A0A3Q0KQQ3_SCHMA Loading...

Alpha-amylase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KQQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 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	33.3	Very low	44.4	Very low	248 Å²	248	149.3 Å²	149.3	100%	1.222	73%	0.733	S	S	*	*				0	126	0	-88	159.8	82.8	0	0	109.1
2	K	34.8	Very low	46.6	Very low	193 Å²	193	152.7 Å²	152.7	84%	0.839	73%	0.731	S	S	*	*			trans	1.4	121.7	167.6	-74	171.7	172	176.3	0	119.8
3	N	32.3	Very low	48.7	Very low	144 Å²	144	148.3 Å²	148.3	77%	0.77	71%	0.71	S	S	*	*				15.6	105	129.3	-72.3	-20.1	0	0	0	117.4
4	F	37.5	Very low	50.8	Low	186 Å²	186	148.4 Å²	148.4	82%	0.816	70%	0.699	S	S	*	*			trans	-118.1	80.8	146	-95	-88	0	0	0	108.2	N6	F4-N6 VanDerWaalsContact C-N 3.34Å; F4-N6 PolarHBondContact O-N 3.43Å
5	K	37.3	Very low	52	Low	180 Å²	180	145.5 Å²	145.5	78%	0.783	69%	0.69	S	S	*	*			trans	-76.7	88.4	163.6	-84.1	-174.8	173.8	-178.1	0	107.6	N7	K5-N7 PolarHBondContact O-N 2.7Å
6	N	39.6	Very low	53.4	Low	118 Å²	118	142.3 Å²	142.3	63%	0.631	68%	0.677	S	S	*	*			trans	-77.9	100.9	166.5	-85	-12.3	0	0	0	108.7	F4 F8	F4-N6 VanDerWaalsContact C-N 3.34Å; F4-N6 PolarHBondContact O-N 3.43Å; N6-F8 VanDerWaalsContact C-N 3.25Å; N6-F8 HydrophobicContact CB-CD2 4.17Å; N6-F8 HydrophobicContact CB-CE2 4.41Å; N6-F8 PolarHBondContact O-N 3.31Å
7	N	44.7	Very low	54.9	Low	148 Å²	148	139.2 Å²	139.2	79%	0.791	66%	0.662	S	S	*	*			trans	-69.3	78	170.6	-77	-21.4	0	0	0	110	K5 K9	K5-N7 PolarHBondContact O-N 2.7Å; N7-K9 PolarHBondContact O-N 3.04Å
8	F	43.7	Very low	55.9	Low	176 Å²	176	137.5 Å²	137.5	77%	0.772	65%	0.653	S	S	*	*			trans	-78.5	97.4	164.5	-90.8	-83.6	0	0	0	108.9	N6 S10	N6-F8 VanDerWaalsContact C-N 3.25Å; N6-F8 HydrophobicContact CB-CD2 4.17Å; N6-F8 HydrophobicContact CB-CE2 4.41Å; N6-F8 PolarHBondContact O-N 3.31Å; F8-S10 PolarHBondContact O-N 3.48Å
9	K	63.9	Low	56.7	Low	95 Å²	95	135 Å²	135	41%	0.413	64%	0.643	S	S	.	*			trans	-63.9	125.9	167.9	-77.4	-176.6	174.1	-178.9	0	109.4	N7 E13 E17	N7-K9 PolarHBondContact O-N 3.04Å; K9-E13 VanDerWaalsContact CA-OE2 3.23Å; K9-E13 WeakPolarHBondContact CA-OE2 3.43Å; K9-E13 HydrophobicContact CB-CB 4.21Å; K9-E13 HydrophobicContact CG-CB 4.49Å; K9-E17 VanDerWaalsContact NZ-CD 3.27Å; K9-E17 IonicContact NZ-OE1 3.04Å; K9-E17 PolarHBondContact NZ-OE1 3.25Å; K9-E17 IonicContact NZ-OE2 2.7Å; K9-E17 PolarHBondContact NZ-OE2 3.17Å
10	S	60.2	Low	57.4	Low	48 Å²	48	139.3 Å²	139.3	34%	0.336	65%	0.653	S	S	.	*			trans	-61.7	156	177.5	68.8	0	0	0	0	111.1	F8 R12 E13 R14	F8-S10 PolarHBondContact O-N 3.48Å; S10-R12 PolarHBondContact O-N 3.49Å; S10-R12 VanDerWaalsContact O-N 3.12Å; S10-E13 PolarHBondContact N-OE2 3.04Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.34Å; S10-E13 PolarHBondContact OG-N 3.3Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; S10-R14 PolarHBondContact O-N 3.25Å
11	P	61.6	Low	58.2	Low	106 Å²	106	140.8 Å²	140.8	69%	0.688	66%	0.657	S	S	*	*	H	α-helix	trans	-52.8	-32.9	174.9	-27.1	35.2	0	0	0	113.3	R14 L15	P11-R14 PolarHBondContact O-N 2.94Å; P11-L15 PolarHBondContact O-N 2.96Å
12	R	70.4	Confident	59.5	Low	190 Å²	190	138.5 Å²	138.5	72%	0.717	64%	0.635	S	S	*	*	H	α-helix	trans	-65.2	-43.1	175.6	-175.1	-179	179.1	-171.4	-0.1	112.6	S10 R14 L15 L16	S10-R12 PolarHBondContact O-N 3.49Å; S10-R12 VanDerWaalsContact O-N 3.12Å; R12-R14 VanDerWaalsContact C-N 3.34Å; R12-L15 PolarHBondContact O-N 3.37Å; R12-L16 HydrophobicContact CG-CD1 4.11Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.43Å
13	E	73.7	Confident	60.5	Low	96 Å²	96	133.6 Å²	133.6	45%	0.449	62%	0.621	S	S	.	*	H	α-helix	trans	-66.6	-37.6	178.5	-72.8	168.4	135.9	0	0	111.6	K9 S10 L16 E17	K9-E13 VanDerWaalsContact CA-OE2 3.23Å; K9-E13 WeakPolarHBondContact CA-OE2 3.43Å; K9-E13 HydrophobicContact CB-CB 4.21Å; K9-E13 HydrophobicContact CG-CB 4.49Å; S10-E13 PolarHBondContact N-OE2 3.04Å; S10-E13 PolarHBondContact O-N 3.04Å; S10-E13 WeakPolarHBondContact OG-CG 3.34Å; S10-E13 PolarHBondContact OG-N 3.3Å; S10-E13 PolarHBondContact OG-OE2 3.46Å; E13-L16 PolarHBondContact O-N 3.13Å; E13-E17 WeakPolarHBondContact O-CB 3.38Å; E13-E17 PolarHBondContact O-N 3.49Å
14	R	77.8	Confident	60.9	Low	149 Å²	149	132.6 Å²	132.6	56%	0.562	62%	0.622	S	S	*	*	H	α-helix	trans	-61.7	-46.2	172.8	-84.8	-175.9	-100.2	-177	-6.4	111.8	S10 P11 R12 L16 E17 E18	S10-R14 PolarHBondContact O-N 3.25Å; P11-R14 PolarHBondContact O-N 2.94Å; R12-R14 VanDerWaalsContact C-N 3.34Å; R14-L16 PolarHBondContact O-N 3.48Å; R14-E17 PolarHBondContact O-N 3.47Å; R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 PolarHBondContact O-N 3.22Å
15	L	70	Confident	60.9	Low	106 Å²	106	130.3 Å²	130.3	56%	0.555	62%	0.623	S	S	*	*	H	α-helix	trans	-62.8	-43.4	179.3	-161.6	83.3	0	0	0	112	P11 R12 E17 E18 I19	P11-L15 PolarHBondContact O-N 2.96Å; R12-L15 PolarHBondContact O-N 3.37Å; L15-E17 PolarHBondContact O-N 3.06Å; L15-E18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD2-CD1 4.47Å; L15-I19 HydrophobicContact CG-CD1 4.3Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.23Å
16	L	74.4	Confident	60.9	Low	94 Å²	94	130.4 Å²	130.4	49%	0.492	63%	0.626	S	S	.	*	H	α-helix	trans	-65.9	-37.5	178.9	-73.6	170.2	0	0	0	112.5	R12 E13 R14 E18 I19 R20	R12-L16 HydrophobicContact CG-CD1 4.11Å; R12-L16 WeakPolarHBondContact O-CG 3.48Å; R12-L16 PolarHBondContact O-N 3.43Å; E13-L16 PolarHBondContact O-N 3.13Å; R14-L16 PolarHBondContact O-N 3.48Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-I19 PolarHBondContact O-N 2.93Å; L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.5Å
17	E	78.1	Confident	60.7	Low	89 Å²	89	130.2 Å²	130.2	42%	0.416	63%	0.632	S	S	.	*	H	α-helix	trans	-69.8	-33.3	176.8	-160.8	165	-157.7	0	0	111.5	K9 E13 R14 L15 R20 K21	K9-E17 VanDerWaalsContact NZ-CD 3.27Å; K9-E17 IonicContact NZ-OE1 3.04Å; K9-E17 PolarHBondContact NZ-OE1 3.25Å; K9-E17 IonicContact NZ-OE2 2.7Å; K9-E17 PolarHBondContact NZ-OE2 3.17Å; E13-E17 WeakPolarHBondContact O-CB 3.38Å; E13-E17 PolarHBondContact O-N 3.49Å; R14-E17 PolarHBondContact O-N 3.47Å; L15-E17 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 3.18Å; E17-K21 WeakPolarHBondContact O-CG 3.27Å; E17-K21 PolarHBondContact O-N 3.5Å; E17-K21 VanDerWaalsContact O-N 3.13Å
18	E	73.7	Confident	60	Low	109 Å²	109	131 Å²	131	51%	0.509	64%	0.636	S	S	.	*	H	α-helix	trans	-71	-38.8	174.9	-140.3	164.6	-168.3	0	0	112.3	R14 L15 L16 K21 R22	R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 PolarHBondContact O-N 3.22Å; L15-E18 PolarHBondContact O-N 3.39Å; L16-E18 VanDerWaalsContact C-N 3.33Å; E18-K21 PolarHBondContact O-N 2.79Å; E18-R22 PolarHBondContact O-N 3.07Å
19	I	70.4	Confident	59.5	Low	90 Å²	90	128.1 Å²	128.1	46%	0.462	64%	0.637	S	S	.	*	H	α-helix	trans	-63.5	-45.4	171.6	-68.4	164.4	0	0	0	110	L15 L16 K21 R22 V23	L15-I19 HydrophobicContact CD2-CD1 4.47Å; L15-I19 HydrophobicContact CG-CD1 4.3Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.46Å; L15-I19 PolarHBondContact O-N 3.23Å; L16-I19 PolarHBondContact O-N 2.93Å; I19-K21 PolarHBondContact O-N 3.34Å; I19-R22 PolarHBondContact O-N 2.99Å; I19-V23 PolarHBondContact O-N 3.33Å
20	R	71.1	Confident	57.8	Low	220 Å²	220	132.1 Å²	132.1	83%	0.83	66%	0.658	S	S	*	*	H	α-helix	trans	-64.9	-25.6	-178.5	-155.1	-178.8	-100.7	171.7	-7.9	112.8	L16 E17	L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.5Å; E17-R20 PolarHBondContact O-N 3.18Å
21	K	74.2	Confident	56.4	Low	171 Å²	171	137.9 Å²	137.9	74%	0.743	69%	0.685	S	S	*	*	H	α-helix	trans	-77.9	-18.9	173.6	-77	-178.7	-177.7	-177.4	0	114.4	E17 E18 I19	E17-K21 WeakPolarHBondContact O-CG 3.27Å; E17-K21 PolarHBondContact O-N 3.5Å; E17-K21 VanDerWaalsContact O-N 3.13Å; E18-K21 PolarHBondContact O-N 2.79Å; I19-K21 PolarHBondContact O-N 3.34Å
22	R	61	Low	54.8	Low	200 Å²	200	141.7 Å²	141.7	76%	0.755	69%	0.693	S	S	*	*	H	α-helix	trans	-102.1	-6.3	-172.9	-71.9	-173.2	-175.6	-164	4	114.5	E18 I19 P24	E18-R22 PolarHBondContact O-N 3.07Å; I19-R22 PolarHBondContact O-N 2.99Å; R22-P24 WeakPolarHBondContact O-CD 3.36Å
23	V	55.1	Low	52.9	Low	91 Å²	91	140.4 Å²	140.4	55%	0.552	70%	0.701	S	S	*	*	S	Bend	trans	-106.8	107.9	177	-175.4	0	0	0	0	108.6	I19 V25	I19-V23 PolarHBondContact O-N 3.33Å; V23-V25 PolarHBondContact O-N 3.02Å
24	P	40.6	Very low	50.6	Low	122 Å²	122	143.2 Å²	143.2	79%	0.792	72%	0.719	S	S	*	*			trans	-66.3	120.8	169.5	20	-17.8	0	0	0	108.6	R22	R22-P24 WeakPolarHBondContact O-CD 3.36Å
25	V	36.8	Very low	48.3	Very low	138 Å²	138	145.2 Å²	145.2	84%	0.836	73%	0.734	S	S	*	*			trans	-88.1	104.8	170.7	179.7	0	0	0	0	106.3	V23	V23-V25 PolarHBondContact O-N 3.02Å
26	E	38.3	Very low	46.2	Very low	182 Å²	182	145.5 Å²	145.5	85%	0.85	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-82.5	141.3	167	-123.4	171.1	-174.5	0	0	108.8
27	P	34.8	Very low	44.2	Very low	115 Å²	115	148.9 Å²	148.9	75%	0.747	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-84.1	149	-162.5	33.1	-32.8	0	0	0	113	S29	P27-S29 PolarHBondContact O-N 3.12Å
28	D	31	Very low	41.7	Very low	164 Å²	164	148.8 Å²	148.8	88%	0.877	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-53.1	124.1	174.7	-60.6	-55	0	0	0	112
29	S	32.9	Very low	39.5	Very low	115 Å²	115	150.3 Å²	150.3	80%	0.804	78%	0.783	S	S	*	*			trans	-104.9	101.6	158.3	61.7	0	0	0	0	108.3	P27	P27-S29 PolarHBondContact O-N 3.12Å
30	E	27.3	Very low	37.5	Very low	180 Å²	180	152 Å²	152	84%	0.841	80%	0.798	S	S	*	*			trans	-64.4	127.3	156.6	-68	179	159.8	0	0	108
31	D	32.1	Very low	35.3	Very low	168 Å²	168	146.8 Å²	146.8	90%	0.898	80%	0.795	S	S	*	*			trans	-159	114.2	139.3	-99.2	-27.9	0	0	0	109.6
32	E	27.3	Very low	33.3	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	80%	0.796	S	S	*	*			trans	-63.8	131.7	166.8	-63.2	178.7	143.6	0	0	109.6
33	N	30.4	Very low	31.6	Very low	164 Å²	164	140.3 Å²	140.3	88%	0.877	80%	0.797	S	S	*	*			trans	-153.9	112.5	137.1	-121.4	-26.6	0	0	0	112.2
34	N	26	Very low	30.7	Very low	154 Å²	154	145.6 Å²	145.6	82%	0.824	81%	0.813	S	S	*	*			trans	-64.8	131.4	162.5	-81.8	-45.8	0	0	0	109.7
35	Q	29.2	Very low	30.2	Very low	191 Å²	191	147.7 Å²	147.7	89%	0.893	81%	0.812	S	S	*	*			trans	-155.9	113.5	139.5	-114.4	170.5	14.6	0	0	111.5
36	S	26.2	Very low	29.8	Very low	112 Å²	112	149.5 Å²	149.5	78%	0.783	81%	0.809	S	S	*	*			trans	-72.6	130.8	164	52.1	0	0	0	0	110.8
37	I	31.5	Very low	29.5	Very low	166 Å²	166	147.3 Å²	147.3	85%	0.851	80%	0.801	S	S	*	*			trans	-139	126.8	147.5	-64.3	-173.9	0	0	0	108
38	S	26.4	Very low	29.2	Very low	86 Å²	86	146.3 Å²	146.3	60%	0.601	80%	0.797	S	S	*	*			trans	-85.3	166.2	177.1	58.1	0	0	0	0	112.4
39	D	26.8	Very low	29.3	Very low	141 Å²	141	147 Å²	147	75%	0.754	80%	0.795	S	S	*	*			trans	73.7	117.6	154.8	-51.8	-42.1	0	0	0	118.6
40	T	28.7	Very low	29.3	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	79%	0.791	S	S	*	*				-173.2	121.5	93.1	-52.5	0	0	0	0	109.9
41	S	24.6	Very low	30.1	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	80%	0.796	S	S	*	*			trans	-75.2	131.9	162.2	52.5	0	0	0	0	110.7
42	T	31.8	Very low	30.6	Very low	125 Å²	125	144 Å²	144	77%	0.767	78%	0.78	S	S	*	*			trans	-147	109.5	150.4	12.3	0	0	0	0	110.2
43	S	26.1	Very low	31.8	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	78%	0.776	S	S	*	*			trans	-63.2	128.3	159.4	48.4	0	0	0	0	110.3
44	F	37	Very low	32.7	Very low	201 Å²	201	136.9 Å²	136.9	88%	0.882	76%	0.762	S	S	*	*			trans	-125.5	109.2	153.2	-108.4	-86.6	0	0	0	108.6
45	E	29.1	Very low	33.7	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	76%	0.759	S	S	*	*			trans	-65.2	153	164	-66.3	177	128.1	0	0	110.9
46	K	29	Very low	34.8	Very low	176 Å²	176	134.8 Å²	134.8	77%	0.765	75%	0.751	S	S	*	*			trans	123.6	125.6	130.5	-97.5	179.8	168.5	169.8	0	117.9
47	I	30.7	Very low	36	Very low	135 Å²	135	134.9 Å²	134.9	69%	0.692	75%	0.747	S	S	*	*			trans	96.1	99.2	135.8	-66.4	163	0	0	0	117.9
48	S	30	Very low	36.9	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	74%	0.739	S	S	*	*				-5.7	133.4	128.1	57.8	0	0	0	0	118
