V339	R273-Q337 VanDerWaalsContact CD-O 3.32Å; R273-Q337 WeakPolarHBondContact CD-O 3.37Å; D332-Q337 PolarHBondContact O-NE2 3.27Å; D332-Q337 PolarHBondContact OD2-N 2.8Å; S333-Q337 VanDerWaalsContact C-NE2 3.3Å; S333-Q337 PolarHBondContact O-NE2 3.22Å; S334-Q337 WeakPolarHBondContact O-CG 3.45Å; S334-Q337 PolarHBondContact O-N 3.43Å; S334-Q337 PolarHBondContact O-NE2 3.49Å; E335-Q337 VanDerWaalsContact C-N 3.31Å; E335-Q337 PolarHBondContact O-N 3.16Å; Q337-V339 PolarHBondContact O-N 3.37Å
338	R	96.7	Very high	97.2	Very high	72 Å²	72	43.9 Å²	43.9	27%	0.272	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-58.8	139	-175.6	-64.8	-58.9	-169.4	168.3	2.6	110.7	N216 R273 Y322 K323 D332 K336	N216-R338 PolarHBondContact OD1-NH1 2.81Å; R273-R338 PolarHBondContact NH1-O 3.25Å; Y322-R338 HydrophobicContact CE1-CB 4.25Å; Y322-R338 HydrophobicContact CE1-CG 4.49Å; K323-R338 HydrophobicContact CB-CB 4.29Å; K323-R338 HydrophobicContact CD-CG 4.3Å; D332-R338 HydrophobicContact CB-CB 4.37Å; D332-R338 WeakPolarHBondContact OD2-CB 3.15Å; D332-R338 WeakPolarHBondContact OD2-CG 3.41Å; D332-R338 PolarHBondContact OD2-N 3.44Å; K336-R338 VanDerWaalsContact C-N 3.27Å; K336-R338 HydrophobicContact CB-CG 4.37Å; K336-R338 PolarHBondContact O-N 3.2Å; K336-R338 VanDerWaalsContact O-N 3.1Å
339	V	97.7	Very high	97.3	Very high	42 Å²	42	43 Å²	43	26%	0.255	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-66.5	130	174.5	-177.2	0	0	0	0	108.7	R273 V276 Q337 S341	R273-V339 HydrophobicContact CB-CG2 4.04Å; V276-V339 HydrophobicContact CB-CG1 4.11Å; V276-V339 HydrophobicContact CG1-CG1 4.32Å; V276-V339 HydrophobicContact CG2-CG1 3.67Å; Q337-V339 PolarHBondContact O-N 3.37Å; V339-S341 PolarHBondContact O-N 2.94Å; V339-S341 PolarHBondContact O-OG 2.65Å
340	P	97.9	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-54.2	130.9	171.7	-27.6	36.2	0	0	0	111.6	V276 I280 P320 Y322 Y331	V276-P340 HydrophobicContact CG1-CB 3.94Å; V276-P340 HydrophobicContact CG1-CG 4.2Å; I280-P340 HydrophobicContact CD1-CB 3.88Å; I280-P340 HydrophobicContact CD1-CG 4.2Å; P320-P340 HydrophobicContact CB-CB 3.82Å; P320-P340 HydrophobicContact CG-CB 4.13Å; Y322-P340 CarbonylContact O-C 3.59Å; Y322-P340 WeakPolarHBondContact O-CA 3.35Å; Y331-P340 HydrophobicContact CD1-CB 3.84Å; Y331-P340 HydrophobicContact CD1-CG 3.68Å; Y331-P340 HydrophobicContact CD2-CB 4.49Å; Y331-P340 HydrophobicContact CD2-CG 3.87Å; Y331-P340 HydrophobicContact CE1-CB 3.67Å; Y331-P340 HydrophobicContact CE1-CG 3.99Å; Y331-P340 HydrophobicContact CE2-CB 4.36Å; Y331-P340 HydrophobicContact CE2-CG 4.17Å; Y331-P340 HydrophobicContact CG-CB 4.25Å; Y331-P340 HydrophobicContact CG-CG 3.61Å
341	S	98.3	Very high	97.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-147	156.9	-177.5	-65.1	0	0	0	0	113.7	I269 T321 Y322 V339 T343	I269-S341 PolarHBondContact N-OG 3.21Å; I269-S341 VanDerWaalsContact N-OG 3.16Å; T321-S341 PolarHBondContact N-O 3.09Å; Y322-S341 PolarHBondContact N-O 2.88Å; Y322-S341 PolarHBondContact O-N 3.09Å; V339-S341 PolarHBondContact O-N 2.94Å; V339-S341 PolarHBondContact O-OG 2.65Å; S341-T343 VanDerWaalsContact C-N 3.35Å; S341-T343 PolarHBondContact O-N 3.4Å
342	Y	98.2	Very high	97	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.223	C	C	.	.			trans	-85.6	72.5	173.4	-55.3	-73.6	0	0	0	110.3	I269 F289 L292 L293 I316 F318 P319 P320 R345	I269-Y342 HydrophobicContact CD1-CD2 3.81Å; I269-Y342 HydrophobicContact CD1-CE2 4.04Å; I269-Y342 HydrophobicContact CG1-CD2 4.25Å; I269-Y342 HydrophobicContact CG1-CE2 4.48Å; F289-Y342 WeakPolarHBondContact CD1-OH 3.48Å; L292-Y342 HydrophobicContact CB-CE2 4.05Å; L293-Y342 HydrophobicContact CD2-CD2 3.81Å; L293-Y342 HydrophobicContact CD2-CE2 3.71Å; L293-Y342 HydrophobicContact CG-CE2 4.2Å; I316-Y342 HydrophobicContact CD1-CG 4.46Å; I316-Y342 HydrophobicContact CG2-CD1 4.02Å; I316-Y342 HydrophobicContact CG2-CE1 3.65Å; F318-Y342 HydrophobicContact CD2-CE1 4.46Å; F318-Y342 HydrophobicContact CE2-CD1 4.25Å; F318-Y342 VanDerWaalsContact O-CE1 3.27Å; F318-Y342 WeakPolarHBondContact O-CE1 3.31Å; F318-Y342 PolarHBondContact O-OH 3.36Å; P319-Y342 VanDerWaalsContact C-CE1 3.46Å; P320-Y342 HydrophobicContact CB-CD1 4.42Å; P320-Y342 HydrophobicContact CB-CE1 4.28Å; P320-Y342 HydrophobicContact CG-CD1 4.48Å; P320-Y342 HydrophobicContact CG-CE1 3.94Å; P320-Y342 HydrophobicContact CG-CE2 4.14Å; P320-Y342 VanDerWaalsContact N-CE1 3.31Å; Y342-R345 WeakPolarHBondContact O-CD 3.27Å; Y342-R345 PolarHBondContact O-NH1 3.22Å
343	T	98.2	Very high	96.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.			trans	-76.9	-34.5	-176.4	47.5	0	0	0	0	113.2	D264 L265 N266 R268 Y322 S341 H372	D264-T343 CarbonylContact C-O 3.5Å; D264-T343 WeakPolarHBondContact OD1-CB 3.46Å; L265-T343 PolarHBondContact N-O 2.98Å; N266-T343 PolarHBondContact N-O 3.24Å; R268-T343 VanDerWaalsContact CZ-CG2 3.45Å; Y322-T343 WeakPolarHBondContact CB-OG1 3.48Å; Y322-T343 HydrophobicContact CD1-CG2 3.91Å; Y322-T343 HydrophobicContact CG-CG2 4.03Å; S341-T343 VanDerWaalsContact C-N 3.35Å; S341-T343 PolarHBondContact O-N 3.4Å; T343-H372 PolarHBondContact OG1-CE1 2.64Å; T343-H372 PolarHBondContact OG1-ND1 2.72Å
344	D	98.8	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.8	-177.5	-58.2	-96.5	0	0	0	109.1	T93 G263 H372 V375	T93-D344 HydrophobicContact CG2-CB 3.98Å; G263-D344 WeakPolarHBondContact O-CA 3.44Å; D344-H372 IonicContact OD1-ND1 3.94Å; D344-H372 IonicContact OD2-CE1 2.98Å; D344-H372 IonicContact OD2-CG 3.92Å; D344-H372 IonicContact OD2-ND1 3.2Å; D344-H372 PolarHBondContact OD2-ND1 3.24Å; D344-V375 HydrophobicContact CB-CB 4.5Å; D344-V375 HydrophobicContact CB-CG2 3.93Å
345	R	98.7	Very high	96.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151	-170.9	-54.3	-65.2	-81	-90.9	1.2	111	A262 G263 L265 D296 L298 E313 Y342 L347	A262-R345 WeakPolarHBondContact CA-O 3.08Å; G263-R345 PolarHBondContact N-O 2.87Å; G263-R345 VanDerWaalsContact N-O 3.13Å; G263-R345 PolarHBondContact O-N 3.32Å; L265-R345 HydrophobicContact CD1-CB 3.84Å; L265-R345 HydrophobicContact CD1-CG 4.33Å; L265-R345 HydrophobicContact CG-CB 4.23Å; D296-R345 VanDerWaalsContact CG-NH1 3.34Å; D296-R345 IonicContact OD1-NH1 2.69Å; D296-R345 PolarHBondContact OD1-NH1 3.37Å; D296-R345 IonicContact OD2-CZ 3.77Å; D296-R345 IonicContact OD2-NH1 3.4Å; D296-R345 PolarHBondContact OD2-NH1 3.33Å; D296-R345 IonicContact OD2-NH2 3.55Å; D296-R345 PolarHBondContact OD2-NH2 3.02Å; L298-R345 HydrophobicContact CD2-CB 4.18Å; L298-R345 HydrophobicContact CD2-CG 3.83Å; E313-R345 IonicContact OE1-CZ 3.51Å; E313-R345 IonicContact OE1-NE 3.56Å; E313-R345 PolarHBondContact OE1-NE 3.09Å; E313-R345 IonicContact OE1-NH2 3.89Å; E313-R345 IonicContact OE2-CZ 3.45Å; E313-R345 IonicContact OE2-NE 3.39Å; E313-R345 PolarHBondContact OE2-NE 3.41Å; E313-R345 IonicContact OE2-NH2 3.9Å; E313-R345 PolarHBondContact OE2-NH2 2.72Å; Y342-R345 WeakPolarHBondContact O-CD 3.27Å; Y342-R345 PolarHBondContact O-NH1 3.22Å; R345-L347 HydrophobicContact CB-CD1 4.04Å
