A0A3Q0KRN7_SCHMA Loading...

Xap-5 protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KRN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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	43.1	Very low	57.8	Low	243 Å²	243	129.8 Å²	129.8	100%	1.197	72%	0.719	S	S	*	*				0	134.2	0	-62.6	171.5	-176.8	0	0	107.6
2	A	52.8	Low	59.3	Low	103 Å²	103	130.1 Å²	130.1	85%	0.851	71%	0.711	S	S	*	*			trans	-106.2	115.3	178	0	0	0	0	0	109.9	F4	A2-F4 PolarHBondContact O-N 3.08Å
3	T	51.9	Low	60.7	Low	139 Å²	139	134.2 Å²	134.2	85%	0.853	71%	0.709	S	S	*	*			trans	-85.8	87	-178.5	37.1	0	0	0	0	110.7	K5	T3-K5 PolarHBondContact O-N 3.22Å; T3-K5 VanDerWaalsContact O-N 3.08Å
4	F	51.4	Low	62	Low	171 Å²	171	128.1 Å²	128.1	75%	0.75	69%	0.687	S	S	*	*			trans	-66.7	106.7	-179.8	-175.3	-101.5	0	0	0	111.6	A2 G6	A2-F4 PolarHBondContact O-N 3.08Å; F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 3.3Å
5	K	52.5	Low	63.5	Low	212 Å²	212	123.3 Å²	123.3	92%	0.922	67%	0.672	S	S	*	*			trans	-95	49.1	-176.4	-159.3	175.2	-178.1	178.9	0	112	T3	T3-K5 PolarHBondContact O-N 3.22Å; T3-K5 VanDerWaalsContact O-N 3.08Å
6	G	56.1	Low	64.8	Low	30 Å²	30	123.2 Å²	123.2	31%	0.309	67%	0.67	S	S	.	*			trans	-76.5	162.2	177.3	0	0	0	0	0	113.4	F4	F4-G6 VanDerWaalsContact C-N 3.32Å; F4-G6 PolarHBondContact O-N 3.3Å
7	A	62.1	Low	66.1	Low	66 Å²	66	120.6 Å²	120.6	55%	0.545	66%	0.655	S	S	.	*			trans	-69.5	154.9	-173.7	0	0	0	0	0	112.6	R9 E10 A11	A7-R9 PolarHBondContact O-N 2.82Å; A7-E10 WeakPolarHBondContact O-CA 3.42Å; A7-E10 WeakPolarHBondContact O-CB 3.49Å; A7-E10 PolarHBondContact O-N 2.98Å; A7-A11 PolarHBondContact O-N 3.01Å
8	A	64.1	Low	67.1	Low	80 Å²	80	120.6 Å²	120.6	66%	0.661	65%	0.651	S	S	*	*	H	α-helix	trans	-54.5	-28.9	-173	0	0	0	0	0	115.2	A11 Q12	A8-A11 PolarHBondContact O-N 3.34Å; A8-Q12 PolarHBondContact O-N 3.41Å; A8-Q12 VanDerWaalsContact O-N 3.1Å
9	R	64.3	Low	68.3	Low	219 Å²	219	121.8 Å²	121.8	83%	0.826	65%	0.65	S	S	*	*	H	α-helix	trans	-67.6	-33.7	173.4	-77	-177	167.8	177.6	-3.7	113.3	A7 R13	A7-R9 PolarHBondContact O-N 2.82Å; R9-R13 PolarHBondContact O-N 3.12Å; R9-R13 VanDerWaalsContact O-N 3.12Å
10	E	65.2	Low	69.4	Low	104 Å²	104	121.2 Å²	121.2	49%	0.486	64%	0.643	S	S	.	*	H	α-helix	trans	-71.8	-38.7	173	-64.8	-171.5	116.3	0	0	111.3	A7 Q12 R13 A14	A7-E10 WeakPolarHBondContact O-CA 3.42Å; A7-E10 WeakPolarHBondContact O-CB 3.49Å; A7-E10 PolarHBondContact O-N 2.98Å; E10-Q12 VanDerWaalsContact C-N 3.33Å; E10-Q12 PolarHBondContact O-N 2.81Å; E10-R13 PolarHBondContact O-N 3.39Å; E10-R13 VanDerWaalsContact O-N 3.16Å; E10-A14 WeakPolarHBondContact O-CB 3.35Å; E10-A14 PolarHBondContact O-N 3.43Å
11	A	72.2	Confident	70.4	Confident	61 Å²	61	122.8 Å²	122.8	50%	0.504	64%	0.64	S	S	.	*	H	α-helix	trans	-59	-43.3	174.5	0	0	0	0	0	111.7	A7 A8 A14 A15	A7-A11 PolarHBondContact O-N 3.01Å; A8-A11 PolarHBondContact O-N 3.34Å; A11-A14 PolarHBondContact O-N 3.1Å; A11-A15 WeakPolarHBondContact O-CB 3.46Å; A11-A15 PolarHBondContact O-N 3.06Å
12	Q	76.6	Confident	72.6	Confident	133 Å²	133	115.3 Å²	115.3	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-62.6	-42.7	173.1	-73.3	179.7	-26.4	0	0	112.6	A8 E10 A15 L16	A8-Q12 PolarHBondContact O-N 3.41Å; A8-Q12 VanDerWaalsContact O-N 3.1Å; E10-Q12 VanDerWaalsContact C-N 3.33Å; E10-Q12 PolarHBondContact O-N 2.81Å; Q12-A15 PolarHBondContact O-N 3.16Å; Q12-L16 WeakPolarHBondContact O-CG 3.39Å; Q12-L16 PolarHBondContact O-N 3.01Å
13	R	76.9	Confident	74.4	Confident	184 Å²	184	116.3 Å²	116.3	69%	0.694	59%	0.588	S	S	*	*	H	α-helix	trans	-64.9	-39.8	177	-167.2	178.1	-174	-176.4	2.4	112.2	R9 E10 L17	R9-R13 PolarHBondContact O-N 3.12Å; R9-R13 VanDerWaalsContact O-N 3.12Å; E10-R13 PolarHBondContact O-N 3.39Å; E10-R13 VanDerWaalsContact O-N 3.16Å; R13-L17 HydrophobicContact CG-CD1 4.43Å; R13-L17 WeakPolarHBondContact O-CG 3.38Å; R13-L17 PolarHBondContact O-N 2.93Å
14	A	79.5	Confident	76.1	Confident	48 Å²	48	113.9 Å²	113.9	40%	0.397	57%	0.567	S	S	.	*	H	α-helix	trans	-66	-42.1	175.6	0	0	0	0	0	111.9	E10 A11 L17 M18	E10-A14 WeakPolarHBondContact O-CB 3.35Å; E10-A14 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.1Å; A14-L17 PolarHBondContact O-N 3.4Å; A14-M18 WeakPolarHBondContact O-CG 3.26Å; A14-M18 PolarHBondContact O-N 3.28Å
15	A	83.9	Confident	77.9	Confident	56 Å²	56	111.3 Å²	111.3	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-62.8	-42.8	175.7	0	0	0	0	0	112.4	A11 Q12 M18 K19	A11-A15 WeakPolarHBondContact O-CB 3.46Å; A11-A15 PolarHBondContact O-N 3.06Å; Q12-A15 PolarHBondContact O-N 3.16Å; A15-M18 PolarHBondContact O-N 3.31Å; A15-K19 WeakPolarHBondContact O-CB 3.43Å; A15-K19 PolarHBondContact O-N 3.47Å
16	L	84.6	Confident	79.7	Confident	122 Å²	122	105.9 Å²	105.9	64%	0.639	53%	0.53	S	S	*	.	H	α-helix	trans	-60.7	-46.1	173.8	-76.5	167.9	0	0	0	111.9	Q12 M18 K19 Q20	Q12-L16 WeakPolarHBondContact O-CG 3.39Å; Q12-L16 PolarHBondContact O-N 3.01Å; L16-M18 PolarHBondContact O-N 3.11Å; L16-K19 PolarHBondContact O-N 3.38Å; L16-Q20 WeakPolarHBondContact O-CB 3.34Å; L16-Q20 PolarHBondContact O-N 3.31Å
17	L	87.2	Confident	81.3	Confident	80 Å²	80	109.7 Å²	109.7	42%	0.419	54%	0.539	S	S	.	.	H	α-helix	trans	-64.8	-36.2	177.8	-72.7	170.2	0	0	0	112.9	R13 A14 R21	R13-L17 HydrophobicContact CG-CD1 4.43Å; R13-L17 WeakPolarHBondContact O-CG 3.38Å; R13-L17 PolarHBondContact O-N 2.93Å; A14-L17 PolarHBondContact O-N 3.4Å; L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3Å; L17-R21 VanDerWaalsContact O-N 3.11Å
18	M	83.4	Confident	82.6	Confident	119 Å²	119	112 Å²	112	59%	0.586	54%	0.542	S	S	*	.	H	α-helix	trans	-69.4	-42.4	173.8	-71.1	-160.7	-68.8	0	0	112	A14 A15 L16 Q20 R21 E22	A14-M18 WeakPolarHBondContact O-CG 3.26Å; A14-M18 PolarHBondContact O-N 3.28Å; A15-M18 PolarHBondContact O-N 3.31Å; L16-M18 PolarHBondContact O-N 3.11Å; M18-Q20 VanDerWaalsContact C-N 3.26Å; M18-Q20 PolarHBondContact O-N 3.38Å; M18-R21 PolarHBondContact O-N 3.16Å; M18-E22 PolarHBondContact O-N 2.99Å
19	K	90.5	Very high	83.8	Confident	144 Å²	144	113.3 Å²	113.3	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-62.5	-33.1	175.6	-171.3	169.8	-174.2	170.6	0	112.5	A15 L16 K23	A15-K19 WeakPolarHBondContact O-CB 3.43Å; A15-K19 PolarHBondContact O-N 3.47Å; L16-K19 PolarHBondContact O-N 3.38Å; K19-K23 PolarHBondContact O-N 2.93Å
20	Q	89.2	Confident	84.9	Confident	109 Å²	109	108.4 Å²	108.4	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-69.9	-49.1	174.6	-178.5	168.2	-11.2	0	0	111.9	L16 M18 E22 K23 E24	L16-Q20 WeakPolarHBondContact O-CB 3.34Å; L16-Q20 PolarHBondContact O-N 3.31Å; M18-Q20 VanDerWaalsContact C-N 3.26Å; M18-Q20 PolarHBondContact O-N 3.38Å; Q20-E22 PolarHBondContact O-N 2.9Å; Q20-K23 WeakPolarHBondContact O-CB 3.34Å; Q20-K23 PolarHBondContact O-N 3.01Å; Q20-K23 VanDerWaalsContact O-N 3.16Å; Q20-E24 VanDerWaalsContact CG-OE1 3.26Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.44Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.97Å
21	R	91.6	Very high	85.8	Confident	155 Å²	155	109 Å²	109	59%	0.585	53%	0.527	S	S	*	.	H	α-helix	trans	-58.2	-35	174.7	-68.6	173	-161.2	159.6	3.9	113.1	L17 M18 E24 R25	L17-R21 WeakPolarHBondContact O-CG 3.47Å; L17-R21 PolarHBondContact O-N 3Å; L17-R21 VanDerWaalsContact O-N 3.11Å; M18-R21 PolarHBondContact O-N 3.16Å; R21-E24 PolarHBondContact O-N 3.26Å; R21-R25 WeakPolarHBondContact O-CB 3.16Å; R21-R25 PolarHBondContact O-N 2.93Å
22	E	88.7	Confident	86.5	Confident	87 Å²	87	112.9 Å²	112.9	41%	0.407	53%	0.533	S	S	.	.	H	α-helix	trans	-69.7	-38.7	178.2	-178.3	143.1	-113.5	0	0	112.4	M18 Q20 R25 Q26	M18-E22 PolarHBondContact O-N 2.99Å; Q20-E22 PolarHBondContact O-N 2.9Å; E22-R25 PolarHBondContact O-N 3.35Å; E22-R25 IonicContact OE1-CZ 3.38Å; E22-R25 IonicContact OE1-NH1 3Å; E22-R25 PolarHBondContact OE1-NH1 2.94Å; E22-R25 IonicContact OE1-NH2 2.83Å; E22-R25 PolarHBondContact OE1-NH2 2.85Å; E22-Q26 WeakPolarHBondContact O-CG 3.47Å; E22-Q26 PolarHBondContact O-N 3.43Å
23	K	90.1	Very high	86.7	Confident	123 Å²	123	115.6 Å²	115.6	54%	0.535	54%	0.537	S	S	.	.	H	α-helix	trans	-61.1	-48.1	168.9	-75.9	-171.8	167.9	-159.4	0	111.7	K19 Q20 R25 Q26 E27	K19-K23 PolarHBondContact O-N 2.93Å; Q20-K23 WeakPolarHBondContact O-CB 3.34Å; Q20-K23 PolarHBondContact O-N 3.01Å; Q20-K23 VanDerWaalsContact O-N 3.16Å; K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 3.32Å; K23-Q26 PolarHBondContact O-N 3.32Å; K23-Q26 VanDerWaalsContact O-N 3.08Å; K23-E27 WeakPolarHBondContact O-CB 3.47Å; K23-E27 WeakPolarHBondContact O-CG 3.41Å; K23-E27 PolarHBondContact O-N 2.81Å
24	E	88.1	Confident	87	Confident	89 Å²	89	113.2 Å²	113.2	42%	0.416	53%	0.532	S	S	.	.	H	α-helix	trans	-59.1	-37.2	178.4	-69.5	162.8	-177.3	0	0	111.4	Q20 R21 L28	Q20-E24 VanDerWaalsContact CG-OE1 3.26Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.44Å; Q20-E24 WeakPolarHBondContact O-CG 3.39Å; Q20-E24 PolarHBondContact O-N 2.97Å; R21-E24 PolarHBondContact O-N 3.26Å; E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.25Å
25	R	89.5	Confident	86.7	Confident	117 Å²	117	115.7 Å²	115.7	44%	0.442	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-47.6	171.5	-167.6	-173.9	77.8	-124	-5.6	112.1	R21 E22 K23 L28 E29	R21-R25 WeakPolarHBondContact O-CB 3.16Å; R21-R25 PolarHBondContact O-N 2.93Å; E22-R25 PolarHBondContact O-N 3.35Å; E22-R25 IonicContact OE1-CZ 3.38Å; E22-R25 IonicContact OE1-NH1 3Å; E22-R25 PolarHBondContact OE1-NH1 2.94Å; E22-R25 IonicContact OE1-NH2 2.83Å; E22-R25 PolarHBondContact OE1-NH2 2.85Å; K23-R25 VanDerWaalsContact C-N 3.25Å; K23-R25 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 2.85Å; R25-E29 IonicContact NE-OE1 3.9Å; R25-E29 IonicContact NE-OE2 3.99Å; R25-E29 WeakPolarHBondContact O-CB 3.44Å; R25-E29 WeakPolarHBondContact O-CG 3.32Å; R25-E29 PolarHBondContact O-N 3.38Å
26	Q	90.1	Very high	86.4	Confident	97 Å²	97	117.3 Å²	117.3	45%	0.453	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-39.7	179.4	-72.5	172.6	5	0	0	112	E22 K23 E29 L30	E22-Q26 WeakPolarHBondContact O-CG 3.47Å; E22-Q26 PolarHBondContact O-N 3.43Å; K23-Q26 PolarHBondContact O-N 3.32Å; K23-Q26 VanDerWaalsContact O-N 3.08Å; Q26-E29 PolarHBondContact O-N 3.32Å; Q26-L30 WeakPolarHBondContact O-CB 3.26Å; Q26-L30 VanDerWaalsContact O-CG 3.29Å; Q26-L30 WeakPolarHBondContact O-CG 3.11Å; Q26-L30 PolarHBondContact O-N 2.81Å
27	E	89.9	Confident	85.9	Confident	110 Å²	110	114.7 Å²	114.7	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-66.4	-40.6	175.5	-72.5	175.5	-157.4	0	0	111.4	K23 L30 Q31	K23-E27 WeakPolarHBondContact O-CB 3.47Å; K23-E27 WeakPolarHBondContact O-CG 3.41Å; K23-E27 PolarHBondContact O-N 2.81Å; E27-L30 PolarHBondContact O-N 3.08Å; E27-Q31 WeakPolarHBondContact O-CB 3.41Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 2.96Å
28	L	89.7	Confident	84.9	Confident	115 Å²	115	116.2 Å²	116.2	60%	0.602	54%	0.537	S	S	*	.	H	α-helix	trans	-65.7	-38.2	171.6	-78.1	170.5	0	0	0	112.9	E24 R25 K32	E24-L28 WeakPolarHBondContact O-CB 3.27Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.25Å; R25-L28 PolarHBondContact O-N 2.85Å; L28-K32 WeakPolarHBondContact O-CB 3.23Å; L28-K32 PolarHBondContact O-N 2.87Å
29	E	88.3	Confident	83.9	Confident	108 Å²	108	117.4 Å²	117.4	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-38.9	175.2	-76.8	172.6	163.8	0	0	111.6	R25 Q26 R33	R25-E29 IonicContact NE-OE1 3.9Å; R25-E29 IonicContact NE-OE2 3.99Å; R25-E29 WeakPolarHBondContact O-CB 3.44Å; R25-E29 WeakPolarHBondContact O-CG 3.32Å; R25-E29 PolarHBondContact O-N 3.38Å; Q26-E29 PolarHBondContact O-N 3.32Å; E29-R33 VanDerWaalsContact O-CB 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.86Å
30	L	88	Confident	82.4	Confident	116 Å²	116	118.5 Å²	118.5	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-68.1	-43.6	173.5	-73.6	170.6	0	0	0	112.3	Q26 E27 R33 K34	Q26-L30 WeakPolarHBondContact O-CB 3.26Å; Q26-L30 VanDerWaalsContact O-CG 3.29Å; Q26-L30 WeakPolarHBondContact O-CG 3.11Å; Q26-L30 PolarHBondContact O-N 2.81Å; E27-L30 PolarHBondContact O-N 3.08Å; L30-R33 PolarHBondContact O-N 3.36Å; L30-K34 WeakPolarHBondContact O-CB 3.48Å; L30-K34 PolarHBondContact O-N 2.86Å
31	Q	83.2	Confident	80.6	Confident	115 Å²	115	116.9 Å²	116.9	54%	0.537	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-44.1	174.1	-74.6	178.6	23	0	0	111.3	E27 K34 L35	E27-Q31 WeakPolarHBondContact O-CB 3.41Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.38Å; E27-Q31 PolarHBondContact O-N 2.96Å; Q31-K34 PolarHBondContact O-N 3.35Å; Q31-L35 WeakPolarHBondContact O-CB 3.29Å; Q31-L35 WeakPolarHBondContact O-CG 3.4Å; Q31-L35 PolarHBondContact O-N 2.84Å
32	K	87.4	Confident	78.8	Confident	144 Å²	144	111.7 Å²	111.7	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-43.6	174.8	-176.8	-177	174.9	-172.3	0	111.5	L28 L35 E36	L28-K32 WeakPolarHBondContact O-CB 3.23Å; L28-K32 PolarHBondContact O-N 2.87Å; K32-L35 PolarHBondContact O-N 2.83Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 3.38Å
33	R	81.7	Confident	77	Confident	190 Å²	190	114.7 Å²	114.7	72%	0.717	55%	0.549	S	S	*	.	H	α-helix	trans	-67.2	-35.6	177.5	-174.3	175.5	179.4	176.3	0.1	112.4	E29 L30 E36 A37	E29-R33 VanDerWaalsContact O-CB 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.48Å; E29-R33 PolarHBondContact O-N 2.86Å; L30-R33 PolarHBondContact O-N 3.36Å; R33-E36 PolarHBondContact O-N 2.91Å; R33-A37 WeakPolarHBondContact O-CB 3.38Å; R33-A37 PolarHBondContact O-N 2.99Å
34	K	82.4	Confident	75.5	Confident	133 Å²	133	114.6 Å²	114.6	58%	0.578	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-48.5	172	179.8	176.9	169.8	-179.1	0	110.9	L30 Q31 E36 A37 E38	L30-K34 WeakPolarHBondContact O-CB 3.48Å; L30-K34 PolarHBondContact O-N 2.86Å; Q31-K34 PolarHBondContact O-N 3.35Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 PolarHBondContact O-N 3.48Å; K34-A37 WeakPolarHBondContact O-CB 3.46Å; K34-A37 PolarHBondContact O-N 3.39Å; K34-A37 VanDerWaalsContact O-N 3.09Å; K34-E38 WeakPolarHBondContact CE-OE1 3.45Å; K34-E38 IonicContact NZ-OE1 3.28Å; K34-E38 WeakPolarHBondContact O-CG 3.34Å; K34-E38 PolarHBondContact O-N 3.47Å
35	L	73.4	Confident	74.1	Confident	101 Å²	101	115 Å²	115	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-59.8	-38.3	173.7	-79.5	165.7	0	0	0	112	Q31 K32 A37 E38 M39	Q31-L35 WeakPolarHBondContact O-CB 3.29Å; Q31-L35 WeakPolarHBondContact O-CG 3.4Å; Q31-L35 PolarHBondContact O-N 2.84Å; K32-L35 PolarHBondContact O-N 2.83Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 2.76Å; L35-E38 PolarHBondContact O-N 2.78Å; L35-M39 WeakPolarHBondContact O-CA 3.49Å; L35-M39 WeakPolarHBondContact O-CB 3.29Å; L35-M39 VanDerWaalsContact O-CG 3.26Å; L35-M39 WeakPolarHBondContact O-CG 3.36Å; L35-M39 PolarHBondContact O-N 2.81Å
36	E	77.1	Confident	72.8	Confident	89 Å²	89	113.3 Å²	113.3	42%	0.416	57%	0.567	S	S	.	*	H	α-helix	trans	-69.1	-28.8	175.6	-163.9	-173.2	141.5	0	0	112.3	K32 R33 K34 R40	K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 PolarHBondContact O-N 3.38Å; R33-E36 PolarHBondContact O-N 2.91Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 PolarHBondContact O-N 3.48Å; E36-R40 VanDerWaalsContact O-CB 3.29Å; E36-R40 WeakPolarHBondContact O-CB 2.81Å; E36-R40 WeakPolarHBondContact O-CG 3.48Å; E36-R40 PolarHBondContact O-N 2.79Å; E36-R40 IonicContact OE1-CZ 3.39Å; E36-R40 IonicContact OE1-NH1 2.67Å; E36-R40 PolarHBondContact OE1-NH1 2.93Å; E36-R40 IonicContact OE1-NH2 3.96Å; E36-R40 PolarHBondContact OE1-NH2 3.09Å
37	A	74.3	Confident	71.2	Confident	68 Å²	68	113.4 Å²	113.4	56%	0.562	57%	0.566	S	S	*	*	H	α-helix	trans	-75.1	-39.1	172.3	0	0	0	0	0	112.3	R33 K34 L35	R33-A37 WeakPolarHBondContact O-CB 3.38Å; R33-A37 PolarHBondContact O-N 2.99Å; K34-A37 WeakPolarHBondContact O-CB 3.46Å; K34-A37 PolarHBondContact O-N 3.39Å; K34-A37 VanDerWaalsContact O-N 3.09Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 2.76Å
38	E	67	Low	69.5	Low	111 Å²	111	114.7 Å²	114.7	52%	0.519	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-39.6	175.8	-70.4	170.2	174.1	0	0	111.7	K34 L35	K34-E38 WeakPolarHBondContact CE-OE1 3.45Å; K34-E38 IonicContact NZ-OE1 3.28Å; K34-E38 WeakPolarHBondContact O-CG 3.34Å; K34-E38 PolarHBondContact O-N 3.47Å; L35-E38 PolarHBondContact O-N 2.78Å
39	M	61.3	Low	68	Low	144 Å²	144	112.4 Å²	112.4	71%	0.709	57%	0.568	S	S	*	*	H	α-helix	trans	-80.2	-11.8	175	-70.2	-60.6	-53.7	0	0	114.1	L35 V41	L35-M39 WeakPolarHBondContact O-CA 3.49Å; L35-M39 WeakPolarHBondContact O-CB 3.29Å; L35-M39 VanDerWaalsContact O-CG 3.26Å; L35-M39 WeakPolarHBondContact O-CG 3.36Å; L35-M39 PolarHBondContact O-N 2.81Å; M39-V41 PolarHBondContact O-N 2.67Å
40	R	59.2	Low	66.6	Low	167 Å²	167	112.5 Å²	112.5	63%	0.63	58%	0.575	S	S	*	*			trans	-70.1	74.9	160	-93.4	-164.7	178.1	81.9	5.3	108.9	E36 G42	E36-R40 VanDerWaalsContact O-CB 3.29Å; E36-R40 WeakPolarHBondContact O-CB 2.81Å; E36-R40 WeakPolarHBondContact O-CG 3.48Å; E36-R40 PolarHBondContact O-N 2.79Å; E36-R40 IonicContact OE1-CZ 3.39Å; E36-R40 IonicContact OE1-NH1 2.67Å; E36-R40 PolarHBondContact OE1-NH1 2.93Å; E36-R40 IonicContact OE1-NH2 3.96Å; E36-R40 PolarHBondContact OE1-NH2 3.09Å; R40-G42 PolarHBondContact O-N 2.92Å
41	V	51.4	Low	65.1	Low	76 Å²	76	110.9 Å²	110.9	46%	0.461	56%	0.564	S	S	.	*			trans	-67.4	83.2	164.8	-176.2	0	0	0	0	107.7	M39 E43 M44	M39-V41 PolarHBondContact O-N 2.67Å; V41-E43 PolarHBondContact O-N 3.28Å; V41-M44 HydrophobicContact CG1-SD 4.04Å
42	G	53.1	Low	64.1	Low	45 Å²	45	113.1 Å²	113.1	46%	0.464	57%	0.569	S	S	.	*			trans	-48.8	138.8	159	0	0	0	0	0	109	R40 M44 K47	R40-G42 PolarHBondContact O-N 2.92Å; G42-M44 PolarHBondContact O-N 3.49Å; G42-K47 VanDerWaalsContact O-CE 3.28Å; G42-K47 WeakPolarHBondContact O-CE 3.46Å
43	E	51.4	Low	63	Low	151 Å²	151	111.3 Å²	111.3	71%	0.706	57%	0.567	S	S	*	*			trans	-37.3	120.4	-157.8	-61.2	178.8	146.6	0	0	113.5	V41 S45 T46	V41-E43 PolarHBondContact O-N 3.28Å; E43-S45 PolarHBondContact O-N 3.36Å; E43-T46 PolarHBondContact O-N 3.48Å; E43-T46 PolarHBondContact O-OG1 3.29Å
44	M	58.1	Low	62.4	Low	121 Å²	121	104.2 Å²	104.2	60%	0.596	55%	0.549	S	S	*	.	H	α-helix	trans	-49.7	-31.3	-172.8	-162.1	72.3	159.7	0	0	113.2	V41 G42 T46 K47 F48	V41-M44 HydrophobicContact CG1-SD 4.04Å; G42-M44 PolarHBondContact O-N 3.49Å; M44-T46 PolarHBondContact O-N 3.45Å; M44-K47 PolarHBondContact O-N 3.42Å; M44-F48 HydrophobicContact CE-CE2 4Å; M44-F48 HydrophobicContact CE-CZ 4.42Å; M44-F48 HydrophobicContact CG-CE2 4.25Å; M44-F48 WeakPolarHBondContact O-CD2 3.28Å; M44-F48 HydrophobicContact SD-CE2 4.04Å
45	S	60.6	Low	61.7	Low	96 Å²	96	99.2 Å²	99.2	67%	0.671	53%	0.528	S	S	*	.	H	α-helix	trans	-45.4	-51.5	168.7	178.2	0	0	0	0	114	E43 K47	E43-S45 PolarHBondContact O-N 3.36Å; S45-K47 PolarHBondContact O-N 2.83Å
46	T	61.8	Low	61.7	Low	82 Å²	82	97.8 Å²	97.8	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-77.8	-22.3	-171	58.6	0	0	0	0	113.9	E43 M44 F48	E43-T46 PolarHBondContact O-N 3.48Å; E43-T46 PolarHBondContact O-OG1 3.29Å; M44-T46 PolarHBondContact O-N 3.45Å; T46-F48 VanDerWaalsContact C-N 3.31Å; T46-F48 PolarHBondContact O-N 2.9Å
47	K	56.7	Low	61.8	Low	99 Å²	99	100.4 Å²	100.4	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-69.1	-25.3	-174.5	-67.8	-166.3	173.5	-166.7	0	114	G42 M44 S45	G42-K47 VanDerWaalsContact O-CE 3.28Å; G42-K47 WeakPolarHBondContact O-CE 3.46Å; M44-K47 PolarHBondContact O-N 3.42Å; S45-K47 PolarHBondContact O-N 2.83Å
48	F	53.2	Low	61.7	Low	138 Å²	138	100.9 Å²	100.9	61%	0.605	52%	0.516	S	S	*	.	H	α-helix	trans	-108.3	-36.4	-173.7	-62.2	-77.4	0	0	0	114	M44 T46	M44-F48 HydrophobicContact CE-CE2 4Å; M44-F48 HydrophobicContact CE-CZ 4.42Å; M44-F48 HydrophobicContact CG-CE2 4.25Å; M44-F48 WeakPolarHBondContact O-CD2 3.28Å; M44-F48 HydrophobicContact SD-CE2 4.04Å; T46-F48 VanDerWaalsContact C-N 3.31Å; T46-F48 PolarHBondContact O-N 2.9Å
49	A	58.3	Low	62.3	Low	67 Å²	67	96.5 Å²	96.5	55%	0.554	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-53.3	-172.1	0	0	0	0	0	113.9
50	V	59.3	Low	63.1	Low	109 Å²	109	95.1 Å²	95.1	66%	0.661	49%	0.486	S	S	*	.	H	α-helix	trans	-85.9	-22.1	-168.5	-169.9	0	0	0	0	112.8
51	H	56.8	Low	64.2	Low	82 Å²	82	90.8 Å²	90.8	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-76.7	-37.4	-177.2	-165.8	-83.7	0	0	0	112.6	I55 R83	H51-I55 WeakPolarHBondContact O-CD1 3.46Å; H51-I55 WeakPolarHBondContact O-CG1 3.38Å; H51-R83 PolarHBondContact CD2-NH1 2.9Å; H51-R83 PolarHBondContact CE1-NH1 3.16Å; H51-R83 PolarHBondContact NE2-NE 3.17Å; H51-R83 PolarHBondContact NE2-NH1 3.07Å; H51-R83 PolarHBondContact O-NH1 3.35Å
52	Y	60.8	Low	65.4	Low	162 Å²	162	91.9 Å²	91.9	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-76.2	-50.7	-171.6	-162.2	-94.8	0	0	0	112.4	A54 I55 E56	Y52-A54 VanDerWaalsContact C-N 3.33Å; Y52-A54 PolarHBondContact O-N 2.69Å; Y52-I55 WeakPolarHBondContact O-CB 3.36Å; Y52-I55 PolarHBondContact O-N 3.09Å; Y52-E56 WeakPolarHBondContact CE1-OE2 3.38Å; Y52-E56 PolarHBondContact O-N 2.95Å
53	D	65.2	Low	66.4	Low	107 Å²	107	91.3 Å²	91.3	57%	0.572	47%	0.466	S	S	*	.	H	α-helix	trans	-61.2	-39.2	-172	-155.1	16.8	0	0	0	112.6	I55 E56 Y57	D53-I55 VanDerWaalsContact C-N 3.35Å; D53-I55 PolarHBondContact O-N 2.83Å; D53-E56 PolarHBondContact O-N 3.21Å; D53-Y57 WeakPolarHBondContact O-CB 3.21Å; D53-Y57 PolarHBondContact O-N 2.98Å
54	A	70.1	Confident	67.5	Low	41 Å²	41	91.2 Å²	91.2	34%	0.339	47%	0.469	S	S	.	.	H	α-helix	trans	-63.6	-35.3	175.1	0	0	0	0	0	113.6	Y52 Q58	Y52-A54 VanDerWaalsContact C-N 3.33Å; Y52-A54 PolarHBondContact O-N 2.69Å; A54-Q58 WeakPolarHBondContact O-CB 3.08Å; A54-Q58 WeakPolarHBondContact O-CG 3.33Å; A54-Q58 PolarHBondContact O-N 3.46Å