49	Q	32.4	Very low	38.1	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	74%	0.738	S	S	*	*				173.2	126.2	119.7	-95.2	-167.9	-5	0	0	112.6
50	V	32.8	Very low	39.3	Very low	119 Å²	119	132.9 Å²	132.9	72%	0.721	73%	0.73	S	S	*	*			trans	55.5	85.9	138.7	-167.2	0	0	0	0	117	S52	V50-S52 PolarHBondContact O-N 3.08Å
51	E	44.2	Very low	40.5	Very low	204 Å²	204	135.4 Å²	135.4	95%	0.953	73%	0.733	S	S	*	*			trans	-78.8	96.4	151.4	-82.3	174.8	165.9	0	0	108.5
52	S	43	Very low	42.1	Very low	79 Å²	79	134.9 Å²	134.9	55%	0.552	73%	0.725	S	S	*	*			trans	-73	138.7	175.3	83.7	0	0	0	0	110.7	V50 S54	V50-S52 PolarHBondContact O-N 3.08Å; S52-S54 PolarHBondContact O-N 3.1Å
53	C	51.3	Low	43.3	Very low	116 Å²	116	134.2 Å²	134.2	78%	0.784	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	48.5	-172	-158.4	0	0	0	0	114.5
54	S	51	Low	45.2	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	-5.6	174.9	61.2	0	0	0	0	114.7	S52	S52-S54 PolarHBondContact O-N 3.1Å
55	E	46.3	Very low	47	Very low	164 Å²	164	127.5 Å²	127.5	77%	0.766	69%	0.688	S	S	*	*	S	Bend	trans	-97.6	-15.2	173.7	-67.7	-169.9	161.2	0	0	114.1	T57	E55-T57 PolarHBondContact O-N 3.44Å
56	L	51.9	Low	49.2	Very low	136 Å²	136	127.5 Å²	127.5	71%	0.712	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-20.7	-177.6	-96.9	151.5	0	0	0	114.6
57	T	51.8	Low	51.6	Low	115 Å²	115	124.5 Å²	124.5	71%	0.706	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-11.8	-179	41.3	0	0	0	0	114.2	E55	E55-T57 PolarHBondContact O-N 3.44Å
58	N	49.1	Very low	54.1	Low	130 Å²	130	125.4 Å²	125.4	70%	0.695	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	0.3	-179.4	-122.9	-11.8	0	0	0	114.4
59	L	51.7	Low	56.8	Low	110 Å²	110	124.7 Å²	124.7	58%	0.576	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-8.1	173	-90.5	154.3	0	0	0	113.4	E61	L59-E61 PolarHBondContact O-N 3.26Å
60	D	52.6	Low	59.4	Low	110 Å²	110	119.6 Å²	119.6	59%	0.588	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-12.6	-172.9	-142.6	1.5	0	0	0	113.6	K67	D60-K67 VanDerWaalsContact OD1-CE 3.3Å; D60-K67 WeakPolarHBondContact OD1-CE 3.29Å; D60-K67 IonicContact OD1-NZ 3.67Å; D60-K67 PolarHBondContact OD1-NZ 3.16Å
61	E	53.7	Low	62.1	Low	181 Å²	181	118.8 Å²	118.8	85%	0.846	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-26.3	177.2	-71	-161.3	160	0	0	114.4	L59	L59-E61 PolarHBondContact O-N 3.26Å
62	T	58.5	Low	64.4	Low	98 Å²	98	113.3 Å²	113.3	60%	0.601	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-14.1	-166.2	26.8	0	0	0	0	116.2
63	H	58	Low	66.7	Low	111 Å²	111	114.3 Å²	114.3	51%	0.514	60%	0.602	S	S	.	*			trans	-132.7	69.9	-177	-65.9	-59.3	0	0	0	113.8	T65 W66	H63-T65 PolarHBondContact O-N 3.15Å; H63-T65 VanDerWaalsContact O-N 3.08Å; H63-W66 PolarHBondContact O-N 2.68Å; H63-W66 VanDerWaalsContact O-N 3.1Å
64	S	66	Low	68.5	Low	79 Å²	79	112.1 Å²	112.1	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-49.1	-30.9	167.1	-174.3	0	0	0	0	112.8	W66 K67 Y68	S64-W66 VanDerWaalsContact C-N 3.35Å; S64-W66 PolarHBondContact O-N 2.96Å; S64-K67 PolarHBondContact O-N 2.69Å; S64-Y68 WeakPolarHBondContact O-CD2 3.49Å
65	T	72.9	Confident	70.5	Confident	92 Å²	92	111.5 Å²	111.5	56%	0.564	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-33.2	179.4	51.5	0	0	0	0	113.9	H63 K67 Y68 I69	H63-T65 PolarHBondContact O-N 3.15Å; H63-T65 VanDerWaalsContact O-N 3.08Å; T65-K67 PolarHBondContact O-N 3.05Å; T65-Y68 PolarHBondContact O-N 3.49Å; T65-I69 WeakPolarHBondContact O-CG1 3.28Å; T65-I69 PolarHBondContact O-N 3.46Å; T65-I69 VanDerWaalsContact O-N 3.16Å
66	W	76.6	Confident	72.8	Confident	167 Å²	167	107 Å²	107	63%	0.633	56%	0.564	S	S	*	*	H	α-helix	trans	-66.3	-37	-177.8	-177.1	-112	0	0	0	112.4	H63 S64 Y68 I69 V70	H63-W66 PolarHBondContact O-N 2.68Å; H63-W66 VanDerWaalsContact O-N 3.1Å; S64-W66 VanDerWaalsContact C-N 3.35Å; S64-W66 PolarHBondContact O-N 2.96Å; W66-Y68 VanDerWaalsContact C-N 3.31Å; W66-Y68 PolarHBondContact O-N 3.39Å; W66-I69 HydrophobicContact CE3-CB 4.5Å; W66-I69 HydrophobicContact CE3-CD1 4.24Å; W66-I69 HydrophobicContact CE3-CG2 4.45Å; W66-I69 HydrophobicContact CZ3-CG2 4.34Å; W66-I69 PolarHBondContact O-N 2.76Å; W66-V70 HydrophobicContact CD2-CG2 4.42Å; W66-V70 HydrophobicContact CZ2-CG2 4.26Å; W66-V70 WeakPolarHBondContact O-CG2 3.49Å; W66-V70 PolarHBondContact O-N 3.49Å
67	K	78.8	Confident	74.8	Confident	113 Å²	113	104.3 Å²	104.3	49%	0.491	55%	0.553	S	S	.	*	H	α-helix	trans	-60.5	-40.8	176.1	-70.1	177.3	179.5	165.8	0	111.3	D60 S64 T65 I71	D60-K67 VanDerWaalsContact OD1-CE 3.3Å; D60-K67 WeakPolarHBondContact OD1-CE 3.29Å; D60-K67 IonicContact OD1-NZ 3.67Å; D60-K67 PolarHBondContact OD1-NZ 3.16Å; S64-K67 PolarHBondContact O-N 2.69Å; T65-K67 PolarHBondContact O-N 3.05Å; K67-I71 WeakPolarHBondContact O-CD1 3.3Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.14Å; K67-I71 PolarHBondContact O-N 3.33Å; K67-I71 VanDerWaalsContact O-N 3.12Å
68	Y	84	Confident	76.8	Confident	154 Å²	154	102.1 Å²	102.1	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-40.5	176.2	-65	-75.2	0	0	0	112.5	S64 T65 W66 V70 I71 V72	S64-Y68 WeakPolarHBondContact O-CD2 3.49Å; T65-Y68 PolarHBondContact O-N 3.49Å; W66-Y68 VanDerWaalsContact C-N 3.31Å; W66-Y68 PolarHBondContact O-N 3.39Å; Y68-V70 VanDerWaalsContact C-N 3.34Å; Y68-V70 PolarHBondContact O-N 3.4Å; Y68-I71 PolarHBondContact O-N 3.12Å; Y68-V72 VanDerWaalsContact O-CG2 3.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.3Å; Y68-V72 PolarHBondContact O-N 3.06Å
69	I	86.5	Confident	79	Confident	80 Å²	80	101.9 Å²	101.9	41%	0.41	54%	0.541	S	S	.	.	H	α-helix	trans	-59.8	-45.3	177.2	-68.5	168.6	0	0	0	110.8	T65 W66 V72 L73	T65-I69 WeakPolarHBondContact O-CG1 3.28Å; T65-I69 PolarHBondContact O-N 3.46Å; T65-I69 VanDerWaalsContact O-N 3.16Å; W66-I69 HydrophobicContact CE3-CB 4.5Å; W66-I69 HydrophobicContact CE3-CD1 4.24Å; W66-I69 HydrophobicContact CE3-CG2 4.45Å; W66-I69 HydrophobicContact CZ3-CG2 4.34Å; W66-I69 PolarHBondContact O-N 2.76Å; I69-V72 PolarHBondContact O-N 3.21Å; I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 WeakPolarHBondContact O-CB 3.3Å; I69-L73 PolarHBondContact O-N 2.91Å
70	V	87.3	Confident	81.1	Confident	70 Å²	70	102.2 Å²	102.2	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-65	-41.7	179	174.3	0	0	0	0	111.7	W66 Y68 L73 S74	W66-V70 HydrophobicContact CD2-CG2 4.42Å; W66-V70 HydrophobicContact CZ2-CG2 4.26Å; W66-V70 WeakPolarHBondContact O-CG2 3.49Å; W66-V70 PolarHBondContact O-N 3.49Å; Y68-V70 VanDerWaalsContact C-N 3.34Å; Y68-V70 PolarHBondContact O-N 3.4Å; V70-L73 PolarHBondContact O-N 2.94Å; V70-S74 VanDerWaalsContact O-CB 3.29Å; V70-S74 WeakPolarHBondContact O-CB 3.45Å; V70-S74 PolarHBondContact O-N 2.92Å
71	I	88.2	Confident	83.1	Confident	102 Å²	102	100.4 Å²	100.4	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-63.3	-47.6	176.6	-67.6	165.6	0	0	0	110.3	K67 Y68 L73 S74 T75	K67-I71 WeakPolarHBondContact O-CD1 3.3Å; K67-I71 VanDerWaalsContact O-CG1 3.28Å; K67-I71 WeakPolarHBondContact O-CG1 3.14Å; K67-I71 PolarHBondContact O-N 3.33Å; K67-I71 VanDerWaalsContact O-N 3.12Å; Y68-I71 PolarHBondContact O-N 3.12Å; I71-L73 PolarHBondContact O-N 2.76Å; I71-S74 PolarHBondContact O-N 3.45Å; I71-T75 HydrophobicContact CG2-CG2 4.42Å; I71-T75 WeakPolarHBondContact O-CG2 3.45Å; I71-T75 PolarHBondContact O-N 2.9Å; I71-T75 PolarHBondContact O-OG1 2.87Å
72	V	92.3	Very high	85.1	Confident	88 Å²	88	97.6 Å²	97.6	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-59.4	-49	178.3	172.1	0	0	0	0	110.5	Y68 I69 S74 T75 V76	Y68-V72 VanDerWaalsContact O-CG2 3.29Å; Y68-V72 WeakPolarHBondContact O-CG2 3.3Å; Y68-V72 PolarHBondContact O-N 3.06Å; I69-V72 PolarHBondContact O-N 3.21Å; V72-S74 PolarHBondContact O-N 3.39Å; V72-T75 PolarHBondContact O-N 2.78Å; V72-T75 PolarHBondContact O-OG1 3.3Å; V72-V76 HydrophobicContact CG1-CG2 4.39Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.25Å; V72-V76 PolarHBondContact O-N 3.46Å
73	L	92.4	Very high	86.8	Confident	100 Å²	100	94.9 Å²	94.9	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-58	-45.1	176.1	-84.4	159.7	0	0	0	112.3	I69 V70 I71 T75 V76 V77	I69-L73 HydrophobicContact CG2-CD1 3.77Å; I69-L73 WeakPolarHBondContact O-CB 3.3Å; I69-L73 PolarHBondContact O-N 2.91Å; V70-L73 PolarHBondContact O-N 2.94Å; I71-L73 PolarHBondContact O-N 2.76Å; L73-T75 PolarHBondContact O-N 3.25Å; L73-V76 PolarHBondContact O-N 3.4Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 3.48Å
74	S	88.7	Confident	88.6	Confident	70 Å²	70	94.5 Å²	94.5	49%	0.49	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-40.3	178.7	-175	0	0	0	0	112.5	V70 I71 V72 S78	V70-S74 VanDerWaalsContact O-CB 3.29Å; V70-S74 WeakPolarHBondContact O-CB 3.45Å; V70-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-N 3.45Å; V72-S74 PolarHBondContact O-N 3.39Å; S74-S78 WeakPolarHBondContact O-CB 3.29Å; S74-S78 PolarHBondContact O-N 2.92Å; S74-S78 PolarHBondContact O-OG 3.47Å; S74-S78 VanDerWaalsContact O-OG 3.05Å
75	T	92.2	Very high	90	Very high	72 Å²	72	96.3 Å²	96.3	44%	0.442	52%	0.523	S	S	.	.	H	α-helix	trans	-67.5	-40.8	175.2	60.3	0	0	0	0	112.6	I71 V72 L73 S78 L79	I71-T75 HydrophobicContact CG2-CG2 4.42Å; I71-T75 WeakPolarHBondContact O-CG2 3.45Å; I71-T75 PolarHBondContact O-N 2.9Å; I71-T75 PolarHBondContact O-OG1 2.87Å; V72-T75 PolarHBondContact O-N 2.78Å; V72-T75 PolarHBondContact O-OG1 3.3Å; L73-T75 PolarHBondContact O-N 3.25Å; T75-S78 PolarHBondContact O-N 3.25Å; T75-L79 WeakPolarHBondContact O-CB 3.5Å; T75-L79 WeakPolarHBondContact O-CG 3.47Å; T75-L79 PolarHBondContact O-N 3.48Å
76	V	94.8	Very high	91	Very high	68 Å²	68	95.6 Å²	95.6	41%	0.412	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.4	170.3	0	0	0	0	110.8	V72 L73 L79 L80	V72-V76 HydrophobicContact CG1-CG2 4.39Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.25Å; V72-V76 PolarHBondContact O-N 3.46Å; L73-V76 PolarHBondContact O-N 3.4Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-L80 HydrophobicContact CG1-CD1 4.02Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 3.08Å
77	V	95.4	Very high	91.7	Very high	81 Å²	81	94.7 Å²	94.7	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-43.8	176.9	171.7	0	0	0	0	111	L73 L79 L80 C81	L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.42Å; L73-V77 PolarHBondContact O-N 3.48Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.46Å; V77-L80 PolarHBondContact O-N 3.05Å; V77-C81 WeakPolarHBondContact O-CB 3.14Å; V77-C81 PolarHBondContact O-N 3.11Å; V77-C81 PolarHBondContact O-SG 2.88Å; V77-C81 VanDerWaalsContact O-SG 3.37Å
78	S	92.8	Very high	92.3	Very high	69 Å²	69	93.2 Å²	93.2	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-61.3	-41.6	176.8	-69.1	0	0	0	0	112.3	S74 T75 C81 L82	S74-S78 WeakPolarHBondContact O-CB 3.29Å; S74-S78 PolarHBondContact O-N 2.92Å; S74-S78 PolarHBondContact O-OG 3.47Å; S74-S78 VanDerWaalsContact O-OG 3.05Å; T75-S78 PolarHBondContact O-N 3.25Å; S78-C81 PolarHBondContact O-N 2.92Å; S78-L82 PolarHBondContact O-N 3.32Å
79	L	95.7	Very high	92.5	Very high	125 Å²	125	89.5 Å²	89.5	65%	0.654	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-41.3	176.3	-75.8	166.6	0	0	0	112.3	T75 V76 V77 L82 G83	T75-L79 WeakPolarHBondContact O-CB 3.5Å; T75-L79 WeakPolarHBondContact O-CG 3.47Å; T75-L79 PolarHBondContact O-N 3.48Å; V76-L79 PolarHBondContact O-N 3.3Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 2.93Å; L79-G83 PolarHBondContact O-N 2.81Å
80	L	95.8	Very high	92.6	Very high	116 Å²	116	90.9 Å²	90.9	61%	0.607	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-45.2	174.8	-75.6	168.6	0	0	0	111.6	V76 V77 L82 G83 L84	V76-L80 HydrophobicContact CG1-CD1 4.02Å; V76-L80 WeakPolarHBondContact O-CG 3.19Å; V76-L80 PolarHBondContact O-N 3.08Å; V77-L80 PolarHBondContact O-N 3.05Å; L80-L82 PolarHBondContact O-N 3.37Å; L80-G83 PolarHBondContact O-N 2.83Å; L80-L84 WeakPolarHBondContact O-CB 3.17Å; L80-L84 PolarHBondContact O-N 3.05Å