346	I	98.9	Very high	96.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	107.4	173.3	-54.7	174.4	0	0	0	108.5	V91 T93 A262 Y361 V375 A377 F379	V91-I346 HydrophobicContact CB-CD1 4.35Å; V91-I346 HydrophobicContact CB-CG2 3.97Å; V91-I346 HydrophobicContact CG1-CD1 4.32Å; V91-I346 HydrophobicContact CG1-CG2 3.95Å; V91-I346 VanDerWaalsContact O-CD1 3.27Å; V91-I346 WeakPolarHBondContact O-CD1 3.29Å; T93-I346 HydrophobicContact CG2-CD1 4.35Å; T93-I346 HydrophobicContact CG2-CG1 3.95Å; A262-I346 HydrophobicContact CB-CB 4.43Å; A262-I346 HydrophobicContact CB-CG1 3.9Å; A262-I346 HydrophobicContact CB-CG2 4.34Å; I346-Y361 HydrophobicContact CB-CE2 3.98Å; I346-Y361 HydrophobicContact CD1-CE2 4.25Å; I346-Y361 HydrophobicContact CG1-CE2 4.21Å; I346-Y361 PolarHBondContact N-OH 2.63Å; I346-Y361 VanDerWaalsContact N-OH 3.1Å; I346-V375 HydrophobicContact CD1-CG1 4.11Å; I346-V375 HydrophobicContact CG1-CG1 4.39Å; I346-A377 HydrophobicContact CB-CB 4.14Å; I346-A377 HydrophobicContact CD1-CB 3.9Å; I346-A377 HydrophobicContact CG2-CB 3.91Å; I346-F379 HydrophobicContact CG2-CE2 4.17Å; I346-F379 HydrophobicContact CG2-CZ 4.04Å
347	L	98.8	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	155.7	175.7	-55.5	96.9	0	0	0	109.9	W261 L265 L298 F308 F311 D312 R345	W261-L347 PolarHBondContact N-O 3.39Å; W261-L347 PolarHBondContact O-N 2.98Å; L265-L347 HydrophobicContact CD1-CD1 3.57Å; L298-L347 HydrophobicContact CD2-CD1 4.23Å; L298-L347 HydrophobicContact CD2-CD2 4.35Å; F308-L347 HydrophobicContact CB-CD2 4.06Å; F308-L347 HydrophobicContact CD1-CD2 3.94Å; F308-L347 HydrophobicContact CD2-CD2 4.42Å; F308-L347 HydrophobicContact CE1-CD1 4.3Å; F308-L347 HydrophobicContact CE1-CD2 4.47Å; F308-L347 HydrophobicContact CG-CD2 3.91Å; F308-L347 HydrophobicContact CZ-CD1 4.44Å; F311-L347 HydrophobicContact CB-CB 4.11Å; F311-L347 HydrophobicContact CB-CD2 4.2Å; F311-L347 HydrophobicContact CD1-CB 3.76Å; F311-L347 HydrophobicContact CG-CB 4.3Å; D312-L347 CarbonylContact O-C 3.59Å; D312-L347 WeakPolarHBondContact O-CA 3.39Å; R345-L347 HydrophobicContact CB-CD1 4.04Å
348	F	98.7	Very high	96.8	Very high	14 Å²	14	39 Å²	39	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.9	179.3	61.8	-82.1	0	0	0	112	V259 F260 F311 D312 L356 C358 F379	V259-F348 CarbonylContact O-C 3.58Å; V259-F348 VanDerWaalsContact O-CA 3.27Å; V259-F348 WeakPolarHBondContact O-CA 3.43Å; F260-F348 HydrophobicContact CD1-CB 3.98Å; F260-F348 HydrophobicContact CE1-CB 4.26Å; F311-F348 CarbonylContact C-O 3.55Å; F311-F348 VanDerWaalsContact CA-O 3.28Å; F311-F348 WeakPolarHBondContact CA-O 3.49Å; D312-F348 HydrophobicContact CB-CD1 4.33Å; D312-F348 HydrophobicContact CB-CD2 4.1Å; D312-F348 HydrophobicContact CB-CE1 3.8Å; D312-F348 HydrophobicContact CB-CE2 3.54Å; D312-F348 HydrophobicContact CB-CG 4.49Å; D312-F348 HydrophobicContact CB-CZ 3.38Å; D312-F348 PolarHBondContact N-O 3.12Å; D312-F348 VanDerWaalsContact O-CD1 3.28Å; D312-F348 WeakPolarHBondContact O-CD1 3.43Å; D312-F348 PolarHBondContact O-N 2.87Å; F348-L356 HydrophobicContact CB-CD2 3.79Å; F348-L356 HydrophobicContact CD2-CD2 3.51Å; F348-L356 HydrophobicContact CD2-CG 4.1Å; F348-L356 HydrophobicContact CE2-CD2 4.44Å; F348-L356 HydrophobicContact CG-CD2 4Å; F348-C358 HydrophobicContact CE1-CB 3.83Å; F348-C358 HydrophobicContact CZ-CB 3.81Å; F348-F379 HydrophobicContact CB-CE1 4.03Å; F348-F379 HydrophobicContact CB-CZ 4.25Å; F348-F379 HydrophobicContact CD1-CD1 4.31Å; F348-F379 AromaticContact CD1-CE1 3.29Å; F348-F379 HydrophobicContact CD1-CE1 3.29Å; F348-F379 AromaticContact CD1-CZ 3.83Å; F348-F379 HydrophobicContact CD1-CZ 3.83Å; F348-F379 HydrophobicContact CD2-CE1 4.26Å; F348-F379 AromaticContact CE1-CE1 3.7Å; F348-F379 HydrophobicContact CE1-CE1 3.7Å; F348-F379 HydrophobicContact CE1-CZ 4.5Å; F348-F379 HydrophobicContact CG-CD1 4.29Å; F348-F379 AromaticContact CG-CE1 3.59Å; F348-F379 HydrophobicContact CG-CE1 3.59Å; F348-F379 HydrophobicContact CG-CZ 4.22Å; F348-F379 HydrophobicContact CZ-CE1 4.31Å
349	M	97.4	Very high	96.7	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.6	175.9	177.8	-175.9	84.3	0	0	108.6	L253 V258 V259 N310 F311	L253-M349 HydrophobicContact CB-CE 4.1Å; V258-M349 WeakPolarHBondContact CA-O 3.43Å; V259-M349 HydrophobicContact CB-CB 4.33Å; V259-M349 HydrophobicContact CB-CE 4.25Å; V259-M349 HydrophobicContact CG2-CE 3.63Å; V259-M349 PolarHBondContact N-O 3.47Å; V259-M349 PolarHBondContact O-N 2.96Å; N310-M349 HydrophobicContact CB-CG 4.34Å; N310-M349 HydrophobicContact CB-SD 3.77Å; N310-M349 VanDerWaalsContact O-CG 3.31Å; N310-M349 WeakPolarHBondContact O-CG 3.34Å; F311-M349 HydrophobicContact CD1-CB 3.95Å; F311-M349 HydrophobicContact CD2-CB 4.28Å; F311-M349 HydrophobicContact CE1-CB 3.93Å; F311-M349 HydrophobicContact CE2-CB 4.27Å; F311-M349 HydrophobicContact CE2-SD 4.19Å; F311-M349 HydrophobicContact CG-CB 4.12Å; F311-M349 HydrophobicContact CZ-CB 4.09Å
350	S	97.3	Very high	96.7	Very high	27 Å²	27	39.6 Å²	39.6	19%	0.189	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.6	171.7	175.4	0	0	0	0	110	K352	S350-K352 VanDerWaalsContact C-N 3.29Å; S350-K352 PolarHBondContact O-N 2.99Å; S350-K352 PolarHBondContact OG-O 3.42Å
351	K	93.8	Very high	96.7	Very high	79 Å²	79	40.1 Å²	40.1	34%	0.343	21%	0.209	S	C	.	.	S	Bend	trans	-64.4	-35.8	179.6	-171.9	156.6	-173.9	158.8	0	112.5	K246 E249 D254 D257	K246-K351 HydrophobicContact CD-CD 4.04Å; E249-K351 IonicContact OE1-NZ 2.94Å; E249-K351 PolarHBondContact OE1-NZ 3.07Å; E249-K351 IonicContact OE2-NZ 3.56Å; D254-K351 PolarHBondContact O-NZ 2.83Å; D257-K351 PolarHBondContact O-N 3.11Å
352	K	93.8	Very high	96.6	Very high	138 Å²	138	42.8 Å²	42.8	60%	0.6	22%	0.223	S	C	*	.	S	Bend	trans	-102.6	116.9	172.5	-175.7	173.2	172.9	-169.3	0	109	S350 G354 N355	S350-K352 VanDerWaalsContact C-N 3.29Å; S350-K352 PolarHBondContact O-N 2.99Å; S350-K352 PolarHBondContact OG-O 3.42Å; K352-G354 PolarHBondContact O-N 2.93Å; K352-N355 HydrophobicContact CB-CB 4.38Å; K352-N355 WeakPolarHBondContact CD-OD1 3.34Å; K352-N355 WeakPolarHBondContact O-CB 3.15Å; K352-N355 PolarHBondContact O-N 2.79Å
353	K	90.4	Very high	96.5	Very high	201 Å²	201	43.1 Å²	43.1	87%	0.874	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.3	175.8	-66.5	-169.9	176.6	-173	0	110.5	N355	K353-N355 VanDerWaalsContact C-N 3.27Å; K353-N355 PolarHBondContact O-N 3.35Å
354	G	90.7	Very high	96.5	Very high	55 Å²	55	43.3 Å²	43.3	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	-9.4	-179	0	0	0	0	0	115.5	K352 L356	K352-G354 PolarHBondContact O-N 2.93Å; G354-L356 VanDerWaalsContact C-N 3.31Å
355	N	94.7	Very high	96.3	Very high	35 Å²	35	46.5 Å²	46.5	19%	0.187	24%	0.243	C	C	.	.	S	Bend	trans	-76	-20.5	175.2	-82.1	23.1	0	0	0	113.3	K352 K353 L381 V382	K352-N355 HydrophobicContact CB-CB 4.38Å; K352-N355 WeakPolarHBondContact CD-OD1 3.34Å; K352-N355 WeakPolarHBondContact O-CB 3.15Å; K352-N355 PolarHBondContact O-N 2.79Å; K353-N355 VanDerWaalsContact C-N 3.27Å; K353-N355 PolarHBondContact O-N 3.35Å; N355-L381 WeakPolarHBondContact O-CA 3.31Å; N355-L381 WeakPolarHBondContact O-CD1 3.18Å; N355-V382 HydrophobicContact CB-CB 4.34Å; N355-V382 PolarHBondContact O-N 3.3Å
356	L	98.3	Very high	96.1	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.1	179.6	-175.4	68.2	0	0	0	109	V258 F260 F348 G354 F379 S380 L381	V258-L356 HydrophobicContact CG1-CD2 3.68Å; F260-L356 HydrophobicContact CE1-CD1 4.02Å; F260-L356 HydrophobicContact CE1-CD2 3.75Å; F260-L356 HydrophobicContact CE1-CG 4.5Å; F260-L356 HydrophobicContact CZ-CD1 3.74Å; F260-L356 HydrophobicContact CZ-CD2 3.93Å; F348-L356 HydrophobicContact CB-CD2 3.79Å; F348-L356 HydrophobicContact CD2-CD2 3.51Å; F348-L356 HydrophobicContact CD2-CG 4.1Å; F348-L356 HydrophobicContact CE2-CD2 4.44Å; F348-L356 HydrophobicContact CG-CD2 4Å; G354-L356 VanDerWaalsContact C-N 3.31Å; L356-F379 HydrophobicContact CD1-CB 3.68Å; L356-F379 HydrophobicContact CD1-CD1 4.3Å; L356-F379 HydrophobicContact CD1-CG 4.23Å; L356-F379 HydrophobicContact CG-CD1 4.34Å; L356-S380 WeakPolarHBondContact CA-O 3.37Å; L356-L381 HydrophobicContact CD1-CB 4.04Å; L356-L381 HydrophobicContact CD1-CD1 4.32Å