55	I	68	Low	68.7	Low	28 Å²	28	88.3 Å²	88.3	14%	0.144	47%	0.471	C	S	.	.	H	α-helix	trans	-70.2	-48.6	174.1	-62.9	165.6	0	0	0	108.9	H51 Y52 D53 Y57 Q58 L59 Y79 L80	H51-I55 WeakPolarHBondContact O-CD1 3.46Å; H51-I55 WeakPolarHBondContact O-CG1 3.38Å; Y52-I55 WeakPolarHBondContact O-CB 3.36Å; Y52-I55 PolarHBondContact O-N 3.09Å; D53-I55 VanDerWaalsContact C-N 3.35Å; D53-I55 PolarHBondContact O-N 2.83Å; I55-Y57 PolarHBondContact O-N 2.75Å; I55-Q58 PolarHBondContact O-N 2.76Å; I55-L59 WeakPolarHBondContact O-CB 3.44Å; I55-L59 PolarHBondContact O-N 3.5Å; I55-Y79 HydrophobicContact CB-CD1 4.35Å; I55-Y79 HydrophobicContact CB-CE1 4.21Å; I55-Y79 HydrophobicContact CG1-CD1 3.87Å; I55-Y79 HydrophobicContact CG1-CE1 3.63Å; I55-Y79 HydrophobicContact CG2-CD1 4.15Å; I55-L80 HydrophobicContact CD1-CD2 3.99Å
56	E	72.1	Confident	69.6	Low	71 Å²	71	92.7 Å²	92.7	33%	0.332	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-40.5	-173.4	-158.7	-173.9	145.8	0	0	112.2	Y52 D53 L59 K60	Y52-E56 WeakPolarHBondContact CE1-OE2 3.38Å; Y52-E56 PolarHBondContact O-N 2.95Å; D53-E56 PolarHBondContact O-N 3.21Å; E56-L59 PolarHBondContact O-N 2.62Å; E56-K60 VanDerWaalsContact CD-NZ 3.35Å; E56-K60 HydrophobicContact CG-CD 4.37Å; E56-K60 WeakPolarHBondContact O-CB 3.29Å; E56-K60 VanDerWaalsContact O-CG 3.27Å; E56-K60 WeakPolarHBondContact O-CG 3.47Å; E56-K60 PolarHBondContact O-N 3.41Å; E56-K60 WeakPolarHBondContact OE1-CE 3.49Å; E56-K60 IonicContact OE1-NZ 3.72Å; E56-K60 PolarHBondContact OE1-NZ 3.3Å
57	Y	79.7	Confident	70.6	Confident	144 Å²	144	90.9 Å²	90.9	57%	0.565	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-46.1	174.2	-176.4	-103.5	0	0	0	112.2	D53 I55 L59 K60 N61	D53-Y57 WeakPolarHBondContact O-CB 3.21Å; D53-Y57 PolarHBondContact O-N 2.98Å; I55-Y57 PolarHBondContact O-N 2.75Å; Y57-L59 VanDerWaalsContact C-N 3.34Å; Y57-L59 PolarHBondContact O-N 3.27Å; Y57-K60 PolarHBondContact O-N 3.01Å; Y57-N61 WeakPolarHBondContact CE1-ND2 3Å; Y57-N61 VanDerWaalsContact CZ-ND2 3.27Å; Y57-N61 PolarHBondContact O-N 3.42Å; Y57-N61 VanDerWaalsContact O-N 3.11Å
58	Q	72.9	Confident	71.9	Confident	77 Å²	77	90.2 Å²	90.2	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-33.9	176.1	-73.8	-68.2	-21	0	0	112.3	A54 I55 N62 Y79	A54-Q58 WeakPolarHBondContact O-CB 3.08Å; A54-Q58 WeakPolarHBondContact O-CG 3.33Å; A54-Q58 PolarHBondContact O-N 3.46Å; I55-Q58 PolarHBondContact O-N 2.76Å; Q58-N62 WeakPolarHBondContact O-CB 3.32Å; Q58-N62 PolarHBondContact O-N 2.81Å; Q58-N62 PolarHBondContact O-ND2 2.71Å; Q58-Y79 HydrophobicContact CB-CD2 4.2Å; Q58-Y79 HydrophobicContact CB-CE2 3.6Å; Q58-Y79 HydrophobicContact CG-CE2 3.76Å
59	L	77.7	Confident	73.4	Confident	19 Å²	19	89.2 Å²	89.2	10%	0.099	48%	0.479	C	S	.	.	H	α-helix	trans	-63.8	-55.2	173.3	-131.4	74.3	0	0	0	110.5	I55 E56 Y57 N61 N62 T63 M72 Q76	I55-L59 WeakPolarHBondContact O-CB 3.44Å; I55-L59 PolarHBondContact O-N 3.5Å; E56-L59 PolarHBondContact O-N 2.62Å; Y57-L59 VanDerWaalsContact C-N 3.34Å; Y57-L59 PolarHBondContact O-N 3.27Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3Å; L59-N62 PolarHBondContact O-N 2.89Å; L59-T63 HydrophobicContact CG-CG2 4.49Å; L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 2.86Å; L59-T63 PolarHBondContact O-OG1 2.93Å; L59-M72 HydrophobicContact CD2-CE 4.07Å; L59-Q76 HydrophobicContact CD1-CG 3.85Å; L59-Q76 HydrophobicContact CD2-CG 3.56Å; L59-Q76 HydrophobicContact CG-CG 4.34Å
60	K	78.7	Confident	74.7	Confident	115 Å²	115	91.3 Å²	91.3	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-51.2	-48	-179.7	-76.5	166	179.1	163.2	0	112.6	E56 Y57 N62 T63	E56-K60 VanDerWaalsContact CD-NZ 3.35Å; E56-K60 HydrophobicContact CG-CD 4.37Å; E56-K60 WeakPolarHBondContact O-CB 3.29Å; E56-K60 VanDerWaalsContact O-CG 3.27Å; E56-K60 WeakPolarHBondContact O-CG 3.47Å; E56-K60 PolarHBondContact O-N 3.41Å; E56-K60 WeakPolarHBondContact OE1-CE 3.49Å; E56-K60 IonicContact OE1-NZ 3.72Å; E56-K60 PolarHBondContact OE1-NZ 3.3Å; Y57-K60 PolarHBondContact O-N 3.01Å; K60-N62 VanDerWaalsContact C-N 3.32Å; K60-N62 PolarHBondContact O-N 3.45Å; K60-T63 PolarHBondContact O-N 2.91Å
61	N	82.6	Confident	75.9	Confident	77 Å²	77	89.5 Å²	89.5	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-30.9	-178.2	-69.4	-8.9	0	0	0	113	Y57 L59	Y57-N61 WeakPolarHBondContact CE1-ND2 3Å; Y57-N61 VanDerWaalsContact CZ-ND2 3.27Å; Y57-N61 PolarHBondContact O-N 3.42Å; Y57-N61 VanDerWaalsContact O-N 3.11Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3Å
62	N	76.4	Confident	77.2	Confident	98 Å²	98	89.5 Å²	89.5	52%	0.524	47%	0.466	S	S	.	.	H	α-helix	trans	-86	-31.4	178.1	-75.2	-66.6	0	0	0	112.7	Q58 L59 K60 I64 R75	Q58-N62 WeakPolarHBondContact O-CB 3.32Å; Q58-N62 PolarHBondContact O-N 2.81Å; Q58-N62 PolarHBondContact O-ND2 2.71Å; L59-N62 PolarHBondContact O-N 2.89Å; K60-N62 VanDerWaalsContact C-N 3.32Å; K60-N62 PolarHBondContact O-N 3.45Å; N62-I64 VanDerWaalsContact C-N 3.33Å; N62-I64 PolarHBondContact O-N 3.17Å; N62-R75 PolarHBondContact O-NH1 3.37Å
63	T	74.4	Confident	78.4	Confident	33 Å²	33	87.2 Å²	87.2	20%	0.202	46%	0.46	C	S	.	.			trans	-92	49.5	-176.5	61.7	0	0	0	0	113.2	L59 K60 G65 V67	L59-T63 HydrophobicContact CG-CG2 4.49Å; L59-T63 WeakPolarHBondContact O-CG2 3.48Å; L59-T63 PolarHBondContact O-N 2.86Å; L59-T63 PolarHBondContact O-OG1 2.93Å; K60-T63 PolarHBondContact O-N 2.91Å; T63-G65 PolarHBondContact O-N 2.73Å; T63-V67 HydrophobicContact CG2-CG1 4.5Å; T63-V67 HydrophobicContact CG2-CG2 4.44Å
64	I	75.2	Confident	79.4	Confident	149 Å²	149	85 Å²	85	76%	0.764	46%	0.456	S	S	*	.			trans	-83.2	113.1	173.2	-58.9	174.3	0	0	0	108.8	N62	N62-I64 VanDerWaalsContact C-N 3.33Å; N62-I64 PolarHBondContact O-N 3.17Å
65	G	81.7	Confident	80	Confident	61 Å²	61	86.8 Å²	86.8	63%	0.629	45%	0.454	S	S	*	.	S	Bend	trans	123.2	-170.8	177.8	0	0	0	0	0	113.6	T63 V67	T63-G65 PolarHBondContact O-N 2.73Å; G65-V67 PolarHBondContact O-N 2.97Å; G65-V67 VanDerWaalsContact O-N 3.09Å
66	L	81	Confident	80.7	Confident	188 Å²	188	89 Å²	89	98%	0.984	46%	0.463	S	S	*	.			trans	-82.4	85.2	-179.5	-151	78.2	0	0	0	110.3
67	V	81.4	Confident	81.3	Confident	43 Å²	43	92.9 Å²	92.9	26%	0.261	48%	0.479	S	S	.	.			trans	-87.8	137.2	-177.4	172.7	0	0	0	0	110.7	T63 G65 E71 M72	T63-V67 HydrophobicContact CG2-CG1 4.5Å; T63-V67 HydrophobicContact CG2-CG2 4.44Å; G65-V67 PolarHBondContact O-N 2.97Å; G65-V67 VanDerWaalsContact O-N 3.09Å; V67-E71 HydrophobicContact CG1-CB 4.02Å; V67-E71 HydrophobicContact CG1-CG 4.02Å; V67-M72 HydrophobicContact CG1-CB 4.16Å
68	T	84.9	Confident	81.6	Confident	86 Å²	86	88.9 Å²	88.9	53%	0.528	48%	0.476	S	S	.	.			trans	-76.6	154.4	177.1	63.9	0	0	0	0	112	D70 E71 M72	T68-D70 VanDerWaalsContact C-N 3.29Å; T68-D70 PolarHBondContact O-N 3.16Å; T68-E71 PolarHBondContact N-OE2 3.36Å; T68-E71 WeakPolarHBondContact O-CB 3.5Å; T68-E71 PolarHBondContact O-N 3.4Å; T68-E71 VanDerWaalsContact O-N 3.16Å; T68-E71 WeakPolarHBondContact OG1-CB 3.48Å; T68-E71 PolarHBondContact OG1-N 3.29Å; T68-M72 PolarHBondContact O-N 3.4Å
69	L	84	Confident	82	Confident	116 Å²	116	88 Å²	88	61%	0.607	47%	0.47	S	S	*	.	H	α-helix	trans	-56.5	-43.1	-178	-165.9	164.3	0	0	0	111.9	M72 K73	L69-M72 PolarHBondContact O-N 3.29Å; L69-K73 HydrophobicContact CD2-CD 3.78Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 PolarHBondContact O-N 2.9Å
70	D	84.9	Confident	82	Confident	111 Å²	111	91.1 Å²	91.1	59%	0.594	49%	0.486	S	S	*	.	H	α-helix	trans	-74	-31.9	-179.8	-60.1	-41.3	0	0	0	112.6	T68 K73 A74	T68-D70 VanDerWaalsContact C-N 3.29Å; T68-D70 PolarHBondContact O-N 3.16Å; D70-K73 PolarHBondContact O-N 2.84Å; D70-K73 IonicContact OD1-NZ 3.74Å; D70-A74 VanDerWaalsContact O-CB 3.3Å; D70-A74 WeakPolarHBondContact O-CB 3.45Å; D70-A74 PolarHBondContact O-N 3.44Å
71	E	85.2	Confident	82.2	Confident	72 Å²	72	88.2 Å²	88.2	34%	0.336	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-39.8	170.5	-174.7	-171.2	174.4	0	0	111.6	V67 T68 A74 R75	V67-E71 HydrophobicContact CG1-CB 4.02Å; V67-E71 HydrophobicContact CG1-CG 4.02Å; T68-E71 PolarHBondContact N-OE2 3.36Å; T68-E71 WeakPolarHBondContact O-CB 3.5Å; T68-E71 PolarHBondContact O-N 3.4Å; T68-E71 VanDerWaalsContact O-N 3.16Å; T68-E71 WeakPolarHBondContact OG1-CB 3.48Å; T68-E71 PolarHBondContact OG1-N 3.29Å; E71-A74 PolarHBondContact O-N 2.89Å; E71-R75 WeakPolarHBondContact O-CB 3.3Å; E71-R75 WeakPolarHBondContact O-CD 3.44Å; E71-R75 VanDerWaalsContact O-CG 3.24Å; E71-R75 WeakPolarHBondContact O-CG 3.46Å; E71-R75 PolarHBondContact O-N 3.34Å; E71-R75 IonicContact OE1-CZ 2.61Å; E71-R75 VanDerWaalsContact OE1-CZ 3.28Å; E71-R75 IonicContact OE1-NE 3.62Å; E71-R75 PolarHBondContact OE1-NE 3.05Å; E71-R75 VanDerWaalsContact OE1-NE 3.09Å; E71-R75 IonicContact OE1-NH2 3.88Å; E71-R75 PolarHBondContact OE1-NH2 2.92Å
72	M	84.7	Confident	82.1	Confident	82 Å²	82	89.7 Å²	89.7	40%	0.404	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-46	174.2	-164.8	-176.5	-164.5	0	0	111.1	L59 V67 T68 L69 R75 Q76	L59-M72 HydrophobicContact CD2-CE 4.07Å; V67-M72 HydrophobicContact CG1-CB 4.16Å; T68-M72 PolarHBondContact O-N 3.4Å; L69-M72 PolarHBondContact O-N 3.29Å; M72-R75 PolarHBondContact O-N 2.98Å; M72-Q76 WeakPolarHBondContact O-CG 3.44Å; M72-Q76 PolarHBondContact O-N 2.99Å
73	K	85.3	Confident	82	Confident	114 Å²	114	87.4 Å²	87.4	50%	0.496	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-42.3	173.2	-75.1	172.4	176.6	161.7	0	112.5	L69 D70 Q76 K77	L69-K73 HydrophobicContact CD2-CD 3.78Å; L69-K73 HydrophobicContact CD2-CG 4.28Å; L69-K73 PolarHBondContact O-N 2.9Å; D70-K73 PolarHBondContact O-N 2.84Å; D70-K73 IonicContact OD1-NZ 3.74Å; K73-Q76 PolarHBondContact O-N 3.35Å; K73-K77 WeakPolarHBondContact O-CB 3.24Å; K73-K77 PolarHBondContact O-N 2.91Å
74	A	85.9	Confident	82.1	Confident	59 Å²	59	92.1 Å²	92.1	49%	0.488	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-43.8	178.8	0	0	0	0	0	111.4	D70 E71 K77 A78	D70-A74 VanDerWaalsContact O-CB 3.3Å; D70-A74 WeakPolarHBondContact O-CB 3.45Å; D70-A74 PolarHBondContact O-N 3.44Å; E71-A74 PolarHBondContact O-N 2.89Å; A74-K77 PolarHBondContact O-N 3.38Å; A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 3.24Å
75	R	82.4	Confident	82.4	Confident	79 Å²	79	91.4 Å²	91.4	30%	0.298	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-43.4	174.6	-69.8	162.9	175.4	-119.2	12.9	111.9	N62 E71 M72 A78 Y79	N62-R75 PolarHBondContact O-NH1 3.37Å; E71-R75 WeakPolarHBondContact O-CB 3.3Å; E71-R75 WeakPolarHBondContact O-CD 3.44Å; E71-R75 VanDerWaalsContact O-CG 3.24Å; E71-R75 WeakPolarHBondContact O-CG 3.46Å; E71-R75 PolarHBondContact O-N 3.34Å; E71-R75 IonicContact OE1-CZ 2.61Å; E71-R75 VanDerWaalsContact OE1-CZ 3.28Å; E71-R75 IonicContact OE1-NE 3.62Å; E71-R75 PolarHBondContact OE1-NE 3.05Å; E71-R75 VanDerWaalsContact OE1-NE 3.09Å; E71-R75 IonicContact OE1-NH2 3.88Å; E71-R75 PolarHBondContact OE1-NH2 2.92Å; M72-R75 PolarHBondContact O-N 2.98Å; R75-A78 PolarHBondContact O-N 3.33Å; R75-Y79 PolarHBondContact O-N 3.48Å
76	Q	82.9	Confident	82.1	Confident	75 Å²	75	93.5 Å²	93.5	35%	0.35	47%	0.471	S	S	.	.	H	α-helix	trans	-59.2	-49.5	173.5	-73.5	171.6	-9	0	0	112	L59 M72 K73 A78 Y79 L80	L59-Q76 HydrophobicContact CD1-CG 3.85Å; L59-Q76 HydrophobicContact CD2-CG 3.56Å; L59-Q76 HydrophobicContact CG-CG 4.34Å; M72-Q76 WeakPolarHBondContact O-CG 3.44Å; M72-Q76 PolarHBondContact O-N 2.99Å; K73-Q76 PolarHBondContact O-N 3.35Å; Q76-A78 PolarHBondContact O-N 3.02Å; Q76-Y79 PolarHBondContact O-N 3.44Å; Q76-L80 WeakPolarHBondContact O-CG 3.45Å; Q76-L80 PolarHBondContact O-N 3.42Å
77	K	85.9	Confident	81.6	Confident	153 Å²	153	89.4 Å²	89.4	67%	0.665	45%	0.449	S	S	*	.	H	α-helix	trans	-61.6	-43.6	178.9	-172.5	178.7	-180	-177.8	0	111.7	K73 A74 Y79 L80 T81	K73-K77 WeakPolarHBondContact O-CB 3.24Å; K73-K77 PolarHBondContact O-N 2.91Å; A74-K77 PolarHBondContact O-N 3.38Å; K77-Y79 PolarHBondContact O-N 2.95Å; K77-L80 PolarHBondContact O-N 2.89Å; K77-T81 PolarHBondContact O-N 3.5Å; K77-T81 PolarHBondContact O-OG1 2.89Å
78	A	85.6	Confident	81.2	Confident	60 Å²	60	90.9 Å²	90.9	50%	0.496	47%	0.466	S	S	.	.	H	α-helix	trans	-59.9	-45.9	177	0	0	0	0	0	112	A74 R75 Q76 T81 Q82	A74-A78 WeakPolarHBondContact O-CB 3.35Å; A74-A78 PolarHBondContact O-N 3.24Å; R75-A78 PolarHBondContact O-N 3.33Å; Q76-A78 PolarHBondContact O-N 3.02Å; A78-T81 PolarHBondContact O-N 3.26Å; A78-Q82 WeakPolarHBondContact O-CB 3.28Å; A78-Q82 PolarHBondContact O-N 3.17Å
79	Y	81	Confident	80.6	Confident	57 Å²	57	92.1 Å²	92.1	22%	0.224	47%	0.469	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177.9	-168.7	-87.7	0	0	0	112.3	I55 Q58 R75 Q76 K77 Q82 R83	I55-Y79 HydrophobicContact CB-CD1 4.35Å; I55-Y79 HydrophobicContact CB-CE1 4.21Å; I55-Y79 HydrophobicContact CG1-CD1 3.87Å; I55-Y79 HydrophobicContact CG1-CE1 3.63Å; I55-Y79 HydrophobicContact CG2-CD1 4.15Å; Q58-Y79 HydrophobicContact CB-CD2 4.2Å; Q58-Y79 HydrophobicContact CB-CE2 3.6Å; Q58-Y79 HydrophobicContact CG-CE2 3.76Å; R75-Y79 PolarHBondContact O-N 3.48Å; Q76-Y79 PolarHBondContact O-N 3.44Å; K77-Y79 PolarHBondContact O-N 2.95Å; Y79-Q82 PolarHBondContact O-N 3.16Å; Y79-R83 WeakPolarHBondContact O-CB 3.46Å; Y79-R83 PolarHBondContact O-N 3.47Å
80	L	77.8	Confident	79.5	Confident	86 Å²	86	88.1 Å²	88.1	45%	0.45	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-48	175.1	-71.6	170.8	0	0	0	111.8	I55 Q76 K77 Q82 R83 E84	I55-L80 HydrophobicContact CD1-CD2 3.99Å; Q76-L80 WeakPolarHBondContact O-CG 3.45Å; Q76-L80 PolarHBondContact O-N 3.42Å; K77-L80 PolarHBondContact O-N 2.89Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 3.38Å; L80-R83 PolarHBondContact O-N 3.35Å; L80-E84 WeakPolarHBondContact O-CB 3.45Å; L80-E84 PolarHBondContact O-N 3.42Å
81	T	82.7	Confident	77.9	Confident	53 Å²	53	89.1 Å²	89.1	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-66.2	-30.7	177.2	-63.4	0	0	0	0	112.8	K77 A78 K85	K77-T81 PolarHBondContact O-N 3.5Å; K77-T81 PolarHBondContact O-OG1 2.89Å; A78-T81 PolarHBondContact O-N 3.26Å; T81-K85 HydrophobicContact CG2-CD 4.48Å; T81-K85 VanDerWaalsContact O-CG 3.28Å; T81-K85 WeakPolarHBondContact O-CG 3.43Å; T81-K85 PolarHBondContact O-N 3.32Å
82	Q	80.9	Confident	76.4	Confident	108 Å²	108	90.1 Å²	90.1	51%	0.505	48%	0.476	S	S	.	.	H	α-helix	trans	-66.9	-49.2	171.2	178.4	172.8	-15	0	0	110.9	A78 Y79 L80 E84 K85 E86	A78-Q82 WeakPolarHBondContact O-CB 3.28Å; A78-Q82 PolarHBondContact O-N 3.17Å; Y79-Q82 PolarHBondContact O-N 3.16Å; L80-Q82 VanDerWaalsContact C-N 3.31Å; L80-Q82 PolarHBondContact O-N 3.38Å; Q82-E84 VanDerWaalsContact C-N 3.3Å; Q82-E84 PolarHBondContact O-N 2.83Å; Q82-K85 WeakPolarHBondContact O-CB 3.49Å; Q82-K85 PolarHBondContact O-N 3.48Å; Q82-K85 VanDerWaalsContact O-N 3.16Å; Q82-E86 HydrophobicContact CG-CG 4.48Å; Q82-E86 VanDerWaalsContact CG-OE1 3.27Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.43Å; Q82-E86 PolarHBondContact NE2-OE1 2.96Å; Q82-E86 WeakPolarHBondContact O-CG 3.47Å; Q82-E86 PolarHBondContact O-N 2.93Å
83	R	74.9	Confident	74.8	Confident	50 Å²	50	93.7 Å²	93.7	19%	0.189	49%	0.489	C	S	.	.	H	α-helix	trans	-61.2	-38	178.4	-167.7	178.4	-167.6	162	5.5	112.5	H51 Y79 L80 E86 L87	H51-R83 PolarHBondContact CD2-NH1 2.9Å; H51-R83 PolarHBondContact CE1-NH1 3.16Å; H51-R83 PolarHBondContact NE2-NE 3.17Å; H51-R83 PolarHBondContact NE2-NH1 3.07Å; H51-R83 PolarHBondContact O-NH1 3.35Å; Y79-R83 WeakPolarHBondContact O-CB 3.46Å; Y79-R83 PolarHBondContact O-N 3.47Å; L80-R83 PolarHBondContact O-N 3.35Å; R83-E86 PolarHBondContact O-N 2.89Å; R83-L87 HydrophobicContact CG-CD1 4.34Å; R83-L87 WeakPolarHBondContact O-CB 3.45Å; R83-L87 VanDerWaalsContact O-CG 3.29Å; R83-L87 WeakPolarHBondContact O-CG 3.47Å; R83-L87 PolarHBondContact O-N 3.34Å
84	E	76.1	Confident	72.7	Confident	132 Å²	132	91.6 Å²	91.6	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-62	-44.7	174.2	-176.4	177.3	-154.4	0	0	111.9	L80 Q82 L87 A88	L80-E84 WeakPolarHBondContact O-CB 3.45Å; L80-E84 PolarHBondContact O-N 3.42Å; Q82-E84 VanDerWaalsContact C-N 3.3Å; Q82-E84 PolarHBondContact O-N 2.83Å; E84-L87 PolarHBondContact O-N 3.5Å; E84-A88 WeakPolarHBondContact O-CB 3.43Å; E84-A88 PolarHBondContact O-N 3.31Å
85	K	80.5	Confident	70.7	Confident	134 Å²	134	96.4 Å²	96.4	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-63.1	-42	173.2	-72.4	169.5	-179.9	179.8	0	112.1	T81 Q82 A88 L89	T81-K85 HydrophobicContact CG2-CD 4.48Å; T81-K85 VanDerWaalsContact O-CG 3.28Å; T81-K85 WeakPolarHBondContact O-CG 3.43Å; T81-K85 PolarHBondContact O-N 3.32Å; Q82-K85 WeakPolarHBondContact O-CB 3.49Å; Q82-K85 PolarHBondContact O-N 3.48Å; Q82-K85 VanDerWaalsContact O-N 3.16Å; K85-A88 PolarHBondContact O-N 3.37Å; K85-L89 WeakPolarHBondContact O-CB 3.28Å; K85-L89 WeakPolarHBondContact O-CD1 3.27Å; K85-L89 VanDerWaalsContact O-CG 3.28Å; K85-L89 WeakPolarHBondContact O-CG 3.35Å; K85-L89 PolarHBondContact O-N 3.22Å
86	E	76.5	Confident	68.6	Low	106 Å²	106	96.7 Å²	96.7	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-36.6	177.6	-74.1	171.6	-169	0	0	112.1	Q82 R83 L89 G90	Q82-E86 HydrophobicContact CG-CG 4.48Å; Q82-E86 VanDerWaalsContact CG-OE1 3.27Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.43Å; Q82-E86 PolarHBondContact NE2-OE1 2.96Å; Q82-E86 WeakPolarHBondContact O-CG 3.47Å; Q82-E86 PolarHBondContact O-N 2.93Å; R83-E86 PolarHBondContact O-N 2.89Å; E86-L89 PolarHBondContact O-N 2.78Å; E86-G90 WeakPolarHBondContact O-CA 3.35Å; E86-G90 PolarHBondContact O-N 3.5Å
87	L	71	Confident	66.5	Low	101 Å²	101	101.8 Å²	101.8	53%	0.529	56%	0.56	S	S	.	*	H	α-helix	trans	-68.1	-42.6	172.4	-72.4	167	0	0	0	111.9	R83 E84 L89 G90 N91	R83-L87 HydrophobicContact CG-CD1 4.34Å; R83-L87 WeakPolarHBondContact O-CB 3.45Å; R83-L87 VanDerWaalsContact O-CG 3.29Å; R83-L87 WeakPolarHBondContact O-CG 3.47Å; R83-L87 PolarHBondContact O-N 3.34Å; E84-L87 PolarHBondContact O-N 3.5Å; L87-L89 VanDerWaalsContact C-N 3.32Å; L87-L89 PolarHBondContact O-N 3.17Å; L87-G90 PolarHBondContact O-N 2.89Å; L87-N91 PolarHBondContact O-N 2.89Å
88	A	72.2	Confident	64.3	Low	74 Å²	74	104.4 Å²	104.4	61%	0.612	57%	0.571	S	S	*	*	H	α-helix	trans	-62.6	-37.6	175	0	0	0	0	0	112.6	E84 K85	E84-A88 WeakPolarHBondContact O-CB 3.43Å; E84-A88 PolarHBondContact O-N 3.31Å; K85-A88 PolarHBondContact O-N 3.37Å
89	L	72.4	Confident	61.8	Low	112 Å²	112	106.2 Å²	106.2	59%	0.586	58%	0.58	S	S	*	*	H	α-helix	trans	-78.4	-24	174.5	-71.6	165.3	0	0	0	113.4	K85 E86 L87 S92	K85-L89 WeakPolarHBondContact O-CB 3.28Å; K85-L89 WeakPolarHBondContact O-CD1 3.27Å; K85-L89 VanDerWaalsContact O-CG 3.28Å; K85-L89 WeakPolarHBondContact O-CG 3.35Å; K85-L89 PolarHBondContact O-N 3.22Å; E86-L89 PolarHBondContact O-N 2.78Å; L87-L89 VanDerWaalsContact C-N 3.32Å; L87-L89 PolarHBondContact O-N 3.17Å; L89-S92 PolarHBondContact O-OG 3.44Å
90	G	60	Low	59.7	Low	32 Å²	32	111.5 Å²	111.5	33%	0.33	61%	0.607	S	S	.	*	H	α-helix	trans	-80.5	-36.7	-179.9	0	0	0	0	0	113	E86 L87 S92 K93 G94	E86-G90 WeakPolarHBondContact O-CA 3.35Å; E86-G90 PolarHBondContact O-N 3.5Å; L87-G90 PolarHBondContact O-N 2.89Å; G90-S92 PolarHBondContact O-N 3.33Å; G90-S92 VanDerWaalsContact O-N 3.15Å; G90-K93 PolarHBondContact O-N 3.01Å; G90-G94 PolarHBondContact O-N 3.38Å
91	N	52.6	Low	57.6	Low	132 Å²	132	115.7 Å²	115.7	71%	0.706	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-21.6	179.8	-86.5	15.6	0	0	0	114	L87	L87-N91 PolarHBondContact O-N 2.89Å
92	S	52.8	Low	55.6	Low	93 Å²	93	117.1 Å²	117.1	65%	0.65	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-7.1	172.5	58	0	0	0	0	114.2	L89 G90	L89-S92 PolarHBondContact O-OG 3.44Å; G90-S92 PolarHBondContact O-N 3.33Å; G90-S92 VanDerWaalsContact O-N 3.15Å
93	K	52.1	Low	53.6	Low	157 Å²	157	117.9 Å²	117.9	68%	0.683	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-22	-178.2	-63.7	-177.1	-179.8	-178.3	0	113.8	G90 L95	G90-K93 PolarHBondContact O-N 3.01Å; K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 3.11Å
94	G	40.7	Very low	52	Low	70 Å²	70	122.5 Å²	122.5	72%	0.722	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-6.5	-176.4	0	0	0	0	0	116.7	G90	G90-G94 PolarHBondContact O-N 3.38Å
95	L	42.6	Very low	50.5	Low	160 Å²	160	122.8 Å²	122.8	84%	0.838	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-4.1	-174.8	-91.4	155.1	0	0	0	114.8	K93	K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 3.11Å
96	A	38.7	Very low	48.7	Very low	86 Å²	86	124.4 Å²	124.4	71%	0.711	69%	0.69	S	S	*	*	S	Bend	trans	-104.1	19.3	-166.4	0	0	0	0	0	115.4
97	H	39.3	Very low	47	Very low	182 Å²	182	125.4 Å²	125.4	84%	0.843	69%	0.693	S	S	*	*	S	Bend	trans	-139.1	18.9	-164.7	-116.2	-61.7	0	0	0	116.4
98	K	39.1	Very low	45.5	Very low	207 Å²	207	122.9 Å²	122.9	90%	0.9	68%	0.68	S	S	*	*	S	Bend	trans	-147.9	33.8	-171.8	-142.4	174.9	-176.1	178.1	0	117.6
99	S	33.4	Very low	44.2	Very low	98 Å²	98	125.6 Å²	125.6	69%	0.685	68%	0.678	S	S	*	*			trans	-153.8	172.1	169.7	53.1	0	0	0	0	112.2
100	E	36.3	Very low	42.7	Very low	169 Å²	169	126.9 Å²	126.9	79%	0.79	68%	0.684	S	S	*	*			trans	69.2	66.2	162	-70.7	162.6	-142.8	0	0	117.8	S102	E100-S102 VanDerWaalsContact C-N 3.34Å; E100-S102 PolarHBondContact O-N 2.91Å
101	N	35.1	Very low	41.9	Very low	174 Å²	174	132.8 Å²	132.8	93%	0.93	70%	0.704	S	S	*	*			trans	-92.7	60.5	158	-160.9	25.3	0	0	0	110.6
102	S	39.4	Very low	41.4	Very low	82 Å²	82	132.3 Å²	132.3	57%	0.573	71%	0.708	S	S	*	*			trans	-165.9	130.3	175.9	54.7	0	0	0	0	112.5	E100	E100-S102 VanDerWaalsContact C-N 3.34Å; E100-S102 PolarHBondContact O-N 2.91Å
103	T	39.3	Very low	40.7	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	72%	0.716	S	S	*	*			trans	40.6	128.8	152.1	59.2	0	0	0	0	119.6
104	L	42.5	Very low	40.2	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	72%	0.722	S	S	*	*			cis	168.9	138	-3.2	-116.3	166.6	0	0	0	104.2
105	E	43.3	Very low	40.1	Very low	138 Å²	138	139 Å²	139	65%	0.645	73%	0.734	S	S	*	*			trans	76.2	134.3	161.8	-54.3	-172.7	-179.9	0	0	122.8