81	C	94.3	Very high	92.6	Very high	73 Å²	73	91.9 Å²	91.9	49%	0.493	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-41.9	176.3	-73.4	0	0	0	0	112.2	V77 S78 L84 L85	V77-C81 WeakPolarHBondContact O-CB 3.14Å; V77-C81 PolarHBondContact O-N 3.11Å; V77-C81 PolarHBondContact O-SG 2.88Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; S78-C81 PolarHBondContact O-N 2.92Å; C81-L84 PolarHBondContact O-N 2.95Å; C81-L85 PolarHBondContact O-N 3.29Å
82	L	95.4	Very high	92.4	Very high	121 Å²	121	92.4 Å²	92.4	63%	0.634	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-43.1	176.8	-136	105.2	0	0	0	111.4	S78 L79 L80 L84 L85 V86	S78-L82 PolarHBondContact O-N 3.32Å; L79-L82 PolarHBondContact O-N 2.93Å; L80-L82 PolarHBondContact O-N 3.37Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.24Å; L82-L85 PolarHBondContact O-N 2.95Å; L82-V86 WeakPolarHBondContact O-CG2 3.22Å; L82-V86 PolarHBondContact O-N 2.93Å
83	G	94.9	Very high	91.8	Very high	41 Å²	41	93.6 Å²	93.6	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-40.4	175.4	0	0	0	0	0	112.7	L79 L80 V86 W87	L79-G83 PolarHBondContact O-N 2.81Å; L80-G83 PolarHBondContact O-N 2.83Å; G83-V86 PolarHBondContact O-N 3.44Å; G83-W87 WeakPolarHBondContact O-CB 3.35Å; G83-W87 PolarHBondContact O-N 2.9Å
84	L	95.8	Very high	90.7	Very high	104 Å²	104	91.5 Å²	91.5	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-65	-40.6	175.8	-123.7	156.1	0	0	0	111.9	L80 C81 L82 W87 L88	L80-L84 WeakPolarHBondContact O-CB 3.17Å; L80-L84 PolarHBondContact O-N 3.05Å; C81-L84 PolarHBondContact O-N 2.95Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.24Å; L84-W87 PolarHBondContact O-N 3.37Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 2.92Å
85	L	94.5	Very high	89.5	Confident	117 Å²	117	95.8 Å²	95.8	61%	0.613	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-42.3	175.2	-104.8	158.9	0	0	0	112.6	C81 L82 L88 T89	C81-L85 PolarHBondContact O-N 3.29Å; L82-L85 PolarHBondContact O-N 2.95Å; L85-L88 PolarHBondContact O-N 2.94Å; L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.32Å
86	V	93.8	Very high	87.6	Confident	76 Å²	76	103.9 Å²	103.9	46%	0.461	55%	0.551	S	S	.	*	H	α-helix	trans	-65.8	-42.4	175	174.2	0	0	0	0	110.7	L82 G83 T89 L90	L82-V86 WeakPolarHBondContact O-CG2 3.22Å; L82-V86 PolarHBondContact O-N 2.93Å; G83-V86 PolarHBondContact O-N 3.44Å; V86-T89 VanDerWaalsContact CA-OG1 3.31Å; V86-T89 WeakPolarHBondContact CA-OG1 3.32Å; V86-T89 PolarHBondContact O-N 3.33Å; V86-T89 PolarHBondContact O-OG1 2.71Å; V86-L90 HydrophobicContact CG1-CD1 4Å; V86-L90 HydrophobicContact CG1-CG 4.4Å; V86-L90 WeakPolarHBondContact O-CB 3.5Å; V86-L90 VanDerWaalsContact O-CG 3.28Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 2.03Å
87	W	92.5	Very high	85.3	Confident	148 Å²	148	109.6 Å²	109.6	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-62.9	-42.6	175.3	-178.4	83.6	0	0	0	111.9	G83 L84 L90 Y91	G83-W87 WeakPolarHBondContact O-CB 3.35Å; G83-W87 PolarHBondContact O-N 2.9Å; L84-W87 PolarHBondContact O-N 3.37Å; W87-L90 PolarHBondContact O-N 3.05Å; W87-Y91 HydrophobicContact CH2-CD2 4.23Å; W87-Y91 HydrophobicContact CH2-CE2 4.34Å; W87-Y91 HydrophobicContact CZ2-CD2 4.1Å; W87-Y91 HydrophobicContact CZ2-CE2 4.38Å; W87-Y91 WeakPolarHBondContact O-CB 3.47Å; W87-Y91 PolarHBondContact O-N 3Å
88	L	91.7	Very high	83.4	Confident	83 Å²	83	110.8 Å²	110.8	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-65.6	-41.1	179	-143.8	106.2	0	0	0	111.7	L84 L85 Y91 I92	L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 PolarHBondContact O-N 2.92Å; L85-L88 PolarHBondContact O-N 2.94Å; L88-Y91 PolarHBondContact O-N 2.78Å; L88-I92 HydrophobicContact CD2-CD1 3.94Å; L88-I92 HydrophobicContact CG-CD1 4.46Å; L88-I92 WeakPolarHBondContact O-CB 3.36Å; L88-I92 WeakPolarHBondContact O-CD1 3.46Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 2.94Å
89	T	88.2	Confident	81.4	Confident	75 Å²	75	113.5 Å²	113.5	46%	0.46	60%	0.596	S	S	.	*	H	α-helix	trans	-65.8	-45.8	175	38.5	0	0	0	0	111.2	L85 V86 Y91 I92 T93	L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.32Å; V86-T89 VanDerWaalsContact CA-OG1 3.31Å; V86-T89 WeakPolarHBondContact CA-OG1 3.32Å; V86-T89 PolarHBondContact O-N 3.33Å; V86-T89 PolarHBondContact O-OG1 2.71Å; T89-Y91 VanDerWaalsContact C-N 3.29Å; T89-Y91 PolarHBondContact O-N 3.23Å; T89-I92 PolarHBondContact O-N 3.36Å; T89-T93 WeakPolarHBondContact O-CB 3.15Å; T89-T93 WeakPolarHBondContact O-CG2 3.14Å; T89-T93 PolarHBondContact O-N 3.47Å; T89-T93 PolarHBondContact O-OG1 3.43Å
90	L	88.7	Confident	79.1	Confident	109 Å²	109	112.8 Å²	112.8	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-61.2	-36.5	173.4	-73	175.1	0	0	0	112.5	V86 W87 T93 G94	V86-L90 HydrophobicContact CG1-CD1 4Å; V86-L90 HydrophobicContact CG1-CG 4.4Å; V86-L90 WeakPolarHBondContact O-CB 3.5Å; V86-L90 VanDerWaalsContact O-CG 3.28Å; V86-L90 WeakPolarHBondContact O-CG 3.36Å; V86-L90 PolarHBondContact O-N 2.03Å; W87-L90 PolarHBondContact O-N 3.05Å; L90-T93 WeakPolarHBondContact CA-OG1 3.4Å; L90-T93 PolarHBondContact O-OG1 3Å; L90-G94 WeakPolarHBondContact O-CA 3.43Å; L90-G94 PolarHBondContact O-N 2.84Å
91	Y	87.5	Confident	77.1	Confident	92 Å²	92	113.9 Å²	113.9	36%	0.361	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-45	176	-174.5	-101.2	0	0	0	111.6	W87 L88 T89 W95	W87-Y91 HydrophobicContact CH2-CD2 4.23Å; W87-Y91 HydrophobicContact CH2-CE2 4.34Å; W87-Y91 HydrophobicContact CZ2-CD2 4.1Å; W87-Y91 HydrophobicContact CZ2-CE2 4.38Å; W87-Y91 WeakPolarHBondContact O-CB 3.47Å; W87-Y91 PolarHBondContact O-N 3Å; L88-Y91 PolarHBondContact O-N 2.78Å; T89-Y91 VanDerWaalsContact C-N 3.29Å; T89-Y91 PolarHBondContact O-N 3.23Å; Y91-W95 HydrophobicContact CD1-CD2 4.02Å; Y91-W95 HydrophobicContact CD1-CE3 4.22Å; Y91-W95 HydrophobicContact CD1-CZ2 4.4Å; Y91-W95 HydrophobicContact CD1-CZ3 4.43Å; Y91-W95 AromaticContact CD2-NE1 3.86Å; Y91-W95 AromaticContact CE1-CD2 3.66Å; Y91-W95 HydrophobicContact CE1-CD2 3.66Å; Y91-W95 AromaticContact CE1-CE2 3.29Å; Y91-W95 AromaticContact CE1-CE3 3.84Å; Y91-W95 HydrophobicContact CE1-CE3 3.84Å; Y91-W95 AromaticContact CE1-CH2 3.43Å; Y91-W95 HydrophobicContact CE1-CH2 3.43Å; Y91-W95 VanDerWaalsContact CE1-CH2 3.43Å; Y91-W95 AromaticContact CE1-CZ2 3.28Å; Y91-W95 HydrophobicContact CE1-CZ2 3.28Å; Y91-W95 AromaticContact CE1-CZ3 3.7Å; Y91-W95 HydrophobicContact CE1-CZ3 3.7Å; Y91-W95 AromaticContact CE1-NE1 3.8Å; Y91-W95 AromaticContact CE2-CD1 3.97Å; Y91-W95 HydrophobicContact CE2-CD2 4.44Å; Y91-W95 AromaticContact CE2-CE2 3.65Å; Y91-W95 HydrophobicContact CE2-CZ2 4.01Å; Y91-W95 AromaticContact CE2-NE1 3.25Å; Y91-W95 VanDerWaalsContact CE2-NE1 3.25Å; Y91-W95 AromaticContact CZ-CD2 3.95Å; Y91-W95 AromaticContact CZ-CE2 3.11Å; Y91-W95 AromaticContact CZ-CH2 3.71Å; Y91-W95 AromaticContact CZ-CZ2 3.07Å; Y91-W95 AromaticContact CZ-NE1 3.27Å; Y91-W95 VanDerWaalsContact CZ-NE1 3.27Å; Y91-W95 WeakPolarHBondContact O-CB 3.49Å; Y91-W95 PolarHBondContact O-N 2.91Å; Y91-W95 WeakPolarHBondContact OH-CH2 3.49Å; Y91-W95 WeakPolarHBondContact OH-CZ2 3.4Å
92	I	84	Confident	75.4	Confident	113 Å²	113	115 Å²	115	58%	0.579	61%	0.613	S	S	*	*	H	α-helix	trans	-66.4	-40.4	176.7	-67.7	164.3	0	0	0	111.1	L88 T89	L88-I92 HydrophobicContact CD2-CD1 3.94Å; L88-I92 HydrophobicContact CG-CD1 4.46Å; L88-I92 WeakPolarHBondContact O-CB 3.36Å; L88-I92 WeakPolarHBondContact O-CD1 3.46Å; L88-I92 WeakPolarHBondContact O-CG1 3.33Å; L88-I92 PolarHBondContact O-N 2.94Å; T89-I92 PolarHBondContact O-N 3.36Å
93	T	79.4	Confident	74.5	Confident	112 Å²	112	118.4 Å²	118.4	69%	0.687	62%	0.622	S	S	*	*	H	α-helix	trans	-79.7	-30.6	179.2	58.9	0	0	0	0	113.5	T89 L90	T89-T93 WeakPolarHBondContact O-CB 3.15Å; T89-T93 WeakPolarHBondContact O-CG2 3.14Å; T89-T93 PolarHBondContact O-N 3.47Å; T89-T93 PolarHBondContact O-OG1 3.43Å; L90-T93 WeakPolarHBondContact CA-OG1 3.4Å; L90-T93 PolarHBondContact O-OG1 3Å
94	G	69	Low	74	Confident	57 Å²	57	119.4 Å²	119.4	59%	0.588	62%	0.618	S	S	*	*	H	α-helix	trans	-98.9	-13.5	-172.2	0	0	0	0	0	114.1	L90 R96	L90-G94 WeakPolarHBondContact O-CA 3.43Å; L90-G94 PolarHBondContact O-N 2.84Å; G94-R96 PolarHBondContact O-N 3.04Å
95	W	62.7	Low	73.9	Confident	160 Å²	160	115.6 Å²	115.6	61%	0.606	60%	0.599	S	S	*	*	S	Bend	trans	-57	107.2	158.7	-95.2	0.4	0	0	0	107.6	Y91 K97	Y91-W95 HydrophobicContact CD1-CD2 4.02Å; Y91-W95 HydrophobicContact CD1-CE3 4.22Å; Y91-W95 HydrophobicContact CD1-CZ2 4.4Å; Y91-W95 HydrophobicContact CD1-CZ3 4.43Å; Y91-W95 AromaticContact CD2-NE1 3.86Å; Y91-W95 AromaticContact CE1-CD2 3.66Å; Y91-W95 HydrophobicContact CE1-CD2 3.66Å; Y91-W95 AromaticContact CE1-CE2 3.29Å; Y91-W95 AromaticContact CE1-CE3 3.84Å; Y91-W95 HydrophobicContact CE1-CE3 3.84Å; Y91-W95 AromaticContact CE1-CH2 3.43Å; Y91-W95 HydrophobicContact CE1-CH2 3.43Å; Y91-W95 VanDerWaalsContact CE1-CH2 3.43Å; Y91-W95 AromaticContact CE1-CZ2 3.28Å; Y91-W95 HydrophobicContact CE1-CZ2 3.28Å; Y91-W95 AromaticContact CE1-CZ3 3.7Å; Y91-W95 HydrophobicContact CE1-CZ3 3.7Å; Y91-W95 AromaticContact CE1-NE1 3.8Å; Y91-W95 AromaticContact CE2-CD1 3.97Å; Y91-W95 HydrophobicContact CE2-CD2 4.44Å; Y91-W95 AromaticContact CE2-CE2 3.65Å; Y91-W95 HydrophobicContact CE2-CZ2 4.01Å; Y91-W95 AromaticContact CE2-NE1 3.25Å; Y91-W95 VanDerWaalsContact CE2-NE1 3.25Å; Y91-W95 AromaticContact CZ-CD2 3.95Å; Y91-W95 AromaticContact CZ-CE2 3.11Å; Y91-W95 AromaticContact CZ-CH2 3.71Å; Y91-W95 AromaticContact CZ-CZ2 3.07Å; Y91-W95 AromaticContact CZ-NE1 3.27Å; Y91-W95 VanDerWaalsContact CZ-NE1 3.27Å; Y91-W95 WeakPolarHBondContact O-CB 3.49Å; Y91-W95 PolarHBondContact O-N 2.91Å; Y91-W95 WeakPolarHBondContact OH-CH2 3.49Å; Y91-W95 WeakPolarHBondContact OH-CZ2 3.4Å; W95-K97 PolarHBondContact O-N 2.85Å
96	R	52.8	Low	73.8	Confident	241 Å²	241	111.4 Å²	111.4	91%	0.909	58%	0.576	S	S	*	*			trans	-36	105.1	166.8	-74.4	178.5	171.6	-176.7	-2.6	106.4	G94 S98	G94-R96 PolarHBondContact O-N 3.04Å; R96-S98 PolarHBondContact O-N 3.34Å
97	K	46.7	Very low	73.8	Confident	188 Å²	188	108.5 Å²	108.5	82%	0.817	56%	0.557	S	S	*	*			trans	-45.4	118.7	162.7	-70.8	-178	-179.9	179.5	0	103.4	W95 T99	W95-K97 PolarHBondContact O-N 2.85Å; K97-T99 PolarHBondContact O-N 3Å
98	S	54.5	Low	73.8	Confident	106 Å²	106	102.4 Å²	102.4	74%	0.741	54%	0.535	S	S	*	.			trans	-39.1	119.2	171.4	40	0	0	0	0	105.7	R96 P100	R96-S98 PolarHBondContact O-N 3.34Å; S98-P100 VanDerWaalsContact O-CD 3.3Å; S98-P100 WeakPolarHBondContact O-CD 3.45Å
99	T	51	Low	73.7	Confident	127 Å²	127	99.7 Å²	99.7	78%	0.779	52%	0.523	S	S	*	.			trans	-46.3	114.6	-177.5	-48.3	0	0	0	0	105.1	K97 I101	K97-T99 PolarHBondContact O-N 3Å; T99-I101 PolarHBondContact O-N 3.3Å
100	P	47.5	Very low	73.9	Confident	109 Å²	109	98.6 Å²	98.6	71%	0.708	51%	0.513	S	S	*	.			trans	-55.8	114.8	-173.2	17.2	-28.3	0	0	0	104.7	S98 S102	S98-P100 VanDerWaalsContact O-CD 3.3Å; S98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-S102 PolarHBondContact O-N 3.23Å
101	I	53.9	Low	74.2	Confident	140 Å²	140	93.5 Å²	93.5	72%	0.718	49%	0.486	S	S	*	.			trans	-52.9	113.9	178.6	-64.5	170.9	0	0	0	103.3	T99 K103	T99-I101 PolarHBondContact O-N 3.3Å; I101-K103 PolarHBondContact O-N 3.15Å
102	S	58.5	Low	74.7	Confident	97 Å²	97	89.1 Å²	89.1	68%	0.678	47%	0.469	S	S	*	.			trans	-53.1	117.7	-178	55.9	0	0	0	0	106.1	P100 L104	P100-S102 PolarHBondContact O-N 3.23Å; S102-L104 PolarHBondContact O-N 3.13Å
103	K	76.7	Confident	75.3	Confident	191 Å²	191	83.7 Å²	83.7	83%	0.83	44%	0.441	S	S	*	.			trans	-56.1	112.1	-174.1	-171.7	176.1	-179.3	178.5	0	107.6	I101	I101-K103 PolarHBondContact O-N 3.15Å
104	L	85.2	Confident	76.2	Confident	62 Å²	62	78.4 Å²	78.4	33%	0.325	41%	0.409	S	S	.	.			trans	-53	143.2	177.8	-72.2	172.2	0	0	0	108.4	S102 N108	S102-L104 PolarHBondContact O-N 3.13Å; L104-N108 HydrophobicContact CB-CB 4.15Å; L104-N108 HydrophobicContact CD2-CB 4.32Å