357	I	97.5	Very high	95.9	Very high	95 Å²	95	51.1 Å²	51.1	49%	0.487	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.3	-179.3	-59.7	171.7	0	0	0	108.4	L359 F379 S380	I357-L359 HydrophobicContact CG2-CD2 4.23Å; I357-L359 PolarHBondContact O-N 3.07Å; I357-F379 CarbonylContact O-C 3.54Å; I357-F379 WeakPolarHBondContact O-CA 3.37Å; I357-S380 PolarHBondContact N-O 3.17Å; I357-S380 PolarHBondContact O-N 3.49Å
358	C	97.6	Very high	95.8	Very high	33 Å²	33	55.7 Å²	55.7	22%	0.223	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.2	170.4	-167.5	0	0	0	0	109.4	F348 D360 L378 F379	F348-C358 HydrophobicContact CE1-CB 3.83Å; F348-C358 HydrophobicContact CZ-CB 3.81Å; C358-D360 PolarHBondContact SG-O 3.24Å; C358-L378 CarbonylContact C-O 3.59Å; C358-F379 HydrophobicContact CB-CD1 3.9Å; C358-F379 HydrophobicContact CB-CE1 3.73Å
359	L	96	Very high	95.6	Very high	92 Å²	92	56.2 Å²	56.2	48%	0.482	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-40.1	-179.8	-60.5	-177.6	0	0	0	112	I357 L378	I357-L359 HydrophobicContact CG2-CD2 4.23Å; I357-L359 PolarHBondContact O-N 3.07Å; L359-L378 HydrophobicContact CB-CB 4.48Å; L359-L378 HydrophobicContact CB-CD2 4.27Å; L359-L378 HydrophobicContact CB-CG 4.25Å; L359-L378 HydrophobicContact CD1-CD2 4.17Å; L359-L378 HydrophobicContact CD1-CG 4.22Å; L359-L378 PolarHBondContact N-O 3.45Å
360	D	96.3	Very high	95.6	Very high	35 Å²	35	55.7 Å²	55.7	19%	0.187	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.3	-180	-163.2	5.4	0	0	0	110.3	C358 F376 A377 L378	C358-D360 PolarHBondContact SG-O 3.24Å; D360-F376 HydrophobicContact CB-CE2 4.24Å; D360-F376 WeakPolarHBondContact OD2-CZ 3.19Å; D360-A377 CarbonylContact O-C 3.51Å; D360-A377 VanDerWaalsContact O-CA 3.23Å; D360-A377 WeakPolarHBondContact O-CA 3.37Å; D360-L378 HydrophobicContact CB-CB 4.05Å; D360-L378 PolarHBondContact N-O 3.1Å; D360-L378 PolarHBondContact O-N 3.36Å
361	Y	97.4	Very high	95.7	Very high	11 Å²	11	54.8 Å²	54.8	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	110.4	176.1	-175.7	-145.5	0	0	0	110.2	E313 G314 I316 F318 I346 V375 F376 A377	E313-Y361 HydrophobicContact CG-CE1 3.66Å; E313-Y361 WeakPolarHBondContact OE1-CE1 3.39Å; E313-Y361 PolarHBondContact OE1-OH 3.13Å; G314-Y361 VanDerWaalsContact C-CD1 3.43Å; G314-Y361 WeakPolarHBondContact O-CD1 3.39Å; G314-Y361 WeakPolarHBondContact O-CE1 3.27Å; I316-Y361 HydrophobicContact CD1-CE1 4.21Å; I316-Y361 HydrophobicContact CG1-CD1 3.99Å; I316-Y361 HydrophobicContact CG1-CE1 3.42Å; I316-Y361 VanDerWaalsContact CG1-CE1 3.42Å; F318-Y361 AromaticContact CE1-CD1 3.99Å; F318-Y361 HydrophobicContact CE1-CD1 3.99Å; F318-Y361 HydrophobicContact CE1-CD2 4.23Å; F318-Y361 HydrophobicContact CE1-CE1 4.13Å; F318-Y361 HydrophobicContact CE1-CE2 4.32Å; F318-Y361 HydrophobicContact CE1-CG 4.09Å; F318-Y361 HydrophobicContact CZ-CD1 4.46Å; F318-Y361 HydrophobicContact CZ-CE1 4.15Å; F318-Y361 HydrophobicContact CZ-CE2 4.18Å; F318-Y361 AromaticContact CZ-CZ 3.98Å; I346-Y361 HydrophobicContact CB-CE2 3.98Å; I346-Y361 HydrophobicContact CD1-CE2 4.25Å; I346-Y361 HydrophobicContact CG1-CE2 4.21Å; I346-Y361 PolarHBondContact N-OH 2.63Å; I346-Y361 VanDerWaalsContact N-OH 3.1Å; Y361-V375 HydrophobicContact CD2-CG1 4.03Å; Y361-V375 HydrophobicContact CE2-CG1 3.31Å; Y361-F376 WeakPolarHBondContact CA-O 3.44Å; Y361-F376 VanDerWaalsContact CD2-O 3.29Å; Y361-F376 WeakPolarHBondContact CD2-O 3.09Å; Y361-A377 HydrophobicContact CD2-CB 3.69Å; Y361-A377 HydrophobicContact CE2-CB 4.29Å; Y361-A377 HydrophobicContact CG-CB 4.41Å
362	N	96.9	Very high	95.9	Very high	59 Å²	59	51.3 Å²	51.3	32%	0.316	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164	-171	-144.5	-29.7	0	0	0	113.8	F318 V375 F376	F318-N362 WeakPolarHBondContact CB-OD1 3.27Å; F318-N362 VanDerWaalsContact CD1-CA 3.46Å; N362-V375 WeakPolarHBondContact O-CA 3.45Å; N362-F376 HydrophobicContact CB-CD1 4.4Å; N362-F376 HydrophobicContact CB-CE1 3.62Å; N362-F376 HydrophobicContact CB-CZ 3.79Å; N362-F376 PolarHBondContact N-O 2.56Å; N362-F376 WeakPolarHBondContact O-CD1 3.43Å; N362-F376 PolarHBondContact O-N 3.38Å
363	S	97.2	Very high	96.1	Very high	8 Å²	8	44.7 Å²	44.7	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.6	169.8	64.4	0	0	0	0	111.5	F318 N365 P374	F318-S363 WeakPolarHBondContact CB-OG 3.18Å; S363-N365 PolarHBondContact OG-ND2 2.95Å; S363-P374 CarbonylContact C-O 3.51Å; S363-P374 WeakPolarHBondContact CA-O 3.38Å
364	I	96.9	Very high	96.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	20%	0.199	C	C	.	.			trans	-95.9	100.9	174.2	-55.3	179.7	0	0	0	109	D110 L111 S114 T366 I367 P374 F376	D110-I364 HydrophobicContact CB-CG2 4.02Å; D110-I364 WeakPolarHBondContact O-CD1 3.24Å; L111-I364 HydrophobicContact CD2-CD1 3.95Å; S114-I364 WeakPolarHBondContact OG-CG2 3.4Å; I364-T366 WeakPolarHBondContact CG2-OG1 3.16Å; I364-I367 HydrophobicContact CG2-CD1 4.19Å; I364-I367 HydrophobicContact CG2-CG1 4.19Å; I364-P374 HydrophobicContact CB-CB 4.03Å; I364-P374 HydrophobicContact CB-CG 4.21Å; I364-P374 HydrophobicContact CD1-CB 4.08Å; I364-P374 HydrophobicContact CG1-CB 4.28Å; I364-P374 PolarHBondContact N-O 2.93Å; I364-F376 HydrophobicContact CD1-CB 4.45Å; I364-F376 HydrophobicContact CD1-CD1 4.04Å; I364-F376 HydrophobicContact CG1-CD1 3.68Å; I364-F376 HydrophobicContact CG1-CE1 4.28Å
365	N	94.2	Very high	96.8	Very high	67 Å²	67	32.5 Å²	32.5	36%	0.358	17%	0.172	S	C	.	.			trans	-86.7	-8	-174.1	-69.9	-54.2	0	0	0	114.7	S363 R368	S363-N365 PolarHBondContact OG-ND2 2.95Å; N365-R368 PolarHBondContact O-NE 3.21Å
366	T	94.8	Very high	97	Very high	90 Å²	90	31 Å²	31	55%	0.552	16%	0.164	S	C	*	.	S	Bend	trans	-78.3	-25	178.3	50.8	0	0	0	0	112.6	D110 I364	D110-T366 WeakPolarHBondContact OD2-CB 3.26Å; D110-T366 PolarHBondContact OD2-OG1 2.99Å; I364-T366 WeakPolarHBondContact CG2-OG1 3.16Å
367	I	96	Very high	97	Very high	9 Å²	9	30.4 Å²	30.4	5%	0.046	16%	0.161	C	C	.	.			trans	-96.3	116	177.3	-61.5	174.6	0	0	0	109.5	W94 P105 D110 L111 I364 R373 P374	W94-I367 HydrophobicContact CH2-CG2 3.85Å; W94-I367 HydrophobicContact CZ2-CG2 3.53Å; P105-I367 HydrophobicContact CG-CG2 4.28Å; D110-I367 HydrophobicContact CB-CD1 4.26Å; L111-I367 HydrophobicContact CD2-CD1 3.46Å; L111-I367 VanDerWaalsContact CD2-CD1 3.46Å; L111-I367 HydrophobicContact CG-CD1 3.74Å; I364-I367 HydrophobicContact CG2-CD1 4.19Å; I364-I367 HydrophobicContact CG2-CG1 4.19Å; I367-R373 VanDerWaalsContact O-CD 3.28Å; I367-R373 WeakPolarHBondContact O-CD 3.47Å; I367-P374 HydrophobicContact CB-CG 4Å; I367-P374 HydrophobicContact CD1-CG 4.26Å; I367-P374 HydrophobicContact CG2-CG 4.07Å
368	R	96.3	Very high	97	Very high	95 Å²	95	26.4 Å²	26.4	36%	0.358	14%	0.141	S	C	.	.			trans	-129.5	9.6	-170.5	-52.5	177.9	-177.6	-177.5	-19.1	114	N327 D329 N365 S370	N327-R368 WeakPolarHBondContact CA-O 3.41Å; N327-R368 PolarHBondContact N-O 2.57Å; D329-R368 IonicContact OD1-CZ 2.83Å; D329-R368 IonicContact OD1-NE 3.77Å; D329-R368 IonicContact OD1-NH2 3.75Å; D329-R368 IonicContact OD2-CZ 2.99Å; D329-R368 IonicContact OD2-NE 3.68Å; D329-R368 IonicContact OD2-NH1 3.59Å; D329-R368 PolarHBondContact OD2-NH1 3.08Å; D329-R368 IonicContact OD2-NH2 3.29Å; D329-R368 PolarHBondContact OD2-NH2 3.03Å; N365-R368 PolarHBondContact O-NE 3.21Å; R368-S370 PolarHBondContact O-N 3.02Å