106	K	43.3	Very low	40.1	Very low	169 Å²	169	135.8 Å²	135.8	74%	0.735	73%	0.726	S	S	*	*			trans	69.6	126.5	158.6	-62.4	141.2	-175.9	160.3	0	116.7
107	K	40.1	Very low	40	Very low	127 Å²	127	142.4 Å²	142.4	55%	0.552	74%	0.739	S	S	*	*			cis	72.2	130.3	33.6	-53.7	-172.7	79.5	-160.3	0	112.4	E126	K107-E126 VanDerWaalsContact CE-OE1 3.31Å; K107-E126 WeakPolarHBondContact CE-OE1 3.29Å; K107-E126 IonicContact NZ-OE1 3.73Å; K107-E126 PolarHBondContact NZ-OE1 2.68Å; K107-E126 IonicContact NZ-OE2 3.24Å; K107-E126 PolarHBondContact NZ-OE2 2.65Å
108	N	41.2	Very low	40.4	Very low	47 Å²	47	138.6 Å²	138.6	25%	0.251	74%	0.739	S	S	.	*			cis	-126.9	-130.1	6.2	-77.5	-62.2	0	0	0	115.7	D125 E126 L127	N108-D125 WeakPolarHBondContact CB-OD1 3.22Å; N108-D125 PolarHBondContact ND2-OD1 2.97Å; N108-D125 PolarHBondContact ND2-OD2 2.9Å; N108-E126 WeakPolarHBondContact ND2-CG 3.31Å; N108-E126 PolarHBondContact ND2-OE1 3.15Å; N108-L127 VanDerWaalsContact OD1-CD1 3.22Å; N108-L127 WeakPolarHBondContact OD1-CD1 3.45Å
109	K	43.3	Very low	40.4	Very low	132 Å²	132	137.4 Å²	137.4	57%	0.574	74%	0.736	S	S	*	*				-171.3	125.8	-127.8	-179.5	-156.2	-176.9	-176.3	0	113.7	L127	K109-L127 HydrophobicContact CD-CD2 3.91Å
110	L	41	Very low	41	Very low	138 Å²	138	140.5 Å²	140.5	72%	0.723	74%	0.74	S	S	*	*			trans	154.2	161.1	137.5	-84.7	170.3	0	0	0	115.4
111	Q	44.7	Very low	41.5	Very low	157 Å²	157	140.9 Å²	140.9	73%	0.734	74%	0.742	S	S	*	*			trans	64.8	130.8	168	-52.1	-51.6	-14.4	0	0	121.8	S113	Q111-S113 PolarHBondContact O-N 3.27Å
112	P	40.5	Very low	42.1	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	73%	0.734	S	S	*	*			trans	-86.4	96.5	165.3	34.5	-29.6	0	0	0	110.9
113	S	38.7	Very low	42.3	Very low	119 Å²	119	141.2 Å²	141.2	83%	0.832	74%	0.741	S	S	*	*			trans	-71.1	155.7	176.4	-163.1	0	0	0	0	112.8	Q111	Q111-S113 PolarHBondContact O-N 3.27Å
114	L	41	Very low	42.4	Very low	154 Å²	154	141.5 Å²	141.5	81%	0.806	73%	0.734	S	S	*	*			trans	-84.4	162.9	-174.3	-79.7	155.9	0	0	0	113.1	S116	L114-S116 PolarHBondContact O-N 3.46Å
115	L	40.5	Very low	42.4	Very low	187 Å²	187	139 Å²	139	98%	0.979	72%	0.721	S	S	*	*	S	Bend	trans	-70.5	86.2	174.7	-71.8	164.3	0	0	0	111.7
116	S	41.3	Very low	42.3	Very low	93 Å²	93	137 Å²	137	65%	0.65	71%	0.712	S	S	*	*			trans	-146.3	128.6	168.4	53.1	0	0	0	0	112.1	L114 A118	L114-S116 PolarHBondContact O-N 3.46Å; S116-A118 PolarHBondContact O-N 2.8Å
117	F	37.3	Very low	42.1	Very low	224 Å²	224	132.7 Å²	132.7	98%	0.982	70%	0.697	S	S	*	*			trans	-63.1	119.1	168.7	-90.8	-122.1	0	0	0	110.2
118	A	46.3	Very low	42.1	Very low	102 Å²	102	134.4 Å²	134.4	84%	0.843	70%	0.704	S	S	*	*			trans	-156.2	168.9	160.8	0	0	0	0	0	108.5	S116	S116-A118 PolarHBondContact O-N 2.8Å
119	E	40.9	Very low	41.9	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	73%	0.727	S	S	*	*			trans	-125.9	162	-164.8	-168.3	161.1	-162.5	0	0	110.8
120	E	45.8	Very low	41.7	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	74%	0.738	S	S	*	*			trans	67.9	128.6	172.4	-79.1	166.8	158.8	0	0	120.9
121	E	46.8	Very low	41.3	Very low	177 Å²	177	136.1 Å²	136.1	83%	0.827	74%	0.742	S	S	*	*			trans	41.3	146.1	133.4	-60.1	-174	164.7	0	0	123.4
122	D	47	Very low	41	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	74%	0.738	S	S	*	*			cis	-166.8	167.1	-26.5	-163	10.3	0	0	0	109.6
123	V	43.1	Very low	40.9	Very low	119 Å²	119	133.5 Å²	133.5	72%	0.721	74%	0.743	S	S	*	*			trans	68	129.5	163.3	-156.3	0	0	0	0	121.3
124	E	42.1	Very low	40.8	Very low	131 Å²	131	134.1 Å²	134.1	61%	0.612	74%	0.736	S	S	*	*			trans	-64.3	-168	173.4	-51.6	177.1	109.7	0	0	114.1
125	D	41.7	Very low	40.7	Very low	93 Å²	93	135.5 Å²	135.5	50%	0.497	74%	0.736	S	S	.	*			cis	-169.8	170.5	25.1	-151.4	-4.1	0	0	0	116.3	N108	N108-D125 WeakPolarHBondContact CB-OD1 3.22Å; N108-D125 PolarHBondContact ND2-OD1 2.97Å; N108-D125 PolarHBondContact ND2-OD2 2.9Å
126	E	42.5	Very low	40.4	Very low	96 Å²	96	130.7 Å²	130.7	45%	0.449	72%	0.718	S	S	.	*			trans	47.3	155.6	155.8	-73.9	-147.9	-131.8	0	0	124.6	K107 N108	K107-E126 VanDerWaalsContact CE-OE1 3.31Å; K107-E126 WeakPolarHBondContact CE-OE1 3.29Å; K107-E126 IonicContact NZ-OE1 3.73Å; K107-E126 PolarHBondContact NZ-OE1 2.68Å; K107-E126 IonicContact NZ-OE2 3.24Å; K107-E126 PolarHBondContact NZ-OE2 2.65Å; N108-E126 WeakPolarHBondContact ND2-CG 3.31Å; N108-E126 PolarHBondContact ND2-OE1 3.15Å
127	L	38.6	Very low	40.2	Very low	80 Å²	80	135.2 Å²	135.2	42%	0.419	73%	0.729	S	S	.	*			cis	-177.9	177.9	-40.1	-118.2	-173.8	0	0	0	109.9	N108 K109	N108-L127 VanDerWaalsContact OD1-CD1 3.22Å; N108-L127 WeakPolarHBondContact OD1-CD1 3.45Å; K109-L127 HydrophobicContact CD-CD2 3.91Å
128	K	40.4	Very low	40.3	Very low	163 Å²	163	130 Å²	130	71%	0.709	72%	0.72	S	S	*	*			trans	79.2	160	163	-49.9	-174.3	-168.1	161.5	0	117.5
129	S	36.5	Very low	40	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	72%	0.717	S	S	*	*				173.5	130.4	-57.8	51.9	0	0	0	0	111.1
130	S	40	Very low	39.8	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	71%	0.709	S	S	*	*			trans	-166.4	132	144.8	42.3	0	0	0	0	115.2
131	T	31.8	Very low	39.7	Very low	132 Å²	132	128.4 Å²	128.4	81%	0.81	71%	0.707	S	S	*	*			trans	-20.5	158.9	142.7	46.4	0	0	0	0	118.5
132	A	37.5	Very low	39.1	Very low	78 Å²	78	126.2 Å²	126.2	65%	0.645	71%	0.706	S	S	*	*			cis	-174.6	-175.7	-8	0	0	0	0	0	110.2
133	V	39.6	Very low	38.8	Very low	146 Å²	146	127.4 Å²	127.4	89%	0.885	71%	0.707	S	S	*	*			trans	60.1	155.1	167.3	-63.1	0	0	0	0	118
134	D	36.5	Very low	38.8	Very low	131 Å²	131	129.5 Å²	129.5	70%	0.701	71%	0.709	S	S	*	*			cis	166.6	154.4	-28.3	177.1	32.2	0	0	0	105
135	K	38.1	Very low	38.4	Very low	183 Å²	183	131.6 Å²	131.6	80%	0.796	72%	0.716	S	S	*	*			trans	63.2	152.6	179.5	-68.2	-178.8	179.7	-179	0	117
136	S	35.8	Very low	38.2	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	72%	0.724	S	S	*	*			cis	-171.2	171.1	-22.1	51.7	0	0	0	0	109.6
137	E	35.3	Very low	37.9	Very low	187 Å²	187	135.4 Å²	135.4	87%	0.874	74%	0.74	S	S	*	*			trans	76.3	163.6	161.8	-63.7	-178.8	129	0	0	119.2
138	S	40.2	Very low	38	Very low	115 Å²	115	137 Å²	137	80%	0.804	76%	0.755	S	S	*	*			trans	-116.6	-159.5	-164.8	-42	0	0	0	0	109.1
139	P	39.5	Very low	38.1	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	76%	0.76	S	S	*	*			cis	-129	-174	-15.6	42	-26.8	0	0	0	112.8
140	D	36.9	Very low	38.4	Very low	128 Å²	128	141.1 Å²	141.1	68%	0.684	77%	0.765	S	S	*	*			trans	-152.4	168.4	147.1	-137.5	-11.1	0	0	0	116.6
141	K	43.8	Very low	38.2	Very low	166 Å²	166	141.6 Å²	141.6	72%	0.722	76%	0.763	S	S	*	*			trans	-66.2	158.3	-176.3	-61	162.8	-149.8	91.8	0	112.4
142	T	34.2	Very low	38.5	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	76%	0.762	S	S	*	*			cis	78.2	92.2	35.8	-49.2	0	0	0	0	115
143	E	41.3	Very low	38.4	Very low	170 Å²	170	144.6 Å²	144.6	79%	0.794	77%	0.767	S	S	*	*			trans	-173.6	168.8	149.1	-112.2	-177.8	-129.7	0	0	108.5
144	Q	42	Very low	38.1	Very low	163 Å²	163	145.4 Å²	145.4	76%	0.762	77%	0.766	S	S	*	*			cis	-139.1	-134.3	1	-155.1	-179.2	89.3	0	0	110.8
145	K	35.1	Very low	38.1	Very low	174 Å²	174	142.8 Å²	142.8	76%	0.757	77%	0.77	S	S	*	*			trans	-170.7	-178.8	-176.8	-122.4	-172.4	174.5	-169.6	0	107.6
146	P	36.3	Very low	38	Very low	104 Å²	104	143.9 Å²	143.9	68%	0.675	78%	0.778	S	S	*	*			cis	-134.8	-165.9	-20.4	40.1	-20.3	0	0	0	114.7
147	Q	36.4	Very low	38.1	Very low	166 Å²	166	143 Å²	143	78%	0.776	78%	0.784	S	S	*	*			trans	-32.7	-177.6	156.8	-65.9	168.6	-53.7	0	0	118.5
148	P	40.9	Very low	37.9	Very low	112 Å²	112	140.9 Å²	140.9	73%	0.727	78%	0.783	S	S	*	*			cis	-116	-141.9	1	18.3	7.7	0	0	0	114.7
149	E	42.6	Very low	38	Very low	177 Å²	177	142 Å²	142	83%	0.827	79%	0.785	S	S	*	*			cis	-148.4	-156.6	19.1	-75.6	176.2	159.3	0	0	114.8
150	E	42.8	Very low	37.8	Very low	180 Å²	180	146 Å²	146	84%	0.841	79%	0.79	S	S	*	*			trans	-61.4	158.5	-167.4	-66.9	169.2	-174.3	0	0	118.1
151	V	35.6	Very low	37.8	Very low	124 Å²	124	145.4 Å²	145.4	75%	0.752	80%	0.796	S	S	*	*			cis	114.6	137.8	11.6	171.9	0	0	0	0	113.9
152	L	38.9	Very low	37.2	Very low	152 Å²	152	145 Å²	145	80%	0.796	80%	0.801	S	S	*	*			trans	77.3	148.8	-175.4	-48.3	-171	0	0	0	116.1
153	T	34.7	Very low	37.3	Very low	121 Å²	121	146 Å²	146	74%	0.742	80%	0.802	S	S	*	*			cis	-152.3	169.4	-2.6	-3.9	0	0	0	0	111.9
154	D	32.6	Very low	37	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	81%	0.805	S	S	*	*			trans	-70.9	163.3	-176.8	-49.4	-97.8	0	0	0	117
155	G	38.3	Very low	37.2	Very low	77 Å²	77	144.1 Å²	144.1	79%	0.794	81%	0.805	S	S	*	*			trans	177.1	117.5	166.4	0	0	0	0	0	113.6
156	E	35.1	Very low	37.5	Very low	205 Å²	205	140.8 Å²	140.8	96%	0.958	80%	0.804	S	S	*	*			trans	-71.6	144.3	-180	-70.9	-179.1	86.1	0	0	113.4
157	G	37.4	Very low	37.8	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	81%	0.81	S	S	*	*			trans	-167.8	73.5	-179.3	0	0	0	0	0	114.1	V159	G157-V159 PolarHBondContact O-N 2.83Å; G157-V159 VanDerWaalsContact O-N 3.08Å
158	T	31.7	Very low	38.6	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	81%	0.81	S	S	*	*			trans	-68.8	99.8	-174.1	-54.7	0	0	0	0	114
159	V	41.1	Very low	38.7	Very low	138 Å²	138	149.2 Å²	149.2	84%	0.836	82%	0.82	S	S	*	*			trans	-138.1	141	159.3	-166.9	0	0	0	0	110.2	G157	G157-V159 PolarHBondContact O-N 2.83Å; G157-V159 VanDerWaalsContact O-N 3.08Å
160	K	35.9	Very low	39.3	Very low	205 Å²	205	148.6 Å²	148.6	89%	0.891	81%	0.81	S	S	*	*			trans	-76.9	136	175.6	-59.5	171.9	-178.4	175.2	0	110.7
161	S	37.9	Very low	40	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	79%	0.793	S	S	*	*			trans	-150.8	137.2	150.5	-171.7	0	0	0	0	109.3
162	D	31.4	Very low	40.9	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	80%	0.801	S	S	*	*			trans	-69.3	150.6	174.5	-51.8	-85.7	0	0	0	110.9
163	N	35.9	Very low	42.2	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	80%	0.803	S	S	*	*			trans	-146.1	106.9	164.8	-164.9	2.6	0	0	0	110.7
164	E	34.9	Very low	43.8	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	79%	0.79	S	S	*	*			trans	-71.4	127.6	179.4	-63.1	-176.8	98.9	0	0	111.4
165	S	45.6	Very low	45.7	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	78%	0.778	S	S	*	*			trans	-129.8	75.5	171.6	47.1	0	0	0	0	112.9
166	S	41.2	Very low	47.2	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	78%	0.782	S	S	*	*			trans	61.3	66.6	159.2	67.4	0	0	0	0	117.3	K168	S166-K168 PolarHBondContact O-N 3.01Å
167	T	43.6	Very low	49.2	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	78%	0.775	S	S	*	*			trans	-62.4	97	162.8	44.9	0	0	0	0	110.8	R169	T167-R169 PolarHBondContact O-N 3.21Å
168	K	51.8	Low	51	Low	180 Å²	180	142.6 Å²	142.6	78%	0.783	77%	0.766	S	S	*	*			trans	-57.8	108.2	174.7	-70.6	179.4	-179.4	174.1	0	109.4	S166 R170	S166-K168 PolarHBondContact O-N 3.01Å; K168-R170 PolarHBondContact O-N 3.48Å
169	R	44.7	Very low	53.1	Low	247 Å²	247	140.7 Å²	140.7	93%	0.932	75%	0.751	S	S	*	*			trans	-62.1	87.7	-178.3	-71.5	-176	173.6	-171.2	-1.3	111.9	T167	T167-R169 PolarHBondContact O-N 3.21Å
170	R	54.7	Low	54.6	Low	164 Å²	164	136.6 Å²	136.6	62%	0.619	73%	0.726	S	S	*	*			trans	-115.7	116.3	173.8	-60.6	-173.4	79.4	-169.4	-6	109.7	K168 D187	K168-R170 PolarHBondContact O-N 3.48Å; R170-D187 IonicContact CZ-OD1 2.73Å; R170-D187 IonicContact CZ-OD2 2.86Å; R170-D187 IonicContact NH1-OD1 3.23Å; R170-D187 PolarHBondContact NH1-OD1 2.99Å; R170-D187 IonicContact NH1-OD2 2.71Å; R170-D187 IonicContact NH2-OD1 2.65Å; R170-D187 PolarHBondContact NH2-OD1 3.29Å; R170-D187 IonicContact NH2-OD2 2.7Å; R170-D187 PolarHBondContact NH2-OD2 3.06Å
171	R	56	Low	56.4	Low	129 Å²	129	129.1 Å²	129.1	49%	0.487	70%	0.7	S	S	.	*			trans	62.2	70.6	168.5	-57.7	176.8	176.4	176.2	1.4	116.6	D185	R171-D185 IonicContact CZ-OD1 2.62Å; R171-D185 VanDerWaalsContact CZ-OD1 3.23Å; R171-D185 IonicContact CZ-OD2 2.89Å; R171-D185 IonicContact NH1-OD1 3.8Å; R171-D185 PolarHBondContact NH1-OD1 2.88Å; R171-D185 IonicContact NH1-OD2 2.76Å; R171-D185 PolarHBondContact NH1-OD2 3.49Å; R171-D185 IonicContact NH2-OD1 2.93Å; R171-D185 PolarHBondContact NH2-OD1 2.84Å
172	L	54.6	Low	57.8	Low	173 Å²	173	132 Å²	132	91%	0.906	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	141.7	154.9	-113.8	68.4	0	0	0	110.2
173	G	67.3	Low	59.9	Low	81 Å²	81	128.8 Å²	128.8	84%	0.835	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.4	8.3	167.4	0	0	0	0	0	117.7
174	K	68.6	Low	61.6	Low	111 Å²	111	127.2 Å²	127.2	48%	0.483	68%	0.679	S	S	.	*			trans	-104	130.6	166.9	-68.7	-170.4	176.2	-171	0	110.4
175	N	71.3	Confident	63.4	Low	117 Å²	117	119.4 Å²	119.4	63%	0.626	64%	0.643	S	S	*	*			trans	-71.1	129.2	176.2	-69.6	-12.2	0	0	0	110.1	T177 V178	N175-T177 PolarHBondContact O-N 3.42Å; N175-T177 VanDerWaalsContact O-N 3.16Å; N175-V178 HydrophobicContact CB-CG2 3.98Å; N175-V178 PolarHBondContact O-N 3.44Å
176	P	70.6	Confident	65	Low	134 Å²	134	119.9 Å²	119.9	87%	0.87	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-6.7	-175.4	30.5	-36.7	0	0	0	114.2
177	T	77.9	Confident	66.9	Low	132 Å²	132	117 Å²	117	81%	0.81	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-0.5	180	49.4	0	0	0	0	113.9	N175	N175-T177 PolarHBondContact O-N 3.42Å; N175-T177 VanDerWaalsContact O-N 3.16Å
178	V	74.4	Confident	68.6	Low	89 Å²	89	115.1 Å²	115.1	54%	0.539	59%	0.59	S	S	.	*	S	Bend	trans	-93.8	121.8	176.4	176.8	0	0	0	0	108.8	N175 T180	N175-V178 HydrophobicContact CB-CG2 3.98Å; N175-V178 PolarHBondContact O-N 3.44Å; V178-T180 PolarHBondContact O-N 2.82Å; V178-T180 VanDerWaalsContact O-N 3.17Å
179	D	76.1	Confident	70.1	Confident	101 Å²	101	110.2 Å²	110.2	54%	0.54	57%	0.573	S	S	.	*			trans	-65.1	114.5	176.8	179.9	22.4	0	0	0	111.3	S181 F182	D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.17Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.09Å; D179-S181 VanDerWaalsContact OD1-OG 3.09Å; D179-S181 PolarHBondContact OD2-OG 3.09Å; D179-F182 WeakPolarHBondContact OD2-CE2 3.49Å
180	T	73.2	Confident	72	Confident	52 Å²	52	103.6 Å²	103.6	32%	0.319	55%	0.552	S	S	.	*			trans	-97.4	10.8	175.1	55	0	0	0	0	113.5	V178 F182 L183	V178-T180 PolarHBondContact O-N 2.82Å; V178-T180 VanDerWaalsContact O-N 3.17Å; T180-F182 PolarHBondContact O-N 2.73Å; T180-F182 VanDerWaalsContact O-N 3.07Å; T180-L183 PolarHBondContact O-N 2.73Å
181	S	72.7	Confident	73.4	Confident	48 Å²	48	101 Å²	101	34%	0.336	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.1	179.6	72.2	0	0	0	0	114.3	D179 R188	D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.17Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.09Å; D179-S181 VanDerWaalsContact OD1-OG 3.09Å; D179-S181 PolarHBondContact OD2-OG 3.09Å; S181-R188 VanDerWaalsContact O-CZ 3.23Å; S181-R188 PolarHBondContact O-NH1 2.68Å; S181-R188 PolarHBondContact O-NH2 2.79Å
182	F	67.6	Low	74.8	Confident	174 Å²	174	100 Å²	100	76%	0.763	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.6	177.5	-58.7	-80	0	0	0	114.4	D179 T180	D179-F182 WeakPolarHBondContact OD2-CE2 3.49Å; T180-F182 PolarHBondContact O-N 2.73Å; T180-F182 VanDerWaalsContact O-N 3.07Å
183	L	74.9	Confident	76.4	Confident	90 Å²	90	98 Å²	98	47%	0.471	53%	0.532	S	S	.	.	S	Bend	trans	-94.3	135.7	176.6	-79.5	76.4	0	0	0	110.1	T180 D185 R188	T180-L183 PolarHBondContact O-N 2.73Å; L183-D185 PolarHBondContact O-N 3.43Å; L183-R188 PolarHBondContact O-NH2 3.14Å
184	P	71.5	Confident	77.5	Confident	119 Å²	119	100.5 Å²	100.5	77%	0.773	52%	0.516	S	S	*	.			trans	-56.8	123.4	166.3	-21.2	32.7	0	0	0	109.4
185	D	73.9	Confident	78.5	Confident	22 Å²	22	100 Å²	100	12%	0.118	52%	0.518	C	S	.	.			trans	-138.5	110.7	-179.7	-151.1	-3.6	0	0	0	109.8	R171 L183 D187 R188 D189	R171-D185 IonicContact CZ-OD1 2.62Å; R171-D185 VanDerWaalsContact CZ-OD1 3.23Å; R171-D185 IonicContact CZ-OD2 2.89Å; R171-D185 IonicContact NH1-OD1 3.8Å; R171-D185 PolarHBondContact NH1-OD1 2.88Å; R171-D185 IonicContact NH1-OD2 2.76Å; R171-D185 PolarHBondContact NH1-OD2 3.49Å; R171-D185 IonicContact NH2-OD1 2.93Å; R171-D185 PolarHBondContact NH2-OD1 2.84Å; L183-D185 PolarHBondContact O-N 3.43Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 VanDerWaalsContact O-N 3.17Å; D185-R188 HydrophobicContact CB-CB 4.28Å; D185-R188 WeakPolarHBondContact O-CA 3.46Å; D185-R188 WeakPolarHBondContact O-CB 3.34Å; D185-R188 PolarHBondContact O-N 3.26Å; D185-D189 PolarHBondContact O-N 2.98Å
186	I	77.9	Confident	79.4	Confident	119 Å²	119	101.2 Å²	101.2	61%	0.61	51%	0.514	S	S	*	.	H	α-helix	trans	-56.5	-39	-169.4	-61.4	169.1	0	0	0	111	R188 D189 E190	I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 2.76Å; I186-D189 PolarHBondContact O-N 2.91Å; I186-E190 HydrophobicContact CG2-CG 4.35Å; I186-E190 WeakPolarHBondContact CG2-OE1 3.26Å; I186-E190 VanDerWaalsContact O-CB 3.29Å; I186-E190 WeakPolarHBondContact O-CB 3.27Å; I186-E190 VanDerWaalsContact O-CG 3.31Å; I186-E190 WeakPolarHBondContact O-CG 3.22Å; I186-E190 PolarHBondContact O-N 3.05Å
187	D	82.6	Confident	80.4	Confident	43 Å²	43	97.4 Å²	97.4	23%	0.23	49%	0.485	C	S	.	.	H	α-helix	trans	-60.6	-42.3	177.3	-62.3	-67.9	0	0	0	112.1	R170 D185 E191	R170-D187 IonicContact CZ-OD1 2.73Å; R170-D187 IonicContact CZ-OD2 2.86Å; R170-D187 IonicContact NH1-OD1 3.23Å; R170-D187 PolarHBondContact NH1-OD1 2.99Å; R170-D187 IonicContact NH1-OD2 2.71Å; R170-D187 IonicContact NH2-OD1 2.65Å; R170-D187 PolarHBondContact NH2-OD1 3.29Å; R170-D187 IonicContact NH2-OD2 2.7Å; R170-D187 PolarHBondContact NH2-OD2 3.06Å; D185-D187 PolarHBondContact O-N 3.49Å; D185-D187 VanDerWaalsContact O-N 3.17Å; D187-E191 WeakPolarHBondContact O-CB 3.28Å; D187-E191 VanDerWaalsContact O-CG 3.28Å; D187-E191 WeakPolarHBondContact O-CG 3.3Å; D187-E191 PolarHBondContact O-N 2.89Å
188	R	78.1	Confident	81.2	Confident	92 Å²	92	95 Å²	95	35%	0.347	47%	0.465	S	S	.	.	H	α-helix	trans	-74.4	-40	178.5	-179.4	179.9	61.9	130.2	-10.6	112.2	S181 L183 D185 I186 E190 E191 E192	S181-R188 VanDerWaalsContact O-CZ 3.23Å; S181-R188 PolarHBondContact O-NH1 2.68Å; S181-R188 PolarHBondContact O-NH2 2.79Å; L183-R188 PolarHBondContact O-NH2 3.14Å; D185-R188 HydrophobicContact CB-CB 4.28Å; D185-R188 WeakPolarHBondContact O-CA 3.46Å; D185-R188 WeakPolarHBondContact O-CB 3.34Å; D185-R188 PolarHBondContact O-N 3.26Å; I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 2.76Å; R188-E190 VanDerWaalsContact C-N 3.29Å; R188-E190 PolarHBondContact O-N 3.29Å; R188-E191 PolarHBondContact O-N 3.44Å; R188-E192 PolarHBondContact O-N 3.12Å
189	D	83	Confident	82.1	Confident	77 Å²	77	96.1 Å²	96.1	41%	0.412	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-35.5	177.4	-64	-2.3	0	0	0	110.3	D185 I186 K193	D185-D189 PolarHBondContact O-N 2.98Å; I186-D189 PolarHBondContact O-N 2.91Å; D189-K193 VanDerWaalsContact O-CB 3.22Å; D189-K193 WeakPolarHBondContact O-CB 3.45Å; D189-K193 PolarHBondContact O-N 2.89Å
190	E	85.3	Confident	82.8	Confident	108 Å²	108	98.5 Å²	98.5	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-69.3	-37	170.8	-77.3	-177.8	-162.7	0	0	112.8	I186 R188 R194	I186-E190 HydrophobicContact CG2-CG 4.35Å; I186-E190 WeakPolarHBondContact CG2-OE1 3.26Å; I186-E190 VanDerWaalsContact O-CB 3.29Å; I186-E190 WeakPolarHBondContact O-CB 3.27Å; I186-E190 VanDerWaalsContact O-CG 3.31Å; I186-E190 WeakPolarHBondContact O-CG 3.22Å; I186-E190 PolarHBondContact O-N 3.05Å; R188-E190 VanDerWaalsContact C-N 3.29Å; R188-E190 PolarHBondContact O-N 3.29Å; E190-R194 VanDerWaalsContact O-CB 3.27Å; E190-R194 WeakPolarHBondContact O-CB 3.26Å; E190-R194 PolarHBondContact O-N 3.35Å
191	E	84.6	Confident	83.8	Confident	110 Å²	110	103.5 Å²	103.5	51%	0.514	48%	0.481	S	S	.	.	H	α-helix	trans	-67.4	-45.9	173.7	-77.9	169.8	-175.8	0	0	112.3	D187 R188 K193 R194 L195	D187-E191 WeakPolarHBondContact O-CB 3.28Å; D187-E191 VanDerWaalsContact O-CG 3.28Å; D187-E191 WeakPolarHBondContact O-CG 3.3Å; D187-E191 PolarHBondContact O-N 2.89Å; R188-E191 PolarHBondContact O-N 3.44Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; E191-R194 PolarHBondContact O-N 3.36Å; E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CG 3.19Å; E191-L195 PolarHBondContact O-N 2.85Å
192	E	84.6	Confident	84.9	Confident	107 Å²	107	105.9 Å²	105.9	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.3	-164.9	-163.5	147.2	0	0	111	R188 R196	R188-E192 PolarHBondContact O-N 3.12Å; E192-R196 VanDerWaalsContact O-CB 3.26Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.18Å; E192-R196 IonicContact OE1-CZ 3.15Å; E192-R196 IonicContact OE1-NH1 3.75Å; E192-R196 PolarHBondContact OE1-NH1 3.17Å; E192-R196 IonicContact OE1-NH2 3.13Å
193	K	88.3	Confident	86.1	Confident	131 Å²	131	104.9 Å²	104.9	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-44.2	173.8	-177.1	-172	170.5	-163.8	0	111.2	D189 E191 R196 E197	D189-K193 VanDerWaalsContact O-CB 3.22Å; D189-K193 WeakPolarHBondContact O-CB 3.45Å; D189-K193 PolarHBondContact O-N 2.89Å; E191-K193 VanDerWaalsContact C-N 3.32Å; E191-K193 PolarHBondContact O-N 2.87Å; K193-R196 PolarHBondContact O-N 2.86Å; K193-E197 WeakPolarHBondContact CE-OE1 3.27Å; K193-E197 IonicContact NZ-OE1 2.68Å; K193-E197 PolarHBondContact O-N 3.33Å
194	R	91.4	Very high	87	Confident	134 Å²	134	104.5 Å²	104.5	51%	0.506	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-49.9	178.9	-167.7	-171.5	-53.8	160.7	11.2	111.1	E190 E191 R196 E197 E198	E190-R194 VanDerWaalsContact O-CB 3.27Å; E190-R194 WeakPolarHBondContact O-CB 3.26Å; E190-R194 PolarHBondContact O-N 3.35Å; E191-R194 PolarHBondContact O-N 3.36Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.44Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 WeakPolarHBondContact O-CA 3.15Å; R194-E197 WeakPolarHBondContact O-CB 3.37Å; R194-E197 PolarHBondContact O-N 3.23Å; R194-E198 WeakPolarHBondContact CD-OE1 3.21Å; R194-E198 HydrophobicContact CG-CG 4.46Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 WeakPolarHBondContact O-CB 3.32Å; R194-E198 WeakPolarHBondContact O-CG 3.45Å; R194-E198 PolarHBondContact O-N 3.26Å