105	P	92.3	Very high	77.5	Confident	24 Å²	24	75.7 Å²	75.7	16%	0.156	38%	0.381	C	S	.	.			trans	-60.9	155.6	170.5	31.8	-36.8	0	0	0	109.6	W107 N108 S109 K343	P105-W107 HydrophobicContact CB-CD2 3.69Å; P105-W107 HydrophobicContact CB-CE3 3.89Å; P105-W107 HydrophobicContact CB-CG 4.44Å; P105-W107 HydrophobicContact CB-CH2 3.69Å; P105-W107 HydrophobicContact CB-CZ2 3.42Å; P105-W107 VanDerWaalsContact CB-CZ2 3.42Å; P105-W107 HydrophobicContact CB-CZ3 3.9Å; P105-W107 HydrophobicContact CG-CD2 4.01Å; P105-W107 VanDerWaalsContact CG-CE2 3.44Å; P105-W107 HydrophobicContact CG-CG 4.41Å; P105-W107 HydrophobicContact CG-CH2 4.47Å; P105-W107 HydrophobicContact CG-CZ2 3.71Å; P105-W107 PolarHBondContact O-N 2.91Å; P105-W107 VanDerWaalsContact O-N 3.13Å; P105-N108 HydrophobicContact CG-CB 4.09Å; P105-N108 WeakPolarHBondContact CG-OD1 3.24Å; P105-N108 PolarHBondContact O-N 3.3Å; P105-S109 PolarHBondContact O-N 2.71Å; P105-S109 VanDerWaalsContact O-N 3.17Å; P105-K343 HydrophobicContact CB-CD 4.46Å
106	F	93.6	Very high	79.2	Confident	29 Å²	29	68.3 Å²	68.3	13%	0.127	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-34.5	-170.1	70.2	-98.4	0	0	0	112.6	N108 S109 E110 F149 K199 V201 D285 L345	F106-N108 PolarHBondContact O-N 2.74Å; F106-S109 PolarHBondContact O-N 2.98Å; F106-S109 PolarHBondContact O-OG 3.49Å; F106-E110 WeakPolarHBondContact O-CB 3.45Å; F106-E110 WeakPolarHBondContact O-CG 3.44Å; F106-E110 PolarHBondContact O-N 3.5Å; F106-F149 HydrophobicContact CD2-CB 3.7Å; F106-F149 AromaticContact CD2-CD1 3.82Å; F106-F149 HydrophobicContact CD2-CD1 3.82Å; F106-F149 AromaticContact CD2-CG 3.81Å; F106-F149 HydrophobicContact CD2-CG 3.81Å; F106-F149 HydrophobicContact CE2-CB 3.59Å; F106-F149 HydrophobicContact CE2-CD1 4.1Å; F106-F149 HydrophobicContact CE2-CD2 4.04Å; F106-F149 AromaticContact CE2-CG 3.67Å; F106-F149 HydrophobicContact CE2-CG 3.67Å; F106-K199 HydrophobicContact CB-CG 4.18Å; F106-K199 HydrophobicContact CD1-CB 4.49Å; F106-K199 HydrophobicContact CD1-CG 3.92Å; F106-K199 HydrophobicContact CD2-CB 3.96Å; F106-K199 HydrophobicContact CD2-CG 3.84Å; F106-K199 HydrophobicContact CE1-CB 4.33Å; F106-K199 HydrophobicContact CE1-CG 4.21Å; F106-K199 HydrophobicContact CE2-CB 3.82Å; F106-K199 HydrophobicContact CE2-CG 4.17Å; F106-K199 HydrophobicContact CG-CB 4.3Å; F106-K199 HydrophobicContact CG-CG 3.71Å; F106-K199 HydrophobicContact CZ-CB 4.01Å; F106-K199 HydrophobicContact CZ-CG 4.33Å; F106-V201 HydrophobicContact CE2-CG2 4.38Å; F106-V201 HydrophobicContact CZ-CG2 4.32Å; F106-D285 HydrophobicContact CE1-CB 4.15Å; F106-D285 HydrophobicContact CZ-CB 4.11Å; F106-L345 HydrophobicContact CE1-CB 4.39Å; F106-L345 HydrophobicContact CE2-CD2 4.44Å; F106-L345 HydrophobicContact CZ-CB 3.83Å; F106-L345 HydrophobicContact CZ-CD2 4.37Å
107	W	94.3	Very high	81.3	Confident	15 Å²	15	56.8 Å²	56.8	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-21.1	177.7	56.6	86.4	0	0	0	113.4	P105 F149 L345 D372 V373 I437	P105-W107 HydrophobicContact CB-CD2 3.69Å; P105-W107 HydrophobicContact CB-CE3 3.89Å; P105-W107 HydrophobicContact CB-CG 4.44Å; P105-W107 HydrophobicContact CB-CH2 3.69Å; P105-W107 HydrophobicContact CB-CZ2 3.42Å; P105-W107 VanDerWaalsContact CB-CZ2 3.42Å; P105-W107 HydrophobicContact CB-CZ3 3.9Å; P105-W107 HydrophobicContact CG-CD2 4.01Å; P105-W107 VanDerWaalsContact CG-CE2 3.44Å; P105-W107 HydrophobicContact CG-CG 4.41Å; P105-W107 HydrophobicContact CG-CH2 4.47Å; P105-W107 HydrophobicContact CG-CZ2 3.71Å; P105-W107 PolarHBondContact O-N 2.91Å; P105-W107 VanDerWaalsContact O-N 3.13Å; W107-F149 HydrophobicContact CB-CE1 4.44Å; W107-F149 HydrophobicContact CB-CZ 4.39Å; W107-L345 HydrophobicContact CB-CD1 4.14Å; W107-L345 HydrophobicContact CB-CD2 4.35Å; W107-L345 HydrophobicContact CD2-CB 4.24Å; W107-L345 HydrophobicContact CD2-CD1 3.63Å; W107-L345 HydrophobicContact CD2-CG 4.44Å; W107-L345 HydrophobicContact CE3-CB 3.6Å; W107-L345 HydrophobicContact CE3-CD1 3.9Å; W107-L345 HydrophobicContact CE3-CG 4.26Å; W107-L345 HydrophobicContact CG-CD1 3.77Å; W107-L345 HydrophobicContact CH2-CB 4.47Å; W107-L345 HydrophobicContact CZ3-CB 3.73Å; W107-L345 HydrophobicContact CZ3-CD1 4.47Å; W107-D372 HydrophobicContact CZ2-CB 4.02Å; W107-V373 HydrophobicContact CB-CG2 4.25Å; W107-V373 HydrophobicContact CG-CG2 4.18Å; W107-I437 WeakPolarHBondContact O-CG1 3.25Å; W107-I437 WeakPolarHBondContact O-CG2 3.5Å
108	N	92.1	Very high	83.8	Confident	21 Å²	21	47.9 Å²	47.9	11%	0.112	27%	0.271	C	S	.	.	H	α-helix	trans	-94.3	-19.7	173.4	-74.5	112	0	0	0	113.3	L104 P105 F106 Q408	L104-N108 HydrophobicContact CB-CB 4.15Å; L104-N108 HydrophobicContact CD2-CB 4.32Å; P105-N108 HydrophobicContact CG-CB 4.09Å; P105-N108 WeakPolarHBondContact CG-OD1 3.24Å; P105-N108 PolarHBondContact O-N 3.3Å; F106-N108 PolarHBondContact O-N 2.74Å; N108-Q408 PolarHBondContact ND2-O 3.25Å
109	S	90.2	Very high	85.8	Confident	26 Å²	26	42.8 Å²	42.8	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-97.2	-21.3	-177.9	70.8	0	0	0	0	114	P105 F106 K544	P105-S109 PolarHBondContact O-N 2.71Å; P105-S109 VanDerWaalsContact O-N 3.17Å; F106-S109 PolarHBondContact O-N 2.98Å; F106-S109 PolarHBondContact O-OG 3.49Å; S109-K544 WeakPolarHBondContact O-CD 3.22Å; S109-K544 VanDerWaalsContact O-CE 3.3Å; S109-K544 WeakPolarHBondContact O-CE 3.37Å; S109-K544 PolarHBondContact O-NZ 3.19Å
110	E	92.1	Very high	88	Confident	52 Å²	52	36.8 Å²	36.8	24%	0.243	20%	0.198	C	C	.	.	S	Bend	trans	-121.1	166.5	-171.4	-52.1	-52.8	136.5	0	0	112.8	F106 F149	F106-E110 WeakPolarHBondContact O-CB 3.45Å; F106-E110 WeakPolarHBondContact O-CG 3.44Å; F106-E110 PolarHBondContact O-N 3.5Å; E110-F149 HydrophobicContact CB-CD1 4.21Å
111	V	95.3	Very high	90.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.1	169.2	-177.9	0	0	0	0	108.9	S147 G148 L432 P438 I440 R538	V111-S147 VanDerWaalsContact O-CA 3.31Å; V111-S147 WeakPolarHBondContact O-CA 3.23Å; V111-S147 PolarHBondContact O-OG 3.43Å; V111-S147 VanDerWaalsContact O-OG 3.07Å; V111-G148 PolarHBondContact O-N 3.42Å; V111-L432 HydrophobicContact CG1-CD2 4.24Å; V111-L432 HydrophobicContact CG2-CD2 4.23Å; V111-P438 HydrophobicContact CB-CG 4.39Å; V111-P438 HydrophobicContact CG1-CB 4.36Å; V111-P438 HydrophobicContact CG1-CG 4.39Å; V111-P438 HydrophobicContact CG2-CG 3.93Å; V111-I440 HydrophobicContact CG1-CD1 4.02Å; V111-I440 HydrophobicContact CG1-CG1 4.25Å; V111-R538 HydrophobicContact CG2-CG 4.16Å
112	G	96.8	Very high	92.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146	174	0	0	0	0	0	112.1	F149 P438 I439 I440	G112-F149 CarbonylContact C-O 3.41Å; G112-F149 WeakPolarHBondContact CA-O 3.42Å; G112-F149 VanDerWaalsContact N-CE1 3.35Å; G112-P438 PolarHBondContact N-O 3.01Å; G112-I439 WeakPolarHBondContact O-CA 3.27Å; G112-I440 PolarHBondContact O-N 2.82Å
113	Y	97.5	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.7	171.5	-168.5	-131.4	0	0	0	110.6	V115 F120 I141 I145 F149 V150 I151 I440 Y442 E445	Y113-V115 HydrophobicContact CD1-CG2 3.24Å; Y113-V115 HydrophobicContact CE1-CG2 3.29Å; Y113-V115 HydrophobicContact CG-CG2 3.92Å; Y113-F120 AromaticContact CE1-CE2 3.95Å; Y113-F120 HydrophobicContact CE1-CE2 3.95Å; Y113-F120 HydrophobicContact CE1-CZ 4.22Å; Y113-I141 HydrophobicContact CD1-CG1 4.2Å; Y113-I141 HydrophobicContact CD1-CG2 4.18Å; Y113-I141 HydrophobicContact CE1-CG1 4.24Å; Y113-I145 HydrophobicContact CD1-CG1 4.3Å; Y113-I145 HydrophobicContact CD2-CB 4.42Å; Y113-I145 HydrophobicContact CD2-CD1 4.4Å; Y113-I145 HydrophobicContact CD2-CG1 4.07Å; Y113-I145 HydrophobicContact CD2-CG2 3.66Å; Y113-I145 HydrophobicContact CE1-CG1 4.2Å; Y113-I145 HydrophobicContact CE2-CD1 3.97Å; Y113-I145 HydrophobicContact CE2-CG1 3.97Å; Y113-I145 HydrophobicContact CE2-CG2 4.28Å; Y113-I145 HydrophobicContact CG-CB 4.44Å; Y113-I145 HydrophobicContact CG-CG1 4.24Å; Y113-I145 HydrophobicContact CG-CG2 3.91Å; Y113-F149 PolarHBondContact N-O 3.4Å; Y113-V150 CarbonylContact O-C 3.6Å; Y113-V150 VanDerWaalsContact O-CA 3.22Å; Y113-V150 WeakPolarHBondContact O-CA 3.37Å; Y113-I151 PolarHBondContact O-N 2.89Å; Y113-I440 CarbonylContact C-O 3.52Å; Y113-I440 WeakPolarHBondContact CA-O 3.43Å; Y113-I440 HydrophobicContact CD2-CB 4.16Å; Y113-I440 HydrophobicContact CD2-CG2 4.14Å; Y113-I440 VanDerWaalsContact CD2-O 3.23Å; Y113-I440 WeakPolarHBondContact CD2-O 3.42Å; Y113-I440 HydrophobicContact CE2-CG2 4.13Å; Y113-Y442 WeakPolarHBondContact OH-CA 3.35Å; Y113-Y442 WeakPolarHBondContact OH-CB 3.28Å; Y113-E445 PolarHBondContact OH-OE1 2.94Å
114	W	97.3	Very high	95.5	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.2	-178.2	-171.8	-3.5	0	0	0	110.1	I151 L288 N349 I375 T416 I439 I440 Y441 Y442	W114-I151 CarbonylContact C-O 3.57Å; W114-I151 WeakPolarHBondContact CA-O 3.23Å; W114-I151 HydrophobicContact CB-CB 4.08Å; W114-I151 VanDerWaalsContact CD1-O 3.26Å; W114-I151 HydrophobicContact CD2-CG2 4.3Å; W114-I151 HydrophobicContact CG-CB 3.97Å; W114-I151 HydrophobicContact CG-CG2 4.05Å; W114-L288 HydrophobicContact CD2-CD2 4.42Å; W114-L288 HydrophobicContact CE3-CD2 4.48Å; W114-L288 HydrophobicContact CH2-CD2 3.65Å; W114-L288 HydrophobicContact CZ2-CD2 3.57Å; W114-L288 HydrophobicContact CZ3-CD2 4.11Å; W114-N349 HydrophobicContact CH2-CB 4.17Å; W114-I375 HydrophobicContact CZ3-CD1 4.48Å; W114-I375 HydrophobicContact CZ3-CG1 4.27Å; W114-I375 HydrophobicContact CZ3-CG2 4.47Å; W114-T416 HydrophobicContact CE3-CG2 4.47Å; W114-T416 HydrophobicContact CH2-CG2 4.16Å; W114-T416 HydrophobicContact CZ3-CG2 3.68Å; W114-I439 HydrophobicContact CB-CG2 3.83Å; W114-I439 HydrophobicContact CE3-CG2 4.35Å; W114-I440 PolarHBondContact N-O 3.28Å; W114-Y441 HydrophobicContact CB-CD2 3.83Å; W114-Y441 HydrophobicContact CB-CE2 4.5Å; W114-Y441 AromaticContact CD1-CE2 3.98Å; W114-Y441 AromaticContact CD2-CD2 3.77Å; W114-Y441 HydrophobicContact CD2-CD2 3.77Å; W114-Y441 AromaticContact CD2-CE2 3.98Å; W114-Y441 HydrophobicContact CD2-CE2 3.98Å; W114-Y441 HydrophobicContact CE3-CD2 4.13Å; W114-Y441 AromaticContact CG-CD2 3.64Å; W114-Y441 HydrophobicContact CG-CD2 3.64Å; W114-Y441 AromaticContact CG-CE2 3.9Å; W114-Y441 HydrophobicContact CG-CE2 3.9Å; W114-Y441 CarbonylContact O-C 3.58Å; W114-Y441 WeakPolarHBondContact O-CA 3.46Å; W114-Y442 PolarHBondContact O-N 3.11Å
115	V	97	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.8	-169.7	-172.5	0	0	0	0	111	Y113 F120 F134 I151 G153 Y442	Y113-V115 HydrophobicContact CD1-CG2 3.24Å; Y113-V115 HydrophobicContact CE1-CG2 3.29Å; Y113-V115 HydrophobicContact CG-CG2 3.92Å; V115-F120 HydrophobicContact CG1-CB 3.81Å; V115-F120 HydrophobicContact CG1-CD2 3.42Å; V115-F120 VanDerWaalsContact CG1-CD2 3.42Å; V115-F120 HydrophobicContact CG1-CE2 4.03Å; V115-F120 HydrophobicContact CG1-CG 3.69Å; V115-F134 HydrophobicContact CB-CE2 4.03Å; V115-F134 HydrophobicContact CG1-CD2 4.13Å; V115-F134 HydrophobicContact CG1-CE2 3.88Å; V115-F134 HydrophobicContact CG2-CE2 4.02Å; V115-I151 PolarHBondContact N-O 3.13Å; V115-G153 PolarHBondContact O-N 3.24Å; V115-Y442 HydrophobicContact CG1-CG 4.45Å
116	D	97.2	Very high	96.3	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	12%	0.124	C	C	.	.			trans	-84.8	111.6	158.3	176.9	0.9	0	0	0	108.8	F118 A119 F120 Y442 Y461 H481	D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 2.9Å; D116-F118 WeakPolarHBondContact OD1-CD2 3.41Å; D116-F118 PolarHBondContact OD1-N 3.36Å; D116-A119 HydrophobicContact CB-CB 4.03Å; D116-A119 PolarHBondContact O-N 3.03Å; D116-F120 WeakPolarHBondContact O-CB 3.27Å; D116-F120 PolarHBondContact O-N 3.39Å; D116-Y442 HydrophobicContact CB-CD1 4.45Å; D116-Y442 HydrophobicContact CB-CE1 3.72Å; D116-Y461 PolarHBondContact OD2-OH 3.21Å; D116-Y461 VanDerWaalsContact OD2-OH 3.04Å; D116-H481 IonicContact OD2-CE1 3.66Å; D116-H481 IonicContact OD2-CG 2.71Å; D116-H481 IonicContact OD2-ND1 3.71Å; D116-H481 PolarHBondContact OD2-ND1 2.88Å