369	S	95.3	Very high	97.1	Very high	25 Å²	25	24.8 Å²	24.8	18%	0.175	13%	0.13	C	C	.	.	S	Bend	trans	-75.3	-8.3	-176.3	55.9	0	0	0	0	113.9	W94	W94-S369 WeakPolarHBondContact CZ2-OG 3.39Å
370	S	97.3	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-117.3	160.9	173.9	-178.8	0	0	0	0	110.1	N95 R368 H372	N95-S370 WeakPolarHBondContact O-CB 3.37Å; N95-S370 PolarHBondContact O-OG 2.79Å; R368-S370 PolarHBondContact O-N 3.02Å; S370-H372 PolarHBondContact O-N 3.29Å; S370-H372 PolarHBondContact OG-N 3.35Å
371	D	97.7	Very high	97.2	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.037	11%	0.106	C	C	.	.	S	Bend	trans	-74.6	-4.8	170	65.4	-25.1	0	0	0	112.8	L97 K323 F324 L326	L97-D371 HydrophobicContact CD2-CB 4.37Å; K323-D371 WeakPolarHBondContact CA-O 3.2Å; K323-D371 VanDerWaalsContact CE-OD2 3.31Å; K323-D371 WeakPolarHBondContact CE-OD2 3.27Å; K323-D371 HydrophobicContact CG-CB 3.82Å; K323-D371 IonicContact NZ-OD2 2.77Å; K323-D371 PolarHBondContact NZ-OD2 2.95Å; F324-D371 PolarHBondContact N-O 3.42Å; F324-D371 WeakPolarHBondContact O-CA 3.48Å; F324-D371 WeakPolarHBondContact O-CB 3.44Å; L326-D371 HydrophobicContact CD2-CB 4.43Å
372	H	98.5	Very high	97.3	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.028	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-107	144.6	165.5	-69.2	-112.5	0	0	0	111.9	W94 N95 D264 T321 Y322 T343 D344 S370	W94-H372 PolarHBondContact NE1-O 2.88Å; N95-H372 HydrophobicContact CB-CB 4.1Å; D264-H372 IonicContact OD2-CE1 3.67Å; D264-H372 PolarHBondContact OD2-CE1 3.33Å; D264-H372 IonicContact OD2-NE2 3.99Å; T321-H372 CarbonylContact O-C 3.4Å; T321-H372 WeakPolarHBondContact O-CA 3.16Å; Y322-H372 AromaticContact CD2-CD2 3.55Å; Y322-H372 AromaticContact CD2-CE1 3.27Å; Y322-H372 WeakPolarHBondContact CD2-CE1 3.04Å; Y322-H372 AromaticContact CD2-CG 3.93Å; Y322-H372 AromaticContact CD2-ND1 3.76Å; Y322-H372 AromaticContact CD2-NE2 3.09Å; Y322-H372 WeakPolarHBondContact CD2-NE2 3.41Å; Y322-H372 AromaticContact CE2-CE1 3.91Å; Y322-H372 AromaticContact CE2-NE2 3.39Å; Y322-H372 WeakPolarHBondContact CE2-NE2 3.48Å; Y322-H372 AromaticContact CG-CE1 3.85Å; T343-H372 PolarHBondContact OG1-CE1 2.64Å; T343-H372 PolarHBondContact OG1-ND1 2.72Å; D344-H372 IonicContact OD1-ND1 3.94Å; D344-H372 IonicContact OD2-CE1 2.98Å; D344-H372 IonicContact OD2-CG 3.92Å; D344-H372 IonicContact OD2-ND1 3.2Å; D344-H372 PolarHBondContact OD2-ND1 3.24Å; S370-H372 PolarHBondContact O-N 3.29Å; S370-H372 PolarHBondContact OG-N 3.35Å
373	R	98.1	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.			trans	-88.1	136.1	164.6	-66	-64.2	-176.3	-87.3	-2.5	110.3	T321 F324 S328 D329 I367	T321-R373 HydrophobicContact CG2-CB 4.1Å; T321-R373 PolarHBondContact O-N 2.67Å; F324-R373 HydrophobicContact CD2-CG 3.95Å; F324-R373 HydrophobicContact CE2-CG 3.57Å; F324-R373 HydrophobicContact CZ-CG 4.23Å; S328-R373 PolarHBondContact O-NH2 2.9Å; D329-R373 IonicContact OD1-CZ 2.63Å; D329-R373 IonicContact OD1-NH2 3.27Å; D329-R373 PolarHBondContact OD1-NH2 2.88Å; I367-R373 VanDerWaalsContact O-CD 3.28Å; I367-R373 WeakPolarHBondContact O-CD 3.47Å
374	P	98.5	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.			trans	-58.9	148.3	169.9	-15.1	24.8	0	0	0	111.1	T93 W94 L111 S363 I364 I367	T93-P374 VanDerWaalsContact O-CA 3.31Å; T93-P374 WeakPolarHBondContact O-CA 3.37Å; W94-P374 HydrophobicContact CB-CB 4.03Å; W94-P374 HydrophobicContact CB-CG 4.26Å; W94-P374 HydrophobicContact CD2-CG 3.98Å; W94-P374 HydrophobicContact CG-CB 4.03Å; W94-P374 HydrophobicContact CG-CG 3.72Å; L111-P374 HydrophobicContact CD2-CB 3.82Å; L111-P374 HydrophobicContact CD2-CG 3.87Å; S363-P374 CarbonylContact C-O 3.51Å; S363-P374 WeakPolarHBondContact CA-O 3.38Å; I364-P374 HydrophobicContact CB-CB 4.03Å; I364-P374 HydrophobicContact CB-CG 4.21Å; I364-P374 HydrophobicContact CD1-CB 4.08Å; I364-P374 HydrophobicContact CG1-CB 4.28Å; I364-P374 PolarHBondContact N-O 2.93Å; I367-P374 HydrophobicContact CB-CG 4Å; I367-P374 HydrophobicContact CD1-CG 4.26Å; I367-P374 HydrophobicContact CG2-CG 4.07Å
375	V	98.6	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.3	172.8	176.6	0	0	0	0	108	V92 T93 F318 T321 D344 I346 Y361 N362	V92-V375 CarbonylContact C-O 3.56Å; V92-V375 VanDerWaalsContact CA-O 3.3Å; V92-V375 WeakPolarHBondContact CA-O 3.41Å; T93-V375 HydrophobicContact CG2-CB 4.03Å; T93-V375 PolarHBondContact N-O 2.84Å; T93-V375 PolarHBondContact O-N 3.02Å; F318-V375 HydrophobicContact CE2-CG2 4.17Å; F318-V375 HydrophobicContact CZ-CG1 3.93Å; F318-V375 HydrophobicContact CZ-CG2 4.41Å; T321-V375 HydrophobicContact CG2-CG2 3.69Å; D344-V375 HydrophobicContact CB-CB 4.5Å; D344-V375 HydrophobicContact CB-CG2 3.93Å; I346-V375 HydrophobicContact CD1-CG1 4.11Å; I346-V375 HydrophobicContact CG1-CG1 4.39Å; Y361-V375 HydrophobicContact CD2-CG1 4.03Å; Y361-V375 HydrophobicContact CE2-CG1 3.31Å; N362-V375 WeakPolarHBondContact O-CA 3.45Å
376	F	98.4	Very high	96.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.3	172.9	79.3	-86.1	0	0	0	111.5	Q90 V91 V92 D360 Y361 N362 I364	Q90-F376 HydrophobicContact CG-CB 4.39Å; Q90-F376 HydrophobicContact CG-CD2 4.33Å; V91-F376 CarbonylContact O-C 3.6Å; V91-F376 WeakPolarHBondContact O-CA 3.35Å; V92-F376 HydrophobicContact CG2-CB 4.02Å; D360-F376 HydrophobicContact CB-CE2 4.24Å; D360-F376 WeakPolarHBondContact OD2-CZ 3.19Å; Y361-F376 WeakPolarHBondContact CA-O 3.44Å; Y361-F376 VanDerWaalsContact CD2-O 3.29Å; Y361-F376 WeakPolarHBondContact CD2-O 3.09Å; N362-F376 HydrophobicContact CB-CD1 4.4Å; N362-F376 HydrophobicContact CB-CE1 3.62Å; N362-F376 HydrophobicContact CB-CZ 3.79Å; N362-F376 PolarHBondContact N-O 2.56Å; N362-F376 WeakPolarHBondContact O-CD1 3.43Å; N362-F376 PolarHBondContact O-N 3.38Å; I364-F376 HydrophobicContact CD1-CB 4.45Å; I364-F376 HydrophobicContact CD1-CD1 4.04Å; I364-F376 HydrophobicContact CG1-CD1 3.68Å; I364-F376 HydrophobicContact CG1-CE1 4.28Å
377	A	98.3	Very high	96.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.008	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.5	168.3	0	0	0	0	0	109.5	Q90 V91 I346 D360 Y361 F379	Q90-A377 WeakPolarHBondContact CA-O 3.49Å; V91-A377 PolarHBondContact N-O 3.27Å; V91-A377 PolarHBondContact O-N 2.79Å; I346-A377 HydrophobicContact CB-CB 4.14Å; I346-A377 HydrophobicContact CD1-CB 3.9Å; I346-A377 HydrophobicContact CG2-CB 3.91Å; D360-A377 CarbonylContact O-C 3.51Å; D360-A377 VanDerWaalsContact O-CA 3.23Å; D360-A377 WeakPolarHBondContact O-CA 3.37Å; Y361-A377 HydrophobicContact CD2-CB 3.69Å; Y361-A377 HydrophobicContact CE2-CB 4.29Å; Y361-A377 HydrophobicContact CG-CB 4.41Å; A377-F379 HydrophobicContact CB-CD2 4.39Å; A377-F379 HydrophobicContact CB-CE1 4.35Å; A377-F379 HydrophobicContact CB-CE2 3.44Å; A377-F379 VanDerWaalsContact CB-CE2 3.44Å; A377-F379 HydrophobicContact CB-CZ 3.41Å; A377-F379 VanDerWaalsContact CB-CZ 3.41Å; A377-F379 WeakPolarHBondContact O-CE2 3.48Å
378	L	97.9	Very high	95.4	Very high	11 Å²	11	18 Å²	18	6%	0.058	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.4	175.3	-179.6	66.4	0	0	0	109	D88 Q90 A121 C358 L359 D360	D88-L378 HydrophobicContact CB-CD1 4.13Å; Q90-L378 HydrophobicContact CB-CD1 4.08Å; A121-L378 HydrophobicContact CB-CD1 4.1Å; C358-L378 CarbonylContact C-O 3.59Å; L359-L378 HydrophobicContact CB-CB 4.48Å; L359-L378 HydrophobicContact CB-CD2 4.27Å; L359-L378 HydrophobicContact CB-CG 4.25Å; L359-L378 HydrophobicContact CD1-CD2 4.17Å; L359-L378 HydrophobicContact CD1-CG 4.22Å; L359-L378 PolarHBondContact N-O 3.45Å; D360-L378 HydrophobicContact CB-CB 4.05Å; D360-L378 PolarHBondContact N-O 3.1Å; D360-L378 PolarHBondContact O-N 3.36Å