195	L	89.6	Confident	88	Confident	101 Å²	101	101.7 Å²	101.7	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-58.1	-40.7	175.2	-71.3	167.9	0	0	0	111.7	E191 E198 L199	E191-L195 WeakPolarHBondContact O-CB 3.27Å; E191-L195 WeakPolarHBondContact O-CG 3.19Å; E191-L195 PolarHBondContact O-N 2.85Å; L195-E198 PolarHBondContact O-N 3.39Å; L195-L199 VanDerWaalsContact O-CB 3.3Å; L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 2.86Å
196	R	88.7	Confident	88.9	Confident	142 Å²	142	106.3 Å²	106.3	54%	0.536	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-32.1	175.4	-177.1	175.9	-96.2	100.5	-9.4	112.6	E192 K193 R194 R200	E192-R196 VanDerWaalsContact O-CB 3.26Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.18Å; E192-R196 IonicContact OE1-CZ 3.15Å; E192-R196 IonicContact OE1-NH1 3.75Å; E192-R196 PolarHBondContact OE1-NH1 3.17Å; E192-R196 IonicContact OE1-NH2 3.13Å; K193-R196 PolarHBondContact O-N 2.86Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 3.44Å; R196-R200 VanDerWaalsContact O-CB 3.27Å; R196-R200 WeakPolarHBondContact O-CB 3.09Å; R196-R200 PolarHBondContact O-N 2.99Å; R196-R200 VanDerWaalsContact O-N 3.12Å
197	E	92.8	Very high	89.5	Confident	55 Å²	55	102.6 Å²	102.6	26%	0.257	47%	0.465	S	S	.	.	H	α-helix	trans	-73.1	-39.6	171.2	-78.7	-170.3	-148.1	0	0	112.6	K193 R194 R200 R201	K193-E197 WeakPolarHBondContact CE-OE1 3.27Å; K193-E197 IonicContact NZ-OE1 2.68Å; K193-E197 PolarHBondContact O-N 3.33Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 WeakPolarHBondContact O-CA 3.15Å; R194-E197 WeakPolarHBondContact O-CB 3.37Å; R194-E197 PolarHBondContact O-N 3.23Å; E197-R200 WeakPolarHBondContact O-CB 3.47Å; E197-R200 PolarHBondContact O-N 2.96Å; E197-R201 WeakPolarHBondContact O-CG 3.43Å; E197-R201 PolarHBondContact O-N 3.18Å; E197-R201 IonicContact OE2-CZ 2.65Å; E197-R201 IonicContact OE2-NH2 3.65Å; E197-R201 PolarHBondContact OE2-NH2 2.6Å
198	E	94.3	Very high	89.9	Confident	82 Å²	82	103.1 Å²	103.1	38%	0.383	48%	0.475	S	S	.	.	H	α-helix	trans	-64.7	-49.7	176.4	-74.3	164.1	175.4	0	0	110.7	R194 L195 R200 R201 E202	R194-E198 WeakPolarHBondContact CD-OE1 3.21Å; R194-E198 HydrophobicContact CG-CG 4.46Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 WeakPolarHBondContact O-CB 3.32Å; R194-E198 WeakPolarHBondContact O-CG 3.45Å; R194-E198 PolarHBondContact O-N 3.26Å; L195-E198 PolarHBondContact O-N 3.39Å; E198-R200 VanDerWaalsContact C-N 3.27Å; E198-R200 PolarHBondContact O-N 2.75Å; E198-R201 PolarHBondContact O-N 2.71Å; E198-R201 VanDerWaalsContact O-N 3.08Å; E198-E202 PolarHBondContact O-N 2.93Å
199	L	92.7	Very high	90.6	Very high	111 Å²	111	101.3 Å²	101.3	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-59.5	-35.3	172.6	-71.6	170	0	0	0	112.4	L195 W203	L195-L199 VanDerWaalsContact O-CB 3.3Å; L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 2.86Å; L199-W203 WeakPolarHBondContact O-CB 3.48Å; L199-W203 PolarHBondContact O-N 2.89Å
200	R	92	Very high	90.9	Very high	151 Å²	151	100.3 Å²	100.3	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-43.9	172.9	-173.4	-166.2	-62.7	152.4	-0.6	111.5	R196 E197 E198 W203 V204	R196-R200 VanDerWaalsContact O-CB 3.27Å; R196-R200 WeakPolarHBondContact O-CB 3.09Å; R196-R200 PolarHBondContact O-N 2.99Å; R196-R200 VanDerWaalsContact O-N 3.12Å; E197-R200 WeakPolarHBondContact O-CB 3.47Å; E197-R200 PolarHBondContact O-N 2.96Å; E198-R200 VanDerWaalsContact C-N 3.27Å; E198-R200 PolarHBondContact O-N 2.75Å; R200-W203 PolarHBondContact O-N 3.1Å; R200-V204 WeakPolarHBondContact O-CG2 3.49Å; R200-V204 PolarHBondContact O-N 2.9Å
201	R	94	Very high	91.2	Very high	158 Å²	158	99 Å²	99	60%	0.596	47%	0.467	S	S	*	.	H	α-helix	trans	-64.6	-46.1	177.8	-69.4	165.2	-158.2	-171.2	7.7	110.8	E197 E198 V204 A205	E197-R201 WeakPolarHBondContact O-CG 3.43Å; E197-R201 PolarHBondContact O-N 3.18Å; E197-R201 IonicContact OE2-CZ 2.65Å; E197-R201 IonicContact OE2-NH2 3.65Å; E197-R201 PolarHBondContact OE2-NH2 2.6Å; E198-R201 PolarHBondContact O-N 2.71Å; E198-R201 VanDerWaalsContact O-N 3.08Å; R201-V204 PolarHBondContact O-N 2.84Å; R201-A205 VanDerWaalsContact O-CB 3.31Å; R201-A205 WeakPolarHBondContact O-CB 3.5Å; R201-A205 PolarHBondContact O-N 3.23Å
202	E	95.1	Very high	91.6	Very high	97 Å²	97	99 Å²	99	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-58.1	-46.9	172.6	-83.3	-163.2	-157.5	0	0	112.1	E198 A205 K206	E198-E202 PolarHBondContact O-N 2.93Å; E202-A205 PolarHBondContact O-N 3.48Å; E202-K206 WeakPolarHBondContact O-CB 2.98Å; E202-K206 WeakPolarHBondContact O-CD 3.4Å; E202-K206 VanDerWaalsContact O-CG 3.24Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.14Å; E202-K206 IonicContact OE2-NZ 3.49Å; E202-K206 PolarHBondContact OE2-NZ 3.4Å
203	W	92	Very high	91.9	Very high	154 Å²	154	98 Å²	98	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-61.3	-49.5	179.1	-175.7	86	0	0	0	110.4	L199 R200 A205 K206 Q207	L199-W203 WeakPolarHBondContact O-CB 3.48Å; L199-W203 PolarHBondContact O-N 2.89Å; R200-W203 PolarHBondContact O-N 3.1Å; W203-A205 VanDerWaalsContact C-N 3.31Å; W203-A205 PolarHBondContact O-N 2.93Å; W203-K206 PolarHBondContact O-N 3.38Å; W203-Q207 HydrophobicContact CD2-CG 3.69Å; W203-Q207 HydrophobicContact CE3-CG 3.82Å; W203-Q207 HydrophobicContact CG-CG 4.37Å; W203-Q207 HydrophobicContact CH2-CG 3.81Å; W203-Q207 VanDerWaalsContact CZ2-CD 3.45Å; W203-Q207 HydrophobicContact CZ2-CG 3.68Å; W203-Q207 HydrophobicContact CZ3-CG 3.88Å; W203-Q207 WeakPolarHBondContact O-CB 3.43Å; W203-Q207 WeakPolarHBondContact O-CG 3.31Å; W203-Q207 PolarHBondContact O-N 2.88Å
204	V	93.5	Very high	92	Very high	82 Å²	82	97.8 Å²	97.8	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-59.3	-40.3	175.7	172.3	0	0	0	0	111.8	R200 R201 Q207 A208	R200-V204 WeakPolarHBondContact O-CG2 3.49Å; R200-V204 PolarHBondContact O-N 2.9Å; R201-V204 PolarHBondContact O-N 2.84Å; V204-Q207 PolarHBondContact O-N 3.08Å; V204-A208 VanDerWaalsContact O-CB 3.3Å; V204-A208 WeakPolarHBondContact O-CB 3.5Å; V204-A208 PolarHBondContact O-N 2.82Å
205	A	94.3	Very high	91.9	Very high	59 Å²	59	92.2 Å²	92.2	49%	0.488	44%	0.443	S	S	.	.	H	α-helix	trans	-65.4	-42.8	176.5	0	0	0	0	0	112.4	R201 E202 W203 A208 A209	R201-A205 VanDerWaalsContact O-CB 3.31Å; R201-A205 WeakPolarHBondContact O-CB 3.5Å; R201-A205 PolarHBondContact O-N 3.23Å; E202-A205 PolarHBondContact O-N 3.48Å; W203-A205 VanDerWaalsContact C-N 3.31Å; W203-A205 PolarHBondContact O-N 2.93Å; A205-A208 PolarHBondContact O-N 2.86Å; A205-A209 WeakPolarHBondContact O-CB 3.43Å; A205-A209 PolarHBondContact O-N 3.31Å
206	K	91	Very high	92	Very high	119 Å²	119	91.5 Å²	91.5	52%	0.517	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-41.8	175.2	-71.7	162	178.3	170.9	0	111.2	E202 W203 A208 A209 I210	E202-K206 WeakPolarHBondContact O-CB 2.98Å; E202-K206 WeakPolarHBondContact O-CD 3.4Å; E202-K206 VanDerWaalsContact O-CG 3.24Å; E202-K206 WeakPolarHBondContact O-CG 3.4Å; E202-K206 PolarHBondContact O-N 3.14Å; E202-K206 IonicContact OE2-NZ 3.49Å; E202-K206 PolarHBondContact OE2-NZ 3.4Å; W203-K206 PolarHBondContact O-N 3.38Å; K206-A208 VanDerWaalsContact C-N 3.35Å; K206-A209 PolarHBondContact O-N 3.18Å; K206-I210 WeakPolarHBondContact O-CD1 3.24Å; K206-I210 VanDerWaalsContact O-CG1 3.28Å; K206-I210 WeakPolarHBondContact O-CG1 3.44Å; K206-I210 PolarHBondContact O-N 3.18Å; K206-I210 VanDerWaalsContact O-N 3.13Å
207	Q	90.6	Very high	92	Very high	42 Å²	42	85.2 Å²	85.2	20%	0.196	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-40	172.5	-65.5	-73.8	-73.1	0	0	112	W203 V204 K211 Y281	W203-Q207 HydrophobicContact CD2-CG 3.69Å; W203-Q207 HydrophobicContact CE3-CG 3.82Å; W203-Q207 HydrophobicContact CG-CG 4.37Å; W203-Q207 HydrophobicContact CH2-CG 3.81Å; W203-Q207 VanDerWaalsContact CZ2-CD 3.45Å; W203-Q207 HydrophobicContact CZ2-CG 3.68Å; W203-Q207 HydrophobicContact CZ3-CG 3.88Å; W203-Q207 WeakPolarHBondContact O-CB 3.43Å; W203-Q207 WeakPolarHBondContact O-CG 3.31Å; W203-Q207 PolarHBondContact O-N 2.88Å; V204-Q207 PolarHBondContact O-N 3.08Å; Q207-K211 WeakPolarHBondContact O-CB 3Å; Q207-K211 VanDerWaalsContact O-CG 3.27Å; Q207-K211 WeakPolarHBondContact O-CG 3.22Å; Q207-K211 PolarHBondContact O-N 2.79Å; Q207-Y281 PolarHBondContact NE2-OH 3.41Å; Q207-Y281 PolarHBondContact OE1-OH 2.75Å
208	A	92	Very high	91.9	Very high	53 Å²	53	84 Å²	84	44%	0.438	42%	0.416	S	S	.	.	H	α-helix	trans	-69	-43.5	177.8	0	0	0	0	0	112	V204 A205 K206 K211 E212	V204-A208 VanDerWaalsContact O-CB 3.3Å; V204-A208 WeakPolarHBondContact O-CB 3.5Å; V204-A208 PolarHBondContact O-N 2.82Å; A205-A208 PolarHBondContact O-N 2.86Å; K206-A208 VanDerWaalsContact C-N 3.35Å; A208-K211 CarbonylContact O-C 3.55Å; A208-K211 PolarHBondContact O-N 2.99Å; A208-K211 VanDerWaalsContact O-N 3.13Å; A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 2.92Å
209	A	92.4	Very high	91.8	Very high	54 Å²	54	80.1 Å²	80.1	45%	0.446	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-51	175.9	0	0	0	0	0	111.7	A205 K206 K211 E212 E213	A205-A209 WeakPolarHBondContact O-CB 3.43Å; A205-A209 PolarHBondContact O-N 3.31Å; K206-A209 PolarHBondContact O-N 3.18Å; A209-K211 PolarHBondContact O-N 3.28Å; A209-E212 PolarHBondContact O-N 3.31Å; A209-E213 PolarHBondContact O-N 2.8Å
210	I	88.8	Confident	91.8	Very high	56 Å²	56	75.5 Å²	75.5	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-24.7	179	-54.7	159.7	0	0	0	111.7	K206 E213 K235 Y281	K206-I210 WeakPolarHBondContact O-CD1 3.24Å; K206-I210 VanDerWaalsContact O-CG1 3.28Å; K206-I210 WeakPolarHBondContact O-CG1 3.44Å; K206-I210 PolarHBondContact O-N 3.18Å; K206-I210 VanDerWaalsContact O-N 3.13Å; I210-E213 WeakPolarHBondContact CA-OE1 3.48Å; I210-K235 HydrophobicContact CG2-CD 4.33Å; I210-K235 VanDerWaalsContact O-CB 3.26Å; I210-K235 WeakPolarHBondContact O-CB 3.5Å; I210-K235 VanDerWaalsContact O-CD 3.27Å; I210-K235 WeakPolarHBondContact O-CD 3.47Å; I210-Y281 HydrophobicContact CB-CD2 4.43Å; I210-Y281 HydrophobicContact CB-CE2 3.87Å; I210-Y281 HydrophobicContact CG2-CD2 3.94Å; I210-Y281 HydrophobicContact CG2-CE2 3.6Å
211	K	92.2	Very high	91.9	Very high	81 Å²	81	68.5 Å²	68.5	35%	0.352	35%	0.349	S	S	.	.	H	α-helix	trans	-79.7	-24.6	173.1	-78.2	177.6	178.8	-175.7	0	113.7	Q207 A208 A209 K234 K235 G236 Y281	Q207-K211 WeakPolarHBondContact O-CB 3Å; Q207-K211 VanDerWaalsContact O-CG 3.27Å; Q207-K211 WeakPolarHBondContact O-CG 3.22Å; Q207-K211 PolarHBondContact O-N 2.79Å; A208-K211 CarbonylContact O-C 3.55Å; A208-K211 PolarHBondContact O-N 2.99Å; A208-K211 VanDerWaalsContact O-N 3.13Å; A209-K211 PolarHBondContact O-N 3.28Å; K211-K234 WeakPolarHBondContact O-CB 3.44Å; K211-K235 PolarHBondContact O-N 3.35Å; K211-G236 PolarHBondContact O-N 3.1Å; K211-Y281 HydrophobicContact CD-CD1 4.31Å; K211-Y281 HydrophobicContact CD-CG 4.28Å; K211-Y281 VanDerWaalsContact CE-CE1 3.43Å; K211-Y281 HydrophobicContact CG-CD1 4.16Å; K211-Y281 HydrophobicContact CG-CD2 3.61Å; K211-Y281 HydrophobicContact CG-CE2 4.12Å; K211-Y281 HydrophobicContact CG-CG 3.64Å
212	E	92.9	Very high	91.7	Very high	111 Å²	111	63.4 Å²	63.4	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-86.4	-24.7	-179.8	-178.8	65	-173.7	0	0	112.4	A208 A209 E214 K234	A208-E212 WeakPolarHBondContact O-CB 3.47Å; A208-E212 PolarHBondContact O-N 2.92Å; A209-E212 PolarHBondContact O-N 3.31Å; E212-E214 PolarHBondContact O-N 2.67Å; E212-K234 WeakPolarHBondContact O-CD 3.35Å; E212-K234 IonicContact OE1-NZ 3.75Å; E212-K234 PolarHBondContact OE1-NZ 3.4Å; E212-K234 WeakPolarHBondContact OE2-CD 3.46Å; E212-K234 IonicContact OE2-NZ 3.32Å; E212-K234 PolarHBondContact OE2-NZ 3.25Å
213	E	91	Very high	91.4	Very high	84 Å²	84	61.1 Å²	61.1	39%	0.393	32%	0.32	S	S	.	.	S	Bend	trans	-51	129.8	172	-77.3	166.6	-149.3	0	0	113.1	A209 I210 K234 K235	A209-E213 PolarHBondContact O-N 2.8Å; I210-E213 WeakPolarHBondContact CA-OE1 3.48Å; E213-K234 CarbonylContact O-C 3.59Å; E213-K234 VanDerWaalsContact O-CA 3.32Å; E213-K234 WeakPolarHBondContact O-CA 3.31Å; E213-K235 HydrophobicContact CB-CD 3.92Å; E213-K235 PolarHBondContact O-N 3.28Å; E213-K235 IonicContact OE2-NZ 2.64Å; E213-K235 PolarHBondContact OE2-NZ 2.78Å
214	E	91.5	Very high	91	Very high	128 Å²	128	56.3 Å²	56.3	60%	0.598	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	144.5	177.1	-69.5	-160.8	-178.4	0	0	113.1	E212 R232 M233 K234	E212-E214 PolarHBondContact O-N 2.67Å; E214-R232 IonicContact OE2-NE 2.69Å; E214-M233 CarbonylContact C-O 3.56Å; E214-M233 VanDerWaalsContact CA-O 3.26Å; E214-M233 WeakPolarHBondContact CA-O 3.49Å; E214-K234 HydrophobicContact CG-CG 4.41Å
215	I	88.4	Confident	90.6	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	175.2	48.8	167.6	0	0	0	110.6	I217 R232 M233 K235 F280 F298	I215-I217 HydrophobicContact CD1-CD1 3.92Å; I215-I217 HydrophobicContact CD1-CG1 3.92Å; I215-I217 HydrophobicContact CG1-CD1 4.36Å; I215-I217 HydrophobicContact CG1-CG1 4.26Å; I215-R232 WeakPolarHBondContact O-CA 3.35Å; I215-M233 HydrophobicContact CG1-CB 4.32Å; I215-M233 WeakPolarHBondContact CG1-O 3.39Å; I215-M233 PolarHBondContact N-O 3.07Å; I215-M233 PolarHBondContact O-N 2.85Å; I215-K235 HydrophobicContact CB-CG 4.48Å; I215-K235 HydrophobicContact CD1-CG 4.06Å; I215-K235 HydrophobicContact CG1-CG 4.14Å; I215-K235 HydrophobicContact CG2-CD 4.09Å; I215-K235 HydrophobicContact CG2-CG 3.55Å; I215-F280 HydrophobicContact CD1-CB 3.61Å; I215-F280 HydrophobicContact CD1-CD1 4.35Å; I215-F280 HydrophobicContact CD1-CD2 4.3Å; I215-F280 HydrophobicContact CD1-CG 3.81Å; I215-F298 HydrophobicContact CB-CE1 4.38Å; I215-F298 HydrophobicContact CD1-CE1 4.09Å; I215-F298 HydrophobicContact CD1-CZ 4.36Å; I215-F298 HydrophobicContact CG2-CD1 4.15Å; I215-F298 HydrophobicContact CG2-CE1 3.83Å
216	V	91	Very high	90.2	Very high	87 Å²	87	54.2 Å²	54.2	53%	0.527	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	98.5	174.2	-171.9	0	0	0	0	108.8	T218 Q230 R232	V216-T218 PolarHBondContact O-N 2.97Å; V216-Q230 HydrophobicContact CG1-CB 4.22Å; V216-Q230 HydrophobicContact CG1-CG 4.41Å; V216-R232 HydrophobicContact CG2-CG 4.28Å
217	I	89.6	Confident	90.2	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.046	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.3	178.3	-60	154.9	0	0	0	108.3	I215 V231 M233 F242 F280	I215-I217 HydrophobicContact CD1-CD1 3.92Å; I215-I217 HydrophobicContact CD1-CG1 3.92Å; I215-I217 HydrophobicContact CG1-CD1 4.36Å; I215-I217 HydrophobicContact CG1-CG1 4.26Å; I217-V231 PolarHBondContact N-O 2.64Å; I217-V231 PolarHBondContact O-N 3.36Å; I217-M233 HydrophobicContact CD1-CB 3.79Å; I217-M233 HydrophobicContact CD1-CG 3.74Å; I217-F242 HydrophobicContact CB-CD2 4.39Å; I217-F242 HydrophobicContact CB-CE2 3.9Å; I217-F242 HydrophobicContact CD1-CD2 3.8Å; I217-F242 HydrophobicContact CD1-CE2 4.15Å; I217-F242 HydrophobicContact CG2-CD2 4.23Å; I217-F242 HydrophobicContact CG2-CE2 3.46Å; I217-F242 VanDerWaalsContact CG2-CE2 3.46Å; I217-F242 HydrophobicContact CG2-CZ 3.8Å; I217-F280 HydrophobicContact CD1-CD1 3.93Å; I217-F280 HydrophobicContact CD1-CD2 3.87Å; I217-F280 HydrophobicContact CD1-CE1 3.6Å; I217-F280 HydrophobicContact CD1-CE2 3.56Å; I217-F280 HydrophobicContact CD1-CG 4.07Å; I217-F280 HydrophobicContact CD1-CZ 3.42Å; I217-F280 VanDerWaalsContact CD1-CZ 3.42Å; I217-F280 HydrophobicContact CG1-CD1 4.4Å; I217-F280 HydrophobicContact CG1-CE1 4.2Å; I217-F280 HydrophobicContact CG1-CZ 4.46Å
218	T	91.1	Very high	90.2	Very high	31 Å²	31	56 Å²	56	19%	0.19	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.7	171.3	-52.5	0	0	0	0	110.1	V216 R228 Q230 A319 G320	V216-T218 PolarHBondContact O-N 2.97Å; T218-R228 HydrophobicContact CG2-CG 3.97Å; T218-Q230 HydrophobicContact CG2-CG 3.88Å; T218-Q230 WeakPolarHBondContact OG1-CG 3.38Å; T218-Q230 PolarHBondContact OG1-NE2 2.83Å; T218-Q230 VanDerWaalsContact OG1-NE2 3.09Å; T218-A319 HydrophobicContact CG2-CB 4.15Å; T218-G320 PolarHBondContact O-N 2.79Å
219	Y	92.6	Very high	90.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	167.7	-176.3	75.4	-77.2	0	0	0	110.9	R228 K229 V231 F242 C246 Q249 L250 G320 V322	Y219-R228 CarbonylContact O-C 3.51Å; Y219-R228 WeakPolarHBondContact O-CA 3.26Å; Y219-K229 HydrophobicContact CD1-CB 4.15Å; Y219-K229 VanDerWaalsContact CD1-O 3.29Å; Y219-K229 WeakPolarHBondContact CD1-O 3.34Å; Y219-K229 HydrophobicContact CE1-CB 3.43Å; Y219-K229 VanDerWaalsContact CE1-CB 3.43Å; Y219-K229 HydrophobicContact CE2-CB 4.19Å; Y219-K229 VanDerWaalsContact CZ-CB 3.48Å; Y219-K229 PolarHBondContact N-O 2.93Å; Y219-K229 PolarHBondContact O-N 2.8Å; Y219-K229 VanDerWaalsContact O-O 3.04Å; Y219-V231 HydrophobicContact CD1-CG2 4.28Å; Y219-V231 HydrophobicContact CE1-CB 4.43Å; Y219-V231 HydrophobicContact CE1-CG2 3.51Å; Y219-F242 HydrophobicContact CD1-CE2 4.38Å; Y219-F242 HydrophobicContact CD1-CZ 4.32Å; Y219-F242 HydrophobicContact CG-CZ 4.09Å; Y219-C246 HydrophobicContact CE2-CB 3.86Å; Y219-Q249 PolarHBondContact OH-OE1 3.27Å; Y219-Q249 VanDerWaalsContact OH-OE1 3.08Å; Y219-L250 HydrophobicContact CE2-CD1 4.21Å; Y219-G320 CarbonylContact C-O 3.59Å; Y219-G320 WeakPolarHBondContact CA-O 3.49Å; Y219-G320 VanDerWaalsContact CB-O 3.28Å; Y219-G320 WeakPolarHBondContact CB-O 3.26Å; Y219-V322 HydrophobicContact CD2-CB 4.15Å; Y219-V322 HydrophobicContact CD2-CG2 3.69Å; Y219-V322 HydrophobicContact CE2-CG2 4.49Å; Y219-V322 HydrophobicContact CG-CG2 4.33Å
220	S	92.5	Very high	90.2	Very high	13 Å²	13	58.5 Å²	58.5	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.9	174.7	-174.7	0	0	0	0	109	G226 H227 G320 K321 V322	S220-G226 WeakPolarHBondContact OG-CA 3.42Å; S220-H227 CarbonylContact C-O 3.57Å; S220-H227 WeakPolarHBondContact CA-O 3.13Å; S220-H227 PolarHBondContact OG-N 2.55Å; S220-G320 PolarHBondContact N-O 3.26Å; S220-K321 CarbonylContact O-C 3.51Å; S220-K321 WeakPolarHBondContact O-CA 3.34Å; S220-V322 PolarHBondContact O-N 3.41Å
221	Y	93.6	Very high	90.3	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	134.1	167.4	175.8	-113.8	0	0	0	109	D223 H227 L250 F254 L257 M265 V322	Y221-D223 HydrophobicContact CE1-CB 3.88Å; Y221-D223 VanDerWaalsContact CE1-OD2 3.26Å; Y221-D223 WeakPolarHBondContact CE1-OD2 3.31Å; Y221-H227 PolarHBondContact N-O 3.21Å; Y221-H227 PolarHBondContact O-N 2.88Å; Y221-L250 HydrophobicContact CD1-CD2 4.35Å; Y221-L250 HydrophobicContact CD2-CD1 3.75Å; Y221-L250 HydrophobicContact CG-CD1 3.85Å; Y221-L250 HydrophobicContact CG-CD2 3.97Å; Y221-F254 AromaticContact CD1-CD2 3.99Å; Y221-F254 HydrophobicContact CD1-CD2 3.99Å; Y221-F254 HydrophobicContact CD1-CE1 4.33Å; Y221-F254 AromaticContact CD1-CE2 3.81Å; Y221-F254 HydrophobicContact CD1-CE2 3.81Å; Y221-F254 HydrophobicContact CD1-CG 4.36Å; Y221-F254 HydrophobicContact CD1-CZ 4.01Å; Y221-F254 HydrophobicContact CE1-CD1 4.13Å; Y221-F254 HydrophobicContact CE1-CD2 4.16Å; Y221-F254 HydrophobicContact CE1-CE1 4.29Å; Y221-F254 HydrophobicContact CE1-CE2 4.34Å; Y221-F254 HydrophobicContact CE1-CG 4.09Å; Y221-F254 HydrophobicContact CE1-CZ 4.42Å; Y221-L257 HydrophobicContact CD2-CD1 4.19Å; Y221-L257 HydrophobicContact CE1-CD1 4.2Å; Y221-L257 HydrophobicContact CE2-CD1 3.76Å; Y221-L257 HydrophobicContact CE2-CD2 4.2Å; Y221-L257 HydrophobicContact CE2-CG 4.42Å; Y221-M265 HydrophobicContact CD2-CE 4.12Å; Y221-M265 HydrophobicContact CE2-CE 4.06Å; Y221-V322 CarbonylContact C-O 3.58Å; Y221-V322 WeakPolarHBondContact CA-O 3.37Å; Y221-V322 VanDerWaalsContact CD2-O 3.22Å; Y221-V322 WeakPolarHBondContact CD2-O 3.34Å
222	W	90.6	Very high	90.4	Very high	50 Å²	50	61.1 Å²	61.1	19%	0.189	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.4	-171.2	-171.5	-81.4	0	0	0	111.4	S225 K321 V322 C323 W327 P336	W222-S225 WeakPolarHBondContact CA-O 3.3Å; W222-K321 HydrophobicContact CB-CB 4.45Å; W222-K321 HydrophobicContact CE3-CD 4.46Å; W222-V322 PolarHBondContact N-O 3.08Å; W222-C323 HydrophobicContact CB-CB 4.35Å; W222-C323 VanDerWaalsContact O-CB 3.25Å; W222-C323 WeakPolarHBondContact O-CB 3.46Å; W222-W327 AromaticContact CD1-CH2 3.38Å; W222-W327 AromaticContact CD1-CZ2 3.58Å; W222-W327 AromaticContact CD1-CZ3 3.69Å; W222-W327 AromaticContact NE1-CH2 3.13Å; W222-W327 AromaticContact NE1-CZ2 3.32Å; W222-W327 VanDerWaalsContact NE1-CZ2 3.32Å; W222-W327 AromaticContact NE1-CZ3 3.89Å; W222-P336 HydrophobicContact CZ2-CG 4Å
223	D	87.7	Confident	90.4	Very high	50 Å²	50	56.2 Å²	56.2	27%	0.267	29%	0.289	S	S	.	.	S	Bend	trans	-110.1	-1.9	173.4	50.5	33.1	0	0	0	112.1	Y221 S225 H227 W327	Y221-D223 HydrophobicContact CE1-CB 3.88Å; Y221-D223 VanDerWaalsContact CE1-OD2 3.26Å; Y221-D223 WeakPolarHBondContact CE1-OD2 3.31Å; D223-S225 PolarHBondContact N-O 3.4Å; D223-S225 WeakPolarHBondContact OD1-CA 2.96Å; D223-S225 WeakPolarHBondContact OD1-CB 3.46Å; D223-S225 PolarHBondContact OD1-N 3.27Å; D223-H227 IonicContact OD1-CE1 2.72Å; D223-H227 IonicContact OD1-ND1 2.66Å; D223-H227 IonicContact OD2-CE1 3.67Å; D223-H227 PolarHBondContact OD2-CE1 3Å; D223-H227 VanDerWaalsContact OD2-CE1 3.24Å; D223-H227 IonicContact OD2-ND1 3.97Å; D223-H227 PolarHBondContact OD2-ND1 2.76Å; D223-W327 PolarHBondContact O-NE1 3.01Å
224	G	83.8	Confident	90.6	Very high	52 Å²	52	55 Å²	55	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	126.3	-33.1	-165.4	0	0	0	0	0	110.9
225	S	86.1	Confident	90.6	Very high	59 Å²	59	50 Å²	50	41%	0.413	26%	0.259	S	S	.	.	S	Bend	trans	-96.6	159.1	160.7	-179.4	0	0	0	0	110.4	W222 D223 H227	W222-S225 WeakPolarHBondContact CA-O 3.3Å; D223-S225 PolarHBondContact N-O 3.4Å; D223-S225 WeakPolarHBondContact OD1-CA 2.96Å; D223-S225 WeakPolarHBondContact OD1-CB 3.46Å; D223-S225 PolarHBondContact OD1-N 3.27Å; S225-H227 VanDerWaalsContact CB-CE1 3.47Å; S225-H227 WeakPolarHBondContact CB-CE1 3.38Å; S225-H227 PolarHBondContact OG-CE1 3.37Å; S225-H227 PolarHBondContact OG-NE2 3.05Å