117	V	98.5	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.8	-38.8	-176.5	177.8	0	0	0	0	111	A119 F120 G129 L131 F134 L152 I155 V180	V117-A119 PolarHBondContact O-N 2.77Å; V117-F120 PolarHBondContact O-N 3.38Å; V117-F120 VanDerWaalsContact O-N 3.08Å; V117-G129 CarbonylContact O-C 3.5Å; V117-G129 WeakPolarHBondContact O-CA 3.33Å; V117-L131 HydrophobicContact CG1-CD2 4.2Å; V117-F134 HydrophobicContact CG1-CB 4.2Å; V117-L152 HydrophobicContact CG2-CB 4.33Å; V117-L152 HydrophobicContact CG2-CD1 4.4Å; V117-L152 HydrophobicContact CG2-CD2 4.05Å; V117-L152 HydrophobicContact CG2-CG 4.49Å; V117-I155 HydrophobicContact CB-CG2 4.21Å; V117-I155 HydrophobicContact CG2-CG2 4.03Å; V117-V180 HydrophobicContact CB-CG2 4.14Å; V117-V180 HydrophobicContact CG1-CG2 3.65Å
118	F	98.2	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-67.7	-23.3	-178.8	-55.8	-79.3	0	0	0	113.2	D116 V128 G129 P154 I155 F159 Y160 D177 A179 V180 Y461	D116-F118 VanDerWaalsContact C-N 3.28Å; D116-F118 PolarHBondContact O-N 2.9Å; D116-F118 WeakPolarHBondContact OD1-CD2 3.41Å; D116-F118 PolarHBondContact OD1-N 3.36Å; F118-V128 HydrophobicContact CB-CG1 4.01Å; F118-V128 HydrophobicContact CD1-CG1 3.76Å; F118-V128 HydrophobicContact CG-CG1 4.37Å; F118-G129 WeakPolarHBondContact CA-O 3.47Å; F118-G129 WeakPolarHBondContact O-CA 3.2Å; F118-G129 PolarHBondContact O-N 2.94Å; F118-P154 WeakPolarHBondContact CE2-O 3.45Å; F118-I155 HydrophobicContact CE2-CG2 4.36Å; F118-F159 HydrophobicContact CD2-CD1 4.11Å; F118-F159 HydrophobicContact CD2-CE1 4.25Å; F118-F159 AromaticContact CE2-CD1 3.53Å; F118-F159 HydrophobicContact CE2-CD1 3.53Å; F118-F159 HydrophobicContact CE2-CE1 4.07Å; F118-F159 HydrophobicContact CZ-CD1 4.28Å; F118-Y160 HydrophobicContact CD1-CG 4.2Å; F118-Y160 HydrophobicContact CE1-CG 4.34Å; F118-D177 HydrophobicContact CE1-CB 4.22Å; F118-D177 HydrophobicContact CZ-CB 3.87Å; F118-A179 HydrophobicContact CD1-CB 4.49Å; F118-A179 HydrophobicContact CE1-CB 4.18Å; F118-V180 HydrophobicContact CD1-CG2 4.38Å; F118-V180 HydrophobicContact CE1-CB 3.64Å; F118-V180 HydrophobicContact CE1-CG2 3.84Å; F118-V180 HydrophobicContact CE2-CG2 4.49Å; F118-V180 HydrophobicContact CZ-CB 3.83Å; F118-V180 HydrophobicContact CZ-CG2 3.9Å; F118-Y461 HydrophobicContact CB-CD2 4.07Å; F118-Y461 HydrophobicContact CB-CE2 3.34Å; F118-Y461 HydrophobicContact CG-CE2 4.43Å; F118-Y461 VanDerWaalsContact O-CD2 3.32Å; F118-Y461 WeakPolarHBondContact O-CD2 3.14Å
119	A	96.2	Very high	96.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-96.9	-4	176.6	0	0	0	0	0	113.1	D116 V117 Y442 Y461 Q482 P483 M484 F493	D116-A119 HydrophobicContact CB-CB 4.03Å; D116-A119 PolarHBondContact O-N 3.03Å; V117-A119 PolarHBondContact O-N 2.77Å; A119-Y442 HydrophobicContact CB-CE2 4.08Å; A119-Y442 WeakPolarHBondContact CB-OH 3.39Å; A119-Y461 HydrophobicContact CB-CD1 3.71Å; A119-Y461 HydrophobicContact CB-CE1 3.51Å; A119-Q482 WeakPolarHBondContact CB-O 3.41Å; A119-P483 CarbonylContact O-C 3.48Å; A119-P483 WeakPolarHBondContact O-CA 3.12Å; A119-M484 PolarHBondContact O-N 3.06Å; A119-F493 WeakPolarHBondContact O-CE2 3.28Å
120	F	97.6	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-63.1	-167.6	-164.7	-109.2	0	0	0	113.1	Y113 V115 D116 V117 F134 E137 I141 Y442 M484 W486	Y113-F120 AromaticContact CE1-CE2 3.95Å; Y113-F120 HydrophobicContact CE1-CE2 3.95Å; Y113-F120 HydrophobicContact CE1-CZ 4.22Å; V115-F120 HydrophobicContact CG1-CB 3.81Å; V115-F120 HydrophobicContact CG1-CD2 3.42Å; V115-F120 VanDerWaalsContact CG1-CD2 3.42Å; V115-F120 HydrophobicContact CG1-CE2 4.03Å; V115-F120 HydrophobicContact CG1-CG 3.69Å; D116-F120 WeakPolarHBondContact O-CB 3.27Å; D116-F120 PolarHBondContact O-N 3.39Å; V117-F120 PolarHBondContact O-N 3.38Å; V117-F120 VanDerWaalsContact O-N 3.08Å; F120-F134 HydrophobicContact CD1-CB 4.21Å; F120-F134 AromaticContact CD1-CD2 3.45Å; F120-F134 HydrophobicContact CD1-CD2 3.45Å; F120-F134 VanDerWaalsContact CD1-CD2 3.45Å; F120-F134 HydrophobicContact CD1-CE2 4.3Å; F120-F134 HydrophobicContact CD1-CG 4.28Å; F120-F134 AromaticContact CE1-CD2 3.59Å; F120-F134 HydrophobicContact CE1-CD2 3.59Å; F120-F134 HydrophobicContact CE1-CE2 4.13Å; F120-F134 HydrophobicContact CE1-CG 4.5Å; F120-F134 HydrophobicContact CG-CD2 4.03Å; F120-F134 HydrophobicContact CZ-CD2 4.35Å; F120-F134 HydrophobicContact CZ-CE2 4.49Å; F120-E137 HydrophobicContact CE1-CB 3.91Å; F120-E137 HydrophobicContact CE1-CG 4.4Å; F120-E137 HydrophobicContact CZ-CB 4.43Å; F120-I141 HydrophobicContact CE1-CD1 4.28Å; F120-I141 HydrophobicContact CZ-CD1 4.26Å; F120-I141 HydrophobicContact CZ-CG1 4.25Å; F120-Y442 HydrophobicContact CD2-CD2 4.47Å; F120-M484 HydrophobicContact CD2-CB 4.29Å; F120-M484 HydrophobicContact CD2-CG 4.17Å; F120-M484 HydrophobicContact CE2-CG 4.29Å; F120-M484 VanDerWaalsContact O-CB 3.31Å; F120-M484 WeakPolarHBondContact O-CB 3.32Å; F120-W486 AromaticContact CD1-CZ2 3.94Å; F120-W486 HydrophobicContact CD1-CZ2 3.94Å; F120-W486 HydrophobicContact CD2-CZ2 4.21Å; F120-W486 AromaticContact CE1-CH2 3.98Å; F120-W486 HydrophobicContact CE1-CH2 3.98Å; F120-W486 AromaticContact CE1-CZ2 3.51Å; F120-W486 HydrophobicContact CE1-CZ2 3.51Å; F120-W486 HydrophobicContact CE2-CH2 4.17Å; F120-W486 AromaticContact CE2-CZ2 3.74Å; F120-W486 HydrophobicContact CE2-CZ2 3.74Å; F120-W486 HydrophobicContact CG-CZ2 4.33Å; F120-W486 AromaticContact CZ-CH2 3.61Å; F120-W486 HydrophobicContact CZ-CH2 3.61Å; F120-W486 AromaticContact CZ-CZ2 3.39Å; F120-W486 HydrophobicContact CZ-CZ2 3.39Å; F120-W486 PolarHBondContact O-NE1 2.85Å
121	K	98.4	Very high	97.6	Very high	35 Å²	35	16.9 Å²	16.9	15%	0.152	10%	0.102	C	C	.	.			trans	-161.4	127.5	-179.9	-172.6	170.8	175.9	-166.6	0	111.2	G129 D130 G133 S136 E137 R492	K121-G129 VanDerWaalsContact C-CA 3.46Å; K121-G129 WeakPolarHBondContact O-CA 2.79Å; K121-D130 PolarHBondContact O-N 2.82Å; K121-G133 WeakPolarHBondContact O-CA 3.47Å; K121-S136 PolarHBondContact NZ-OG 2.84Å; K121-E137 HydrophobicContact CD-CG 3.62Å; K121-E137 IonicContact NZ-OE1 3.68Å; K121-E137 PolarHBondContact NZ-OE1 2.9Å; K121-R492 WeakPolarHBondContact CE-O 2.99Å
122	D	98.6	Very high	97.8	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.043	12%	0.117	C	C	.	.			trans	-86.1	133.2	175.7	171.4	11.3	0	0	0	109.6	N124 G125 D126 L127 V128 F493 S494	D122-N124 PolarHBondContact OD1-N 3.38Å; D122-N124 PolarHBondContact OD1-OD1 2.9Å; D122-N124 VanDerWaalsContact OD1-OD1 3.1Å; D122-G125 PolarHBondContact OD1-N 2.84Å; D122-G125 VanDerWaalsContact OD2-C 3.32Å; D122-G125 WeakPolarHBondContact OD2-CA 3.4Å; D122-G125 PolarHBondContact OD2-N 2.71Å; D122-D126 PolarHBondContact OD2-N 3.3Å; D122-L127 WeakPolarHBondContact OD2-CA 3.45Å; D122-L127 PolarHBondContact OD2-N 3.45Å; D122-V128 WeakPolarHBondContact CA-O 3.37Å; D122-V128 WeakPolarHBondContact CB-O 3.18Å; D122-F493 WeakPolarHBondContact CB-O 3.45Å; D122-F493 PolarHBondContact N-O 3.31Å; D122-S494 WeakPolarHBondContact OD2-CB 3.17Å; D122-S494 PolarHBondContact OD2-OG 3.2Å
123	S	98.4	Very high	97.9	Very high	67 Å²	67	19.8 Å²	19.8	47%	0.469	12%	0.117	S	C	.	.	S	Bend	trans	-111.1	-14.2	175.3	77.5	0	0	0	0	114.6	D130	S123-D130 WeakPolarHBondContact CB-OD2 2.97Å; S123-D130 PolarHBondContact N-OD2 3.03Å; S123-D130 PolarHBondContact OG-OD1 2.66Å; S123-D130 PolarHBondContact OG-OD2 3.25Å
124	N	97.9	Very high	97.9	Very high	99 Å²	99	19.8 Å²	19.8	53%	0.529	12%	0.117	S	C	.	.	S	Bend	trans	-108.5	-12.7	-171.9	76.5	16.7	0	0	0	113.4	D122 D126	D122-N124 PolarHBondContact OD1-N 3.38Å; D122-N124 PolarHBondContact OD1-OD1 2.9Å; D122-N124 VanDerWaalsContact OD1-OD1 3.1Å; N124-D126 PolarHBondContact ND2-OD2 3.45Å; N124-D126 VanDerWaalsContact OD1-CB 3.32Å; N124-D126 WeakPolarHBondContact OD1-CB 3.38Å; N124-D126 PolarHBondContact OD1-N 3.38Å; N124-D126 PolarHBondContact OD1-OD1 3.12Å; N124-D126 PolarHBondContact OD1-OD2 2.81Å
125	G	97.2	Very high	98	Very high	33 Å²	33	20.6 Å²	20.6	34%	0.34	12%	0.122	S	C	.	.	S	Bend	trans	90.1	14	176.9	0	0	0	0	0	115.5	D122 L127 A496	D122-G125 PolarHBondContact OD1-N 2.84Å; D122-G125 VanDerWaalsContact OD2-C 3.32Å; D122-G125 WeakPolarHBondContact OD2-CA 3.4Å; D122-G125 PolarHBondContact OD2-N 2.71Å; G125-L127 VanDerWaalsContact C-N 3.31Å; G125-A496 WeakPolarHBondContact O-CB 3.31Å
126	D	97	Very high	98	Very high	60 Å²	60	23.6 Å²	23.6	32%	0.321	14%	0.142	S	C	.	.	S	Bend	trans	-86.9	1.6	176.9	70.6	14.3	0	0	0	114.1	D122 N124 V128 Q463	D122-D126 PolarHBondContact OD2-N 3.3Å; N124-D126 PolarHBondContact ND2-OD2 3.45Å; N124-D126 VanDerWaalsContact OD1-CB 3.32Å; N124-D126 WeakPolarHBondContact OD1-CB 3.38Å; N124-D126 PolarHBondContact OD1-N 3.38Å; N124-D126 PolarHBondContact OD1-OD1 3.12Å; N124-D126 PolarHBondContact OD1-OD2 2.81Å; D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 WeakPolarHBondContact OD1-CA 3.36Å; D126-V128 VanDerWaalsContact OD1-CB 3.27Å; D126-V128 WeakPolarHBondContact OD1-CB 3.45Å; D126-V128 PolarHBondContact OD1-N 3.26Å; D126-Q463 PolarHBondContact O-NE2 2.9Å
127	L	97	Very high	98	Very high	38 Å²	38	24.4 Å²	24.4	20%	0.199	15%	0.146	C	C	.	.	S	Bend	trans	72.7	13.4	-178	-50.6	162.2	0	0	0	114.5	D122 G125 K459 A496 I497	D122-L127 WeakPolarHBondContact OD2-CA 3.45Å; D122-L127 PolarHBondContact OD2-N 3.45Å; G125-L127 VanDerWaalsContact C-N 3.31Å; L127-K459 WeakPolarHBondContact CD1-O 3.28Å; L127-A496 HydrophobicContact CD2-CB 3.86Å; L127-A496 HydrophobicContact CG-CB 4.34Å; L127-I497 HydrophobicContact CD2-CD1 4.27Å; L127-I497 HydrophobicContact CD2-CG1 3.51Å
128	V	97.9	Very high	97.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	15%	0.149	C	C	.	.	S	Bend	trans	-118.9	135.1	177.4	-172.8	0	0	0	0	109.2	F118 D122 D126 Y160 A179 Y461	F118-V128 HydrophobicContact CB-CG1 4.01Å; F118-V128 HydrophobicContact CD1-CG1 3.76Å; F118-V128 HydrophobicContact CG-CG1 4.37Å; D122-V128 WeakPolarHBondContact CA-O 3.37Å; D122-V128 WeakPolarHBondContact CB-O 3.18Å; D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 WeakPolarHBondContact OD1-CA 3.36Å; D126-V128 VanDerWaalsContact OD1-CB 3.27Å; D126-V128 WeakPolarHBondContact OD1-CB 3.45Å; D126-V128 PolarHBondContact OD1-N 3.26Å; V128-Y160 HydrophobicContact CB-CE1 4.4Å; V128-Y160 HydrophobicContact CG1-CD1 4.2Å; V128-Y160 HydrophobicContact CG1-CE1 3.87Å; V128-Y160 HydrophobicContact CG2-CE1 3.7Å; V128-Y160 WeakPolarHBondContact CG2-OH 3.19Å; V128-A179 HydrophobicContact CG1-CB 4.3Å; V128-Y461 HydrophobicContact CG1-CD2 4.15Å; V128-Y461 HydrophobicContact CG1-CE2 4.49Å
129	G	98.5	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.			trans	-68.7	146.7	178	0	0	0	0	0	113.1	V117 F118 K121	V117-G129 CarbonylContact O-C 3.5Å; V117-G129 WeakPolarHBondContact O-CA 3.33Å; F118-G129 WeakPolarHBondContact CA-O 3.47Å; F118-G129 WeakPolarHBondContact O-CA 3.2Å; F118-G129 PolarHBondContact O-N 2.94Å; K121-G129 VanDerWaalsContact C-CA 3.46Å; K121-G129 WeakPolarHBondContact O-CA 2.79Å
130	D	98.8	Very high	97.6	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	18%	0.178	C	C	.	.			trans	-138	171.1	-175.7	67.9	54.8	0	0	0	111.6	K121 S123 N132 G133 F134	K121-D130 PolarHBondContact O-N 2.82Å; S123-D130 WeakPolarHBondContact CB-OD2 2.97Å; S123-D130 PolarHBondContact N-OD2 3.03Å; S123-D130 PolarHBondContact OG-OD1 2.66Å; S123-D130 PolarHBondContact OG-OD2 3.25Å; D130-N132 VanDerWaalsContact C-N 3.27Å; D130-N132 PolarHBondContact O-N 2.9Å; D130-N132 WeakPolarHBondContact OD1-CA 3.49Å; D130-N132 WeakPolarHBondContact OD1-CB 3.45Å; D130-N132 PolarHBondContact OD1-N 2.82Å; D130-G133 PolarHBondContact O-N 2.84Å; D130-G133 PolarHBondContact OD1-N 2.8Å; D130-F134 WeakPolarHBondContact O-CB 3.49Å; D130-F134 PolarHBondContact O-N 3.38Å
131	L	98.9	Very high	97.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-31.8	-177	-66	172.7	0	0	0	113	V117 L135 I155 L176 V180 D185 F186 L189	V117-L131 HydrophobicContact CG1-CD2 4.2Å; L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 PolarHBondContact O-N 2.84Å; L131-I155 HydrophobicContact CD2-CD1 4.33Å; L131-L176 HydrophobicContact CD1-CD1 4.04Å; L131-V180 HydrophobicContact CD1-CG1 4.22Å; L131-V180 HydrophobicContact CD2-CG2 4.21Å; L131-V180 HydrophobicContact CG-CG1 4.31Å; L131-V180 HydrophobicContact CG-CG2 4.06Å; L131-V180 VanDerWaalsContact CG-O 3.3Å; L131-V180 WeakPolarHBondContact CG-O 3.37Å; L131-V180 PolarHBondContact N-O 2.78Å; L131-D185 HydrophobicContact CB-CB 4.3Å; L131-D185 HydrophobicContact CD1-CB 4.28Å; L131-F186 HydrophobicContact CD1-CB 3.82Å; L131-F186 HydrophobicContact CD1-CD2 4.28Å; L131-L189 HydrophobicContact CB-CD1 4.17Å; L131-L189 HydrophobicContact CD2-CD1 3.69Å; L131-L189 HydrophobicContact CG-CD1 4.45Å