379	F	98	Very high	94.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.6	-178.2	-56.3	-85.9	0	0	0	111.5	D88 I89 V91 F260 I346 F348 L356 I357 C358 A377	D88-F379 CarbonylContact C-O 3.52Å; D88-F379 WeakPolarHBondContact CA-O 3.29Å; I89-F379 PolarHBondContact N-O 2.8Å; I89-F379 WeakPolarHBondContact O-CD2 3.49Å; I89-F379 PolarHBondContact O-N 3.22Å; V91-F379 HydrophobicContact CB-CE2 4.26Å; V91-F379 HydrophobicContact CG2-CD2 4.29Å; V91-F379 HydrophobicContact CG2-CE2 3.93Å; F260-F379 AromaticContact CD1-CD2 3.99Å; F260-F379 HydrophobicContact CD1-CD2 3.99Å; F260-F379 AromaticContact CD1-CE2 3.79Å; F260-F379 HydrophobicContact CD1-CE2 3.79Å; F260-F379 HydrophobicContact CD1-CZ 4.19Å; F260-F379 HydrophobicContact CE1-CB 4.18Å; F260-F379 HydrophobicContact CE1-CD1 4.07Å; F260-F379 AromaticContact CE1-CD2 3.42Å; F260-F379 HydrophobicContact CE1-CD2 3.42Å; F260-F379 VanDerWaalsContact CE1-CD2 3.42Å; F260-F379 HydrophobicContact CE1-CE1 4.35Å; F260-F379 AromaticContact CE1-CE2 3.71Å; F260-F379 HydrophobicContact CE1-CE2 3.71Å; F260-F379 AromaticContact CE1-CG 3.62Å; F260-F379 HydrophobicContact CE1-CG 3.62Å; F260-F379 HydrophobicContact CE1-CZ 4.17Å; F260-F379 HydrophobicContact CZ-CB 4.49Å; F260-F379 HydrophobicContact CZ-CD2 4.32Å; F260-F379 HydrophobicContact CZ-CG 4.39Å; I346-F379 HydrophobicContact CG2-CE2 4.17Å; I346-F379 HydrophobicContact CG2-CZ 4.04Å; F348-F379 HydrophobicContact CB-CE1 4.03Å; F348-F379 HydrophobicContact CB-CZ 4.25Å; F348-F379 HydrophobicContact CD1-CD1 4.31Å; F348-F379 AromaticContact CD1-CE1 3.29Å; F348-F379 HydrophobicContact CD1-CE1 3.29Å; F348-F379 AromaticContact CD1-CZ 3.83Å; F348-F379 HydrophobicContact CD1-CZ 3.83Å; F348-F379 HydrophobicContact CD2-CE1 4.26Å; F348-F379 AromaticContact CE1-CE1 3.7Å; F348-F379 HydrophobicContact CE1-CE1 3.7Å; F348-F379 HydrophobicContact CE1-CZ 4.5Å; F348-F379 HydrophobicContact CG-CD1 4.29Å; F348-F379 AromaticContact CG-CE1 3.59Å; F348-F379 HydrophobicContact CG-CE1 3.59Å; F348-F379 HydrophobicContact CG-CZ 4.22Å; F348-F379 HydrophobicContact CZ-CE1 4.31Å; L356-F379 HydrophobicContact CD1-CB 3.68Å; L356-F379 HydrophobicContact CD1-CD1 4.3Å; L356-F379 HydrophobicContact CD1-CG 4.23Å; L356-F379 HydrophobicContact CG-CD1 4.34Å; I357-F379 CarbonylContact O-C 3.54Å; I357-F379 WeakPolarHBondContact O-CA 3.37Å; C358-F379 HydrophobicContact CB-CD1 3.9Å; C358-F379 HydrophobicContact CB-CE1 3.73Å; A377-F379 HydrophobicContact CB-CD2 4.39Å; A377-F379 HydrophobicContact CB-CE1 4.35Å; A377-F379 HydrophobicContact CB-CE2 3.44Å; A377-F379 VanDerWaalsContact CB-CE2 3.44Å; A377-F379 HydrophobicContact CB-CZ 3.41Å; A377-F379 VanDerWaalsContact CB-CZ 3.41Å; A377-F379 WeakPolarHBondContact O-CE2 3.48Å
380	S	97.5	Very high	94.2	Very high	23 Å²	23	16.6 Å²	16.6	16%	0.161	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.3	163.8	-155.6	0	0	0	0	109.7	D88 L356 I357	D88-S380 PolarHBondContact OD1-OG 3.4Å; L356-S380 WeakPolarHBondContact CA-O 3.37Å; I357-S380 PolarHBondContact N-O 3.17Å; I357-S380 PolarHBondContact O-N 3.49Å
381	L	98.5	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124	-178.2	173.2	58.2	0	0	0	111.2	N86 I87 I89 T204 I206 V258 N355 L356 L383	N86-L381 WeakPolarHBondContact CA-O 3.49Å; I87-L381 HydrophobicContact CG1-CB 4.31Å; I87-L381 PolarHBondContact N-O 3.36Å; I87-L381 PolarHBondContact O-N 3.18Å; I89-L381 HydrophobicContact CD1-CB 4.23Å; I89-L381 HydrophobicContact CD1-CD2 3.59Å; T204-L381 HydrophobicContact CG2-CD2 4.17Å; I206-L381 HydrophobicContact CD1-CD2 3.99Å; I206-L381 HydrophobicContact CG1-CD2 4.31Å; V258-L381 HydrophobicContact CG2-CD1 3.55Å; V258-L381 HydrophobicContact CG2-CD2 4.23Å; N355-L381 WeakPolarHBondContact O-CA 3.31Å; N355-L381 WeakPolarHBondContact O-CD1 3.18Å; L356-L381 HydrophobicContact CD1-CB 4.04Å; L356-L381 HydrophobicContact CD1-CD1 4.32Å; L381-L383 HydrophobicContact CD2-CD2 4.16Å; L381-L383 HydrophobicContact CG-CD2 4.3Å; L381-L383 PolarHBondContact O-N 3.36Å
382	V	98.2	Very high	93.3	Very high	46 Å²	46	20.6 Å²	20.6	28%	0.279	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.4	168.1	-171.3	0	0	0	0	109.9	N86 N355	N86-V382 WeakPolarHBondContact OD1-CA 3.41Å; N86-V382 WeakPolarHBondContact OD1-CG2 3.44Å; N355-V382 HydrophobicContact CB-CB 4.34Å; N355-V382 PolarHBondContact O-N 3.3Å
383	L	97.4	Very high	93	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.042	12%	0.121	C	C	.	.			trans	-79.9	148.3	175	-63.3	-177.2	0	0	0	112	L78 I82 S85 I87 L201 F202 T204 L381	L78-L383 HydrophobicContact CD1-CB 4.08Å; L78-L383 HydrophobicContact CD1-CD1 4.09Å; L78-L383 HydrophobicContact CD2-CB 4.24Å; I82-L383 HydrophobicContact CD1-CD1 3.5Å; S85-L383 WeakPolarHBondContact O-CB 3.28Å; S85-L383 PolarHBondContact O-N 3.42Å; I87-L383 HydrophobicContact CD1-CD1 4.23Å; I87-L383 HydrophobicContact CD1-CD2 3.98Å; I87-L383 HydrophobicContact CD1-CG 4.36Å; I87-L383 HydrophobicContact CG1-CD1 4.21Å; I87-L383 HydrophobicContact CG1-CD2 4.06Å; I87-L383 HydrophobicContact CG1-CG 4.08Å; I87-L383 HydrophobicContact CG2-CD1 3.8Å; I87-L383 HydrophobicContact CG2-CG 4.37Å; L201-L383 HydrophobicContact CD2-CD1 3.94Å; L201-L383 HydrophobicContact CD2-CD2 4.06Å; L201-L383 HydrophobicContact CG-CD1 4.16Å; L201-L383 HydrophobicContact CG-CD2 4.31Å; F202-L383 HydrophobicContact CD2-CD1 4.16Å; T204-L383 HydrophobicContact CG2-CD2 4.48Å; T204-L383 WeakPolarHBondContact OG1-CA 3.37Å; L381-L383 HydrophobicContact CD2-CD2 4.16Å; L381-L383 HydrophobicContact CG-CD2 4.3Å; L381-L383 PolarHBondContact O-N 3.36Å
384	R	94.5	Very high	92.5	Very high	96 Å²	96	23.5 Å²	23.5	36%	0.362	14%	0.144	S	C	.	.			trans	-105.1	142.1	173.5	-174.8	174.6	53.6	92.2	-16.2	108.8	F202 G203 T204 D257	F202-R384 WeakPolarHBondContact CB-O 3.45Å; G203-R384 VanDerWaalsContact CA-O 3.29Å; G203-R384 WeakPolarHBondContact CA-O 3.36Å; G203-R384 PolarHBondContact N-O 2.93Å; G203-R384 PolarHBondContact O-NE 3.4Å; G203-R384 PolarHBondContact O-NH2 3.06Å; T204-R384 PolarHBondContact OG1-N 3.06Å; D257-R384 IonicContact OD2-NH2 2.85Å; D257-R384 PolarHBondContact OD2-NH2 3.03Å
385	P	92.7	Very high	92.2	Very high	29 Å²	29	24.4 Å²	24.4	19%	0.188	15%	0.153	C	C	.	.			trans	-61.2	143.9	167.5	27.2	-36.6	0	0	0	111.5	L73 I75	L73-P385 CarbonylContact O-C 3.42Å; L73-P385 WeakPolarHBondContact O-CA 3.25Å; I75-P385 HydrophobicContact CB-CB 4.04Å; I75-P385 HydrophobicContact CB-CG 4.17Å; I75-P385 HydrophobicContact CD1-CB 4.46Å; I75-P385 HydrophobicContact CD1-CG 4.17Å
386	G	88.8	Confident	92	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	18%	0.177	C	C	.	.			trans	-100.8	178.8	178.7	0	0	0	0	0	113.7	L73	L73-G386 CarbonylContact C-O 3.52Å; L73-G386 PolarHBondContact O-N 2.76Å
387	S	83.5	Confident	92	Very high	22 Å²	22	30.4 Å²	30.4	15%	0.154	19%	0.19	C	C	.	.			trans	-110.2	144.4	166.6	41.8	0	0	0	0	109.5	N389	S387-N389 WeakPolarHBondContact CB-OD1 3.37Å; S387-N389 PolarHBondContact O-N 3.4Å; S387-N389 PolarHBondContact O-OD1 3.46Å; S387-N389 VanDerWaalsContact OG-CG 3.26Å; S387-N389 PolarHBondContact OG-ND2 2.98Å; S387-N389 PolarHBondContact OG-OD1 3.21Å