226	G	85.8	Confident	90.8	Very high	39 Å²	39	50.5 Å²	50.5	40%	0.402	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	93.2	-178	0	0	0	0	0	112.7	S220 R228	S220-G226 WeakPolarHBondContact OG-CA 3.42Å; G226-R228 PolarHBondContact O-N 2.86Å
227	H	89.5	Confident	91	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.292	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	93.5	-175.7	-58.7	109	0	0	0	111.5	S220 Y221 D223 S225 F254	S220-H227 CarbonylContact C-O 3.57Å; S220-H227 WeakPolarHBondContact CA-O 3.13Å; S220-H227 PolarHBondContact OG-N 2.55Å; Y221-H227 PolarHBondContact N-O 3.21Å; Y221-H227 PolarHBondContact O-N 2.88Å; D223-H227 IonicContact OD1-CE1 2.72Å; D223-H227 IonicContact OD1-ND1 2.66Å; D223-H227 IonicContact OD2-CE1 3.67Å; D223-H227 PolarHBondContact OD2-CE1 3Å; D223-H227 VanDerWaalsContact OD2-CE1 3.24Å; D223-H227 IonicContact OD2-ND1 3.97Å; D223-H227 PolarHBondContact OD2-ND1 2.76Å; S225-H227 VanDerWaalsContact CB-CE1 3.47Å; S225-H227 WeakPolarHBondContact CB-CE1 3.38Å; S225-H227 PolarHBondContact OG-CE1 3.37Å; S225-H227 PolarHBondContact OG-NE2 3.05Å; H227-F254 HydrophobicContact CB-CE2 4.42Å; H227-F254 HydrophobicContact CB-CZ 4.08Å; H227-F254 AromaticContact CD2-CZ 3.91Å; H227-F254 AromaticContact CE1-CE1 3.69Å; H227-F254 AromaticContact CE1-CZ 3.65Å; H227-F254 AromaticContact CG-CZ 3.54Å; H227-F254 AromaticContact ND1-CE1 3.81Å; H227-F254 AromaticContact ND1-CZ 3.39Å; H227-F254 WeakPolarHBondContact ND1-CZ 3.41Å; H227-F254 AromaticContact NE2-CZ 4Å
228	R	91.1	Very high	91.3	Very high	136 Å²	136	50.3 Å²	50.3	51%	0.513	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.5	-174.9	-168.2	174.5	179.1	166.4	3.9	112.5	T218 Y219 G226 E316	T218-R228 HydrophobicContact CG2-CG 3.97Å; Y219-R228 CarbonylContact O-C 3.51Å; Y219-R228 WeakPolarHBondContact O-CA 3.26Å; G226-R228 PolarHBondContact O-N 2.86Å; R228-E316 IonicContact CZ-OE1 3.38Å; R228-E316 IonicContact NH1-OE1 2.76Å; R228-E316 PolarHBondContact NH1-OE1 3.03Å; R228-E316 IonicContact NH2-OE1 3.7Å; R228-E316 PolarHBondContact NH2-OE1 2.9Å
229	K	91.6	Very high	91.5	Very high	44 Å²	44	48.8 Å²	48.8	19%	0.191	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	167.7	176.6	-72.9	-161.1	-179.5	-157.5	0	111.4	Y219 Q249 L250 D253	Y219-K229 HydrophobicContact CD1-CB 4.15Å; Y219-K229 VanDerWaalsContact CD1-O 3.29Å; Y219-K229 WeakPolarHBondContact CD1-O 3.34Å; Y219-K229 HydrophobicContact CE1-CB 3.43Å; Y219-K229 VanDerWaalsContact CE1-CB 3.43Å; Y219-K229 HydrophobicContact CE2-CB 4.19Å; Y219-K229 VanDerWaalsContact CZ-CB 3.48Å; Y219-K229 PolarHBondContact N-O 2.93Å; Y219-K229 PolarHBondContact O-N 2.8Å; Y219-K229 VanDerWaalsContact O-O 3.04Å; K229-Q249 PolarHBondContact NZ-O 3.13Å; K229-L250 HydrophobicContact CD-CD2 4.04Å; K229-D253 WeakPolarHBondContact CE-OD2 3.21Å; K229-D253 IonicContact NZ-OD1 3.77Å; K229-D253 PolarHBondContact NZ-OD1 3.48Å; K229-D253 IonicContact NZ-OD2 3.37Å; K229-D253 PolarHBondContact NZ-OD2 3.43Å
230	Q	92.3	Very high	91.6	Very high	115 Å²	115	52 Å²	52	54%	0.537	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.5	177.7	-70.1	-174.9	-23.1	0	0	111.4	V216 T218 Q249	V216-Q230 HydrophobicContact CG1-CB 4.22Å; V216-Q230 HydrophobicContact CG1-CG 4.41Å; T218-Q230 HydrophobicContact CG2-CG 3.88Å; T218-Q230 WeakPolarHBondContact OG1-CG 3.38Å; T218-Q230 PolarHBondContact OG1-NE2 2.83Å; T218-Q230 VanDerWaalsContact OG1-NE2 3.09Å; Q230-Q249 PolarHBondContact O-NE2 2.82Å; Q230-Q249 PolarHBondContact O-OE1 3.22Å
231	V	92.4	Very high	91.7	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.6	175.9	173.9	0	0	0	0	108.9	I217 Y219 M233 F242 R245 Q249	I217-V231 PolarHBondContact N-O 2.64Å; I217-V231 PolarHBondContact O-N 3.36Å; Y219-V231 HydrophobicContact CD1-CG2 4.28Å; Y219-V231 HydrophobicContact CE1-CB 4.43Å; Y219-V231 HydrophobicContact CE1-CG2 3.51Å; V231-M233 HydrophobicContact CG1-CE 3.37Å; V231-M233 HydrophobicContact CG1-CG 4.08Å; V231-F242 HydrophobicContact CB-CE2 4.47Å; V231-R245 HydrophobicContact CG1-CB 4.2Å; V231-Q249 VanDerWaalsContact CG2-CD 3.46Å; V231-Q249 HydrophobicContact CG2-CG 4.5Å; V231-Q249 VanDerWaalsContact CG2-OE1 3.3Å
232	R	93.8	Very high	91.8	Very high	184 Å²	184	54.2 Å²	54.2	69%	0.694	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	133.4	167.4	-62	-160.3	-66.3	-93	3.1	109.9	E214 I215 V216	E214-R232 IonicContact OE2-NE 2.69Å; I215-R232 WeakPolarHBondContact O-CA 3.35Å; V216-R232 HydrophobicContact CG2-CG 4.28Å
233	M	93.1	Very high	92	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.3	179	-75.8	-68.7	161.6	0	0	109.1	E214 I215 I217 V231 H237 F242 R245	E214-M233 CarbonylContact C-O 3.56Å; E214-M233 VanDerWaalsContact CA-O 3.26Å; E214-M233 WeakPolarHBondContact CA-O 3.49Å; I215-M233 HydrophobicContact CG1-CB 4.32Å; I215-M233 WeakPolarHBondContact CG1-O 3.39Å; I215-M233 PolarHBondContact N-O 3.07Å; I215-M233 PolarHBondContact O-N 2.85Å; I217-M233 HydrophobicContact CD1-CB 3.79Å; I217-M233 HydrophobicContact CD1-CG 3.74Å; V231-M233 HydrophobicContact CG1-CE 3.37Å; V231-M233 HydrophobicContact CG1-CG 4.08Å; M233-H237 HydrophobicContact SD-CB 4.1Å; M233-H237 PolarHBondContact SD-CD2 3.16Å; M233-F242 HydrophobicContact CE-CB 4.24Å; M233-F242 HydrophobicContact CE-CD2 4.37Å; M233-F242 HydrophobicContact CG-CD2 4.29Å; M233-R245 HydrophobicContact CE-CB 3.43Å; M233-R245 VanDerWaalsContact CE-CB 3.43Å; M233-R245 HydrophobicContact CE-CG 3.29Å
234	K	94.3	Very high	92.3	Very high	59 Å²	59	53 Å²	53	26%	0.257	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.7	162.3	-40.8	-174.1	-168.1	-175.9	0	109.9	K211 E212 E213 E214 G236 H237	K211-K234 WeakPolarHBondContact O-CB 3.44Å; E212-K234 WeakPolarHBondContact O-CD 3.35Å; E212-K234 IonicContact OE1-NZ 3.75Å; E212-K234 PolarHBondContact OE1-NZ 3.4Å; E212-K234 WeakPolarHBondContact OE2-CD 3.46Å; E212-K234 IonicContact OE2-NZ 3.32Å; E212-K234 PolarHBondContact OE2-NZ 3.25Å; E213-K234 CarbonylContact O-C 3.59Å; E213-K234 VanDerWaalsContact O-CA 3.32Å; E213-K234 WeakPolarHBondContact O-CA 3.31Å; E214-K234 HydrophobicContact CG-CG 4.41Å; K234-G236 PolarHBondContact O-N 3.48Å; K234-G236 VanDerWaalsContact O-N 3.09Å; K234-H237 WeakPolarHBondContact O-CB 3.43Å; K234-H237 PolarHBondContact O-N 3.21Å; K234-H237 PolarHBondContact O-ND1 3.33Å
235	K	92.1	Very high	92.7	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.1	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34	-177.1	-72.2	171.3	176.5	177.3	0	113.4	I210 K211 E213 I215 H237 F280 Y281 I284	I210-K235 HydrophobicContact CG2-CD 4.33Å; I210-K235 VanDerWaalsContact O-CB 3.26Å; I210-K235 WeakPolarHBondContact O-CB 3.5Å; I210-K235 VanDerWaalsContact O-CD 3.27Å; I210-K235 WeakPolarHBondContact O-CD 3.47Å; K211-K235 PolarHBondContact O-N 3.35Å; E213-K235 HydrophobicContact CB-CD 3.92Å; E213-K235 PolarHBondContact O-N 3.28Å; E213-K235 IonicContact OE2-NZ 2.64Å; E213-K235 PolarHBondContact OE2-NZ 2.78Å; I215-K235 HydrophobicContact CB-CG 4.48Å; I215-K235 HydrophobicContact CD1-CG 4.06Å; I215-K235 HydrophobicContact CG1-CG 4.14Å; I215-K235 HydrophobicContact CG2-CD 4.09Å; I215-K235 HydrophobicContact CG2-CG 3.55Å; K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.85Å; K235-F280 CarbonylContact O-C 3.42Å; K235-F280 WeakPolarHBondContact O-CB 3.35Å; K235-F280 PolarHBondContact O-N 2.89Å; K235-Y281 WeakPolarHBondContact O-CB 3.07Å; K235-Y281 PolarHBondContact O-N 2.93Å; K235-I284 HydrophobicContact CB-CD1 4.15Å; K235-I284 HydrophobicContact CD-CD1 3.47Å; K235-I284 VanDerWaalsContact CD-CD1 3.47Å; K235-I284 HydrophobicContact CG-CD1 3.68Å
236	G	92.4	Very high	93.1	Very high	26 Å²	26	53.4 Å²	53.4	27%	0.268	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-0.1	177.3	0	0	0	0	0	116.1	K211 K234 T279	K211-G236 PolarHBondContact O-N 3.1Å; K234-G236 PolarHBondContact O-N 3.48Å; K234-G236 VanDerWaalsContact O-N 3.09Å; G236-T279 WeakPolarHBondContact O-CG2 3.47Å
237	H	95	Very high	93.4	Very high	54 Å²	54	51.7 Å²	51.7	25%	0.25	23%	0.234	C	C	.	.			trans	-72.6	140.8	174.6	-72.1	35.1	0	0	0	110.9	M233 K234 K235 L241 T279 F280	M233-H237 HydrophobicContact SD-CB 4.1Å; M233-H237 PolarHBondContact SD-CD2 3.16Å; K234-H237 WeakPolarHBondContact O-CB 3.43Å; K234-H237 PolarHBondContact O-N 3.21Å; K234-H237 PolarHBondContact O-ND1 3.33Å; K235-H237 VanDerWaalsContact C-N 3.29Å; K235-H237 PolarHBondContact O-N 2.85Å; H237-L241 HydrophobicContact CB-CD2 4.36Å; H237-L241 WeakPolarHBondContact CD2-CD2 3.47Å; H237-T279 VanDerWaalsContact O-CA 3.31Å; H237-T279 WeakPolarHBondContact O-CA 3.47Å; H237-T279 WeakPolarHBondContact O-CB 3.37Å; H237-F280 WeakPolarHBondContact O-CD2 3.32Å; H237-F280 PolarHBondContact O-N 3.49Å
238	S	95.3	Very high	93.4	Very high	38 Å²	38	52 Å²	52	27%	0.266	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-74.9	156.2	174	63.8	0	0	0	0	111.9	H240 L241 F242 Y278	S238-H240 PolarHBondContact O-N 3.42Å; S238-L241 PolarHBondContact O-N 3.39Å; S238-L241 PolarHBondContact OG-N 3.1Å; S238-F242 PolarHBondContact O-N 3.38Å; S238-Y278 WeakPolarHBondContact CA-O 3.22Å
239	I	94.7	Very high	93.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-31.6	176.7	-74	169.7	0	0	0	111.5	L241 F242 L243 Y267 I274 Y278 F280 F283	I239-L241 PolarHBondContact O-N 2.72Å; I239-F242 PolarHBondContact O-N 2.72Å; I239-L243 HydrophobicContact CG2-CD1 4.08Å; I239-L243 HydrophobicContact CG2-CG 4.27Å; I239-L243 WeakPolarHBondContact O-CB 3.28Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 2.66Å; I239-Y267 HydrophobicContact CD1-CD1 4.18Å; I239-Y267 HydrophobicContact CG2-CD1 4.37Å; I239-Y267 HydrophobicContact CG2-CG 4.47Å; I239-I274 HydrophobicContact CD1-CB 3.9Å; I239-I274 HydrophobicContact CD1-CD1 4.49Å; I239-I274 HydrophobicContact CD1-CG2 3.3Å; I239-Y278 PolarHBondContact N-O 2.75Å; I239-F280 HydrophobicContact CG1-CE1 4.27Å; I239-F280 HydrophobicContact CG1-CE2 4.13Å; I239-F280 HydrophobicContact CG1-CZ 3.79Å; I239-F283 HydrophobicContact CD1-CE2 3.78Å; I239-F283 HydrophobicContact CD1-CZ 4.34Å
240	H	95.6	Very high	93.4	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-54.9	-48.7	168.6	178.9	97.4	0	0	0	112.1	S238 F242 L243 H244 D263 H276	S238-H240 PolarHBondContact O-N 3.42Å; H240-F242 PolarHBondContact O-N 2.67Å; H240-L243 PolarHBondContact O-N 3.5Å; H240-H244 PolarHBondContact O-N 2.88Å; H240-D263 IonicContact CE1-OD1 3.63Å; H240-D263 PolarHBondContact CE1-OD1 3.23Å; H240-D263 IonicContact CE1-OD2 2.94Å; H240-D263 IonicContact ND1-OD1 3.97Å; H240-D263 PolarHBondContact ND1-OD1 3.39Å; H240-H276 HydrophobicContact CB-CB 4.15Å; H240-H276 PolarHBondContact N-O 2.85Å
241	L	95.1	Very high	93.2	Very high	65 Å²	65	46.2 Å²	46.2	34%	0.34	21%	0.21	S	C	.	.	H	α-helix	trans	-69.7	-33.7	-178.9	-177.8	55.4	0	0	0	112.1	H237 S238 I239 H244 R245	H237-L241 HydrophobicContact CB-CD2 4.36Å; H237-L241 WeakPolarHBondContact CD2-CD2 3.47Å; S238-L241 PolarHBondContact O-N 3.39Å; S238-L241 PolarHBondContact OG-N 3.1Å; I239-L241 PolarHBondContact O-N 2.72Å; L241-H244 PolarHBondContact O-N 3.08Å; L241-R245 PolarHBondContact O-N 3.22Å
242	F	95.2	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-47.3	169.1	161.9	-97.8	0	0	0	112.3	I217 Y219 V231 M233 S238 I239 H240 H244 R245 C246 Y267 F280 V322	I217-F242 HydrophobicContact CB-CD2 4.39Å; I217-F242 HydrophobicContact CB-CE2 3.9Å; I217-F242 HydrophobicContact CD1-CD2 3.8Å; I217-F242 HydrophobicContact CD1-CE2 4.15Å; I217-F242 HydrophobicContact CG2-CD2 4.23Å; I217-F242 HydrophobicContact CG2-CE2 3.46Å; I217-F242 VanDerWaalsContact CG2-CE2 3.46Å; I217-F242 HydrophobicContact CG2-CZ 3.8Å; Y219-F242 HydrophobicContact CD1-CE2 4.38Å; Y219-F242 HydrophobicContact CD1-CZ 4.32Å; Y219-F242 HydrophobicContact CG-CZ 4.09Å; V231-F242 HydrophobicContact CB-CE2 4.47Å; M233-F242 HydrophobicContact CE-CB 4.24Å; M233-F242 HydrophobicContact CE-CD2 4.37Å; M233-F242 HydrophobicContact CG-CD2 4.29Å; S238-F242 PolarHBondContact O-N 3.38Å; I239-F242 PolarHBondContact O-N 2.72Å; H240-F242 PolarHBondContact O-N 2.67Å; F242-H244 VanDerWaalsContact C-N 3.31Å; F242-H244 PolarHBondContact O-N 2.78Å; F242-R245 PolarHBondContact O-N 3.41Å; F242-C246 WeakPolarHBondContact CE2-SG 3.42Å; F242-C246 WeakPolarHBondContact CZ-SG 3.42Å; F242-C246 PolarHBondContact O-N 3.48Å; F242-C246 PolarHBondContact O-SG 3.2Å; F242-Y267 AromaticContact CE1-CD2 3.66Å; F242-Y267 HydrophobicContact CE1-CD2 3.66Å; F242-Y267 AromaticContact CE1-CE2 3.75Å; F242-Y267 HydrophobicContact CE1-CE2 3.75Å; F242-Y267 HydrophobicContact CE1-CG 4.16Å; F242-Y267 HydrophobicContact CZ-CD2 4.34Å; F242-Y267 HydrophobicContact CZ-CE2 4.03Å; F242-F280 HydrophobicContact CB-CE2 3.73Å; F242-F280 HydrophobicContact CB-CZ 3.81Å; F242-F280 AromaticContact CD1-CZ 3.99Å; F242-F280 HydrophobicContact CD1-CZ 3.99Å; F242-F280 HydrophobicContact CD2-CZ 4.12Å; F242-F280 HydrophobicContact CG-CE2 4.12Å; F242-F280 AromaticContact CG-CZ 3.7Å; F242-F280 HydrophobicContact CG-CZ 3.7Å; F242-V322 HydrophobicContact CE1-CG2 4.19Å; F242-V322 HydrophobicContact CZ-CG2 4.44Å
243	L	95	Very high	92.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-37.1	176.4	-72.3	174.6	0	0	0	111.8	I239 H240 C246 V247 A262 M265 V322	I239-L243 HydrophobicContact CG2-CD1 4.08Å; I239-L243 HydrophobicContact CG2-CG 4.27Å; I239-L243 WeakPolarHBondContact O-CB 3.28Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.45Å; I239-L243 PolarHBondContact O-N 2.66Å; H240-L243 PolarHBondContact O-N 3.5Å; L243-C246 WeakPolarHBondContact O-CB 3.27Å; L243-C246 PolarHBondContact O-N 3.05Å; L243-V247 WeakPolarHBondContact O-CG2 3.27Å; L243-V247 PolarHBondContact O-N 2.82Å; L243-A262 HydrophobicContact CB-CB 4.32Å; L243-M265 HydrophobicContact CB-CB 4.41Å; L243-M265 HydrophobicContact CD1-CB 4.15Å; L243-M265 HydrophobicContact CD2-CB 3.94Å; L243-M265 HydrophobicContact CG-CB 4.4Å; L243-V322 HydrophobicContact CD2-CG1 3.79Å; L243-V322 HydrophobicContact CD2-CG2 4.1Å
244	H	94	Very high	92.4	Very high	73 Å²	73	52 Å²	52	34%	0.338	24%	0.244	S	C	.	.	H	α-helix	trans	-58.3	-49.4	173.5	-169.6	-81.9	0	0	0	112.1	H240 L241 F242 C246 V247 E248 A262	H240-H244 PolarHBondContact O-N 2.88Å; L241-H244 PolarHBondContact O-N 3.08Å; F242-H244 VanDerWaalsContact C-N 3.31Å; F242-H244 PolarHBondContact O-N 2.78Å; H244-C246 VanDerWaalsContact C-N 3.34Å; H244-C246 PolarHBondContact O-N 3.19Å; H244-V247 PolarHBondContact O-N 3.35Å; H244-E248 IonicContact CE1-OE1 3.12Å; H244-E248 PolarHBondContact CE1-OE1 3.29Å; H244-E248 IonicContact ND1-OE1 3.31Å; H244-E248 PolarHBondContact ND1-OE1 3.23Å; H244-E248 PolarHBondContact O-N 2.64Å; H244-A262 HydrophobicContact CB-CB 4.17Å
245	R	93	Very high	91.8	Very high	121 Å²	121	54 Å²	54	46%	0.457	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-33.7	176.3	-64.7	-54.9	-161	-179.6	1.8	112.9	V231 M233 L241 F242 E248 Q249	V231-R245 HydrophobicContact CG1-CB 4.2Å; M233-R245 HydrophobicContact CE-CB 3.43Å; M233-R245 VanDerWaalsContact CE-CB 3.43Å; M233-R245 HydrophobicContact CE-CG 3.29Å; L241-R245 PolarHBondContact O-N 3.22Å; F242-R245 PolarHBondContact O-N 3.41Å; R245-E248 WeakPolarHBondContact CD-OE2 3.26Å; R245-E248 IonicContact CZ-OE2 3.28Å; R245-E248 IonicContact NE-OE2 2.64Å; R245-E248 IonicContact NH1-OE1 2.68Å; R245-E248 PolarHBondContact NH1-OE1 3.36Å; R245-E248 IonicContact NH1-OE2 3.05Å; R245-E248 PolarHBondContact NH1-OE2 2.68Å; R245-E248 PolarHBondContact O-N 3.37Å; R245-Q249 WeakPolarHBondContact O-CG 3.36Å; R245-Q249 PolarHBondContact O-N 2.77Å
246	C	92.6	Very high	91.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-45.8	172.1	-65.6	0	0	0	0	110.9	Y219 F242 L243 H244 E248 Q249 L250	Y219-C246 HydrophobicContact CE2-CB 3.86Å; F242-C246 WeakPolarHBondContact CE2-SG 3.42Å; F242-C246 WeakPolarHBondContact CZ-SG 3.42Å; F242-C246 PolarHBondContact O-N 3.48Å; F242-C246 PolarHBondContact O-SG 3.2Å; L243-C246 WeakPolarHBondContact O-CB 3.27Å; L243-C246 PolarHBondContact O-N 3.05Å; H244-C246 VanDerWaalsContact C-N 3.34Å; H244-C246 PolarHBondContact O-N 3.19Å; C246-E248 PolarHBondContact O-N 2.76Å; C246-Q249 PolarHBondContact O-N 2.95Å; C246-L250 HydrophobicContact CB-CD1 4.49Å; C246-L250 WeakPolarHBondContact O-CB 2.94Å; C246-L250 WeakPolarHBondContact O-CD1 3.14Å; C246-L250 WeakPolarHBondContact O-CG 3.07Å; C246-L250 PolarHBondContact O-N 2.75Å
247	V	92.3	Very high	90.8	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-43.4	175.7	170.8	0	0	0	0	111.3	L243 H244 Q249 L250 R251 M265	L243-V247 WeakPolarHBondContact O-CG2 3.27Å; L243-V247 PolarHBondContact O-N 2.82Å; H244-V247 PolarHBondContact O-N 3.35Å; V247-Q249 VanDerWaalsContact C-N 3.31Å; V247-Q249 PolarHBondContact O-N 2.95Å; V247-L250 PolarHBondContact O-N 2.72Å; V247-R251 HydrophobicContact CG1-CG 4.1Å; V247-R251 VanDerWaalsContact CG1-CZ 3.46Å; V247-R251 VanDerWaalsContact CG1-NE 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.25Å; V247-R251 VanDerWaalsContact O-CG 3.22Å; V247-R251 WeakPolarHBondContact O-CG 3.19Å; V247-R251 PolarHBondContact O-N 3.05Å; V247-M265 HydrophobicContact CG2-CE 3.82Å; V247-M265 HydrophobicContact CG2-CG 3.55Å; V247-M265 HydrophobicContact CG2-SD 4.25Å
248	E	90.9	Very high	90.2	Very high	71 Å²	71	64.1 Å²	64.1	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-40.2	173.4	-72.1	176.8	167.5	0	0	113.1	H244 R245 C246	H244-E248 IonicContact CE1-OE1 3.12Å; H244-E248 PolarHBondContact CE1-OE1 3.29Å; H244-E248 IonicContact ND1-OE1 3.31Å; H244-E248 PolarHBondContact ND1-OE1 3.23Å; H244-E248 PolarHBondContact O-N 2.64Å; R245-E248 WeakPolarHBondContact CD-OE2 3.26Å; R245-E248 IonicContact CZ-OE2 3.28Å; R245-E248 IonicContact NE-OE2 2.64Å; R245-E248 IonicContact NH1-OE1 2.68Å; R245-E248 PolarHBondContact NH1-OE1 3.36Å; R245-E248 IonicContact NH1-OE2 3.05Å; R245-E248 PolarHBondContact NH1-OE2 2.68Å; R245-E248 PolarHBondContact O-N 3.37Å; C246-E248 PolarHBondContact O-N 2.76Å
249	Q	91	Very high	89.6	Confident	66 Å²	66	67.7 Å²	67.7	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-75.8	-28	176.7	-74.4	-168.5	-2.6	0	0	114.1	Y219 K229 Q230 V231 R245 C246 V247	Y219-Q249 PolarHBondContact OH-OE1 3.27Å; Y219-Q249 VanDerWaalsContact OH-OE1 3.08Å; K229-Q249 PolarHBondContact NZ-O 3.13Å; Q230-Q249 PolarHBondContact O-NE2 2.82Å; Q230-Q249 PolarHBondContact O-OE1 3.22Å; V231-Q249 VanDerWaalsContact CG2-CD 3.46Å; V231-Q249 HydrophobicContact CG2-CG 4.5Å; V231-Q249 VanDerWaalsContact CG2-OE1 3.3Å; R245-Q249 WeakPolarHBondContact O-CG 3.36Å; R245-Q249 PolarHBondContact O-N 2.77Å; C246-Q249 PolarHBondContact O-N 2.95Å; V247-Q249 VanDerWaalsContact C-N 3.31Å; V247-Q249 PolarHBondContact O-N 2.95Å
250	L	90.8	Very high	89.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-89.1	-28	-177	-69	166.9	0	0	0	112.8	Y219 Y221 K229 C246 V247 K252 D253 F254 L257 M265	Y219-L250 HydrophobicContact CE2-CD1 4.21Å; Y221-L250 HydrophobicContact CD1-CD2 4.35Å; Y221-L250 HydrophobicContact CD2-CD1 3.75Å; Y221-L250 HydrophobicContact CG-CD1 3.85Å; Y221-L250 HydrophobicContact CG-CD2 3.97Å; K229-L250 HydrophobicContact CD-CD2 4.04Å; C246-L250 HydrophobicContact CB-CD1 4.49Å; C246-L250 WeakPolarHBondContact O-CB 2.94Å; C246-L250 WeakPolarHBondContact O-CD1 3.14Å; C246-L250 WeakPolarHBondContact O-CG 3.07Å; C246-L250 PolarHBondContact O-N 2.75Å; V247-L250 PolarHBondContact O-N 2.72Å; L250-K252 PolarHBondContact O-N 3.2Å; L250-D253 PolarHBondContact O-N 3.18Å; L250-F254 HydrophobicContact CB-CD2 4.31Å; L250-F254 HydrophobicContact CD2-CD2 3.95Å; L250-F254 HydrophobicContact CD2-CE2 3.86Å; L250-F254 PolarHBondContact O-N 3.13Å; L250-L257 HydrophobicContact CB-CD1 3.47Å; L250-L257 VanDerWaalsContact CB-CD1 3.47Å; L250-L257 HydrophobicContact CD1-CD1 3.84Å; L250-L257 HydrophobicContact CG-CD1 4.23Å; L250-M265 HydrophobicContact CD1-CE 3.97Å
251	R	89.3	Confident	89	Confident	107 Å²	107	67.4 Å²	67.4	40%	0.404	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.3	174.1	-82	174.3	180	162.2	4.5	114.8	V247 L257 A260	V247-R251 HydrophobicContact CG1-CG 4.1Å; V247-R251 VanDerWaalsContact CG1-CZ 3.46Å; V247-R251 VanDerWaalsContact CG1-NE 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.25Å; V247-R251 VanDerWaalsContact O-CG 3.22Å; V247-R251 WeakPolarHBondContact O-CG 3.19Å; V247-R251 PolarHBondContact O-N 3.05Å; R251-L257 HydrophobicContact CG-CB 4.44Å; R251-L257 WeakPolarHBondContact CG-O 3.5Å; R251-L257 PolarHBondContact NE-O 3Å; R251-A260 PolarHBondContact NH2-O 3.36Å
252	K	88.2	Confident	88.8	Confident	183 Å²	183	64.4 Å²	64.4	80%	0.796	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-29	174.2	-66.1	-176.8	178.8	-175.3	0	113.1	L250	L250-K252 PolarHBondContact O-N 3.2Å
253	D	88.3	Confident	88.7	Confident	96 Å²	96	68.2 Å²	68.2	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-39.3	-171.7	-53.8	31	0	0	0	110.4	K229 L250	K229-D253 WeakPolarHBondContact CE-OD2 3.21Å; K229-D253 IonicContact NZ-OD1 3.77Å; K229-D253 PolarHBondContact NZ-OD1 3.48Å; K229-D253 IonicContact NZ-OD2 3.37Å; K229-D253 PolarHBondContact NZ-OD2 3.43Å; L250-D253 PolarHBondContact O-N 3.18Å