132	N	98.8	Very high	97	Very high	61 Å²	61	32.2 Å²	32.2	33%	0.326	19%	0.185	S	C	.	.	H	α-helix	trans	-74.3	-41	179.7	-75.4	-42.6	0	0	0	110.8	D130 L135 S136 D185	D130-N132 VanDerWaalsContact C-N 3.27Å; D130-N132 PolarHBondContact O-N 2.9Å; D130-N132 WeakPolarHBondContact OD1-CA 3.49Å; D130-N132 WeakPolarHBondContact OD1-CB 3.45Å; D130-N132 PolarHBondContact OD1-N 2.82Å; N132-L135 PolarHBondContact O-N 2.79Å; N132-S136 WeakPolarHBondContact O-CB 3.34Å; N132-S136 PolarHBondContact O-N 2.77Å; N132-D185 PolarHBondContact ND2-OD1 2.8Å; N132-D185 PolarHBondContact OD1-OD1 2.84Å
133	G	98.7	Very high	96.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-47.1	170.8	0	0	0	0	0	111.4	K121 D130 S136	K121-G133 WeakPolarHBondContact O-CA 3.47Å; D130-G133 PolarHBondContact O-N 2.84Å; D130-G133 PolarHBondContact OD1-N 2.8Å; G133-S136 WeakPolarHBondContact O-CB 3.34Å; G133-S136 PolarHBondContact O-N 2.8Å; G133-S136 PolarHBondContact O-OG 2.84Å
134	F	98.5	Very high	94.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-47.3	174.7	177.6	-104	0	0	0	112.9	V115 V117 F120 D130 S136 E137 I141 V150 L152 L189 F193	V115-F134 HydrophobicContact CB-CE2 4.03Å; V115-F134 HydrophobicContact CG1-CD2 4.13Å; V115-F134 HydrophobicContact CG1-CE2 3.88Å; V115-F134 HydrophobicContact CG2-CE2 4.02Å; V117-F134 HydrophobicContact CG1-CB 4.2Å; F120-F134 HydrophobicContact CD1-CB 4.21Å; F120-F134 AromaticContact CD1-CD2 3.45Å; F120-F134 HydrophobicContact CD1-CD2 3.45Å; F120-F134 VanDerWaalsContact CD1-CD2 3.45Å; F120-F134 HydrophobicContact CD1-CE2 4.3Å; F120-F134 HydrophobicContact CD1-CG 4.28Å; F120-F134 AromaticContact CE1-CD2 3.59Å; F120-F134 HydrophobicContact CE1-CD2 3.59Å; F120-F134 HydrophobicContact CE1-CE2 4.13Å; F120-F134 HydrophobicContact CE1-CG 4.5Å; F120-F134 HydrophobicContact CG-CD2 4.03Å; F120-F134 HydrophobicContact CZ-CD2 4.35Å; F120-F134 HydrophobicContact CZ-CE2 4.49Å; D130-F134 WeakPolarHBondContact O-CB 3.49Å; D130-F134 PolarHBondContact O-N 3.38Å; F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 2.89Å; F134-E137 PolarHBondContact O-N 2.62Å; F134-I141 HydrophobicContact CD2-CD1 4.09Å; F134-I141 HydrophobicContact CE1-CD1 4.31Å; F134-I141 HydrophobicContact CE2-CD1 3.46Å; F134-I141 VanDerWaalsContact CE2-CD1 3.46Å; F134-I141 HydrophobicContact CZ-CD1 3.61Å; F134-V150 HydrophobicContact CE1-CG2 4.49Å; F134-V150 HydrophobicContact CZ-CB 4.27Å; F134-V150 HydrophobicContact CZ-CG1 4.13Å; F134-V150 HydrophobicContact CZ-CG2 4.22Å; F134-L152 HydrophobicContact CD1-CD2 4.45Å; F134-L152 HydrophobicContact CE1-CD2 3.61Å; F134-L152 HydrophobicContact CE2-CD2 4.19Å; F134-L152 HydrophobicContact CZ-CD2 3.47Å; F134-L152 VanDerWaalsContact CZ-CD2 3.47Å; F134-L189 HydrophobicContact CD1-CD1 3.59Å; F134-L189 HydrophobicContact CD1-CG 4.42Å; F134-L189 HydrophobicContact CE1-CD1 4.04Å; F134-F193 HydrophobicContact CD1-CE2 4.37Å; F134-F193 AromaticContact CD1-CZ 3.86Å; F134-F193 HydrophobicContact CD1-CZ 3.86Å; F134-F193 AromaticContact CE1-CE1 3.67Å; F134-F193 HydrophobicContact CE1-CE1 3.67Å; F134-F193 HydrophobicContact CE1-CE2 4.05Å; F134-F193 AromaticContact CE1-CZ 3.2Å; F134-F193 HydrophobicContact CE1-CZ 3.2Å; F134-F193 AromaticContact CZ-CE1 3.96Å; F134-F193 HydrophobicContact CZ-CE1 3.96Å; F134-F193 AromaticContact CZ-CZ 3.77Å; F134-F193 HydrophobicContact CZ-CZ 3.77Å
135	L	98.4	Very high	93.4	Very high	18 Å²	18	27.7 Å²	27.7	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-35.1	176.6	173.4	60.8	0	0	0	112.5	L131 N132 E137 V138 H188 R192 F193	L131-L135 WeakPolarHBondContact O-CB 3.44Å; L131-L135 PolarHBondContact O-N 2.84Å; N132-L135 PolarHBondContact O-N 2.79Å; L135-E137 PolarHBondContact O-N 2.97Å; L135-E137 VanDerWaalsContact O-N 3.09Å; L135-V138 HydrophobicContact CD1-CB 4.4Å; L135-V138 VanDerWaalsContact O-CB 3.32Å; L135-V138 WeakPolarHBondContact O-CB 3.3Å; L135-V138 WeakPolarHBondContact O-CG1 3.41Å; L135-V138 PolarHBondContact O-N 3.44Å; L135-H188 WeakPolarHBondContact CD2-CD2 3.3Å; L135-R192 HydrophobicContact CD1-CB 3.49Å; L135-R192 VanDerWaalsContact CD1-CB 3.49Å; L135-R192 HydrophobicContact CD1-CG 4.06Å; L135-R192 HydrophobicContact CD2-CG 4.26Å; L135-F193 HydrophobicContact CD1-CD2 4.01Å; L135-F193 HydrophobicContact CD1-CE2 3.79Å
136	S	98	Very high	92.4	Very high	62 Å²	62	27 Å²	27	43%	0.434	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-23	180	80	0	0	0	0	113.3	K121 N132 G133 F134	K121-S136 PolarHBondContact NZ-OG 2.84Å; N132-S136 WeakPolarHBondContact O-CB 3.34Å; N132-S136 PolarHBondContact O-N 2.77Å; G133-S136 WeakPolarHBondContact O-CB 3.34Å; G133-S136 PolarHBondContact O-N 2.8Å; G133-S136 PolarHBondContact O-OG 2.84Å; F134-S136 VanDerWaalsContact C-N 3.26Å; F134-S136 PolarHBondContact O-N 2.89Å
137	E	96.7	Very high	91.6	Very high	22 Å²	22	24.2 Å²	24.2	10%	0.103	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	18.3	-179.5	-61.8	-67.6	162	0	0	112.5	F120 K121 F134 L135 N139 Y140 I141 W486 R492	F120-E137 HydrophobicContact CE1-CB 3.91Å; F120-E137 HydrophobicContact CE1-CG 4.4Å; F120-E137 HydrophobicContact CZ-CB 4.43Å; K121-E137 HydrophobicContact CD-CG 3.62Å; K121-E137 IonicContact NZ-OE1 3.68Å; K121-E137 PolarHBondContact NZ-OE1 2.9Å; F134-E137 PolarHBondContact O-N 2.62Å; L135-E137 PolarHBondContact O-N 2.97Å; L135-E137 VanDerWaalsContact O-N 3.09Å; E137-N139 PolarHBondContact O-N 3.32Å; E137-N139 VanDerWaalsContact O-N 3.13Å; E137-Y140 WeakPolarHBondContact O-CA 3.18Å; E137-Y140 VanDerWaalsContact O-CB 3.31Å; E137-Y140 WeakPolarHBondContact O-CB 3.44Å; E137-Y140 PolarHBondContact O-N 3.21Å; E137-I141 PolarHBondContact O-N 2.78Å; E137-W486 HydrophobicContact CB-CH2 3.72Å; E137-W486 HydrophobicContact CB-CZ2 4.14Å; E137-W486 HydrophobicContact CB-CZ3 4.43Å; E137-W486 HydrophobicContact CG-CH2 3.52Å; E137-W486 HydrophobicContact CG-CZ2 3.69Å; E137-W486 HydrophobicContact CG-CZ3 4.02Å; E137-W486 WeakPolarHBondContact OE2-CZ3 3.38Å; E137-R492 IonicContact OE1-NH2 3.06Å; E137-R492 PolarHBondContact OE1-NH2 2.99Å; E137-R492 VanDerWaalsContact OE1-NH2 3.13Å; E137-R492 IonicContact OE2-NH2 2.93Å
138	V	96.6	Very high	91.4	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	14%	0.14	C	C	.	.	H	α-helix	trans	-55.6	-32.9	178.6	68.2	0	0	0	0	113.4	L135 I141 K142 F193 K196 L198	L135-V138 HydrophobicContact CD1-CB 4.4Å; L135-V138 VanDerWaalsContact O-CB 3.32Å; L135-V138 WeakPolarHBondContact O-CB 3.3Å; L135-V138 WeakPolarHBondContact O-CG1 3.41Å; L135-V138 PolarHBondContact O-N 3.44Å; V138-I141 PolarHBondContact O-N 2.82Å; V138-K142 WeakPolarHBondContact O-CB 3.47Å; V138-K142 PolarHBondContact O-N 2.94Å; V138-F193 HydrophobicContact CB-CE2 4.07Å; V138-F193 HydrophobicContact CB-CZ 4.42Å; V138-F193 HydrophobicContact CG2-CD2 3.94Å; V138-F193 HydrophobicContact CG2-CE2 3.73Å; V138-F193 HydrophobicContact CG2-CG 4.46Å; V138-F193 HydrophobicContact CG2-CZ 4.05Å; V138-K196 HydrophobicContact CB-CD 4.43Å; V138-K196 HydrophobicContact CG1-CD 3.94Å; V138-K196 HydrophobicContact CG2-CD 3.61Å; V138-L198 HydrophobicContact CG2-CD1 3.69Å
139	N	93.7	Very high	91.3	Very high	105 Å²	105	22.5 Å²	22.5	56%	0.561	14%	0.14	S	C	*	.	H	α-helix	trans	-71	-35.4	176.6	-70.8	-28.8	0	0	0	112	E137 G143 K196	E137-N139 PolarHBondContact O-N 3.32Å; E137-N139 VanDerWaalsContact O-N 3.13Å; N139-G143 WeakPolarHBondContact O-CA 3.45Å; N139-G143 PolarHBondContact O-N 3.33Å; N139-K196 WeakPolarHBondContact OD1-CE 3.38Å; N139-K196 PolarHBondContact OD1-NZ 3.28Å
140	Y	93.2	Very high	91.3	Very high	15 Å²	15	22.5 Å²	22.5	6%	0.059	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-49.9	171	174.9	-91.1	0	0	0	109.6	E137 K142 V144 I145 M484 W486 V515 V519 Y528	E137-Y140 WeakPolarHBondContact O-CA 3.18Å; E137-Y140 VanDerWaalsContact O-CB 3.31Å; E137-Y140 WeakPolarHBondContact O-CB 3.44Å; E137-Y140 PolarHBondContact O-N 3.21Å; Y140-K142 PolarHBondContact O-N 2.98Å; Y140-V144 HydrophobicContact CD2-CB 3.85Å; Y140-V144 HydrophobicContact CD2-CG1 3.95Å; Y140-V144 HydrophobicContact CD2-CG2 3.85Å; Y140-V144 HydrophobicContact CE2-CB 4.02Å; Y140-V144 HydrophobicContact CE2-CG1 3.58Å; Y140-V144 HydrophobicContact CE2-CG2 4.27Å; Y140-V144 HydrophobicContact CG-CB 4.28Å; Y140-V144 WeakPolarHBondContact O-CA 3.25Å; Y140-V144 WeakPolarHBondContact O-CB 3.3Å; Y140-V144 PolarHBondContact O-N 2.86Å; Y140-I145 HydrophobicContact CE1-CD1 4.11Å; Y140-I145 HydrophobicContact CE1-CG1 4.16Å; Y140-I145 PolarHBondContact O-N 2.87Å; Y140-M484 HydrophobicContact CE1-CE 4.35Å; Y140-W486 AromaticContact CD1-CH2 3.69Å; Y140-W486 HydrophobicContact CD1-CH2 3.69Å; Y140-W486 AromaticContact CD1-CZ3 3.92Å; Y140-W486 HydrophobicContact CD1-CZ3 3.92Å; Y140-W486 HydrophobicContact CD2-CZ3 4.03Å; Y140-W486 AromaticContact CE1-CH2 3.98Å; Y140-W486 HydrophobicContact CE1-CH2 3.98Å; Y140-W486 HydrophobicContact CE1-CZ3 4.14Å; Y140-W486 HydrophobicContact CE2-CZ3 4.24Å; Y140-W486 HydrophobicContact CG-CH2 4.05Å; Y140-W486 AromaticContact CG-CZ3 3.87Å; Y140-W486 HydrophobicContact CG-CZ3 3.87Å; Y140-V515 HydrophobicContact CD2-CG1 4.11Å; Y140-V515 HydrophobicContact CE2-CG1 3.58Å; Y140-V515 HydrophobicContact CE2-CG2 4.33Å; Y140-V519 HydrophobicContact CE2-CG2 4.22Å; Y140-Y528 HydrophobicContact CE2-CE2 4.21Å
141	I	93.9	Very high	91.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.2	-47.4	179.5	-63.6	165.8	0	0	0	111.8	Y113 F120 F134 E137 V138 I145 S147 V150 F193 L198	Y113-I141 HydrophobicContact CD1-CG1 4.2Å; Y113-I141 HydrophobicContact CD1-CG2 4.18Å; Y113-I141 HydrophobicContact CE1-CG1 4.24Å; F120-I141 HydrophobicContact CE1-CD1 4.28Å; F120-I141 HydrophobicContact CZ-CD1 4.26Å; F120-I141 HydrophobicContact CZ-CG1 4.25Å; F134-I141 HydrophobicContact CD2-CD1 4.09Å; F134-I141 HydrophobicContact CE1-CD1 4.31Å; F134-I141 HydrophobicContact CE2-CD1 3.46Å; F134-I141 VanDerWaalsContact CE2-CD1 3.46Å; F134-I141 HydrophobicContact CZ-CD1 3.61Å; E137-I141 PolarHBondContact O-N 2.78Å; V138-I141 PolarHBondContact O-N 2.82Å; I141-I145 WeakPolarHBondContact O-CB 3.13Å; I141-I145 PolarHBondContact O-N 2.94Å; I141-S147 PolarHBondContact O-N 2.91Å; I141-V150 HydrophobicContact CG2-CG1 3.62Å; I141-F193 HydrophobicContact CD1-CE1 4.42Å; I141-F193 HydrophobicContact CD1-CZ 4.01Å; I141-L198 HydrophobicContact CG2-CD1 4.33Å
142	K	91.2	Very high	91.3	Very high	69 Å²	69	22.3 Å²	22.3	30%	0.3	14%	0.139	S	C	.	.	H	α-helix	trans	-73.1	-51.3	-179.5	-174.9	64.1	174.9	-171.9	0	112.8	V138 Y140 G146 S147 K196 D197 L198	V138-K142 WeakPolarHBondContact O-CB 3.47Å; V138-K142 PolarHBondContact O-N 2.94Å; Y140-K142 PolarHBondContact O-N 2.98Å; K142-G146 VanDerWaalsContact O-CA 3.22Å; K142-G146 WeakPolarHBondContact O-CA 3.38Å; K142-G146 PolarHBondContact O-N 3.43Å; K142-S147 WeakPolarHBondContact CD-O 3.33Å; K142-K196 VanDerWaalsContact CE-O 3.24Å; K142-K196 WeakPolarHBondContact CE-O 3.35Å; K142-K196 PolarHBondContact NZ-O 2.99Å; K142-D197 PolarHBondContact NZ-O 2.7Å; K142-D197 VanDerWaalsContact NZ-O 3.15Å; K142-L198 HydrophobicContact CB-CD1 4.19Å; K142-L198 HydrophobicContact CB-CD2 4.46Å; K142-L198 HydrophobicContact CD-CD2 3.63Å; K142-L198 HydrophobicContact CD-CG 3.94Å
143	G	79.4	Confident	91.2	Very high	58 Å²	58	19.8 Å²	19.8	60%	0.598	13%	0.127	S	C	*	.	H	α-helix	trans	-82.5	-35.8	-168.3	0	0	0	0	0	113.2	N139	N139-G143 WeakPolarHBondContact O-CA 3.45Å; N139-G143 PolarHBondContact O-N 3.33Å