388	D	80.1	Confident	92	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	43.4	-178.9	-47.6	-65.9	0	0	0	112.4	L61 G63 S71 L72 L73	L61-D388 CarbonylContact C-O 3.5Å; G63-D388 VanDerWaalsContact CA-OD2 3.24Å; G63-D388 WeakPolarHBondContact CA-OD2 3.36Å; S71-D388 WeakPolarHBondContact CA-OD2 3.2Å; S71-D388 VanDerWaalsContact CB-OD2 3.25Å; S71-D388 WeakPolarHBondContact CB-OD2 3.33Å; S71-D388 PolarHBondContact OG-OD2 3.23Å; L72-D388 WeakPolarHBondContact CA-OD1 3.1Å; L72-D388 WeakPolarHBondContact CB-OD1 3.46Å; L72-D388 PolarHBondContact N-OD1 3.47Å; L72-D388 PolarHBondContact N-OD2 3.25Å; L73-D388 PolarHBondContact N-OD1 2.98Å
389	N	80.8	Confident	92	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	8.4	-177.6	69	-7.2	0	0	0	113	K243 S387	K243-N389 WeakPolarHBondContact CD-O 3.15Å; S387-N389 WeakPolarHBondContact CB-OD1 3.37Å; S387-N389 PolarHBondContact O-N 3.4Å; S387-N389 PolarHBondContact O-OD1 3.46Å; S387-N389 VanDerWaalsContact OG-CG 3.26Å; S387-N389 PolarHBondContact OG-ND2 2.98Å; S387-N389 PolarHBondContact OG-OD1 3.21Å
390	I	85.1	Confident	92	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.072	27%	0.267	C	S	.	.	S	Bend	trans	-97.8	148.9	174.7	66.3	174.8	0	0	0	110	L73 I200 L392	L73-I390 HydrophobicContact CD1-CD1 3.58Å; L73-I390 HydrophobicContact CD1-CG1 3.67Å; I200-I390 HydrophobicContact CB-CD1 4.05Å; I200-I390 HydrophobicContact CD1-CG2 4Å; I200-I390 HydrophobicContact CG2-CD1 3.93Å; I390-L392 HydrophobicContact CD1-CD2 4.22Å; I390-L392 HydrophobicContact CG1-CD2 4.28Å; I390-L392 HydrophobicContact CG1-CG 4.5Å; I390-L392 PolarHBondContact O-N 2.84Å
391	A	86.9	Confident	92.1	Very high	65 Å²	65	48 Å²	48	54%	0.537	27%	0.265	S	S	.	.			trans	-73.6	108.1	173.3	0	0	0	0	0	109.4	S176 V177	S176-A391 CarbonylContact C-O 3.6Å; S176-A391 WeakPolarHBondContact CA-O 3.45Å; S176-A391 WeakPolarHBondContact CB-O 3.44Å; V177-A391 HydrophobicContact CG2-CB 4.25Å; V177-A391 PolarHBondContact N-O 3.17Å
392	L	89.7	Confident	92.1	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.136	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-75.8	145.6	178.1	-71.5	168.4	0	0	0	111.7	Y60 L73 T175 I390 A394	Y60-L392 HydrophobicContact CD1-CD1 3.65Å; Y60-L392 HydrophobicContact CE1-CD1 4.26Å; L73-L392 HydrophobicContact CD1-CD2 4.15Å; L73-L392 HydrophobicContact CD2-CD2 4.12Å; T175-L392 WeakPolarHBondContact O-CD2 3.27Å; I390-L392 HydrophobicContact CD1-CD2 4.22Å; I390-L392 HydrophobicContact CG1-CD2 4.28Å; I390-L392 HydrophobicContact CG1-CG 4.5Å; I390-L392 PolarHBondContact O-N 2.84Å; L392-A394 PolarHBondContact O-N 3.43Å
393	A	91.8	Very high	92.1	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	27%	0.273	C	S	.	.			trans	-66.4	-22.3	171	0	0	0	0	0	112.1	F153 T175 G395 A396	F153-A393 HydrophobicContact CE2-CB 3.73Å; F153-A393 HydrophobicContact CZ-CB 4.26Å; T175-A393 WeakPolarHBondContact O-CB 3.11Å; T175-A393 PolarHBondContact O-N 3Å; A393-G395 VanDerWaalsContact C-N 3.29Å; A393-G395 PolarHBondContact O-N 3.38Å; A393-A396 WeakPolarHBondContact O-CB 3.29Å; A393-A396 PolarHBondContact O-N 2.56Å
394	A	87.8	Confident	92.1	Very high	59 Å²	59	51.6 Å²	51.6	49%	0.488	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	44.6	171.4	0	0	0	0	0	113.6	W173 L392	W173-A394 VanDerWaalsContact CZ3-C 3.4Å; W173-A394 VanDerWaalsContact CZ3-O 3.3Å; W173-A394 WeakPolarHBondContact CZ3-O 3.39Å; L392-A394 PolarHBondContact O-N 3.43Å
395	G	92.1	Very high	92.3	Very high	18 Å²	18	47 Å²	47	19%	0.186	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	5.1	179.8	0	0	0	0	0	115.3	A393 F397	A393-G395 VanDerWaalsContact C-N 3.29Å; A393-G395 PolarHBondContact O-N 3.38Å; G395-F397 VanDerWaalsContact O-CD1 3.22Å; G395-F397 WeakPolarHBondContact O-CD1 3.07Å; G395-F397 PolarHBondContact O-N 3.36Å
396	A	94.7	Very high	92.5	Very high	61 Å²	61	47.4 Å²	47.4	50%	0.504	27%	0.267	S	S	.	.			trans	-75.7	121.7	176.3	0	0	0	0	0	112.6	I172 A393	I172-A396 WeakPolarHBondContact CD1-O 2.98Å; A393-A396 WeakPolarHBondContact O-CB 3.29Å; A393-A396 PolarHBondContact O-N 2.56Å
397	F	97.9	Very high	92.9	Very high	67 Å²	67	53.2 Å²	53.2	29%	0.294	29%	0.294	S	S	.	.			trans	-148.6	175.6	173.4	65	-85.9	0	0	0	110.2	V151 I172 G395 R399 Y402	V151-F397 HydrophobicContact CB-CB 4.03Å; V151-F397 HydrophobicContact CB-CD1 4.45Å; V151-F397 HydrophobicContact CB-CD2 3.64Å; V151-F397 HydrophobicContact CB-CE2 4.21Å; V151-F397 HydrophobicContact CB-CG 3.79Å; V151-F397 HydrophobicContact CG1-CD1 4.31Å; V151-F397 HydrophobicContact CG1-CD2 3.72Å; V151-F397 HydrophobicContact CG1-CE1 4.36Å; V151-F397 HydrophobicContact CG1-CE2 3.75Å; V151-F397 HydrophobicContact CG1-CG 4.01Å; V151-F397 HydrophobicContact CG1-CZ 4.09Å; V151-F397 HydrophobicContact CG2-CB 3.87Å; V151-F397 HydrophobicContact CG2-CD1 4.4Å; V151-F397 HydrophobicContact CG2-CD2 4.34Å; V151-F397 HydrophobicContact CG2-CG 3.97Å; I172-F397 HydrophobicContact CD1-CB 3.8Å; I172-F397 HydrophobicContact CD1-CD1 3.67Å; I172-F397 HydrophobicContact CD1-CG 4.17Å; G395-F397 VanDerWaalsContact O-CD1 3.22Å; G395-F397 WeakPolarHBondContact O-CD1 3.07Å; G395-F397 PolarHBondContact O-N 3.36Å; F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 HydrophobicContact CE2-CB 4.2Å; F397-R399 PolarHBondContact O-N 2.98Å; F397-Y402 HydrophobicContact CE2-CD1 4.15Å; F397-Y402 HydrophobicContact CE2-CD2 4.42Å; F397-Y402 AromaticContact CE2-CG 3.84Å; F397-Y402 HydrophobicContact CE2-CG 3.84Å
398	N	98.3	Very high	93.4	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	30%	0.302	C	S	.	.			trans	-74	81.1	178.4	-66.3	-87	0	0	0	111.6	L152 F153 E400 V401 Y402	L152-N398 HydrophobicContact CB-CB 4.18Å; L152-N398 HydrophobicContact CD2-CB 3.9Å; L152-N398 HydrophobicContact CG-CB 4.09Å; L152-N398 WeakPolarHBondContact O-CB 3.49Å; L152-N398 PolarHBondContact O-N 3.1Å; L152-N398 PolarHBondContact O-ND2 2.97Å; F153-N398 PolarHBondContact O-ND2 3.2Å; N398-E400 VanDerWaalsContact C-N 3.35Å; N398-E400 PolarHBondContact O-N 3.01Å; N398-V401 HydrophobicContact CB-CB 4.21Å; N398-V401 HydrophobicContact CB-CG2 4.25Å; N398-V401 PolarHBondContact O-N 2.86Å; N398-Y402 PolarHBondContact O-N 2.66Å
399	R	97.9	Very high	94.1	Very high	171 Å²	171	60 Å²	60	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-60.8	-38.7	-174.9	-172	176.9	-175.7	-89.1	0.3	113.7	F397 Y402 I403	F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 HydrophobicContact CE2-CB 4.2Å; F397-R399 PolarHBondContact O-N 2.98Å; R399-Y402 WeakPolarHBondContact O-CB 3.41Å; R399-Y402 PolarHBondContact O-N 3.43Å; R399-I403 HydrophobicContact CG-CD1 4.03Å; R399-I403 WeakPolarHBondContact O-CG1 3.26Å; R399-I403 PolarHBondContact O-N 3.48Å
400	E	98.3	Very high	94.8	Very high	170 Å²	170	58.6 Å²	58.6	79%	0.794	31%	0.314	S	S	*	.	H	α-helix	trans	-63.3	-46.8	179.7	-65.1	178.9	-179.7	0	0	111.6	N398 Y402 I403 A404	N398-E400 VanDerWaalsContact C-N 3.35Å; N398-E400 PolarHBondContact O-N 3.01Å; E400-Y402 VanDerWaalsContact C-N 3.32Å; E400-Y402 PolarHBondContact O-N 3.49Å; E400-I403 PolarHBondContact O-N 3.1Å; E400-A404 WeakPolarHBondContact O-CB 3.43Å; E400-A404 PolarHBondContact O-N 2.79Å
401	V	98.4	Very high	95.1	Very high	17 Å²	17	63 Å²	63	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-41.1	175.3	177.5	0	0	0	0	110.9	L139 V140 Q143 L152 N398 A404 G405	L139-V401 HydrophobicContact CB-CG1 3.96Å; L139-V401 HydrophobicContact CB-CG2 4.25Å; L139-V401 HydrophobicContact CD1-CG2 4.43Å; V140-V401 HydrophobicContact CG2-CG1 4.45Å; Q143-V401 HydrophobicContact CB-CG1 3.86Å; Q143-V401 HydrophobicContact CG-CG1 4.25Å; L152-V401 HydrophobicContact CB-CG1 4.5Å; L152-V401 HydrophobicContact CD2-CB 4.16Å; L152-V401 HydrophobicContact CD2-CG1 3.89Å; L152-V401 HydrophobicContact CD2-CG2 4.13Å; N398-V401 HydrophobicContact CB-CB 4.21Å; N398-V401 HydrophobicContact CB-CG2 4.25Å; N398-V401 PolarHBondContact O-N 2.86Å; V401-A404 PolarHBondContact O-N 3.15Å; V401-G405 PolarHBondContact O-N 2.81Å