254	F	85	Confident	88.6	Confident	41 Å²	41	72.9 Å²	72.9	18%	0.18	36%	0.361	C	S	.	.			trans	-117.2	109.8	-174.1	-55.8	-81.5	0	0	0	110.8	Y221 H227 L250 E256 L257	Y221-F254 AromaticContact CD1-CD2 3.99Å; Y221-F254 HydrophobicContact CD1-CD2 3.99Å; Y221-F254 HydrophobicContact CD1-CE1 4.33Å; Y221-F254 AromaticContact CD1-CE2 3.81Å; Y221-F254 HydrophobicContact CD1-CE2 3.81Å; Y221-F254 HydrophobicContact CD1-CG 4.36Å; Y221-F254 HydrophobicContact CD1-CZ 4.01Å; Y221-F254 HydrophobicContact CE1-CD1 4.13Å; Y221-F254 HydrophobicContact CE1-CD2 4.16Å; Y221-F254 HydrophobicContact CE1-CE1 4.29Å; Y221-F254 HydrophobicContact CE1-CE2 4.34Å; Y221-F254 HydrophobicContact CE1-CG 4.09Å; Y221-F254 HydrophobicContact CE1-CZ 4.42Å; H227-F254 HydrophobicContact CB-CE2 4.42Å; H227-F254 HydrophobicContact CB-CZ 4.08Å; H227-F254 AromaticContact CD2-CZ 3.91Å; H227-F254 AromaticContact CE1-CE1 3.69Å; H227-F254 AromaticContact CE1-CZ 3.65Å; H227-F254 AromaticContact CG-CZ 3.54Å; H227-F254 AromaticContact ND1-CE1 3.81Å; H227-F254 AromaticContact ND1-CZ 3.39Å; H227-F254 WeakPolarHBondContact ND1-CZ 3.41Å; H227-F254 AromaticContact NE2-CZ 4Å; L250-F254 HydrophobicContact CB-CD2 4.31Å; L250-F254 HydrophobicContact CD2-CD2 3.95Å; L250-F254 HydrophobicContact CD2-CE2 3.86Å; L250-F254 PolarHBondContact O-N 3.13Å; F254-E256 VanDerWaalsContact C-N 3.27Å; F254-E256 PolarHBondContact O-N 2.87Å; F254-L257 HydrophobicContact CB-CD1 4.12Å; F254-L257 HydrophobicContact CB-CG 4.37Å; F254-L257 HydrophobicContact CD2-CD1 4.49Å; F254-L257 PolarHBondContact O-N 2.93Å
255	S	81.2	Confident	88.6	Confident	102 Å²	102	69.4 Å²	69.4	71%	0.713	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63.7	-30.1	177.8	53.8	0	0	0	0	113.1	L257 K258	S255-L257 VanDerWaalsContact C-N 3.26Å; S255-L257 PolarHBondContact O-N 3.3Å; S255-K258 WeakPolarHBondContact O-CB 3.35Å; S255-K258 PolarHBondContact O-N 3.27Å
256	E	81.2	Confident	88.6	Confident	148 Å²	148	64 Å²	64	69%	0.692	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-58.3	-37.1	177.3	-58.2	-171.5	174.8	0	0	112.5	F254 K258	F254-E256 VanDerWaalsContact C-N 3.27Å; F254-E256 PolarHBondContact O-N 2.87Å; E256-K258 PolarHBondContact O-N 3.46Å
257	L	83.9	Confident	88.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-76.3	-1.7	179	-68.4	173.3	0	0	0	113.7	Y221 L250 R251 F254 S255 S259 A260 M265 L324	Y221-L257 HydrophobicContact CD2-CD1 4.19Å; Y221-L257 HydrophobicContact CE1-CD1 4.2Å; Y221-L257 HydrophobicContact CE2-CD1 3.76Å; Y221-L257 HydrophobicContact CE2-CD2 4.2Å; Y221-L257 HydrophobicContact CE2-CG 4.42Å; L250-L257 HydrophobicContact CB-CD1 3.47Å; L250-L257 VanDerWaalsContact CB-CD1 3.47Å; L250-L257 HydrophobicContact CD1-CD1 3.84Å; L250-L257 HydrophobicContact CG-CD1 4.23Å; R251-L257 HydrophobicContact CG-CB 4.44Å; R251-L257 WeakPolarHBondContact CG-O 3.5Å; R251-L257 PolarHBondContact NE-O 3Å; F254-L257 HydrophobicContact CB-CD1 4.12Å; F254-L257 HydrophobicContact CB-CG 4.37Å; F254-L257 HydrophobicContact CD2-CD1 4.49Å; F254-L257 PolarHBondContact O-N 2.93Å; S255-L257 VanDerWaalsContact C-N 3.26Å; S255-L257 PolarHBondContact O-N 3.3Å; L257-S259 VanDerWaalsContact C-N 3.28Å; L257-S259 PolarHBondContact O-N 3.27Å; L257-A260 HydrophobicContact CD2-CB 3.86Å; L257-A260 PolarHBondContact O-N 2.85Å; L257-M265 HydrophobicContact CD1-CE 4.17Å; L257-M265 HydrophobicContact CD2-CE 3.78Å; L257-M265 HydrophobicContact CD2-SD 3.78Å; L257-L324 HydrophobicContact CD2-CD1 3.94Å; L257-L324 HydrophobicContact CD2-CD2 3.88Å; L257-L324 HydrophobicContact CD2-CG 3.92Å
258	K	80.5	Confident	88.7	Confident	167 Å²	167	64.2 Å²	64.2	73%	0.726	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63.7	-33.1	175	-169.1	174.1	-178.2	178.6	0	112.4	S255 E256	S255-K258 WeakPolarHBondContact O-CB 3.35Å; S255-K258 PolarHBondContact O-N 3.27Å; E256-K258 PolarHBondContact O-N 3.46Å
259	S	83.8	Confident	88.7	Confident	112 Å²	112	61.2 Å²	61.2	78%	0.783	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-90	-7.5	175.4	-165.5	0	0	0	0	113.9	L257	L257-S259 VanDerWaalsContact C-N 3.28Å; L257-S259 PolarHBondContact O-N 3.27Å
260	A	87.2	Confident	88.5	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.041	30%	0.301	C	S	.	.			trans	-81.8	138.5	-173.1	0	0	0	0	0	112.5	R251 L257 L324	R251-A260 PolarHBondContact NH2-O 3.36Å; L257-A260 HydrophobicContact CD2-CB 3.86Å; L257-A260 PolarHBondContact O-N 2.85Å; A260-L324 HydrophobicContact CB-CD2 3.94Å
261	S	90	Very high	88.4	Confident	56 Å²	56	60.2 Å²	60.2	39%	0.392	31%	0.308	S	S	.	.			trans	-94.2	162.2	165.4	-172.2	0	0	0	0	111.5	D263 Q264	S261-D263 PolarHBondContact O-N 3.08Å; S261-Q264 PolarHBondContact O-N 2.96Å; S261-Q264 VanDerWaalsContact O-N 3.16Å
262	A	91.5	Very high	88.5	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-57.1	-33.5	175.2	0	0	0	0	0	112.8	L243 H244 Q264 M265	L243-A262 HydrophobicContact CB-CB 4.32Å; H244-A262 HydrophobicContact CB-CB 4.17Å; A262-Q264 VanDerWaalsContact C-N 3.28Å; A262-Q264 PolarHBondContact O-N 2.91Å; A262-M265 WeakPolarHBondContact O-CB 3.46Å; A262-M265 PolarHBondContact O-N 2.88Å; A262-M265 VanDerWaalsContact O-N 3.11Å
263	D	93	Very high	88.7	Confident	80 Å²	80	47.4 Å²	47.4	43%	0.428	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-72.8	-19.7	-179	-53.9	-59.4	0	0	0	114.2	H240 S261 M265 R325	H240-D263 IonicContact CE1-OD1 3.63Å; H240-D263 PolarHBondContact CE1-OD1 3.23Å; H240-D263 IonicContact CE1-OD2 2.94Å; H240-D263 IonicContact ND1-OD1 3.97Å; H240-D263 PolarHBondContact ND1-OD1 3.39Å; S261-D263 PolarHBondContact O-N 3.08Å; D263-M265 VanDerWaalsContact C-N 3.35Å; D263-R325 PolarHBondContact O-NH2 2.77Å
264	Q	93.1	Very high	89	Confident	98 Å²	98	42.9 Å²	42.9	46%	0.458	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-85.1	-10.9	172.7	-67.5	171.2	-35.5	0	0	112.3	S261 A262 L324 R325	S261-Q264 PolarHBondContact O-N 2.96Å; S261-Q264 VanDerWaalsContact O-N 3.16Å; A262-Q264 VanDerWaalsContact C-N 3.28Å; A262-Q264 PolarHBondContact O-N 2.91Å; Q264-L324 HydrophobicContact CB-CD2 4.42Å; Q264-L324 CarbonylContact O-C 3.58Å; Q264-L324 WeakPolarHBondContact O-CA 3.41Å; Q264-R325 WeakPolarHBondContact O-CB 3.34Å; Q264-R325 PolarHBondContact O-N 3.19Å
265	M	92.8	Very high	89.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	162.9	169.8	-59.9	-66.7	-104.6	0	0	110.3	Y221 L243 V247 L250 L257 A262 D263 H276 V322 C323 L324	Y221-M265 HydrophobicContact CD2-CE 4.12Å; Y221-M265 HydrophobicContact CE2-CE 4.06Å; L243-M265 HydrophobicContact CB-CB 4.41Å; L243-M265 HydrophobicContact CD1-CB 4.15Å; L243-M265 HydrophobicContact CD2-CB 3.94Å; L243-M265 HydrophobicContact CG-CB 4.4Å; V247-M265 HydrophobicContact CG2-CE 3.82Å; V247-M265 HydrophobicContact CG2-CG 3.55Å; V247-M265 HydrophobicContact CG2-SD 4.25Å; L250-M265 HydrophobicContact CD1-CE 3.97Å; L257-M265 HydrophobicContact CD1-CE 4.17Å; L257-M265 HydrophobicContact CD2-CE 3.78Å; L257-M265 HydrophobicContact CD2-SD 3.78Å; A262-M265 WeakPolarHBondContact O-CB 3.46Å; A262-M265 PolarHBondContact O-N 2.88Å; A262-M265 VanDerWaalsContact O-N 3.11Å; D263-M265 VanDerWaalsContact C-N 3.35Å; M265-H276 PolarHBondContact O-CE1 2.94Å; M265-H276 PolarHBondContact O-NE2 3.24Å; M265-H276 VanDerWaalsContact O-NE2 3.13Å; M265-V322 HydrophobicContact CE-CG1 3.59Å; M265-C323 CarbonylContact C-O 3.48Å; M265-C323 WeakPolarHBondContact CA-O 3.4Å; M265-L324 HydrophobicContact SD-CD2 3.59Å; M265-L324 VanDerWaalsContact SD-CD2 3.59Å; M265-L324 HydrophobicContact SD-CG 3.96Å
266	M	93.6	Very high	90	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141	173.8	-66.3	176.5	59.5	0	0	108.7	I268 I273 V322 C323 R325 Y328	M266-I268 HydrophobicContact CB-CD1 4.25Å; M266-I273 HydrophobicContact CE-CD1 4.04Å; M266-I273 HydrophobicContact CE-CG1 4.44Å; M266-I273 HydrophobicContact CE-CG2 3.44Å; M266-I273 VanDerWaalsContact CE-CG2 3.44Å; M266-V322 WeakPolarHBondContact O-CA 3.29Å; M266-C323 PolarHBondContact N-O 3.21Å; M266-C323 PolarHBondContact O-N 3.01Å; M266-C323 VanDerWaalsContact O-N 3.13Å; M266-R325 HydrophobicContact CG-CB 4.26Å; M266-R325 HydrophobicContact SD-CB 3.89Å; M266-R325 HydrophobicContact SD-CG 3.98Å; M266-Y328 HydrophobicContact CE-CD1 3.65Å; M266-Y328 HydrophobicContact CE-CE1 4.01Å; M266-Y328 HydrophobicContact CE-CG 4.2Å; M266-Y328 HydrophobicContact SD-CD1 3.89Å; M266-Y328 HydrophobicContact SD-CG 4.28Å
267	Y	95	Very high	90.6	Very high	2 Å²	2	39 Å²	39	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133	174.7	-176	-122.3	0	0	0	110.7	I239 F242 K269 I274 F280 F296 V322	I239-Y267 HydrophobicContact CD1-CD1 4.18Å; I239-Y267 HydrophobicContact CG2-CD1 4.37Å; I239-Y267 HydrophobicContact CG2-CG 4.47Å; F242-Y267 AromaticContact CE1-CD2 3.66Å; F242-Y267 HydrophobicContact CE1-CD2 3.66Å; F242-Y267 AromaticContact CE1-CE2 3.75Å; F242-Y267 HydrophobicContact CE1-CE2 3.75Å; F242-Y267 HydrophobicContact CE1-CG 4.16Å; F242-Y267 HydrophobicContact CZ-CD2 4.34Å; F242-Y267 HydrophobicContact CZ-CE2 4.03Å; Y267-K269 HydrophobicContact CE1-CB 4.17Å; Y267-I274 HydrophobicContact CD1-CB 4.24Å; Y267-I274 HydrophobicContact CD1-CD1 3.99Å; Y267-I274 HydrophobicContact CD1-CG1 4.24Å; Y267-I274 HydrophobicContact CE1-CD1 3.98Å; Y267-I274 PolarHBondContact O-N 3.17Å; Y267-F280 HydrophobicContact CE1-CE1 4.41Å; Y267-F296 HydrophobicContact CE1-CZ 4.13Å; Y267-V322 HydrophobicContact CD2-CG2 3.78Å; Y267-V322 HydrophobicContact CE2-CG2 4.37Å
268	I	92.8	Very high	91.1	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.9	-178.5	-53.7	92.7	0	0	0	109.6	M266 L272 I273 G320 K321 W340	M266-I268 HydrophobicContact CB-CD1 4.25Å; I268-L272 CarbonylContact C-O 3.59Å; I268-L272 VanDerWaalsContact CA-O 3.29Å; I268-L272 WeakPolarHBondContact CA-O 3.13Å; I268-I273 HydrophobicContact CG1-CB 4.47Å; I268-I273 HydrophobicContact CG1-CG1 3.93Å; I268-G320 CarbonylContact O-C 3.55Å; I268-G320 WeakPolarHBondContact O-CA 3.48Å; I268-K321 HydrophobicContact CB-CB 4.36Å; I268-K321 PolarHBondContact N-O 3.25Å; I268-K321 PolarHBondContact O-N 2.93Å; I268-W340 HydrophobicContact CB-CD2 4.47Å; I268-W340 HydrophobicContact CD1-CE3 3.97Å; I268-W340 HydrophobicContact CD1-CH2 4.4Å; I268-W340 HydrophobicContact CD1-CZ3 3.82Å; I268-W340 HydrophobicContact CG1-CD2 4.09Å; I268-W340 HydrophobicContact CG1-CE3 3.79Å; I268-W340 HydrophobicContact CG1-CZ3 4.14Å; I268-W340 HydrophobicContact CG2-CB 4.49Å; I268-W340 HydrophobicContact CG2-CD2 3.87Å; I268-W340 HydrophobicContact CG2-CE3 4.44Å; I268-W340 HydrophobicContact CG2-CG 3.87Å
269	K	90.5	Very high	91.7	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.035	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.3	175.9	-180	58.4	-171	-87.8	0	109.3	Y267 D271 L272 I274 L295 S317 H318	Y267-K269 HydrophobicContact CE1-CB 4.17Å; K269-D271 VanDerWaalsContact C-N 3.25Å; K269-D271 PolarHBondContact O-N 2.97Å; K269-L272 PolarHBondContact N-O 3.14Å; K269-L272 WeakPolarHBondContact O-CB 3.33Å; K269-L272 PolarHBondContact O-N 3.36Å; K269-I274 HydrophobicContact CB-CD1 4.16Å; K269-L295 HydrophobicContact CB-CD2 4.37Å; K269-L295 WeakPolarHBondContact CE-O 3.42Å; K269-L295 HydrophobicContact CG-CB 4.49Å; K269-L295 HydrophobicContact CG-CD2 4.09Å; K269-L295 VanDerWaalsContact CG-O 3.25Å; K269-L295 WeakPolarHBondContact CG-O 3.47Å; K269-L295 PolarHBondContact NZ-O 3.01Å; K269-S317 PolarHBondContact NZ-OG 2.61Å; K269-H318 WeakPolarHBondContact CD-O 3.29Å; K269-H318 WeakPolarHBondContact CE-O 3.49Å; K269-H318 PolarHBondContact NZ-O 3.44Å
270	E	87.5	Confident	92.1	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.075	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	44	-173.2	-50.8	-45.8	135.3	0	0	114.8	L272 K291 S292 L295 H318	E270-L272 PolarHBondContact O-N 3.15Å; E270-K291 PolarHBondContact O-N 3.06Å; E270-S292 WeakPolarHBondContact OE2-CB 3.46Å; E270-L295 HydrophobicContact CB-CD2 3.86Å; E270-L295 HydrophobicContact CG-CD2 3.99Å; E270-H318 IonicContact OE1-CD2 2.55Å; E270-H318 PolarHBondContact OE1-N 3.28Å; E270-H318 IonicContact OE2-CD2 2.8Å; E270-H318 PolarHBondContact OE2-CD2 2.85Å
271	D	88.5	Confident	92.2	Very high	29 Å²	29	29.6 Å²	29.6	16%	0.155	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	25.3	-174.9	-59.2	-44.1	0	0	0	114.7	K269 K291 R339 W340 E341	K269-D271 VanDerWaalsContact C-N 3.25Å; K269-D271 PolarHBondContact O-N 2.97Å; D271-K291 HydrophobicContact CB-CD 4.15Å; D271-R339 HydrophobicContact CB-CG 4.06Å; D271-R339 WeakPolarHBondContact OD2-CD 3.47Å; D271-R339 IonicContact OD2-CZ 2.82Å; D271-R339 IonicContact OD2-NE 2.73Å; D271-R339 PolarHBondContact OD2-NE 2.9Å; D271-R339 IonicContact OD2-NH2 3.75Å; D271-W340 WeakPolarHBondContact O-CA 3.41Å; D271-W340 VanDerWaalsContact OD1-CD1 3.25Å; D271-W340 PolarHBondContact OD1-NE1 2.86Å; D271-W340 VanDerWaalsContact OD1-NE1 3.08Å; D271-E341 PolarHBondContact O-N 2.9Å; D271-E341 VanDerWaalsContact O-N 3.08Å
272	L	90.6	Very high	92.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.9	170	-58.9	-178.2	0	0	0	110.9	I268 K269 E270 K291 L295 E341 Y343 W349	I268-L272 CarbonylContact C-O 3.59Å; I268-L272 VanDerWaalsContact CA-O 3.29Å; I268-L272 WeakPolarHBondContact CA-O 3.13Å; K269-L272 PolarHBondContact N-O 3.14Å; K269-L272 WeakPolarHBondContact O-CB 3.33Å; K269-L272 PolarHBondContact O-N 3.36Å; E270-L272 PolarHBondContact O-N 3.15Å; L272-K291 HydrophobicContact CD2-CD 4.39Å; L272-K291 HydrophobicContact CD2-CG 4.11Å; L272-K291 HydrophobicContact CG-CG 4.46Å; L272-L295 HydrophobicContact CD1-CD2 4.38Å; L272-E341 CarbonylContact C-O 3.51Å; L272-E341 VanDerWaalsContact CA-O 3.31Å; L272-E341 WeakPolarHBondContact CA-O 3.31Å; L272-E341 HydrophobicContact CD2-CB 4.04Å; L272-Y343 HydrophobicContact CB-CD2 4.47Å; L272-Y343 HydrophobicContact CD1-CD2 3.88Å; L272-Y343 HydrophobicContact CD1-CE2 4.5Å; L272-W349 HydrophobicContact CD1-CD2 4.31Å; L272-W349 HydrophobicContact CD1-CE3 4.08Å; L272-W349 HydrophobicContact CD1-CH2 3.36Å; L272-W349 HydrophobicContact CD1-CZ2 3.6Å; L272-W349 HydrophobicContact CD1-CZ3 3.61Å; L272-W349 HydrophobicContact CD2-CH2 3.98Å; L272-W349 HydrophobicContact CD2-CZ2 3.5Å; L272-W349 VanDerWaalsContact CD2-CZ2 3.5Å; L272-W349 HydrophobicContact CG-CH2 4.35Å; L272-W349 HydrophobicContact CG-CZ2 4.22Å
273	I	93.4	Very high	92.1	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.108	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	114	176.4	-56.2	169.9	0	0	0	107.6	M266 I268 Y328 W340 E341 Y343	M266-I273 HydrophobicContact CE-CD1 4.04Å; M266-I273 HydrophobicContact CE-CG1 4.44Å; M266-I273 HydrophobicContact CE-CG2 3.44Å; M266-I273 VanDerWaalsContact CE-CG2 3.44Å; I268-I273 HydrophobicContact CG1-CB 4.47Å; I268-I273 HydrophobicContact CG1-CG1 3.93Å; I273-Y328 HydrophobicContact CD1-CE1 4Å; I273-Y328 HydrophobicContact CD1-CE2 4.23Å; I273-W340 HydrophobicContact CD1-CB 3.92Å; I273-W340 HydrophobicContact CG1-CB 3.85Å; I273-E341 PolarHBondContact N-O 3.4Å; I273-Y343 WeakPolarHBondContact O-CB 3.17Å; I273-Y343 PolarHBondContact O-N 2.97Å
274	I	93.5	Very high	91.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.6	-172.9	-48.1	-169.7	0	0	0	111	I239 Y267 K269 Y278 F283 L295	I239-I274 HydrophobicContact CD1-CB 3.9Å; I239-I274 HydrophobicContact CD1-CD1 4.49Å; I239-I274 HydrophobicContact CD1-CG2 3.3Å; Y267-I274 HydrophobicContact CD1-CB 4.24Å; Y267-I274 HydrophobicContact CD1-CD1 3.99Å; Y267-I274 HydrophobicContact CD1-CG1 4.24Å; Y267-I274 HydrophobicContact CE1-CD1 3.98Å; Y267-I274 PolarHBondContact O-N 3.17Å; K269-I274 HydrophobicContact CB-CD1 4.16Å; I274-Y278 HydrophobicContact CG2-CD2 4.23Å; I274-F283 HydrophobicContact CD1-CE1 4.49Å; I274-F283 HydrophobicContact CD1-CZ 4.32Å; I274-F283 HydrophobicContact CG2-CE1 4.04Å; I274-F283 HydrophobicContact CG2-CE2 3.86Å; I274-F283 HydrophobicContact CG2-CZ 3.25Å; I274-L295 HydrophobicContact CD1-CD1 4.27Å
275	P	93.7	Very high	91.3	Very high	40 Å²	40	27.3 Å²	27.3	26%	0.26	14%	0.14	S	C	.	.			trans	-59.8	144.8	175.2	-27	36.1	0	0	0	114.1	H277 Y278	P275-H277 VanDerWaalsContact CB-CE1 3.43Å; P275-H277 WeakPolarHBondContact CB-CE1 3.43Å; P275-H277 PolarHBondContact O-N 2.73Å; P275-H277 VanDerWaalsContact O-N 3.14Å; P275-Y278 HydrophobicContact CB-CD2 3.94Å; P275-Y278 HydrophobicContact CB-CE2 4.07Å; P275-Y278 HydrophobicContact CG-CD2 4.13Å; P275-Y278 HydrophobicContact CG-CE2 3.9Å; P275-Y278 PolarHBondContact O-N 3.02Å
276	H	94.8	Very high	90.9	Very high	35 Å²	35	31.4 Å²	31.4	16%	0.162	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.2	-169.5	-60.5	-173.5	0	0	0	114.5	H240 M265	H240-H276 HydrophobicContact CB-CB 4.15Å; H240-H276 PolarHBondContact N-O 2.85Å; M265-H276 PolarHBondContact O-CE1 2.94Å; M265-H276 PolarHBondContact O-NE2 3.24Å; M265-H276 VanDerWaalsContact O-NE2 3.13Å
277	H	93.9	Very high	90.4	Very high	135 Å²	135	38.9 Å²	38.9	63%	0.625	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.6	-177.5	56.5	-113.3	0	0	0	113.9	P275	P275-H277 VanDerWaalsContact CB-CE1 3.43Å; P275-H277 WeakPolarHBondContact CB-CE1 3.43Å; P275-H277 PolarHBondContact O-N 2.73Å; P275-H277 VanDerWaalsContact O-N 3.14Å
278	Y	93.9	Very high	89.7	Confident	52 Å²	52	39.2 Å²	39.2	20%	0.204	20%	0.2	C	C	.	.			trans	-71.7	151.2	176.2	-70.6	-70.8	0	0	0	111.6	S238 I239 I274 P275 D282 F283 Y343	S238-Y278 WeakPolarHBondContact CA-O 3.22Å; I239-Y278 PolarHBondContact N-O 2.75Å; I274-Y278 HydrophobicContact CG2-CD2 4.23Å; P275-Y278 HydrophobicContact CB-CD2 3.94Å; P275-Y278 HydrophobicContact CB-CE2 4.07Å; P275-Y278 HydrophobicContact CG-CD2 4.13Å; P275-Y278 HydrophobicContact CG-CE2 3.9Å; P275-Y278 PolarHBondContact O-N 3.02Å; Y278-D282 HydrophobicContact CD1-CB 4.23Å; Y278-F283 VanDerWaalsContact CB-CZ 3.44Å; Y278-F283 HydrophobicContact CD1-CZ 4.26Å; Y278-F283 AromaticContact CD2-CZ 3.97Å; Y278-F283 HydrophobicContact CD2-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CE2 4.24Å; Y278-F283 AromaticContact CG-CZ 3.66Å; Y278-F283 HydrophobicContact CG-CZ 3.66Å; Y278-Y343 HydrophobicContact CE2-CD1 4.03Å; Y278-Y343 HydrophobicContact CE2-CE1 4.39Å
279	T	93	Very high	89.1	Confident	22 Å²	22	42.7 Å²	42.7	14%	0.135	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-103.9	159.2	170.9	67.9	0	0	0	0	110.6	G236 H237 Y281 D282 F283	G236-T279 WeakPolarHBondContact O-CG2 3.47Å; H237-T279 VanDerWaalsContact O-CA 3.31Å; H237-T279 WeakPolarHBondContact O-CA 3.47Å; H237-T279 WeakPolarHBondContact O-CB 3.37Å; T279-Y281 PolarHBondContact O-N 2.83Å; T279-Y281 WeakPolarHBondContact OG1-CB 3.38Å; T279-D282 WeakPolarHBondContact CA-OD2 3.28Å; T279-D282 WeakPolarHBondContact CB-OD2 3.16Å; T279-D282 PolarHBondContact N-OD2 2.85Å; T279-D282 PolarHBondContact O-N 3.41Å; T279-D282 VanDerWaalsContact O-N 3.1Å; T279-D282 PolarHBondContact OG1-N 2.76Å; T279-D282 PolarHBondContact OG1-OD1 3.35Å; T279-D282 PolarHBondContact OG1-OD2 3.1Å; T279-F283 WeakPolarHBondContact O-CD2 3.37Å; T279-F283 WeakPolarHBondContact O-CE2 3.31Å
280	F	90.9	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-31.6	175.3	-62	-83	0	0	0	111.7	I215 I217 K235 H237 I239 F242 Y267 D282 F283 I284 F296	I215-F280 HydrophobicContact CD1-CB 3.61Å; I215-F280 HydrophobicContact CD1-CD1 4.35Å; I215-F280 HydrophobicContact CD1-CD2 4.3Å; I215-F280 HydrophobicContact CD1-CG 3.81Å; I217-F280 HydrophobicContact CD1-CD1 3.93Å; I217-F280 HydrophobicContact CD1-CD2 3.87Å; I217-F280 HydrophobicContact CD1-CE1 3.6Å; I217-F280 HydrophobicContact CD1-CE2 3.56Å; I217-F280 HydrophobicContact CD1-CG 4.07Å; I217-F280 HydrophobicContact CD1-CZ 3.42Å; I217-F280 VanDerWaalsContact CD1-CZ 3.42Å; I217-F280 HydrophobicContact CG1-CD1 4.4Å; I217-F280 HydrophobicContact CG1-CE1 4.2Å; I217-F280 HydrophobicContact CG1-CZ 4.46Å; K235-F280 CarbonylContact O-C 3.42Å; K235-F280 WeakPolarHBondContact O-CB 3.35Å; K235-F280 PolarHBondContact O-N 2.89Å; H237-F280 WeakPolarHBondContact O-CD2 3.32Å; H237-F280 PolarHBondContact O-N 3.49Å; I239-F280 HydrophobicContact CG1-CE1 4.27Å; I239-F280 HydrophobicContact CG1-CE2 4.13Å; I239-F280 HydrophobicContact CG1-CZ 3.79Å; F242-F280 HydrophobicContact CB-CE2 3.73Å; F242-F280 HydrophobicContact CB-CZ 3.81Å; F242-F280 AromaticContact CD1-CZ 3.99Å; F242-F280 HydrophobicContact CD1-CZ 3.99Å; F242-F280 HydrophobicContact CD2-CZ 4.12Å; F242-F280 HydrophobicContact CG-CE2 4.12Å; F242-F280 AromaticContact CG-CZ 3.7Å; F242-F280 HydrophobicContact CG-CZ 3.7Å; Y267-F280 HydrophobicContact CE1-CE1 4.41Å; F280-D282 VanDerWaalsContact C-N 3.31Å; F280-D282 PolarHBondContact O-N 2.83Å; F280-F283 PolarHBondContact O-N 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 2.92Å; F280-F296 AromaticContact CD1-CE1 3.95Å; F280-F296 HydrophobicContact CD1-CE1 3.95Å; F280-F296 HydrophobicContact CD1-CE2 4.3Å; F280-F296 AromaticContact CD1-CZ 3.64Å; F280-F296 HydrophobicContact CD1-CZ 3.64Å; F280-F296 HydrophobicContact CE1-CE1 4.09Å; F280-F296 AromaticContact CE1-CZ 3.79Å; F280-F296 HydrophobicContact CE1-CZ 3.79Å
281	Y	90.7	Very high	88.2	Confident	12 Å²	12	42.1 Å²	42.1	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-55.4	-38.9	172	-177.5	-94.6	0	0	0	113.8	Q207 I210 K211 K235 T279 F283 I284 V285	Q207-Y281 PolarHBondContact NE2-OH 3.41Å; Q207-Y281 PolarHBondContact OE1-OH 2.75Å; I210-Y281 HydrophobicContact CB-CD2 4.43Å; I210-Y281 HydrophobicContact CB-CE2 3.87Å; I210-Y281 HydrophobicContact CG2-CD2 3.94Å; I210-Y281 HydrophobicContact CG2-CE2 3.6Å; K211-Y281 HydrophobicContact CD-CD1 4.31Å; K211-Y281 HydrophobicContact CD-CG 4.28Å; K211-Y281 VanDerWaalsContact CE-CE1 3.43Å; K211-Y281 HydrophobicContact CG-CD1 4.16Å; K211-Y281 HydrophobicContact CG-CD2 3.61Å; K211-Y281 HydrophobicContact CG-CE2 4.12Å; K211-Y281 HydrophobicContact CG-CG 3.64Å; K235-Y281 WeakPolarHBondContact O-CB 3.07Å; K235-Y281 PolarHBondContact O-N 2.93Å; T279-Y281 PolarHBondContact O-N 2.83Å; T279-Y281 WeakPolarHBondContact OG1-CB 3.38Å; Y281-F283 VanDerWaalsContact C-N 3.33Å; Y281-F283 PolarHBondContact O-N 3.44Å; Y281-I284 WeakPolarHBondContact O-CB 3.41Å; Y281-I284 PolarHBondContact O-N 3.09Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; Y281-V285 HydrophobicContact CD1-CG2 4.02Å; Y281-V285 HydrophobicContact CE1-CG2 3.37Å; Y281-V285 HydrophobicContact CE2-CG2 3.92Å; Y281-V285 PolarHBondContact O-N 2.83Å; Y281-V285 VanDerWaalsContact OH-CG2 3.26Å; Y281-V285 WeakPolarHBondContact OH-CG2 3.34Å