144	V	68.7	Low	91.2	Very high	22 Å²	22	20.2 Å²	20.2	13%	0.133	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-53.2	-175.9	168.1	0	0	0	0	110.6	Y140 G146 Y528 Q532	Y140-V144 HydrophobicContact CD2-CB 3.85Å; Y140-V144 HydrophobicContact CD2-CG1 3.95Å; Y140-V144 HydrophobicContact CD2-CG2 3.85Å; Y140-V144 HydrophobicContact CE2-CB 4.02Å; Y140-V144 HydrophobicContact CE2-CG1 3.58Å; Y140-V144 HydrophobicContact CE2-CG2 4.27Å; Y140-V144 HydrophobicContact CG-CB 4.28Å; Y140-V144 WeakPolarHBondContact O-CA 3.25Å; Y140-V144 WeakPolarHBondContact O-CB 3.3Å; Y140-V144 PolarHBondContact O-N 2.86Å; V144-G146 PolarHBondContact O-N 2.78Å; V144-G146 VanDerWaalsContact O-N 3.16Å; V144-Y528 HydrophobicContact CG1-CD2 4.39Å; V144-Y528 HydrophobicContact CG1-CE2 3.23Å; V144-Y528 WeakPolarHBondContact CG1-OH 3.5Å; V144-Y528 VanDerWaalsContact CG2-OH 3.27Å; V144-Y528 WeakPolarHBondContact CG2-OH 3.3Å; V144-Q532 PolarHBondContact O-NE2 3.28Å; V144-Q532 PolarHBondContact O-OE1 3.2Å
145	I	70.6	Confident	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-72.6	-11.8	177.1	-50.1	-60.8	0	0	0	111.4	Y113 Y140 I141 S147 I440 E445 I535	Y113-I145 HydrophobicContact CD1-CG1 4.3Å; Y113-I145 HydrophobicContact CD2-CB 4.42Å; Y113-I145 HydrophobicContact CD2-CD1 4.4Å; Y113-I145 HydrophobicContact CD2-CG1 4.07Å; Y113-I145 HydrophobicContact CD2-CG2 3.66Å; Y113-I145 HydrophobicContact CE1-CG1 4.2Å; Y113-I145 HydrophobicContact CE2-CD1 3.97Å; Y113-I145 HydrophobicContact CE2-CG1 3.97Å; Y113-I145 HydrophobicContact CE2-CG2 4.28Å; Y113-I145 HydrophobicContact CG-CB 4.44Å; Y113-I145 HydrophobicContact CG-CG1 4.24Å; Y113-I145 HydrophobicContact CG-CG2 3.91Å; Y140-I145 HydrophobicContact CE1-CD1 4.11Å; Y140-I145 HydrophobicContact CE1-CG1 4.16Å; Y140-I145 PolarHBondContact O-N 2.87Å; I141-I145 WeakPolarHBondContact O-CB 3.13Å; I141-I145 PolarHBondContact O-N 2.94Å; I145-S147 PolarHBondContact O-N 2.99Å; I145-I440 HydrophobicContact CG2-CD1 4.11Å; I145-E445 HydrophobicContact CD1-CB 4.08Å; I145-E445 HydrophobicContact CD1-CG 3.63Å; I145-I535 WeakPolarHBondContact O-CD1 3.46Å
146	G	76.8	Confident	91.2	Very high	19 Å²	19	19.7 Å²	19.7	20%	0.196	13%	0.127	C	C	.	.			trans	55.3	25.5	-173.4	0	0	0	0	0	111.7	K142 V144	K142-G146 VanDerWaalsContact O-CA 3.22Å; K142-G146 WeakPolarHBondContact O-CA 3.38Å; K142-G146 PolarHBondContact O-N 3.43Å; V144-G146 PolarHBondContact O-N 2.78Å; V144-G146 VanDerWaalsContact O-N 3.16Å
147	S	79.5	Confident	91.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.9	-173.4	178.6	0	0	0	0	109.7	V111 I141 K142 I145 F149 L198	V111-S147 VanDerWaalsContact O-CA 3.31Å; V111-S147 WeakPolarHBondContact O-CA 3.23Å; V111-S147 PolarHBondContact O-OG 3.43Å; V111-S147 VanDerWaalsContact O-OG 3.07Å; I141-S147 PolarHBondContact O-N 2.91Å; K142-S147 WeakPolarHBondContact CD-O 3.33Å; I145-S147 PolarHBondContact O-N 2.99Å; S147-F149 PolarHBondContact OG-N 2.93Å; S147-F149 VanDerWaalsContact OG-N 3.17Å; S147-F149 PolarHBondContact OG-O 2.79Å; S147-L198 WeakPolarHBondContact O-CD2 3.19Å
148	G	92.1	Very high	91.3	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-10.5	167.1	0	0	0	0	0	112.9	V111 L198 K199	V111-G148 PolarHBondContact O-N 3.42Å; G148-L198 WeakPolarHBondContact O-CA 3.01Å; G148-K199 PolarHBondContact O-N 3.08Å
149	F	97	Very high	91.3	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	144.8	176.2	69.6	-81.8	0	0	0	112.7	F106 W107 E110 G112 Y113 S147 I151 K199 V201 I437 I439	F106-F149 HydrophobicContact CD2-CB 3.7Å; F106-F149 AromaticContact CD2-CD1 3.82Å; F106-F149 HydrophobicContact CD2-CD1 3.82Å; F106-F149 AromaticContact CD2-CG 3.81Å; F106-F149 HydrophobicContact CD2-CG 3.81Å; F106-F149 HydrophobicContact CE2-CB 3.59Å; F106-F149 HydrophobicContact CE2-CD1 4.1Å; F106-F149 HydrophobicContact CE2-CD2 4.04Å; F106-F149 AromaticContact CE2-CG 3.67Å; F106-F149 HydrophobicContact CE2-CG 3.67Å; W107-F149 HydrophobicContact CB-CE1 4.44Å; W107-F149 HydrophobicContact CB-CZ 4.39Å; E110-F149 HydrophobicContact CB-CD1 4.21Å; G112-F149 CarbonylContact C-O 3.41Å; G112-F149 WeakPolarHBondContact CA-O 3.42Å; G112-F149 VanDerWaalsContact N-CE1 3.35Å; Y113-F149 PolarHBondContact N-O 3.4Å; S147-F149 PolarHBondContact OG-N 2.93Å; S147-F149 VanDerWaalsContact OG-N 3.17Å; S147-F149 PolarHBondContact OG-O 2.79Å; F149-I151 HydrophobicContact CD2-CG1 4.16Å; F149-I151 HydrophobicContact CE2-CD1 4.1Å; F149-I151 HydrophobicContact CE2-CG1 4Å; F149-K199 CarbonylContact C-O 3.39Å; F149-K199 WeakPolarHBondContact CA-O 3.45Å; F149-K199 HydrophobicContact CB-CB 3.71Å; F149-V201 HydrophobicContact CD2-CG2 4.18Å; F149-I437 HydrophobicContact CZ-CG2 4.17Å; F149-I439 HydrophobicContact CZ-CG1 4.42Å
150	V	98.1	Very high	91.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.8	172.5	-61.6	0	0	0	0	110.5	Y113 F134 I141 L152 F193 K199 V200 V201	Y113-V150 CarbonylContact O-C 3.6Å; Y113-V150 VanDerWaalsContact O-CA 3.22Å; Y113-V150 WeakPolarHBondContact O-CA 3.37Å; F134-V150 HydrophobicContact CE1-CG2 4.49Å; F134-V150 HydrophobicContact CZ-CB 4.27Å; F134-V150 HydrophobicContact CZ-CG1 4.13Å; F134-V150 HydrophobicContact CZ-CG2 4.22Å; I141-V150 HydrophobicContact CG2-CG1 3.62Å; V150-L152 HydrophobicContact CB-CD2 4.24Å; V150-L152 HydrophobicContact CG2-CD2 3.88Å; V150-L152 HydrophobicContact CG2-CG 4.41Å; V150-F193 HydrophobicContact CB-CE1 4.44Å; V150-F193 HydrophobicContact CG1-CE1 3.85Å; V150-F193 HydrophobicContact CG2-CD1 3.97Å; V150-F193 HydrophobicContact CG2-CE1 3.72Å; V150-K199 PolarHBondContact N-O 3.4Å; V150-V200 HydrophobicContact CG2-CB 4.37Å; V150-V200 HydrophobicContact CG2-CG1 4.33Å; V150-V200 HydrophobicContact CG2-CG2 4.04Å; V150-V201 WeakPolarHBondContact O-CB 3.33Å; V150-V201 PolarHBondContact O-N 2.97Å
151	I	98.5	Very high	91.7	Very high	4 Å²	4	14 Å²	14	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110.9	165.5	-55.4	174.8	0	0	0	105.8	Y113 W114 V115 F149 V201 T203 L288 I439	Y113-I151 PolarHBondContact O-N 2.89Å; W114-I151 CarbonylContact C-O 3.57Å; W114-I151 WeakPolarHBondContact CA-O 3.23Å; W114-I151 HydrophobicContact CB-CB 4.08Å; W114-I151 VanDerWaalsContact CD1-O 3.26Å; W114-I151 HydrophobicContact CD2-CG2 4.3Å; W114-I151 HydrophobicContact CG-CB 3.97Å; W114-I151 HydrophobicContact CG-CG2 4.05Å; V115-I151 PolarHBondContact N-O 3.13Å; F149-I151 HydrophobicContact CD2-CG1 4.16Å; F149-I151 HydrophobicContact CE2-CD1 4.1Å; F149-I151 HydrophobicContact CE2-CG1 4Å; I151-V201 WeakPolarHBondContact CA-O 3.48Å; I151-V201 HydrophobicContact CB-CB 4.5Å; I151-V201 HydrophobicContact CG1-CB 4.12Å; I151-V201 HydrophobicContact CG1-CG1 4.25Å; I151-V201 HydrophobicContact CG2-CG1 4.36Å; I151-T203 WeakPolarHBondContact CG2-OG1 3.5Å; I151-L288 HydrophobicContact CG2-CB 4.13Å; I151-L288 HydrophobicContact CG2-CD2 3.69Å; I151-I439 HydrophobicContact CD1-CD1 4Å; I151-I439 HydrophobicContact CD1-CG1 4.49Å; I151-I439 HydrophobicContact CD1-CG2 4.25Å
152	L	98.6	Very high	91.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.4	173	-51.7	-171.8	0	0	0	107.6	V117 F134 V150 I155 V200 V201 L202 T203	V117-L152 HydrophobicContact CG2-CB 4.33Å; V117-L152 HydrophobicContact CG2-CD1 4.4Å; V117-L152 HydrophobicContact CG2-CD2 4.05Å; V117-L152 HydrophobicContact CG2-CG 4.49Å; F134-L152 HydrophobicContact CD1-CD2 4.45Å; F134-L152 HydrophobicContact CE1-CD2 3.61Å; F134-L152 HydrophobicContact CE2-CD2 4.19Å; F134-L152 HydrophobicContact CZ-CD2 3.47Å; F134-L152 VanDerWaalsContact CZ-CD2 3.47Å; V150-L152 HydrophobicContact CB-CD2 4.24Å; V150-L152 HydrophobicContact CG2-CD2 3.88Å; V150-L152 HydrophobicContact CG2-CG 4.41Å; L152-I155 HydrophobicContact CD1-CD1 4.31Å; L152-V200 HydrophobicContact CD1-CG1 4.02Å; L152-V200 HydrophobicContact CG-CG1 4.3Å; L152-V201 PolarHBondContact N-O 3.06Å; L152-L202 HydrophobicContact CB-CD2 4Å; L152-L202 HydrophobicContact CD1-CD2 3.88Å; L152-L202 HydrophobicContact CG-CD2 4.22Å; L152-T203 WeakPolarHBondContact O-CB 3.27Å; L152-T203 PolarHBondContact O-N 3.22Å; L152-T203 PolarHBondContact O-OG1 3.4Å
153	G	97.8	Very high	92	Very high	7 Å²	7	16.4 Å²	16.4	7%	0.072	12%	0.115	C	C	.	.			trans	-54.8	174.4	164.4	0	0	0	0	0	111.5	V115 I155	V115-G153 PolarHBondContact O-N 3.24Å; G153-I155 WeakPolarHBondContact O-CG2 3.44Å; G153-I155 PolarHBondContact O-N 3.21Å
154	P	97.9	Very high	92.8	Very high	11 Å²	11	16.5 Å²	16.5	7%	0.071	10%	0.1	C	C	.	.			trans	-59.4	132.1	179.1	-20.9	32.8	0	0	0	110.6	F118 F159 T203	F118-P154 WeakPolarHBondContact CE2-O 3.45Å; P154-F159 HydrophobicContact CB-CD1 4.42Å; P154-F159 HydrophobicContact CB-CD2 3.52Å; P154-F159 HydrophobicContact CB-CE1 4.44Å; P154-F159 HydrophobicContact CB-CE2 3.54Å; P154-F159 HydrophobicContact CB-CG 3.96Å; P154-F159 HydrophobicContact CB-CZ 4.02Å; P154-F159 HydrophobicContact CG-CD2 4.14Å; P154-F159 HydrophobicContact CG-CE2 3.62Å; P154-F159 HydrophobicContact CG-CZ 3.98Å; P154-F159 VanDerWaalsContact O-CD1 3.31Å; P154-F159 WeakPolarHBondContact O-CD1 3.48Å; P154-T203 HydrophobicContact CG-CG2 4.09Å
155	I	98.5	Very high	93.9	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	12%	0.118	C	C	.	.			trans	-129.7	8.2	-177.5	57.2	170.7	0	0	0	112.3	V117 F118 L131 L152 G153 L176 D177 V180 F186 L202	V117-I155 HydrophobicContact CB-CG2 4.21Å; V117-I155 HydrophobicContact CG2-CG2 4.03Å; F118-I155 HydrophobicContact CE2-CG2 4.36Å; L131-I155 HydrophobicContact CD2-CD1 4.33Å; L152-I155 HydrophobicContact CD1-CD1 4.31Å; G153-I155 WeakPolarHBondContact O-CG2 3.44Å; G153-I155 PolarHBondContact O-N 3.21Å; I155-L176 HydrophobicContact CB-CD2 4.33Å; I155-L176 HydrophobicContact CD1-CD2 3.65Å; I155-L176 HydrophobicContact CG1-CD2 3.79Å; I155-L176 WeakPolarHBondContact O-CD2 3.19Å; I155-D177 PolarHBondContact O-N 3Å; I155-V180 HydrophobicContact CB-CG1 4.21Å; I155-V180 HydrophobicContact CB-CG2 4.13Å; I155-V180 HydrophobicContact CG2-CG2 3.86Å; I155-F186 HydrophobicContact CD1-CD2 4.23Å; I155-F186 HydrophobicContact CD1-CE2 4.21Å; I155-L202 HydrophobicContact CD1-CD2 3.84Å; I155-L202 HydrophobicContact CG1-CD2 4.39Å
156	T	98.5	Very high	95	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	160.2	-178.2	51.8	0	0	0	0	111.4	G158 F159 Y173 E175 F204 W279	T156-G158 PolarHBondContact O-N 2.74Å; T156-F159 VanDerWaalsContact O-CB 3.27Å; T156-F159 WeakPolarHBondContact O-CB 3.4Å; T156-F159 PolarHBondContact O-N 2.82Å; T156-F159 VanDerWaalsContact O-N 3.16Å; T156-Y173 WeakPolarHBondContact CG2-O 3.3Å; T156-E175 CarbonylContact C-O 3.52Å; T156-E175 VanDerWaalsContact CA-O 3.3Å; T156-E175 WeakPolarHBondContact CA-O 3.05Å; T156-F204 HydrophobicContact CG2-CD1 4.38Å; T156-F204 HydrophobicContact CG2-CE1 3.81Å; T156-W279 HydrophobicContact CG2-CZ2 4.27Å
157	K	98.5	Very high	95.8	Very high	47 Å²	47	19.5 Å²	19.5	20%	0.204	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.8	-175.2	-175.8	169.1	-179.9	152.8	0	113.1	F159 V170 E171 D172 E175 E178	K157-F159 VanDerWaalsContact C-N 3.32Å; K157-V170 WeakPolarHBondContact O-CA 3.27Å; K157-E171 HydrophobicContact CG-CB 4.32Å; K157-E171 PolarHBondContact O-N 3.2Å; K157-D172 HydrophobicContact CB-CB 4.06Å; K157-D172 HydrophobicContact CD-CB 4.11Å; K157-D172 PolarHBondContact N-O 2.82Å; K157-E175 HydrophobicContact CB-CB 4Å; K157-E175 HydrophobicContact CD-CB 3.98Å; K157-E175 WeakPolarHBondContact CD-OE2 3.2Å; K157-E175 PolarHBondContact N-O 3.31Å; K157-E175 IonicContact NZ-OE2 3.38Å; K157-E175 PolarHBondContact NZ-OE2 2.03Å; K157-E178 VanDerWaalsContact CE-OE1 3.27Å; K157-E178 WeakPolarHBondContact CE-OE1 3.15Å; K157-E178 IonicContact NZ-OE1 3.77Å; K157-E178 PolarHBondContact NZ-OE1 3.28Å
158	G	97.8	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-13.4	-179.4	0	0	0	0	0	114.4	T156 Y160 S161 N162 L169	T156-G158 PolarHBondContact O-N 2.74Å; G158-Y160 PolarHBondContact O-N 3.35Å; G158-S161 WeakPolarHBondContact CA-O 3.24Å; G158-N162 WeakPolarHBondContact O-CB 3.36Å; G158-N162 PolarHBondContact O-ND2 3.34Å; G158-L169 CarbonylContact C-O 3.5Å