402	Y	98.5	Very high	95.1	Very high	37 Å²	37	64.3 Å²	64.3	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-58.4	-48.4	176.2	-174	-104.2	0	0	0	112.5	Q143 I148 H150 V151 F397 N398 R399 E400 N406	Q143-Y402 HydrophobicContact CG-CD2 4.45Å; I148-Y402 PolarHBondContact O-OH 2.83Å; H150-Y402 WeakPolarHBondContact O-CE2 3.35Å; V151-Y402 HydrophobicContact CB-CD2 4.46Å; V151-Y402 HydrophobicContact CG1-CD2 3.74Å; V151-Y402 HydrophobicContact CG1-CE2 3.77Å; V151-Y402 HydrophobicContact CG1-CG 4.42Å; F397-Y402 HydrophobicContact CE2-CD1 4.15Å; F397-Y402 HydrophobicContact CE2-CD2 4.42Å; F397-Y402 AromaticContact CE2-CG 3.84Å; F397-Y402 HydrophobicContact CE2-CG 3.84Å; N398-Y402 PolarHBondContact O-N 2.66Å; R399-Y402 WeakPolarHBondContact O-CB 3.41Å; R399-Y402 PolarHBondContact O-N 3.43Å; E400-Y402 VanDerWaalsContact C-N 3.32Å; E400-Y402 PolarHBondContact O-N 3.49Å; Y402-N406 WeakPolarHBondContact CD1-ND2 3.44Å; Y402-N406 WeakPolarHBondContact CE1-ND2 3.47Å; Y402-N406 VanDerWaalsContact CZ-ND2 3.32Å; Y402-N406 WeakPolarHBondContact O-CB 3.11Å; Y402-N406 PolarHBondContact O-N 2.83Å; Y402-N406 PolarHBondContact O-ND2 3.42Å; Y402-N406 VanDerWaalsContact O-ND2 3.16Å
403	I	98.4	Very high	95	Very high	62 Å²	62	66.9 Å²	66.9	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-49.2	178.7	-67.9	168.4	0	0	0	110.5	R399 E400 G405 N406 Q407	R399-I403 HydrophobicContact CG-CD1 4.03Å; R399-I403 WeakPolarHBondContact O-CG1 3.26Å; R399-I403 PolarHBondContact O-N 3.48Å; E400-I403 PolarHBondContact O-N 3.1Å; I403-G405 PolarHBondContact O-N 2.84Å; I403-N406 PolarHBondContact O-N 2.75Å; I403-Q407 WeakPolarHBondContact O-CG 3.36Å; I403-Q407 PolarHBondContact O-N 2.73Å
404	A	98.3	Very high	94.9	Very high	32 Å²	32	70.6 Å²	70.6	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-42.1	180	0	0	0	0	0	112.2	V140 E400 V401 N406 Q407 R408	V140-A404 HydrophobicContact CG1-CB 4.07Å; V140-A404 HydrophobicContact CG2-CB 3.79Å; E400-A404 WeakPolarHBondContact O-CB 3.43Å; E400-A404 PolarHBondContact O-N 2.79Å; V401-A404 PolarHBondContact O-N 3.15Å; A404-N406 PolarHBondContact O-N 3.2Å; A404-Q407 PolarHBondContact O-N 3.3Å; A404-R408 PolarHBondContact O-N 3.06Å
405	G	98	Very high	94.8	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.8	-42.4	175.7	0	0	0	0	0	112.1	A144 V401 I403 R408 R409	A144-G405 WeakPolarHBondContact CA-O 3.32Å; A144-G405 VanDerWaalsContact CB-O 3.25Å; A144-G405 WeakPolarHBondContact CB-O 3.32Å; V401-G405 PolarHBondContact O-N 2.81Å; I403-G405 PolarHBondContact O-N 2.84Å; G405-R408 PolarHBondContact O-N 3.24Å; G405-R409 WeakPolarHBondContact O-CB 3.37Å; G405-R409 PolarHBondContact O-N 2.89Å
406	N	97	Very high	94.4	Very high	37 Å²	37	77.8 Å²	77.8	20%	0.198	38%	0.379	C	S	.	.	H	α-helix	trans	-66.8	-40.1	176.9	-70.9	-22.8	0	0	0	112.7	I148 Y402 I403 A404 R409 A410	I148-N406 WeakPolarHBondContact CG2-OD1 3.25Å; Y402-N406 WeakPolarHBondContact CD1-ND2 3.44Å; Y402-N406 WeakPolarHBondContact CE1-ND2 3.47Å; Y402-N406 VanDerWaalsContact CZ-ND2 3.32Å; Y402-N406 WeakPolarHBondContact O-CB 3.11Å; Y402-N406 PolarHBondContact O-N 2.83Å; Y402-N406 PolarHBondContact O-ND2 3.42Å; Y402-N406 VanDerWaalsContact O-ND2 3.16Å; I403-N406 PolarHBondContact O-N 2.75Å; A404-N406 PolarHBondContact O-N 3.2Å; N406-R409 PolarHBondContact O-N 2.99Å; N406-A410 WeakPolarHBondContact O-CB 3.46Å; N406-A410 PolarHBondContact O-N 3.35Å
407	Q	97.1	Very high	93.9	Very high	123 Å²	123	81.5 Å²	81.5	58%	0.575	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-47.1	173.3	-72.1	172.4	-14.9	0	0	111.1	I403 A404 R409 A410 L411	I403-Q407 WeakPolarHBondContact O-CG 3.36Å; I403-Q407 PolarHBondContact O-N 2.73Å; A404-Q407 PolarHBondContact O-N 3.3Å; Q407-R409 VanDerWaalsContact C-N 3.32Å; Q407-R409 PolarHBondContact O-N 3.47Å; Q407-A410 PolarHBondContact O-N 3.32Å; Q407-L411 WeakPolarHBondContact O-CG 3.3Å; Q407-L411 PolarHBondContact O-N 3.44Å; Q407-L411 VanDerWaalsContact O-N 3.1Å
408	R	95.3	Very high	93.1	Very high	86 Å²	86	81.2 Å²	81.2	33%	0.325	39%	0.39	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.4	-175.5	68.1	68.3	85.3	9.3	111.7	E137 V140 A144 A404 G405 L411 R412	E137-R408 IonicContact OE1-CZ 2.75Å; E137-R408 IonicContact OE1-NH1 3.57Å; E137-R408 PolarHBondContact OE1-NH1 3.4Å; E137-R408 IonicContact OE1-NH2 3.34Å; E137-R408 PolarHBondContact OE1-NH2 3.34Å; E137-R408 IonicContact OE2-CZ 3.55Å; E137-R408 IonicContact OE2-NH1 2.84Å; E137-R408 IonicContact OE2-NH2 2.7Å; E137-R408 PolarHBondContact OE2-NH2 2.97Å; V140-R408 HydrophobicContact CG1-CB 4.45Å; A144-R408 HydrophobicContact CB-CB 4.11Å; A144-R408 HydrophobicContact CB-CG 4.19Å; A404-R408 PolarHBondContact O-N 3.06Å; G405-R408 PolarHBondContact O-N 3.24Å; R408-L411 PolarHBondContact O-N 3.07Å; R408-R412 PolarHBondContact O-N 2.92Å; R408-R412 VanDerWaalsContact O-N 3.09Å
409	R	94.4	Very high	92.1	Very high	84 Å²	84	87.5 Å²	87.5	32%	0.317	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-45.6	176.4	-174.4	179.9	-177.8	85.3	0.5	111.9	A144 A145 G405 N406 Q407 R412 L413	A144-R409 HydrophobicContact CB-CB 4.3Å; A144-R409 WeakPolarHBondContact O-CD 3.12Å; A144-R409 PolarHBondContact O-NH1 3.35Å; A145-R409 PolarHBondContact O-NH1 3.09Å; G405-R409 WeakPolarHBondContact O-CB 3.37Å; G405-R409 PolarHBondContact O-N 2.89Å; N406-R409 PolarHBondContact O-N 2.99Å; Q407-R409 VanDerWaalsContact C-N 3.32Å; Q407-R409 PolarHBondContact O-N 3.47Å; R409-R412 WeakPolarHBondContact O-CB 3.42Å; R409-R412 PolarHBondContact O-N 2.87Å; R409-L413 HydrophobicContact CG-CD1 4.25Å; R409-L413 WeakPolarHBondContact O-CG 3.41Å; R409-L413 PolarHBondContact O-N 3.22Å
410	A	94.1	Very high	90.8	Very high	46 Å²	46	86.5 Å²	86.5	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-58.2	-49.5	177.6	0	0	0	0	0	111.3	N406 Q407 R412 L413 D414	N406-A410 WeakPolarHBondContact O-CB 3.46Å; N406-A410 PolarHBondContact O-N 3.35Å; Q407-A410 PolarHBondContact O-N 3.32Å; A410-R412 PolarHBondContact O-N 2.83Å; A410-L413 PolarHBondContact O-N 3.3Å; A410-L413 VanDerWaalsContact O-N 3.08Å; A410-D414 PolarHBondContact O-N 3.16Å
411	L	92	Very high	89.4	Confident	106 Å²	106	81.9 Å²	81.9	56%	0.555	40%	0.397	S	S	*	.	H	α-helix	trans	-56.8	-38.6	176.4	-68.6	172.7	0	0	0	112.6	Q407 R408 K415	Q407-L411 WeakPolarHBondContact O-CG 3.3Å; Q407-L411 PolarHBondContact O-N 3.44Å; Q407-L411 VanDerWaalsContact O-N 3.1Å; R408-L411 PolarHBondContact O-N 3.07Å; L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 3.13Å; L411-K415 VanDerWaalsContact O-N 3.13Å
412	R	87.8	Confident	87.6	Confident	94 Å²	94	84.8 Å²	84.8	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-43.3	176.6	-177.5	177.3	172.2	-163.3	-6.3	112.1	D107 R408 R409 A410 D414 K415 L416	D107-R412 IonicContact OD1-CZ 3.68Å; D107-R412 IonicContact OD1-NH1 3.84Å; D107-R412 PolarHBondContact OD1-NH1 3.36Å; D107-R412 IonicContact OD1-NH2 3.44Å; D107-R412 IonicContact OD2-CZ 3.44Å; D107-R412 IonicContact OD2-NH1 3.47Å; D107-R412 PolarHBondContact OD2-NH1 3.04Å; D107-R412 IonicContact OD2-NH2 2.73Å; D107-R412 PolarHBondContact OD2-NH2 2.92Å; R408-R412 PolarHBondContact O-N 2.92Å; R408-R412 VanDerWaalsContact O-N 3.09Å; R409-R412 WeakPolarHBondContact O-CB 3.42Å; R409-R412 PolarHBondContact O-N 2.87Å; A410-R412 PolarHBondContact O-N 2.83Å; R412-D414 VanDerWaalsContact C-N 3.32Å; R412-D414 PolarHBondContact O-N 3.38Å; R412-K415 PolarHBondContact O-N 3.03Å; R412-L416 WeakPolarHBondContact O-CG 3.41Å; R412-L416 PolarHBondContact O-N 2.97Å; R412-L416 VanDerWaalsContact O-N 3.07Å