282	D	90.8	Very high	87.5	Confident	52 Å²	52	42.8 Å²	42.8	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-67.1	-36.8	-177.4	-54.6	-47.1	0	0	0	111.4	Y278 T279 F280 T286	Y278-D282 HydrophobicContact CD1-CB 4.23Å; T279-D282 WeakPolarHBondContact CA-OD2 3.28Å; T279-D282 WeakPolarHBondContact CB-OD2 3.16Å; T279-D282 PolarHBondContact N-OD2 2.85Å; T279-D282 PolarHBondContact O-N 3.41Å; T279-D282 VanDerWaalsContact O-N 3.1Å; T279-D282 PolarHBondContact OG1-N 2.76Å; T279-D282 PolarHBondContact OG1-OD1 3.35Å; T279-D282 PolarHBondContact OG1-OD2 3.1Å; F280-D282 VanDerWaalsContact C-N 3.31Å; F280-D282 PolarHBondContact O-N 2.83Å; D282-T286 WeakPolarHBondContact O-CB 3.31Å; D282-T286 WeakPolarHBondContact O-CG2 3.43Å; D282-T286 PolarHBondContact O-N 2.76Å; D282-T286 PolarHBondContact O-OG1 2.85Å
283	F	87.5	Confident	86.7	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-72	-28.2	174.3	-55.3	-70.8	0	0	0	113	I239 I274 Y278 T279 F280 Y281 K287 A288 L295 F296 Y343	I239-F283 HydrophobicContact CD1-CE2 3.78Å; I239-F283 HydrophobicContact CD1-CZ 4.34Å; I274-F283 HydrophobicContact CD1-CE1 4.49Å; I274-F283 HydrophobicContact CD1-CZ 4.32Å; I274-F283 HydrophobicContact CG2-CE1 4.04Å; I274-F283 HydrophobicContact CG2-CE2 3.86Å; I274-F283 HydrophobicContact CG2-CZ 3.25Å; Y278-F283 VanDerWaalsContact CB-CZ 3.44Å; Y278-F283 HydrophobicContact CD1-CZ 4.26Å; Y278-F283 AromaticContact CD2-CZ 3.97Å; Y278-F283 HydrophobicContact CD2-CZ 3.97Å; Y278-F283 HydrophobicContact CG-CE2 4.24Å; Y278-F283 AromaticContact CG-CZ 3.66Å; Y278-F283 HydrophobicContact CG-CZ 3.66Å; T279-F283 WeakPolarHBondContact O-CD2 3.37Å; T279-F283 WeakPolarHBondContact O-CE2 3.31Å; F280-F283 PolarHBondContact O-N 3.3Å; Y281-F283 VanDerWaalsContact C-N 3.33Å; Y281-F283 PolarHBondContact O-N 3.44Å; F283-K287 WeakPolarHBondContact O-CA 3.42Å; F283-K287 PolarHBondContact O-N 3.33Å; F283-A288 HydrophobicContact CB-CB 4.19Å; F283-A288 HydrophobicContact CD1-CB 3.75Å; F283-A288 HydrophobicContact CG-CB 4.47Å; F283-A288 PolarHBondContact O-N 3.06Å; F283-A288 VanDerWaalsContact O-N 3.1Å; F283-L295 HydrophobicContact CD1-CD1 3.82Å; F283-L295 HydrophobicContact CE1-CD1 4.24Å; F283-F296 HydrophobicContact CB-CD2 3.99Å; F283-F296 HydrophobicContact CB-CE2 4.04Å; F283-F296 HydrophobicContact CD2-CE2 4.09Å; F283-F296 HydrophobicContact CG-CE2 4.1Å; F283-Y343 HydrophobicContact CD1-CE2 4.42Å; F283-Y343 HydrophobicContact CE1-CD1 4.09Å; F283-Y343 HydrophobicContact CE1-CD2 4.41Å; F283-Y343 AromaticContact CE1-CE1 3.71Å; F283-Y343 HydrophobicContact CE1-CE1 3.71Å; F283-Y343 HydrophobicContact CE1-CE2 4.09Å; F283-Y343 HydrophobicContact CE1-CG 4.42Å; F283-Y343 AromaticContact CE1-CZ 3.72Å
284	I	84.8	Confident	86.1	Confident	40 Å²	40	44.8 Å²	44.8	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-53.3	171.8	-67.5	169.7	0	0	0	110.1	K235 F280 Y281 K287 F298	K235-I284 HydrophobicContact CB-CD1 4.15Å; K235-I284 HydrophobicContact CD-CD1 3.47Å; K235-I284 VanDerWaalsContact CD-CD1 3.47Å; K235-I284 HydrophobicContact CG-CD1 3.68Å; F280-I284 WeakPolarHBondContact O-CG1 3.35Å; F280-I284 PolarHBondContact O-N 2.92Å; Y281-I284 WeakPolarHBondContact O-CB 3.41Å; Y281-I284 PolarHBondContact O-N 3.09Å; Y281-I284 VanDerWaalsContact O-N 3.16Å; I284-K287 PolarHBondContact O-N 3.46Å; I284-F298 HydrophobicContact CD1-CD1 4.35Å; I284-F298 HydrophobicContact CD1-CD2 3.96Å; I284-F298 HydrophobicContact CD1-CE1 4.23Å; I284-F298 HydrophobicContact CD1-CE2 3.75Å; I284-F298 HydrophobicContact CD1-CG 4.22Å; I284-F298 HydrophobicContact CD1-CZ 3.91Å; I284-F298 HydrophobicContact CG1-CD2 3.33Å; I284-F298 HydrophobicContact CG1-CE2 3.18Å; I284-F298 HydrophobicContact CG1-CG 4.03Å; I284-F298 HydrophobicContact CG1-CZ 3.86Å
285	V	85.3	Confident	85.4	Confident	89 Å²	89	44.8 Å²	44.8	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-42.4	-175.8	174.2	0	0	0	0	111.9	Y281 K287	Y281-V285 HydrophobicContact CD1-CG2 4.02Å; Y281-V285 HydrophobicContact CE1-CG2 3.37Å; Y281-V285 HydrophobicContact CE2-CG2 3.92Å; Y281-V285 PolarHBondContact O-N 2.83Å; Y281-V285 VanDerWaalsContact OH-CG2 3.26Å; Y281-V285 WeakPolarHBondContact OH-CG2 3.34Å; V285-K287 PolarHBondContact O-N 3.03Å
286	T	85.2	Confident	84.5	Confident	87 Å²	87	44.3 Å²	44.3	53%	0.534	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.2	177.8	54	0	0	0	0	113.6	D282 A288	D282-T286 WeakPolarHBondContact O-CB 3.31Å; D282-T286 WeakPolarHBondContact O-CG2 3.43Å; D282-T286 PolarHBondContact O-N 2.76Å; D282-T286 PolarHBondContact O-OG1 2.85Å; T286-A288 PolarHBondContact O-N 3.13Å
287	K	81.8	Confident	83	Confident	165 Å²	165	44.9 Å²	44.9	72%	0.717	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.9	43.7	-168.9	-61.9	-163	175.4	-159.9	0	112.2	F283 I284 V285 R289	F283-K287 WeakPolarHBondContact O-CA 3.42Å; F283-K287 PolarHBondContact O-N 3.33Å; I284-K287 PolarHBondContact O-N 3.46Å; V285-K287 PolarHBondContact O-N 3.03Å; K287-R289 PolarHBondContact O-N 3.35Å; K287-R289 VanDerWaalsContact O-N 3.14Å
288	A	81.9	Confident	81.5	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	22%	0.217	C	C	.	.			trans	-55.8	117.9	-167.8	0	0	0	0	0	112.5	F283 T286 L295 Y343	F283-A288 HydrophobicContact CB-CB 4.19Å; F283-A288 HydrophobicContact CD1-CB 3.75Å; F283-A288 HydrophobicContact CG-CB 4.47Å; F283-A288 PolarHBondContact O-N 3.06Å; F283-A288 VanDerWaalsContact O-N 3.1Å; T286-A288 PolarHBondContact O-N 3.13Å; A288-L295 HydrophobicContact CB-CD1 3.84Å; A288-L295 HydrophobicContact CB-CG 4.35Å; A288-L295 WeakPolarHBondContact O-CB 3.37Å; A288-L295 WeakPolarHBondContact O-CG 3.5Å; A288-L295 PolarHBondContact O-N 2.85Å; A288-Y343 HydrophobicContact CB-CE2 4.25Å; A288-Y343 WeakPolarHBondContact CB-OH 3.41Å
289	R	80.2	Confident	79.6	Confident	76 Å²	76	45.5 Å²	45.5	29%	0.287	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-90.4	131.7	174	-165.3	-178.5	177.6	89.1	10.4	109.1	K287 W349	K287-R289 PolarHBondContact O-N 3.35Å; K287-R289 VanDerWaalsContact O-N 3.14Å; R289-W349 PolarHBondContact NE-O 2.83Å
290	G	80.3	Confident	77.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.			trans	-96.3	-166.5	171.1	0	0	0	0	0	112.5	S292 G293 W349	G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 3.13Å; G290-G293 PolarHBondContact N-O 2.91Å; G290-W349 WeakPolarHBondContact O-CB 3.49Å
291	K	77.1	Confident	75	Confident	13 Å²	13	56.9 Å²	56.9	6%	0.057	30%	0.303	C	S	.	.	S	Bend	trans	-69.7	-16.2	-177.9	-63.5	-176.1	-178.4	-178.2	0	114.9	E270 D271 L272 R339 E341 Y352	E270-K291 PolarHBondContact O-N 3.06Å; D271-K291 HydrophobicContact CB-CD 4.15Å; L272-K291 HydrophobicContact CD2-CD 4.39Å; L272-K291 HydrophobicContact CD2-CG 4.11Å; L272-K291 HydrophobicContact CG-CG 4.46Å; K291-R339 PolarHBondContact NZ-O 3.46Å; K291-E341 VanDerWaalsContact CE-CD 3.48Å; K291-E341 WeakPolarHBondContact CE-OE1 3.39Å; K291-E341 IonicContact NZ-OE1 3.28Å; K291-E341 PolarHBondContact NZ-OE1 2.78Å; K291-E341 IonicContact NZ-OE2 2.68Å; K291-Y352 WeakPolarHBondContact O-CD1 3.26Å; K291-Y352 WeakPolarHBondContact O-CE1 3.07Å
292	S	74.3	Confident	72.4	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	33%	0.33	S	S	.	.	S	Bend	trans	-108.9	-23.7	-177.5	-136.9	0	0	0	0	113.3	E270 G290 V354	E270-S292 WeakPolarHBondContact OE2-CB 3.46Å; G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 3.13Å; S292-V354 WeakPolarHBondContact OG-CG2 3.49Å
293	G	74.2	Confident	69.7	Low	10 Å²	10	64.4 Å²	64.4	10%	0.103	34%	0.344	C	S	.	.	S	Bend	trans	159.7	-164.6	-166.6	0	0	0	0	0	110.3	G290	G290-G293 PolarHBondContact N-O 2.91Å
294	P	79.7	Confident	67.6	Low	54 Å²	54	69 Å²	69	35%	0.351	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-54	137.6	173	-23.7	34.5	0	0	0	111.9	F296	P294-F296 PolarHBondContact O-N 3.16Å
295	L	78.9	Confident	65.6	Low	1 Å²	1	76.1 Å²	76.1	1%	0.005	40%	0.396	C	S	.	.	S	Bend	trans	-62.4	-25.7	175.6	-74.6	-175.5	0	0	0	112.2	K269 E270 L272 I274 F283 A288 Y343	K269-L295 HydrophobicContact CB-CD2 4.37Å; K269-L295 WeakPolarHBondContact CE-O 3.42Å; K269-L295 HydrophobicContact CG-CB 4.49Å; K269-L295 HydrophobicContact CG-CD2 4.09Å; K269-L295 VanDerWaalsContact CG-O 3.25Å; K269-L295 WeakPolarHBondContact CG-O 3.47Å; K269-L295 PolarHBondContact NZ-O 3.01Å; E270-L295 HydrophobicContact CB-CD2 3.86Å; E270-L295 HydrophobicContact CG-CD2 3.99Å; L272-L295 HydrophobicContact CD1-CD2 4.38Å; I274-L295 HydrophobicContact CD1-CD1 4.27Å; F283-L295 HydrophobicContact CD1-CD1 3.82Å; F283-L295 HydrophobicContact CE1-CD1 4.24Å; A288-L295 HydrophobicContact CB-CD1 3.84Å; A288-L295 HydrophobicContact CB-CG 4.35Å; A288-L295 WeakPolarHBondContact O-CB 3.37Å; A288-L295 WeakPolarHBondContact O-CG 3.5Å; A288-L295 PolarHBondContact O-N 2.85Å; L295-Y343 HydrophobicContact CD1-CD2 3.97Å; L295-Y343 HydrophobicContact CD1-CE2 3.7Å
296	F	76.1	Confident	63.7	Low	29 Å²	29	79.6 Å²	79.6	13%	0.127	41%	0.41	C	S	.	.			trans	-153.4	128.5	176.7	-59.6	-87.4	0	0	0	109.9	Y267 F280 F283 P294 F298	Y267-F296 HydrophobicContact CE1-CZ 4.13Å; F280-F296 AromaticContact CD1-CE1 3.95Å; F280-F296 HydrophobicContact CD1-CE1 3.95Å; F280-F296 HydrophobicContact CD1-CE2 4.3Å; F280-F296 AromaticContact CD1-CZ 3.64Å; F280-F296 HydrophobicContact CD1-CZ 3.64Å; F280-F296 HydrophobicContact CE1-CE1 4.09Å; F280-F296 AromaticContact CE1-CZ 3.79Å; F280-F296 HydrophobicContact CE1-CZ 3.79Å; F283-F296 HydrophobicContact CB-CD2 3.99Å; F283-F296 HydrophobicContact CB-CE2 4.04Å; F283-F296 HydrophobicContact CD2-CE2 4.09Å; F283-F296 HydrophobicContact CG-CE2 4.1Å; P294-F296 PolarHBondContact O-N 3.16Å; F296-F298 HydrophobicContact CB-CD2 3.44Å; F296-F298 VanDerWaalsContact CB-CD2 3.44Å; F296-F298 HydrophobicContact CB-CE1 4.28Å; F296-F298 HydrophobicContact CB-CE2 3.06Å; F296-F298 HydrophobicContact CB-CG 4.25Å; F296-F298 HydrophobicContact CB-CZ 3.53Å; F296-F298 HydrophobicContact CD1-CE2 4.25Å; F296-F298 AromaticContact CD1-CZ 3.91Å; F296-F298 HydrophobicContact CD1-CZ 3.91Å; F296-F298 AromaticContact CD2-CE2 3.9Å; F296-F298 HydrophobicContact CD2-CE2 3.9Å; F296-F298 HydrophobicContact CD2-CZ 4.21Å; F296-F298 HydrophobicContact CG-CD2 4.37Å; F296-F298 AromaticContact CG-CE2 3.51Å; F296-F298 HydrophobicContact CG-CE2 3.51Å; F296-F298 AromaticContact CG-CZ 3.64Å; F296-F298 HydrophobicContact CG-CZ 3.64Å; F296-F298 PolarHBondContact O-N 3.37Å
297	C	63.8	Low	61.6	Low	48 Å²	48	86.2 Å²	86.2	32%	0.324	43%	0.426	S	S	.	.			trans	-88.7	92.6	171.4	-58.7	0	0	0	0	109.1
298	F	61.6	Low	59.9	Low	56 Å²	56	87.1 Å²	87.1	25%	0.246	43%	0.434	C	S	.	.			trans	-95.5	-7.9	178.5	-66.2	-72.3	0	0	0	114.1	I215 I284 F296	I215-F298 HydrophobicContact CB-CE1 4.38Å; I215-F298 HydrophobicContact CD1-CE1 4.09Å; I215-F298 HydrophobicContact CD1-CZ 4.36Å; I215-F298 HydrophobicContact CG2-CD1 4.15Å; I215-F298 HydrophobicContact CG2-CE1 3.83Å; I284-F298 HydrophobicContact CD1-CD1 4.35Å; I284-F298 HydrophobicContact CD1-CD2 3.96Å; I284-F298 HydrophobicContact CD1-CE1 4.23Å; I284-F298 HydrophobicContact CD1-CE2 3.75Å; I284-F298 HydrophobicContact CD1-CG 4.22Å; I284-F298 HydrophobicContact CD1-CZ 3.91Å; I284-F298 HydrophobicContact CG1-CD2 3.33Å; I284-F298 HydrophobicContact CG1-CE2 3.18Å; I284-F298 HydrophobicContact CG1-CG 4.03Å; I284-F298 HydrophobicContact CG1-CZ 3.86Å; F296-F298 HydrophobicContact CB-CD2 3.44Å; F296-F298 VanDerWaalsContact CB-CD2 3.44Å; F296-F298 HydrophobicContact CB-CE1 4.28Å; F296-F298 HydrophobicContact CB-CE2 3.06Å; F296-F298 HydrophobicContact CB-CG 4.25Å; F296-F298 HydrophobicContact CB-CZ 3.53Å; F296-F298 HydrophobicContact CD1-CE2 4.25Å; F296-F298 AromaticContact CD1-CZ 3.91Å; F296-F298 HydrophobicContact CD1-CZ 3.91Å; F296-F298 AromaticContact CD2-CE2 3.9Å; F296-F298 HydrophobicContact CD2-CE2 3.9Å; F296-F298 HydrophobicContact CD2-CZ 4.21Å; F296-F298 HydrophobicContact CG-CD2 4.37Å; F296-F298 AromaticContact CG-CE2 3.51Å; F296-F298 HydrophobicContact CG-CE2 3.51Å; F296-F298 AromaticContact CG-CZ 3.64Å; F296-F298 HydrophobicContact CG-CZ 3.64Å; F296-F298 PolarHBondContact O-N 3.37Å
299	D	53.4	Low	58.1	Low	143 Å²	143	94.4 Å²	94.4	77%	0.765	47%	0.472	S	S	*	.	S	Bend	trans	-83.2	-23.1	-173.7	-122.7	-18.2	0	0	0	113	H301	D299-H301 PolarHBondContact O-N 3.27Å
300	V	46.3	Very low	56.2	Low	114 Å²	114	96 Å²	96	69%	0.691	50%	0.501	S	S	*	.			trans	-88.1	87.8	175.7	-172.9	0	0	0	0	109.3
301	H	41.8	Very low	54.4	Low	147 Å²	147	103.1 Å²	103.1	68%	0.681	54%	0.54	S	S	*	.			trans	-63.5	147	153.8	-69.2	69.4	0	0	0	108.3	D299 D303	D299-H301 PolarHBondContact O-N 3.27Å; H301-D303 PolarHBondContact O-N 3.2Å
302	D	36.5	Very low	53	Low	115 Å²	115	108.5 Å²	108.5	62%	0.615	57%	0.573	S	S	*	*			trans	-69.2	70.6	172.3	-93.1	-52.9	0	0	0	109.7	V304 K314	D302-V304 HydrophobicContact CB-CG2 3.89Å; D302-V304 PolarHBondContact O-N 2.92Å; D302-K314 IonicContact OD1-NZ 2.78Å; D302-K314 PolarHBondContact OD1-NZ 3.09Å; D302-K314 IonicContact OD2-NZ 3.83Å
303	D	34.2	Very low	51.3	Low	108 Å²	108	114.5 Å²	114.5	58%	0.578	60%	0.597	S	S	*	*			trans	-71	67.5	159.8	-172.1	46.5	0	0	0	108.1	H301 R305	H301-D303 PolarHBondContact O-N 3.2Å; D303-R305 PolarHBondContact O-N 3.35Å; D303-R305 IonicContact OD2-CZ 3.09Å; D303-R305 VanDerWaalsContact OD2-CZ 3.28Å; D303-R305 IonicContact OD2-NE 2.6Å; D303-R305 PolarHBondContact OD2-NE 3.3Å; D303-R305 IonicContact OD2-NH2 3.93Å; D303-R305 PolarHBondContact OD2-NH2 3.12Å
304	V	43	Very low	50	Low	102 Å²	102	121.2 Å²	121.2	62%	0.618	62%	0.623	S	S	*	*			trans	-70.4	74.6	175.1	178.3	0	0	0	0	107.3	D302 I306	D302-V304 HydrophobicContact CB-CG2 3.89Å; D302-V304 PolarHBondContact O-N 2.92Å; V304-I306 VanDerWaalsContact O-CG1 3.31Å; V304-I306 WeakPolarHBondContact O-CG1 3.16Å; V304-I306 PolarHBondContact O-N 2.93Å
305	R	43	Very low	48.4	Very low	190 Å²	190	125.7 Å²	125.7	72%	0.717	64%	0.639	S	S	*	*			trans	-67.1	104.7	-179.7	-160.3	173.1	-62.6	179.4	2.5	107.4	D303 R307	D303-R305 PolarHBondContact O-N 3.35Å; D303-R305 IonicContact OD2-CZ 3.09Å; D303-R305 VanDerWaalsContact OD2-CZ 3.28Å; D303-R305 IonicContact OD2-NE 2.6Å; D303-R305 PolarHBondContact OD2-NE 3.3Å; D303-R305 IonicContact OD2-NH2 3.93Å; D303-R305 PolarHBondContact OD2-NH2 3.12Å; R305-R307 PolarHBondContact O-N 3.15Å
306	I	44.3	Very low	47.1	Very low	163 Å²	163	131.1 Å²	131.1	84%	0.836	67%	0.665	S	S	*	*	S	Bend	trans	-69.4	75.4	-166.1	-48.6	176.4	0	0	0	111.3	V304	V304-I306 VanDerWaalsContact O-CG1 3.31Å; V304-I306 WeakPolarHBondContact O-CG1 3.16Å; V304-I306 PolarHBondContact O-N 2.93Å
307	R	41.4	Very low	46.5	Very low	226 Å²	226	131.7 Å²	131.7	85%	0.853	67%	0.672	S	S	*	*	S	Bend	trans	-147.1	148.9	170.7	-64.3	-167.3	-178	-169.8	0.6	109.8	R305 D309	R305-R307 PolarHBondContact O-N 3.15Å; R307-D309 PolarHBondContact O-N 3.12Å
308	M	46.6	Very low	47	Very low	183 Å²	183	135.1 Å²	135.1	90%	0.901	68%	0.683	S	S	*	*	S	Bend	trans	-69.4	110.7	171.8	-60.4	-69.2	-172.4	0	0	109
309	D	43.7	Very low	48.1	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	68%	0.682	S	S	*	*			trans	-171.9	124.7	144.8	-94.6	-31.1	0	0	0	109.3	R307 N311	R307-D309 PolarHBondContact O-N 3.12Å; D309-N311 PolarHBondContact O-N 2.94Å
310	A	40	Very low	49.9	Very low	109 Å²	109	126.9 Å²	126.9	90%	0.901	65%	0.646	S	S	*	*			trans	-96.4	85.5	-168	0	0	0	0	0	112
311	N	43	Very low	52.1	Low	151 Å²	151	124 Å²	124	81%	0.807	62%	0.624	S	S	*	*			trans	-148.5	27.9	175.5	-137.2	-2.1	0	0	0	115	D309	D309-N311 PolarHBondContact O-N 2.94Å
312	V	46.5	Very low	54.6	Low	126 Å²	126	117 Å²	117	76%	0.764	59%	0.591	S	S	*	*			trans	-101.9	100.4	164.8	-179.6	0	0	0	0	107.5	K314	V312-K314 PolarHBondContact O-N 2.7Å
313	E	38.9	Very low	57.3	Low	168 Å²	168	111.5 Å²	111.5	79%	0.785	56%	0.562	S	S	*	*			trans	-63	116.5	170.2	-65.9	-171.9	139.6	0	0	108.9	E315	E313-E315 VanDerWaalsContact C-N 3.29Å; E313-E315 PolarHBondContact O-N 3.45Å
314	K	47.5	Very low	60.1	Low	151 Å²	151	107.4 Å²	107.4	66%	0.657	54%	0.54	S	S	*	.			trans	-72.4	90.9	166.4	-74.2	-158.3	169.5	-154	0	107.9	D302 V312 E316	D302-K314 IonicContact OD1-NZ 2.78Å; D302-K314 PolarHBondContact OD1-NZ 3.09Å; D302-K314 IonicContact OD2-NZ 3.83Å; V312-K314 PolarHBondContact O-N 2.7Å; K314-E316 PolarHBondContact O-N 2.65Å
315	E	46.6	Very low	62.5	Low	147 Å²	147	106.9 Å²	106.9	69%	0.687	53%	0.527	S	S	*	.			trans	-62.8	76.3	162.4	-77.9	-159.2	131.8	0	0	109.5	E313 S317	E313-E315 VanDerWaalsContact C-N 3.29Å; E313-E315 PolarHBondContact O-N 3.45Å; E315-S317 PolarHBondContact O-N 3.02Å
316	E	50.6	Low	64.9	Low	116 Å²	116	100.9 Å²	100.9	54%	0.542	51%	0.514	S	S	.	.			trans	-74.7	77.6	-176.6	-165.4	-175.8	139.6	0	0	109.8	R228 K314 H318	R228-E316 IonicContact CZ-OE1 3.38Å; R228-E316 IonicContact NH1-OE1 2.76Å; R228-E316 PolarHBondContact NH1-OE1 3.03Å; R228-E316 IonicContact NH2-OE1 3.7Å; R228-E316 PolarHBondContact NH2-OE1 2.9Å; K314-E316 PolarHBondContact O-N 2.65Å; E316-H318 PolarHBondContact O-N 2.93Å
317	S	63.9	Low	67.2	Low	40 Å²	40	94.5 Å²	94.5	28%	0.28	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-46.8	126.9	-175.5	78.7	0	0	0	0	110.6	K269 E315 A319	K269-S317 PolarHBondContact NZ-OG 2.61Å; E315-S317 PolarHBondContact O-N 3.02Å; S317-A319 PolarHBondContact O-N 3.43Å
318	H	74.2	Confident	69.6	Low	120 Å²	120	85.7 Å²	85.7	56%	0.556	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.6	141.5	-156.2	-63.7	-61	0	0	0	112.6	K269 E270 E316 G320	K269-H318 WeakPolarHBondContact CD-O 3.29Å; K269-H318 WeakPolarHBondContact CE-O 3.49Å; K269-H318 PolarHBondContact NZ-O 3.44Å; E270-H318 IonicContact OE1-CD2 2.55Å; E270-H318 PolarHBondContact OE1-N 3.28Å; E270-H318 IonicContact OE2-CD2 2.8Å; E270-H318 PolarHBondContact OE2-CD2 2.85Å; E316-H318 PolarHBondContact O-N 2.93Å; H318-G320 PolarHBondContact O-N 3.18Å; H318-G320 VanDerWaalsContact O-N 3.1Å
319	A	85.6	Confident	71.9	Confident	26 Å²	26	82 Å²	82	22%	0.215	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-57.8	119.7	179.6	0	0	0	0	0	110.2	T218 S317 K321	T218-A319 HydrophobicContact CG2-CB 4.15Å; S317-A319 PolarHBondContact O-N 3.43Å; A319-K321 PolarHBondContact O-N 2.82Å
320	G	90.4	Very high	74.2	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.01	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.8	-174.3	0	0	0	0	0	111	T218 Y219 S220 I268 H318	T218-G320 PolarHBondContact O-N 2.79Å; Y219-G320 CarbonylContact C-O 3.59Å; Y219-G320 WeakPolarHBondContact CA-O 3.49Å; Y219-G320 VanDerWaalsContact CB-O 3.28Å; Y219-G320 WeakPolarHBondContact CB-O 3.26Å; S220-G320 PolarHBondContact N-O 3.26Å; I268-G320 CarbonylContact O-C 3.55Å; I268-G320 WeakPolarHBondContact O-CA 3.48Å; H318-G320 PolarHBondContact O-N 3.18Å; H318-G320 VanDerWaalsContact O-N 3.1Å
321	K	93.1	Very high	76.8	Confident	52 Å²	52	78.9 Å²	78.9	23%	0.226	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.2	-177.5	-62.7	169.7	-172.1	163.1	0	109.5	S220 W222 I268 A319 W340	S220-K321 CarbonylContact O-C 3.51Å; S220-K321 WeakPolarHBondContact O-CA 3.34Å; W222-K321 HydrophobicContact CB-CB 4.45Å; W222-K321 HydrophobicContact CE3-CD 4.46Å; I268-K321 HydrophobicContact CB-CB 4.36Å; I268-K321 PolarHBondContact N-O 3.25Å; I268-K321 PolarHBondContact O-N 2.93Å; A319-K321 PolarHBondContact O-N 2.82Å; K321-W340 HydrophobicContact CD-CH2 4.39Å; K321-W340 HydrophobicContact CD-CZ2 3.68Å
322	V	94.2	Very high	79.1	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.6	175.7	173.5	0	0	0	0	107.5	Y219 S220 Y221 W222 F242 L243 M265 M266 Y267	Y219-V322 HydrophobicContact CD2-CB 4.15Å; Y219-V322 HydrophobicContact CD2-CG2 3.69Å; Y219-V322 HydrophobicContact CE2-CG2 4.49Å; Y219-V322 HydrophobicContact CG-CG2 4.33Å; S220-V322 PolarHBondContact O-N 3.41Å; Y221-V322 CarbonylContact C-O 3.58Å; Y221-V322 WeakPolarHBondContact CA-O 3.37Å; Y221-V322 VanDerWaalsContact CD2-O 3.22Å; Y221-V322 WeakPolarHBondContact CD2-O 3.34Å; W222-V322 PolarHBondContact N-O 3.08Å; F242-V322 HydrophobicContact CE1-CG2 4.19Å; F242-V322 HydrophobicContact CZ-CG2 4.44Å; L243-V322 HydrophobicContact CD2-CG1 3.79Å; L243-V322 HydrophobicContact CD2-CG2 4.1Å; M265-V322 HydrophobicContact CE-CG1 3.59Å; M266-V322 WeakPolarHBondContact O-CA 3.29Å; Y267-V322 HydrophobicContact CD2-CG2 3.78Å; Y267-V322 HydrophobicContact CE2-CG2 4.37Å
323	C	93.1	Very high	81.2	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	162	179.5	68.9	0	0	0	0	111.6	W222 M265 M266 W327	W222-C323 HydrophobicContact CB-CB 4.35Å; W222-C323 VanDerWaalsContact O-CB 3.25Å; W222-C323 WeakPolarHBondContact O-CB 3.46Å; M265-C323 CarbonylContact C-O 3.48Å; M265-C323 WeakPolarHBondContact CA-O 3.4Å; M266-C323 PolarHBondContact N-O 3.21Å; M266-C323 PolarHBondContact O-N 3.01Å; M266-C323 VanDerWaalsContact O-N 3.13Å; C323-W327 HydrophobicContact CB-CE3 3.95Å
324	L	93.2	Very high	83.7	Confident	22 Å²	22	74 Å²	74	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.2	168.6	-75.6	165.2	0	0	0	110.8	L257 A260 Q264 M265 S326 W327 Y328	L257-L324 HydrophobicContact CD2-CD1 3.94Å; L257-L324 HydrophobicContact CD2-CD2 3.88Å; L257-L324 HydrophobicContact CD2-CG 3.92Å; A260-L324 HydrophobicContact CB-CD2 3.94Å; Q264-L324 HydrophobicContact CB-CD2 4.42Å; Q264-L324 CarbonylContact O-C 3.58Å; Q264-L324 WeakPolarHBondContact O-CA 3.41Å; M265-L324 HydrophobicContact SD-CD2 3.59Å; M265-L324 VanDerWaalsContact SD-CD2 3.59Å; M265-L324 HydrophobicContact SD-CG 3.96Å; L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.5Å; L324-W327 HydrophobicContact CB-CB 4.03Å; L324-W327 WeakPolarHBondContact O-CA 3.4Å; L324-W327 VanDerWaalsContact O-CB 3.31Å; L324-W327 WeakPolarHBondContact O-CB 3.25Å; L324-W327 PolarHBondContact O-N 3.24Å; L324-Y328 PolarHBondContact O-N 2.77Å