413	L	87.3	Confident	85.6	Confident	80 Å²	80	87.5 Å²	87.5	42%	0.419	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-37.7	177.8	-69.9	173	0	0	0	111.7	R409 A410 L416 K417	R409-L413 HydrophobicContact CG-CD1 4.25Å; R409-L413 WeakPolarHBondContact O-CG 3.41Å; R409-L413 PolarHBondContact O-N 3.22Å; A410-L413 PolarHBondContact O-N 3.3Å; A410-L413 VanDerWaalsContact O-N 3.08Å; L413-L416 HydrophobicContact CD2-CD1 4.49Å; L413-L416 PolarHBondContact O-N 3.46Å; L413-K417 WeakPolarHBondContact O-CG 3.43Å; L413-K417 PolarHBondContact O-N 3.11Å
414	D	89.8	Confident	83.5	Confident	87 Å²	87	92 Å²	92	47%	0.465	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-39	176.6	-68.5	-22.2	0	0	0	112	A410 R412 L416 K417 S418	A410-D414 PolarHBondContact O-N 3.16Å; R412-D414 VanDerWaalsContact C-N 3.32Å; R412-D414 PolarHBondContact O-N 3.38Å; D414-L416 VanDerWaalsContact C-N 3.29Å; D414-L416 PolarHBondContact O-N 3.5Å; D414-K417 PolarHBondContact O-N 2.82Å; D414-K417 IonicContact OD1-NZ 3.19Å; D414-S418 PolarHBondContact O-N 3.31Å; D414-S418 PolarHBondContact O-OG 3.44Å
415	K	85.7	Confident	81.4	Confident	146 Å²	146	94.2 Å²	94.2	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-61.8	-34.3	171	-73.9	177.4	-178.1	-178	0	113	L411 R412 S418 R419	L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 3.13Å; L411-K415 VanDerWaalsContact O-N 3.13Å; R412-K415 PolarHBondContact O-N 3.03Å; K415-S418 PolarHBondContact O-OG 2.83Å; K415-R419 WeakPolarHBondContact O-CG 3.34Å; K415-R419 PolarHBondContact O-N 3.38Å
416	L	83	Confident	79	Confident	81 Å²	81	104.9 Å²	104.9	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-72	-37.5	176	-72	171.2	0	0	0	111.7	R412 L413 D414 K420	R412-L416 WeakPolarHBondContact O-CG 3.41Å; R412-L416 PolarHBondContact O-N 2.97Å; R412-L416 VanDerWaalsContact O-N 3.07Å; L413-L416 HydrophobicContact CD2-CD1 4.49Å; L413-L416 PolarHBondContact O-N 3.46Å; D414-L416 VanDerWaalsContact C-N 3.29Å; D414-L416 PolarHBondContact O-N 3.5Å; L416-K420 PolarHBondContact O-N 3.3Å
417	K	84.7	Confident	76.5	Confident	139 Å²	139	109.1 Å²	109.1	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-45	174.4	-71.8	174	-176	169.4	0	111.9	L413 D414 R419 K420 S421	L413-K417 WeakPolarHBondContact O-CG 3.43Å; L413-K417 PolarHBondContact O-N 3.11Å; D414-K417 PolarHBondContact O-N 2.82Å; D414-K417 IonicContact OD1-NZ 3.19Å; K417-R419 VanDerWaalsContact C-N 3.34Å; K417-R419 PolarHBondContact O-N 3.15Å; K417-K420 PolarHBondContact O-N 3.38Å; K417-S421 PolarHBondContact O-N 2.56Å
418	S	81.6	Confident	73.7	Confident	61 Å²	61	108 Å²	108	43%	0.427	55%	0.545	S	S	.	.	H	α-helix	trans	-65.1	-36.7	179.2	65.4	0	0	0	0	112.5	D414 K415 S421 T422	D414-S418 PolarHBondContact O-N 3.31Å; D414-S418 PolarHBondContact O-OG 3.44Å; K415-S418 PolarHBondContact O-OG 2.83Å; S418-S421 PolarHBondContact O-N 3.32Å; S418-S421 PolarHBondContact O-OG 2.88Å; S418-T422 WeakPolarHBondContact O-CG2 3.26Å; S418-T422 PolarHBondContact O-N 3.11Å; S418-T422 PolarHBondContact O-OG1 3.5Å; S418-T422 VanDerWaalsContact O-OG1 3.13Å
419	R	75.6	Confident	71.1	Confident	179 Å²	179	110.7 Å²	110.7	68%	0.675	57%	0.571	S	S	*	*	H	α-helix	trans	-60.9	-45.1	172	-77.5	179.3	173.7	-178.1	-1.7	112	K415 K417 S421 T422 T423	K415-R419 WeakPolarHBondContact O-CG 3.34Å; K415-R419 PolarHBondContact O-N 3.38Å; K417-R419 VanDerWaalsContact C-N 3.34Å; K417-R419 PolarHBondContact O-N 3.15Å; R419-S421 PolarHBondContact O-N 2.96Å; R419-T422 PolarHBondContact O-N 3.02Å; R419-T422 PolarHBondContact O-OG1 3.16Å; R419-T423 PolarHBondContact O-N 3.16Å; R419-T423 VanDerWaalsContact O-N 3.11Å; R419-T423 PolarHBondContact O-OG1 3.11Å
420	K	72.5	Confident	68.4	Low	150 Å²	150	113.5 Å²	113.5	65%	0.652	59%	0.591	S	S	*	*	H	α-helix	trans	-63.4	-39	176.9	-73.2	-175.7	177.3	-173.5	0	113	L416 K417 T423 H424	L416-K420 PolarHBondContact O-N 3.3Å; K417-K420 PolarHBondContact O-N 3.38Å; K420-T423 WeakPolarHBondContact CA-OG1 3.4Å; K420-T423 PolarHBondContact O-OG1 3.41Å; K420-H424 PolarHBondContact O-CD2 2.88Å; K420-H424 VanDerWaalsContact O-CD2 3.3Å; K420-H424 PolarHBondContact O-N 3Å
421	S	68.9	Low	65.9	Low	73 Å²	73	123.9 Å²	123.9	51%	0.51	63%	0.631	S	S	.	*	H	α-helix	trans	-68	-39.5	176.9	70.1	0	0	0	0	112	K417 S418 R419 T423 H424 A425	K417-S421 PolarHBondContact O-N 2.56Å; S418-S421 PolarHBondContact O-N 3.32Å; S418-S421 PolarHBondContact O-OG 2.88Å; R419-S421 PolarHBondContact O-N 2.96Å; S421-T423 PolarHBondContact O-N 3.17Å; S421-H424 PolarHBondContact O-N 3.21Å; S421-A425 PolarHBondContact O-N 3.45Å
422	T	59.6	Low	64.6	Low	77 Å²	77	124.8 Å²	124.8	47%	0.472	64%	0.635	S	S	.	*	H	α-helix	trans	-67.9	-31	177.2	54.6	0	0	0	0	113.9	S418 R419 A425 R426	S418-T422 WeakPolarHBondContact O-CG2 3.26Å; S418-T422 PolarHBondContact O-N 3.11Å; S418-T422 PolarHBondContact O-OG1 3.5Å; S418-T422 VanDerWaalsContact O-OG1 3.13Å; R419-T422 PolarHBondContact O-N 3.02Å; R419-T422 PolarHBondContact O-OG1 3.16Å; T422-A425 PolarHBondContact O-N 3.39Å; T422-R426 PolarHBondContact O-N 3.2Å
423	T	57.3	Low	63.4	Low	94 Å²	94	126.4 Å²	126.4	58%	0.577	65%	0.65	S	S	*	*	H	α-helix	trans	-69.3	-33.6	174	40.8	0	0	0	0	112.7	R419 K420 S421	R419-T423 PolarHBondContact O-N 3.16Å; R419-T423 VanDerWaalsContact O-N 3.11Å; R419-T423 PolarHBondContact O-OG1 3.11Å; K420-T423 WeakPolarHBondContact CA-OG1 3.4Å; K420-T423 PolarHBondContact O-OG1 3.41Å; S421-T423 PolarHBondContact O-N 3.17Å
424	H	54.1	Low	62	Low	158 Å²	158	128.9 Å²	128.9	73%	0.731	66%	0.663	S	S	*	*	H	α-helix	trans	-74.5	-32.7	172.7	-76.9	-67.3	0	0	0	112.6	K420 S421 R426	K420-H424 PolarHBondContact O-CD2 2.88Å; K420-H424 VanDerWaalsContact O-CD2 3.3Å; K420-H424 PolarHBondContact O-N 3Å; S421-H424 PolarHBondContact O-N 3.21Å; H424-R426 VanDerWaalsContact C-N 3.29Å; H424-R426 PolarHBondContact O-N 3.29Å
425	A	53.6	Low	60.4	Low	77 Å²	77	131.4 Å²	131.4	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-70.8	-20.2	178.4	0	0	0	0	0	114.1	S421 T422 V427	S421-A425 PolarHBondContact O-N 3.45Å; T422-A425 PolarHBondContact O-N 3.39Å; A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 PolarHBondContact O-N 3.41Å
426	R	47.2	Very low	58.8	Low	224 Å²	224	130.5 Å²	130.5	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	5.2	179.5	-81.5	-173.2	173.7	-176.5	-1.8	115	T422 H424	T422-R426 PolarHBondContact O-N 3.2Å; H424-R426 VanDerWaalsContact C-N 3.29Å; H424-R426 PolarHBondContact O-N 3.29Å
427	V	45.7	Very low	57.2	Low	127 Å²	127	133.8 Å²	133.8	77%	0.77	69%	0.694	S	S	*	*	S	Bend	trans	-106.8	64.1	169.2	-168.4	0	0	0	0	109.2	A425	A425-V427 VanDerWaalsContact C-N 3.28Å; A425-V427 PolarHBondContact O-N 3.41Å
428	C	38	Very low	55.2	Low	99 Å²	99	133.4 Å²	133.4	67%	0.669	70%	0.7	S	S	*	*			trans	-162.5	88.8	156.2	-146.5	0	0	0	0	109.1
429	T	41	Very low	53.2	Low	142 Å²	142	139 Å²	139	87%	0.871	72%	0.721	S	S	*	*			trans	-124.8	107.4	152.9	-5.4	0	0	0	0	105.7
430	I	36.5	Very low	51.3	Low	144 Å²	144	135.7 Å²	135.7	74%	0.738	73%	0.725	S	S	*	*			trans	-80.6	133.1	168.1	-61.2	168.4	0	0	0	106.3
431	Q	41.8	Very low	49.4	Very low	263 Å²	263	134.4 Å²	134.4	100%	1.229	73%	0.732	S	S	*	*			trans	-149.5	0	132.2	-102.8	-176.8	-11.1	0	0	108.8

Retrieved 431 of 431 residues in 677.2 ms (Link to these results)

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