325	R	92.9	Very high	85.6	Confident	91 Å²	91	74.7 Å²	74.7	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-57.4	-43.2	172.5	-178.8	178.3	-53.2	-71.3	-8.8	111.8	D263 Q264 M266 W327 Y328 E329	D263-R325 PolarHBondContact O-NH2 2.77Å; Q264-R325 WeakPolarHBondContact O-CB 3.34Å; Q264-R325 PolarHBondContact O-N 3.19Å; M266-R325 HydrophobicContact CG-CB 4.26Å; M266-R325 HydrophobicContact SD-CB 3.89Å; M266-R325 HydrophobicContact SD-CG 3.98Å; R325-W327 PolarHBondContact O-N 3.45Å; R325-Y328 PolarHBondContact O-N 3.41Å; R325-E329 WeakPolarHBondContact CD-OE1 3.43Å; R325-E329 HydrophobicContact CG-CG 4.43Å; R325-E329 WeakPolarHBondContact CG-OE1 3.44Å; R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 WeakPolarHBondContact O-CG 3.36Å; R325-E329 PolarHBondContact O-N 3.37Å
326	S	92.6	Very high	87.6	Confident	64 Å²	64	68.7 Å²	68.7	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-19.1	174.8	58.9	0	0	0	0	113.7	L324 R330	L324-S326 VanDerWaalsContact C-N 3.3Å; L324-S326 PolarHBondContact O-N 3.5Å; S326-R330 PolarHBondContact O-NE 3.26Å; S326-R330 PolarHBondContact O-NH2 2.91Å
327	W	92.1	Very high	89.5	Confident	29 Å²	29	63.2 Å²	63.2	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-77.6	-51	166.9	-177.9	98.5	0	0	0	109.8	W222 D223 C323 L324 R325 E329 R330 N331 A337 W340	W222-W327 AromaticContact CD1-CH2 3.38Å; W222-W327 AromaticContact CD1-CZ2 3.58Å; W222-W327 AromaticContact CD1-CZ3 3.69Å; W222-W327 AromaticContact NE1-CH2 3.13Å; W222-W327 AromaticContact NE1-CZ2 3.32Å; W222-W327 VanDerWaalsContact NE1-CZ2 3.32Å; W222-W327 AromaticContact NE1-CZ3 3.89Å; D223-W327 PolarHBondContact O-NE1 3.01Å; C323-W327 HydrophobicContact CB-CE3 3.95Å; L324-W327 HydrophobicContact CB-CB 4.03Å; L324-W327 WeakPolarHBondContact O-CA 3.4Å; L324-W327 VanDerWaalsContact O-CB 3.31Å; L324-W327 WeakPolarHBondContact O-CB 3.25Å; L324-W327 PolarHBondContact O-N 3.24Å; R325-W327 PolarHBondContact O-N 3.45Å; W327-E329 PolarHBondContact O-N 3.16Å; W327-R330 PolarHBondContact O-N 3.25Å; W327-N331 HydrophobicContact CD2-CB 4.15Å; W327-N331 HydrophobicContact CE3-CB 4.18Å; W327-N331 HydrophobicContact CH2-CB 3.69Å; W327-N331 HydrophobicContact CZ2-CB 3.72Å; W327-N331 HydrophobicContact CZ3-CB 3.95Å; W327-N331 WeakPolarHBondContact O-CB 3.36Å; W327-N331 PolarHBondContact O-N 2.79Å; W327-N331 PolarHBondContact O-OD1 3.46Å; W327-A337 HydrophobicContact CH2-CB 4.15Å; W327-A337 HydrophobicContact CZ3-CB 4Å; W327-W340 HydrophobicContact CH2-CH2 4.46Å; W327-W340 AromaticContact CZ3-CH2 3.9Å; W327-W340 HydrophobicContact CZ3-CH2 3.9Å; W327-W340 AromaticContact CZ3-CZ3 3.91Å; W327-W340 HydrophobicContact CZ3-CZ3 3.91Å
328	Y	93.4	Very high	90.7	Very high	42 Å²	42	64.6 Å²	64.6	17%	0.165	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-45.9	-180	175	-113	0	0	0	112.5	M266 I273 L324 R325 R330 N331 K332 A337 W340	M266-Y328 HydrophobicContact CE-CD1 3.65Å; M266-Y328 HydrophobicContact CE-CE1 4.01Å; M266-Y328 HydrophobicContact CE-CG 4.2Å; M266-Y328 HydrophobicContact SD-CD1 3.89Å; M266-Y328 HydrophobicContact SD-CG 4.28Å; I273-Y328 HydrophobicContact CD1-CE1 4Å; I273-Y328 HydrophobicContact CD1-CE2 4.23Å; L324-Y328 PolarHBondContact O-N 2.77Å; R325-Y328 PolarHBondContact O-N 3.41Å; Y328-R330 VanDerWaalsContact C-N 3.27Å; Y328-R330 PolarHBondContact O-N 3.11Å; Y328-N331 PolarHBondContact O-N 3.44Å; Y328-N331 VanDerWaalsContact O-N 3.16Å; Y328-K332 HydrophobicContact CD2-CB 4.23Å; Y328-K332 HydrophobicContact CE2-CB 3.82Å; Y328-K332 WeakPolarHBondContact O-CA 3.31Å; Y328-K332 WeakPolarHBondContact O-CB 3.45Å; Y328-K332 PolarHBondContact O-N 3.34Å; Y328-A337 HydrophobicContact CD2-CB 4.26Å; Y328-A337 HydrophobicContact CE2-CB 4.38Å; Y328-W340 AromaticContact CD2-CE3 3.58Å; Y328-W340 HydrophobicContact CD2-CE3 3.58Å; Y328-W340 AromaticContact CD2-CZ3 3.89Å; Y328-W340 HydrophobicContact CD2-CZ3 3.89Å; Y328-W340 HydrophobicContact CE2-CB 4.3Å; Y328-W340 AromaticContact CE2-CE3 3.71Å; Y328-W340 HydrophobicContact CE2-CE3 3.71Å; Y328-W340 HydrophobicContact CE2-CZ3 4.46Å
329	E	93.5	Very high	91.5	Very high	106 Å²	106	62.4 Å²	62.4	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-31.8	-178.1	-75.4	167.6	-173.8	0	0	113.6	R325 W327 K332	R325-E329 WeakPolarHBondContact CD-OE1 3.43Å; R325-E329 HydrophobicContact CG-CG 4.43Å; R325-E329 WeakPolarHBondContact CG-OE1 3.44Å; R325-E329 WeakPolarHBondContact O-CB 3.22Å; R325-E329 WeakPolarHBondContact O-CG 3.36Å; R325-E329 PolarHBondContact O-N 3.37Å; W327-E329 PolarHBondContact O-N 3.16Å; E329-K332 WeakPolarHBondContact O-CE 3.5Å
330	R	93.6	Very high	91.8	Very high	163 Å²	163	61.7 Å²	61.7	62%	0.615	29%	0.287	S	S	*	.	H	α-helix	trans	-75.2	-47.9	171.2	-72.1	-178.4	-71.4	162.6	0.4	111.2	S326 W327 Y328 H333	S326-R330 PolarHBondContact O-NE 3.26Å; S326-R330 PolarHBondContact O-NH2 2.91Å; W327-R330 PolarHBondContact O-N 3.25Å; Y328-R330 VanDerWaalsContact C-N 3.27Å; Y328-R330 PolarHBondContact O-N 3.11Å; R330-H333 PolarHBondContact O-CE1 2.85Å; R330-H333 PolarHBondContact O-ND1 2.9Å
331	N	93	Very high	91.8	Very high	42 Å²	42	64.9 Å²	64.9	23%	0.225	30%	0.301	C	S	.	.	H	α-helix	trans	-93	-5.1	-166.6	-69.2	58.2	0	0	0	114.9	W327 Y328 H333 I334	W327-N331 HydrophobicContact CD2-CB 4.15Å; W327-N331 HydrophobicContact CE3-CB 4.18Å; W327-N331 HydrophobicContact CH2-CB 3.69Å; W327-N331 HydrophobicContact CZ2-CB 3.72Å; W327-N331 HydrophobicContact CZ3-CB 3.95Å; W327-N331 WeakPolarHBondContact O-CB 3.36Å; W327-N331 PolarHBondContact O-N 2.79Å; W327-N331 PolarHBondContact O-OD1 3.46Å; Y328-N331 PolarHBondContact O-N 3.44Å; Y328-N331 VanDerWaalsContact O-N 3.16Å; N331-H333 PolarHBondContact O-N 3.35Å; N331-I334 WeakPolarHBondContact O-CB 3.37Å; N331-I334 PolarHBondContact O-N 3.08Å
332	K	91.9	Very high	91.8	Very high	115 Å²	115	67.1 Å²	67.1	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-14	-179.3	62.9	-179.3	178.3	-176.7	0	116.4	Y328 E329 S338	Y328-K332 HydrophobicContact CD2-CB 4.23Å; Y328-K332 HydrophobicContact CE2-CB 3.82Å; Y328-K332 WeakPolarHBondContact O-CA 3.31Å; Y328-K332 WeakPolarHBondContact O-CB 3.45Å; Y328-K332 PolarHBondContact O-N 3.34Å; E329-K332 WeakPolarHBondContact O-CE 3.5Å; K332-S338 WeakPolarHBondContact O-CA 3.44Å; K332-S338 WeakPolarHBondContact O-CB 3.39Å; K332-S338 PolarHBondContact O-N 3.42Å
333	H	91.6	Very high	91.7	Very high	146 Å²	146	68.1 Å²	68.1	68%	0.676	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9	175.2	67.1	-84.7	0	0	0	112.8	R330 N331	R330-H333 PolarHBondContact O-CE1 2.85Å; R330-H333 PolarHBondContact O-ND1 2.9Å; N331-H333 PolarHBondContact O-N 3.35Å
334	I	91.7	Very high	91.5	Very high	82 Å²	82	71.7 Å²	71.7	42%	0.421	34%	0.344	S	S	.	.	S	Bend	trans	-105.7	141.2	-176.6	-46.1	179.2	0	0	0	108.9	N331 A337 S338	N331-I334 WeakPolarHBondContact O-CB 3.37Å; N331-I334 PolarHBondContact O-N 3.08Å; I334-A337 PolarHBondContact O-N 3.32Å; I334-S338 PolarHBondContact O-N 2.8Å
335	F	86.8	Confident	91.1	Very high	164 Å²	164	74.1 Å²	74.1	72%	0.719	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	137.6	171.1	-178.6	-92.9	0	0	0	110.5
336	P	88.7	Confident	90.7	Very high	21 Å²	21	73.7 Å²	73.7	14%	0.136	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.3	-9.2	6.2	35.3	-36.9	0	0	0	115.3	W222 S338 R339 W340	W222-P336 HydrophobicContact CZ2-CG 4Å; P336-S338 PolarHBondContact O-N 3.24Å; P336-S338 VanDerWaalsContact O-N 3.17Å; P336-R339 PolarHBondContact O-N 3.32Å; P336-W340 HydrophobicContact CG-CZ2 4.17Å; P336-W340 PolarHBondContact O-NE1 3.19Å
337	A	89.7	Confident	90.1	Very high	1 Å²	1	74.9 Å²	74.9	1%	0.008	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.8	-28.9	-173	0	0	0	0	0	113.5	W327 Y328 I334 R339 W340	W327-A337 HydrophobicContact CH2-CB 4.15Å; W327-A337 HydrophobicContact CZ3-CB 4Å; Y328-A337 HydrophobicContact CD2-CB 4.26Å; Y328-A337 HydrophobicContact CE2-CB 4.38Å; I334-A337 PolarHBondContact O-N 3.32Å; A337-R339 PolarHBondContact O-N 3.25Å; A337-W340 HydrophobicContact CB-CD2 4.31Å; A337-W340 HydrophobicContact CB-CE3 4.05Å; A337-W340 HydrophobicContact CB-CH2 4.22Å; A337-W340 HydrophobicContact CB-CZ2 4.47Å; A337-W340 HydrophobicContact CB-CZ3 4.02Å; A337-W340 WeakPolarHBondContact O-CB 3.47Å; A337-W340 PolarHBondContact O-N 3.45Å; A337-W340 VanDerWaalsContact O-N 3.15Å
338	S	90.5	Very high	89.2	Confident	69 Å²	69	80.5 Å²	80.5	48%	0.483	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-65	-11.9	174.2	58.2	0	0	0	0	115.7	K332 I334 P336	K332-S338 WeakPolarHBondContact O-CA 3.44Å; K332-S338 WeakPolarHBondContact O-CB 3.39Å; K332-S338 PolarHBondContact O-N 3.42Å; I334-S338 PolarHBondContact O-N 2.8Å; P336-S338 PolarHBondContact O-N 3.24Å; P336-S338 VanDerWaalsContact O-N 3.17Å
339	R	89.8	Confident	88.1	Confident	75 Å²	75	79.5 Å²	79.5	28%	0.283	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-92	-7.9	174.5	-174	167.3	149.7	99.1	1.4	112.8	D271 K291 P336 A337 E341 Y352	D271-R339 HydrophobicContact CB-CG 4.06Å; D271-R339 WeakPolarHBondContact OD2-CD 3.47Å; D271-R339 IonicContact OD2-CZ 2.82Å; D271-R339 IonicContact OD2-NE 2.73Å; D271-R339 PolarHBondContact OD2-NE 2.9Å; D271-R339 IonicContact OD2-NH2 3.75Å; K291-R339 PolarHBondContact NZ-O 3.46Å; P336-R339 PolarHBondContact O-N 3.32Å; A337-R339 PolarHBondContact O-N 3.25Å; R339-E341 PolarHBondContact O-N 3.48Å; R339-Y352 PolarHBondContact NH1-OH 2.89Å
340	W	92.2	Very high	86.7	Confident	11 Å²	11	79.6 Å²	79.6	4%	0.042	41%	0.406	C	S	.	.			trans	-80.6	120.2	-171.3	-59.4	-11.7	0	0	0	112.4	I268 D271 I273 K321 W327 Y328 P336 A337	I268-W340 HydrophobicContact CB-CD2 4.47Å; I268-W340 HydrophobicContact CD1-CE3 3.97Å; I268-W340 HydrophobicContact CD1-CH2 4.4Å; I268-W340 HydrophobicContact CD1-CZ3 3.82Å; I268-W340 HydrophobicContact CG1-CD2 4.09Å; I268-W340 HydrophobicContact CG1-CE3 3.79Å; I268-W340 HydrophobicContact CG1-CZ3 4.14Å; I268-W340 HydrophobicContact CG2-CB 4.49Å; I268-W340 HydrophobicContact CG2-CD2 3.87Å; I268-W340 HydrophobicContact CG2-CE3 4.44Å; I268-W340 HydrophobicContact CG2-CG 3.87Å; D271-W340 WeakPolarHBondContact O-CA 3.41Å; D271-W340 VanDerWaalsContact OD1-CD1 3.25Å; D271-W340 PolarHBondContact OD1-NE1 2.86Å; D271-W340 VanDerWaalsContact OD1-NE1 3.08Å; I273-W340 HydrophobicContact CD1-CB 3.92Å; I273-W340 HydrophobicContact CG1-CB 3.85Å; K321-W340 HydrophobicContact CD-CH2 4.39Å; K321-W340 HydrophobicContact CD-CZ2 3.68Å; W327-W340 HydrophobicContact CH2-CH2 4.46Å; W327-W340 AromaticContact CZ3-CH2 3.9Å; W327-W340 HydrophobicContact CZ3-CH2 3.9Å; W327-W340 AromaticContact CZ3-CZ3 3.91Å; W327-W340 HydrophobicContact CZ3-CZ3 3.91Å; Y328-W340 AromaticContact CD2-CE3 3.58Å; Y328-W340 HydrophobicContact CD2-CE3 3.58Å; Y328-W340 AromaticContact CD2-CZ3 3.89Å; Y328-W340 HydrophobicContact CD2-CZ3 3.89Å; Y328-W340 HydrophobicContact CE2-CB 4.3Å; Y328-W340 AromaticContact CE2-CE3 3.71Å; Y328-W340 HydrophobicContact CE2-CE3 3.71Å; Y328-W340 HydrophobicContact CE2-CZ3 4.46Å; P336-W340 HydrophobicContact CG-CZ2 4.17Å; P336-W340 PolarHBondContact O-NE1 3.19Å; A337-W340 HydrophobicContact CB-CD2 4.31Å; A337-W340 HydrophobicContact CB-CE3 4.05Å; A337-W340 HydrophobicContact CB-CH2 4.22Å; A337-W340 HydrophobicContact CB-CZ2 4.47Å; A337-W340 HydrophobicContact CB-CZ3 4.02Å; A337-W340 WeakPolarHBondContact O-CB 3.47Å; A337-W340 PolarHBondContact O-N 3.45Å; A337-W340 VanDerWaalsContact O-N 3.15Å
341	E	91.1	Very high	84.7	Confident	68 Å²	68	80.4 Å²	80.4	32%	0.318	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.4	175.7	-82.3	167.6	-130.6	0	0	110.7	D271 L272 I273 K291 R339 Y343 K347	D271-E341 PolarHBondContact O-N 2.9Å; D271-E341 VanDerWaalsContact O-N 3.08Å; L272-E341 CarbonylContact C-O 3.51Å; L272-E341 VanDerWaalsContact CA-O 3.31Å; L272-E341 WeakPolarHBondContact CA-O 3.31Å; L272-E341 HydrophobicContact CD2-CB 4.04Å; I273-E341 PolarHBondContact N-O 3.4Å; K291-E341 VanDerWaalsContact CE-CD 3.48Å; K291-E341 WeakPolarHBondContact CE-OE1 3.39Å; K291-E341 IonicContact NZ-OE1 3.28Å; K291-E341 PolarHBondContact NZ-OE1 2.78Å; K291-E341 IonicContact NZ-OE2 2.68Å; R339-E341 PolarHBondContact O-N 3.48Å; E341-Y343 PolarHBondContact O-N 3.47Å; E341-K347 IonicContact OE2-NZ 3.11Å; E341-K347 PolarHBondContact OE2-NZ 2.78Å
342	P	92.2	Very high	82.6	Confident	98 Å²	98	83.3 Å²	83.3	64%	0.636	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	137.8	164.5	-22.8	34.5	0	0	0	111.4	D344	P342-D344 PolarHBondContact O-N 3.27Å
343	Y	91.3	Very high	80.5	Confident	21 Å²	21	82.4 Å²	82.4	8%	0.082	43%	0.429	C	S	.	.			trans	-66.8	122.8	171.5	178.3	-93.2	0	0	0	110.4	L272 I273 Y278 F283 A288 L295 E341 P345 W349	L272-Y343 HydrophobicContact CB-CD2 4.47Å; L272-Y343 HydrophobicContact CD1-CD2 3.88Å; L272-Y343 HydrophobicContact CD1-CE2 4.5Å; I273-Y343 WeakPolarHBondContact O-CB 3.17Å; I273-Y343 PolarHBondContact O-N 2.97Å; Y278-Y343 HydrophobicContact CE2-CD1 4.03Å; Y278-Y343 HydrophobicContact CE2-CE1 4.39Å; F283-Y343 HydrophobicContact CD1-CE2 4.42Å; F283-Y343 HydrophobicContact CE1-CD1 4.09Å; F283-Y343 HydrophobicContact CE1-CD2 4.41Å; F283-Y343 AromaticContact CE1-CE1 3.71Å; F283-Y343 HydrophobicContact CE1-CE1 3.71Å; F283-Y343 HydrophobicContact CE1-CE2 4.09Å; F283-Y343 HydrophobicContact CE1-CG 4.42Å; F283-Y343 AromaticContact CE1-CZ 3.72Å; A288-Y343 HydrophobicContact CB-CE2 4.25Å; A288-Y343 WeakPolarHBondContact CB-OH 3.41Å; L295-Y343 HydrophobicContact CD1-CD2 3.97Å; L295-Y343 HydrophobicContact CD1-CE2 3.7Å; E341-Y343 PolarHBondContact O-N 3.47Å; Y343-P345 HydrophobicContact CE1-CB 3.89Å; Y343-P345 HydrophobicContact CE1-CG 4.47Å; Y343-W349 HydrophobicContact CE2-CZ3 4.35Å
344	D	89.2	Confident	78.4	Confident	76 Å²	76	79.3 Å²	79.3	41%	0.406	42%	0.42	S	S	.	.			trans	-119.5	115.6	174	176.1	1.3	0	0	0	108.6	P342 A346 K347	P342-D344 PolarHBondContact O-N 3.27Å; D344-A346 PolarHBondContact O-N 3.01Å; D344-A346 WeakPolarHBondContact OD1-CB 3.34Å; D344-A346 PolarHBondContact OD1-N 3.38Å; D344-K347 HydrophobicContact CB-CB 4.2Å; D344-K347 PolarHBondContact O-N 2.76Å
345	P	85.7	Confident	76.1	Confident	72 Å²	72	79.2 Å²	79.2	47%	0.468	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.1	-179	30.3	-36.8	0	0	0	114.2	Y343 K347	Y343-P345 HydrophobicContact CE1-CB 3.89Å; Y343-P345 HydrophobicContact CE1-CG 4.47Å; P345-K347 VanDerWaalsContact C-N 3.33Å
346	A	84.6	Confident	74	Confident	82 Å²	82	75.4 Å²	75.4	68%	0.678	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.6	175.4	0	0	0	0	0	113.1	D344	D344-A346 PolarHBondContact O-N 3.01Å; D344-A346 WeakPolarHBondContact OD1-CB 3.34Å; D344-A346 PolarHBondContact OD1-N 3.38Å
347	K	80.3	Confident	72.3	Confident	89 Å²	89	83.7 Å²	83.7	39%	0.387	45%	0.448	S	S	.	.			trans	-96	111.8	-173.1	-171.1	168	178.4	177.7	0	110.5	E341 D344 P345 W349	E341-K347 IonicContact OE2-NZ 3.11Å; E341-K347 PolarHBondContact OE2-NZ 2.78Å; D344-K347 HydrophobicContact CB-CB 4.2Å; D344-K347 PolarHBondContact O-N 2.76Å; P345-K347 VanDerWaalsContact C-N 3.33Å; K347-W349 HydrophobicContact CB-CH2 3.87Å; K347-W349 HydrophobicContact CB-CZ2 4.13Å; K347-W349 HydrophobicContact CB-CZ3 4.13Å; K347-W349 HydrophobicContact CD-CH2 4.1Å; K347-W349 HydrophobicContact CD-CZ2 3.54Å; K347-W349 HydrophobicContact CG-CD2 4.35Å; K347-W349 HydrophobicContact CG-CH2 4.06Å; K347-W349 HydrophobicContact CG-CZ2 3.79Å; K347-W349 HydrophobicContact CG-CZ3 4.46Å; K347-W349 WeakPolarHBondContact O-CZ3 2.93Å
348	N	72.2	Confident	70.2	Confident	147 Å²	147	92 Å²	92	79%	0.786	49%	0.489	S	S	*	.			trans	-92.7	114.1	178.8	-70.1	-25.4	0	0	0	111.4	D350	N348-D350 VanDerWaalsContact C-N 3.25Å; N348-D350 PolarHBondContact O-N 3.21Å
349	W	71.1	Confident	68.4	Low	22 Å²	22	92.2 Å²	92.2	8%	0.083	49%	0.49	C	S	.	.			trans	-86.8	23.7	177.3	-67.9	-88.7	0	0	0	114	L272 R289 G290 Y343 K347 H351 Y352	L272-W349 HydrophobicContact CD1-CD2 4.31Å; L272-W349 HydrophobicContact CD1-CE3 4.08Å; L272-W349 HydrophobicContact CD1-CH2 3.36Å; L272-W349 HydrophobicContact CD1-CZ2 3.6Å; L272-W349 HydrophobicContact CD1-CZ3 3.61Å; L272-W349 HydrophobicContact CD2-CH2 3.98Å; L272-W349 HydrophobicContact CD2-CZ2 3.5Å; L272-W349 VanDerWaalsContact CD2-CZ2 3.5Å; L272-W349 HydrophobicContact CG-CH2 4.35Å; L272-W349 HydrophobicContact CG-CZ2 4.22Å; R289-W349 PolarHBondContact NE-O 2.83Å; G290-W349 WeakPolarHBondContact O-CB 3.49Å; Y343-W349 HydrophobicContact CE2-CZ3 4.35Å; K347-W349 HydrophobicContact CB-CH2 3.87Å; K347-W349 HydrophobicContact CB-CZ2 4.13Å; K347-W349 HydrophobicContact CB-CZ3 4.13Å; K347-W349 HydrophobicContact CD-CH2 4.1Å; K347-W349 HydrophobicContact CD-CZ2 3.54Å; K347-W349 HydrophobicContact CG-CD2 4.35Å; K347-W349 HydrophobicContact CG-CH2 4.06Å; K347-W349 HydrophobicContact CG-CZ2 3.79Å; K347-W349 HydrophobicContact CG-CZ3 4.46Å; K347-W349 WeakPolarHBondContact O-CZ3 2.93Å; W349-H351 VanDerWaalsContact C-N 3.26Å; W349-H351 PolarHBondContact O-N 2.69Å; W349-Y352 PolarHBondContact O-N 2.94Å
350	D	63.2	Low	66.3	Low	107 Å²	107	92.9 Å²	92.9	57%	0.572	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.5	-167.4	-155.9	47.6	0	0	0	114.3	N348	N348-D350 VanDerWaalsContact C-N 3.25Å; N348-D350 PolarHBondContact O-N 3.21Å
351	H	52.8	Low	64.3	Low	181 Å²	181	101.6 Å²	101.6	84%	0.838	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-1	175.1	-64.2	-11	0	0	0	114.5	W349 T353	W349-H351 VanDerWaalsContact C-N 3.26Å; W349-H351 PolarHBondContact O-N 2.69Å; H351-T353 PolarHBondContact O-N 2.96Å
352	Y	47.7	Very low	62.5	Low	102 Å²	102	105.6 Å²	105.6	40%	0.4	57%	0.572	S	S	.	*			trans	-89.6	79.4	170.6	-152.1	-74.4	0	0	0	109.2	K291 R339 W349	K291-Y352 WeakPolarHBondContact O-CD1 3.26Å; K291-Y352 WeakPolarHBondContact O-CE1 3.07Å; R339-Y352 PolarHBondContact NH1-OH 2.89Å; W349-Y352 PolarHBondContact O-N 2.94Å
353	T	49	Very low	60.7	Low	97 Å²	97	106.7 Å²	106.7	60%	0.595	58%	0.577	S	S	*	*			trans	-71	146.6	148	50.7	0	0	0	0	108	H351 S355	H351-T353 PolarHBondContact O-N 2.96Å; T353-S355 VanDerWaalsContact C-N 3.26Å; T353-S355 PolarHBondContact O-N 2.9Å
354	V	47.7	Very low	58.9	Low	80 Å²	80	111.6 Å²	111.6	49%	0.485	61%	0.609	S	S	.	*			trans	-69.1	92.6	172.3	-178.9	0	0	0	0	107.7	S292 D356	S292-V354 WeakPolarHBondContact OG-CG2 3.49Å; V354-D356 PolarHBondContact O-N 3.02Å
355	S	43.4	Very low	57.2	Low	80 Å²	80	120.9 Å²	120.9	56%	0.559	65%	0.645	S	S	*	*			trans	-71.4	75.8	166.1	44.6	0	0	0	0	108.7	T353 K357	T353-S355 VanDerWaalsContact C-N 3.26Å; T353-S355 PolarHBondContact O-N 2.9Å; S355-K357 VanDerWaalsContact C-N 3.32Å; S355-K357 WeakPolarHBondContact O-CG 3.22Å; S355-K357 PolarHBondContact O-N 3.23Å
356	D	42.9	Very low	55.8	Low	84 Å²	84	123.3 Å²	123.3	45%	0.449	65%	0.654	S	S	.	*			trans	-58.2	101.4	158.6	175.1	9.3	0	0	0	107.3	V354 M358 S359	V354-D356 PolarHBondContact O-N 3.02Å; D356-M358 PolarHBondContact O-N 3.37Å; D356-M358 VanDerWaalsContact O-N 3.1Å; D356-M358 WeakPolarHBondContact OD1-CA 3.37Å; D356-M358 WeakPolarHBondContact OD1-CB 3.38Å; D356-M358 PolarHBondContact OD1-N 3.12Å; D356-S359 WeakPolarHBondContact O-CB 3.09Å; D356-S359 PolarHBondContact O-N 3.31Å; D356-S359 PolarHBondContact O-OG 3.29Å; D356-S359 PolarHBondContact OD1-N 3.32Å; D356-S359 PolarHBondContact OD2-N 3.36Å
357	K	51.1	Low	54.3	Low	196 Å²	196	125.5 Å²	125.5	85%	0.852	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-0.7	-178.4	-61.9	-174.2	-179.6	179.1	0	112.8	S355	S355-K357 VanDerWaalsContact C-N 3.32Å; S355-K357 WeakPolarHBondContact O-CG 3.22Å; S355-K357 PolarHBondContact O-N 3.23Å
358	M	47.3	Very low	52.8	Low	175 Å²	175	127.5 Å²	127.5	86%	0.862	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-7.6	172.1	-59	-172.8	179.7	0	0	112.8	D356 A360	D356-M358 PolarHBondContact O-N 3.37Å; D356-M358 VanDerWaalsContact O-N 3.1Å; D356-M358 WeakPolarHBondContact OD1-CA 3.37Å; D356-M358 WeakPolarHBondContact OD1-CB 3.38Å; D356-M358 PolarHBondContact OD1-N 3.12Å; M358-A360 PolarHBondContact O-N 2.91Å
359	S	51.4	Low	51.7	Low	73 Å²	73	126.4 Å²	126.4	51%	0.51	66%	0.661	S	S	.	*	S	Bend	trans	-64.6	122.6	173.7	64.5	0	0	0	0	110.4	D356 K361	D356-S359 WeakPolarHBondContact O-CB 3.09Å; D356-S359 PolarHBondContact O-N 3.31Å; D356-S359 PolarHBondContact O-OG 3.29Å; D356-S359 PolarHBondContact OD1-N 3.32Å; D356-S359 PolarHBondContact OD2-N 3.36Å; S359-K361 PolarHBondContact O-N 3.31Å
360	A	46.4	Very low	50.5	Low	89 Å²	89	132.9 Å²	132.9	74%	0.736	70%	0.697	S	S	*	*			trans	-71.3	113.3	-172.5	0	0	0	0	0	110.9	M358 I362	M358-A360 PolarHBondContact O-N 2.91Å; A360-I362 PolarHBondContact O-N 3.24Å
361	K	49.6	Very low	49.6	Very low	195 Å²	195	134.6 Å²	134.6	85%	0.848	71%	0.705	S	S	*	*			trans	-65.7	95.5	167.4	-81.8	-170.5	172.1	-174.3	0	109.9	S359 T363	S359-K361 PolarHBondContact O-N 3.31Å; K361-T363 VanDerWaalsContact C-N 3.26Å; K361-T363 PolarHBondContact O-N 3.04Å
362	I	54.4	Low	49.4	Very low	151 Å²	151	131.3 Å²	131.3	77%	0.774	70%	0.696	S	S	*	*			trans	-69	87.9	167.6	-57	177.9	0	0	0	107.7	A360 V364	A360-I362 PolarHBondContact O-N 3.24Å; I362-V364 HydrophobicContact CG2-CG2 4.25Å; I362-V364 PolarHBondContact O-N 3.41Å; I362-V364 VanDerWaalsContact O-N 3.14Å
363	T	53.5	Low	49.6	Very low	121 Å²	121	133.5 Å²	133.5	74%	0.742	72%	0.719	S	S	*	*			trans	-77.7	94.1	171	-49.7	0	0	0	0	108.4	K361	K361-T363 VanDerWaalsContact C-N 3.26Å; K361-T363 PolarHBondContact O-N 3.04Å
364	V	54.9	Low	49.6	Very low	124 Å²	124	136.6 Å²	136.6	75%	0.752	73%	0.729	S	S	*	*			trans	-63.2	137.7	164.3	-174.3	0	0	0	0	108	I362	I362-V364 HydrophobicContact CG2-CG2 4.25Å; I362-V364 PolarHBondContact O-N 3.41Å; I362-V364 VanDerWaalsContact O-N 3.14Å
365	K	53	Low	49.8	Very low	271 Å²	271	141.7 Å²	141.7	100%	1.178	75%	0.751	S	S	*	*			trans	-84.3	0	177.3	-83.2	-173.2	172.5	-177.6	0	111.9

Retrieved 365 of 365 residues in 291.3 ms (Link to these results)

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