159	F	97.7	Very high	96.7	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.026	11%	0.111	C	C	.	.	S	Bend	trans	-60.8	-46.6	-175.8	-175.4	-99	0	0	0	113.2	F118 P154 T156 K157 I167 G168 L169 D177 Y467	F118-F159 HydrophobicContact CD2-CD1 4.11Å; F118-F159 HydrophobicContact CD2-CE1 4.25Å; F118-F159 AromaticContact CE2-CD1 3.53Å; F118-F159 HydrophobicContact CE2-CD1 3.53Å; F118-F159 HydrophobicContact CE2-CE1 4.07Å; F118-F159 HydrophobicContact CZ-CD1 4.28Å; P154-F159 HydrophobicContact CB-CD1 4.42Å; P154-F159 HydrophobicContact CB-CD2 3.52Å; P154-F159 HydrophobicContact CB-CE1 4.44Å; P154-F159 HydrophobicContact CB-CE2 3.54Å; P154-F159 HydrophobicContact CB-CG 3.96Å; P154-F159 HydrophobicContact CB-CZ 4.02Å; P154-F159 HydrophobicContact CG-CD2 4.14Å; P154-F159 HydrophobicContact CG-CE2 3.62Å; P154-F159 HydrophobicContact CG-CZ 3.98Å; P154-F159 VanDerWaalsContact O-CD1 3.31Å; P154-F159 WeakPolarHBondContact O-CD1 3.48Å; T156-F159 VanDerWaalsContact O-CB 3.27Å; T156-F159 WeakPolarHBondContact O-CB 3.4Å; T156-F159 PolarHBondContact O-N 2.82Å; T156-F159 VanDerWaalsContact O-N 3.16Å; K157-F159 VanDerWaalsContact C-N 3.32Å; F159-I167 HydrophobicContact CD1-CG2 4.22Å; F159-I167 HydrophobicContact CE1-CG2 3.65Å; F159-I167 HydrophobicContact CE2-CG2 4.33Å; F159-I167 HydrophobicContact CZ-CG2 3.73Å; F159-I167 CarbonylContact O-C 3.23Å; F159-I167 WeakPolarHBondContact O-CA 3.18Å; F159-G168 PolarHBondContact O-N 2.94Å; F159-L169 WeakPolarHBondContact CA-O 3.17Å; F159-L169 PolarHBondContact N-O 3.1Å; F159-L169 VanDerWaalsContact N-O 3.12Å; F159-D177 PolarHBondContact N-OD2 2.92Å; F159-Y467 HydrophobicContact CE2-CE2 4.03Å; F159-Y467 HydrophobicContact CZ-CE2 4.06Å
160	Y	97.4	Very high	96.7	Very high	7 Å²	7	20 Å²	20	3%	0.027	11%	0.113	C	C	.	.	S	Bend	trans	-108.9	-44.2	174.6	-179.3	-99.7	0	0	0	111.4	F118 V128 G158 N162 I167 D177 A179 Y461 Q463 K465	F118-Y160 HydrophobicContact CD1-CG 4.2Å; F118-Y160 HydrophobicContact CE1-CG 4.34Å; V128-Y160 HydrophobicContact CB-CE1 4.4Å; V128-Y160 HydrophobicContact CG1-CD1 4.2Å; V128-Y160 HydrophobicContact CG1-CE1 3.87Å; V128-Y160 HydrophobicContact CG2-CE1 3.7Å; V128-Y160 WeakPolarHBondContact CG2-OH 3.19Å; G158-Y160 PolarHBondContact O-N 3.35Å; Y160-N162 PolarHBondContact O-N 3.48Å; Y160-I167 HydrophobicContact CD2-CD1 4.35Å; Y160-I167 HydrophobicContact CD2-CG1 4.1Å; Y160-D177 PolarHBondContact N-OD2 2.92Å; Y160-A179 HydrophobicContact CD1-CB 3.73Å; Y160-A179 HydrophobicContact CE1-CB 4.26Å; Y160-Y461 AromaticContact CD2-CE2 3.89Å; Y160-Y461 HydrophobicContact CD2-CE2 3.89Å; Y160-Y461 AromaticContact CE2-CD2 3.98Å; Y160-Y461 HydrophobicContact CE2-CD2 3.98Å; Y160-Y461 AromaticContact CE2-CE2 3.6Å; Y160-Y461 HydrophobicContact CE2-CE2 3.6Å; Y160-Q463 PolarHBondContact OH-OE1 3.03Å; Y160-K465 HydrophobicContact CD2-CD 4.18Å; Y160-K465 VanDerWaalsContact CE1-NZ 3.31Å; Y160-K465 HydrophobicContact CE2-CD 3.74Å; Y160-K465 PolarHBondContact O-NZ 3.06Å
161	S	97.2	Very high	96.7	Very high	33 Å²	33	21.6 Å²	21.6	23%	0.231	12%	0.121	C	C	.	.	S	Bend	trans	-96.5	92.6	-174.7	-54.5	0	0	0	0	110	G158 D177 A179	G158-S161 WeakPolarHBondContact CA-O 3.24Å; S161-D177 WeakPolarHBondContact CB-OD1 3.02Å; S161-D177 PolarHBondContact N-OD1 3.43Å; S161-D177 PolarHBondContact N-OD2 2.87Å; S161-D177 PolarHBondContact OG-OD1 2.82Å; S161-A179 WeakPolarHBondContact OG-CB 3.36Å
162	N	96.7	Very high	96.7	Very high	20 Å²	20	21.9 Å²	21.9	11%	0.107	12%	0.122	C	C	.	.			trans	-141.5	158.3	177.6	60.7	71.5	0	0	0	110.6	G158 Y160 H164 N165 M166 L169	G158-N162 WeakPolarHBondContact O-CB 3.36Å; G158-N162 PolarHBondContact O-ND2 3.34Å; Y160-N162 PolarHBondContact O-N 3.48Å; N162-H164 PolarHBondContact O-N 2.65Å; N162-H164 VanDerWaalsContact O-N 3.14Å; N162-H164 WeakPolarHBondContact OD1-CA 3.13Å; N162-H164 WeakPolarHBondContact OD1-CB 3.48Å; N162-H164 PolarHBondContact OD1-N 3.33Å; N162-H164 VanDerWaalsContact OD1-N 3.11Å; N162-N165 PolarHBondContact O-N 3.36Å; N162-N165 PolarHBondContact OD1-N 2.8Å; N162-N165 VanDerWaalsContact OD1-N 3.13Å; N162-M166 PolarHBondContact ND2-O 3.23Å; N162-M166 PolarHBondContact OD1-N 3.28Å; N162-L169 HydrophobicContact CB-CD1 4.36Å
163	P	95.7	Very high	96.7	Very high	100 Å²	100	21.9 Å²	21.9	65%	0.649	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.7	-178	28.1	-35.2	0	0	0	113.7	E171	P163-E171 WeakPolarHBondContact CD-OE1 3.32Å
164	H	94.4	Very high	96.7	Very high	61 Å²	61	24 Å²	24	28%	0.282	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.6	-177.9	-57.5	-76.9	0	0	0	113.8	N162 M166 L169 D212 P257	N162-H164 PolarHBondContact O-N 2.65Å; N162-H164 VanDerWaalsContact O-N 3.14Å; N162-H164 WeakPolarHBondContact OD1-CA 3.13Å; N162-H164 WeakPolarHBondContact OD1-CB 3.48Å; N162-H164 PolarHBondContact OD1-N 3.33Å; N162-H164 VanDerWaalsContact OD1-N 3.11Å; H164-M166 VanDerWaalsContact C-N 3.28Å; H164-M166 HydrophobicContact CB-CE 3.78Å; H164-M166 HydrophobicContact CB-CG 4.16Å; H164-M166 PolarHBondContact O-N 2.74Å; H164-L169 HydrophobicContact CB-CD1 3.87Å; H164-D212 IonicContact CD2-OD2 3.56Å; H164-D212 IonicContact CE1-OD2 2.89Å; H164-D212 IonicContact NE2-OD2 3.72Å; H164-D212 PolarHBondContact NE2-OD2 3.35Å; H164-P257 HydrophobicContact CB-CG 4.04Å
165	N	92.4	Very high	96.7	Very high	99 Å²	99	27.9 Å²	27.9	53%	0.529	15%	0.148	S	C	.	.			trans	52.4	42.1	177.4	-165.7	41	0	0	0	113.6	N162 K465	N162-N165 PolarHBondContact O-N 3.36Å; N162-N165 PolarHBondContact OD1-N 2.8Å; N162-N165 VanDerWaalsContact OD1-N 3.13Å; N165-K465 WeakPolarHBondContact OD1-CE 3.27Å
166	M	93.4	Very high	96.7	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.025	15%	0.151	C	C	.	.			trans	-133.1	170.8	176.4	66.2	178.7	77.3	0	0	111.1	N162 H164 L169 P257 N469	N162-M166 PolarHBondContact ND2-O 3.23Å; N162-M166 PolarHBondContact OD1-N 3.28Å; H164-M166 VanDerWaalsContact C-N 3.28Å; H164-M166 HydrophobicContact CB-CE 3.78Å; H164-M166 HydrophobicContact CB-CG 4.16Å; H164-M166 PolarHBondContact O-N 2.74Å; M166-L169 HydrophobicContact CG-CD1 3.82Å; M166-L169 HydrophobicContact CG-CG 3.98Å; M166-L169 HydrophobicContact SD-CD1 4.06Å; M166-L169 HydrophobicContact SD-CD2 4.28Å; M166-L169 HydrophobicContact SD-CG 4.16Å; M166-P257 VanDerWaalsContact CE-CD 3.45Å; M166-P257 HydrophobicContact CE-CG 3.95Å; M166-P257 HydrophobicContact SD-CG 4.2Å; M166-N469 WeakPolarHBondContact CB-OD1 3.43Å; M166-N469 HydrophobicContact CE-CB 4.41Å; M166-N469 WeakPolarHBondContact CE-ND2 3.34Å
167	I	94.6	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-105.5	147	176.5	-61.2	166.8	0	0	0	109.2	F159 Y160 P462 K465 S466 Y467 H468 I478	F159-I167 HydrophobicContact CD1-CG2 4.22Å; F159-I167 HydrophobicContact CE1-CG2 3.65Å; F159-I167 HydrophobicContact CE2-CG2 4.33Å; F159-I167 HydrophobicContact CZ-CG2 3.73Å; F159-I167 CarbonylContact O-C 3.23Å; F159-I167 WeakPolarHBondContact O-CA 3.18Å; Y160-I167 HydrophobicContact CD2-CD1 4.35Å; Y160-I167 HydrophobicContact CD2-CG1 4.1Å; I167-P462 HydrophobicContact CD1-CB 3.62Å; I167-K465 HydrophobicContact CD1-CB 3.99Å; I167-K465 HydrophobicContact CG1-CB 3.9Å; I167-K465 HydrophobicContact CG1-CD 4.32Å; I167-S466 PolarHBondContact N-O 2.97Å; I167-Y467 HydrophobicContact CB-CD2 4.17Å; I167-Y467 HydrophobicContact CG2-CD2 3.74Å; I167-Y467 HydrophobicContact CG2-CE2 4.19Å; I167-Y467 CarbonylContact O-C 3.3Å; I167-Y467 WeakPolarHBondContact O-CA 3.47Å; I167-H468 PolarHBondContact O-N 2.63Å; I167-I478 HydrophobicContact CD1-CD1 4Å
168	G	94	Very high	96.7	Very high	5 Å²	5	31.4 Å²	31.4	5%	0.052	17%	0.165	C	C	.	.	S	Bend	trans	105.2	-3.1	171.4	0	0	0	0	0	115.3	F159 H468	F159-G168 PolarHBondContact O-N 2.94Å; G168-H468 PolarHBondContact O-CE1 2.87Å; G168-H468 PolarHBondContact O-NE2 3.43Å
169	L	95.8	Very high	96.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.			trans	-76.6	158.9	172.1	-62.5	-176.9	0	0	0	110.8	G158 F159 N162 H164 M166 P257 S258	G158-L169 CarbonylContact C-O 3.5Å; F159-L169 WeakPolarHBondContact CA-O 3.17Å; F159-L169 PolarHBondContact N-O 3.1Å; F159-L169 VanDerWaalsContact N-O 3.12Å; N162-L169 HydrophobicContact CB-CD1 4.36Å; H164-L169 HydrophobicContact CB-CD1 3.87Å; M166-L169 HydrophobicContact CG-CD1 3.82Å; M166-L169 HydrophobicContact CG-CG 3.98Å; M166-L169 HydrophobicContact SD-CD1 4.06Å; M166-L169 HydrophobicContact SD-CD2 4.28Å; M166-L169 HydrophobicContact SD-CG 4.16Å; L169-P257 HydrophobicContact CD1-CG 3.7Å; L169-P257 HydrophobicContact CD2-CG 4.12Å; L169-S258 WeakPolarHBondContact CD2-OG 3.38Å
170	V	97.5	Very high	96.7	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.042	17%	0.168	C	C	.	.			trans	-133.2	133.6	168.5	-176.1	0	0	0	0	107.7	K157 Y173 S210 H213	K157-V170 WeakPolarHBondContact O-CA 3.27Å; V170-Y173 HydrophobicContact CB-CE1 4.18Å; V170-Y173 HydrophobicContact CG1-CD1 3.75Å; V170-Y173 HydrophobicContact CG1-CD2 4.2Å; V170-Y173 HydrophobicContact CG1-CE1 3.71Å; V170-Y173 HydrophobicContact CG1-CE2 4.15Å; V170-Y173 HydrophobicContact CG1-CG 4Å; V170-Y173 HydrophobicContact CG2-CE1 4.02Å; V170-S210 WeakPolarHBondContact O-CB 3.46Å; V170-S210 PolarHBondContact O-N 2.94Å; V170-H213 PolarHBondContact O-CD2 2.93Å; V170-H213 VanDerWaalsContact O-CD2 3.25Å
171	E	97.8	Very high	96.8	Very high	35 Å²	35	32.3 Å²	32.3	16%	0.164	18%	0.177	C	C	.	.	S	Bend	trans	-110.2	-28.3	176.9	-67.3	-174.2	171	0	0	112.7	K157 P163 H213 K214	K157-E171 HydrophobicContact CG-CB 4.32Å; K157-E171 PolarHBondContact O-N 3.2Å; P163-E171 WeakPolarHBondContact CD-OE1 3.32Å; E171-H213 WeakPolarHBondContact O-CA 3.42Å; E171-H213 PolarHBondContact O-CD2 2.88Å; E171-H213 PolarHBondContact O-NE2 3.15Å; E171-K214 PolarHBondContact O-N 2.73Å; E171-K214 VanDerWaalsContact O-N 3.07Å
172	D	98	Very high	96.8	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	122.3	172.5	-169.5	-13.4	0	0	0	111.1	K157 E174 E175 K214	K157-D172 HydrophobicContact CB-CB 4.06Å; K157-D172 HydrophobicContact CD-CB 4.11Å; K157-D172 PolarHBondContact N-O 2.82Å; D172-E174 PolarHBondContact OD1-N 3.14Å; D172-E175 HydrophobicContact CB-CB 4.18Å; D172-K214 HydrophobicContact CB-CD 4.33Å; D172-K214 WeakPolarHBondContact OD1-CE 3.39Å; D172-K214 IonicContact OD1-NZ 2.99Å; D172-K214 PolarHBondContact OD1-NZ 2.79Å; D172-K214 VanDerWaalsContact OD2-CD 3.24Å; D172-K214 WeakPolarHBondContact OD2-CD 3.41Å; D172-K214 VanDerWaalsContact OD2-CE 3.26Å; D172-K214 WeakPolarHBondContact OD2-CE 3.3Å; D172-K214 IonicContact OD2-NZ 3.79Å; D172-K214 PolarHBondContact OD2-NZ 3.23Å
173	Y	98.4	Very high	96.9	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-16.4	176.6	-69.9	-74.6	0	0	0	115	T156 V170 F204 D205 F206 S208 V209 H213 W215 V275 W279	T156-Y173 WeakPolarHBondContact CG2-O 3.3Å; V170-Y173 HydrophobicContact CB-CE1 4.18Å; V170-Y173 HydrophobicContact CG1-CD1 3.75Å; V170-Y173 HydrophobicContact CG1-CD2 4.2Å; V170-Y173 HydrophobicContact CG1-CE1 3.71Å; V170-Y173 HydrophobicContact CG1-CE2 4.15Å; V170-Y173 HydrophobicContact CG1-CG 4Å; V170-Y173 HydrophobicContact CG2-CE1 4.02Å; Y173-F204 AromaticContact CD1-CD1 3.95Å; Y173-F204 HydrophobicContact CD1-CD1 3.95Å; Y173-F204 HydrophobicContact CE1-CD1 4.48Å; Y173-D205 WeakPolarHBondContact CE1-O 3.37Å; Y173-D205 PolarHBondContact OH-O 3.12Å; Y173-F206 HydrophobicContact CD1-CD1 4.45Å; Y173-F206 AromaticContact CD1-CE1 3.99Å; Y173-F206 HydrophobicContact CD1-CE1 3.99Å; Y173-F206 AromaticContact CE1-CD1 3.92Å; Y173-F206 HydrophobicContact CE1-CD1 3.92Å; Y173-F206 AromaticContact CE1-CE1 3.91Å; Y173-F206 HydrophobicContact CE1-CE1 3.91Å; Y173-F206 HydrophobicContact CE2-CD1 4.27Å; Y173-F206 HydrophobicContact CE2-CE1 4.49Å; Y173-F206 HydrophobicContact CG-CE1 4.31Å; Y173-F206 AromaticContact CZ-CD1 3.82Å; Y173-S208 PolarHBondContact OH-O 2.83Å; Y173-V209 HydrophobicContact CE2-CG1 3.6Å; Y173-V209 WeakPolarHBondContact OH-CG1 3.22Å; Y173-H213 AromaticContact CD2-NE2 3.41Å; Y173-H213 WeakPolarHBondContact CD2-NE2 2.95Å; Y173-H213 AromaticContact CE2-NE2 3.68Å; Y173-W215 HydrophobicContact CD2-CE3 4.34Å; Y173-W215 AromaticContact CD2-CH2 3.34Å; Y173-W215 HydrophobicContact CD2-CH2 3.34Å; Y173-W215 AromaticContact CD2-CZ2 3.86Å; Y173-W215 HydrophobicContact CD2-CZ2 3.86Å; Y173-W215 AromaticContact CD2-CZ3 3.61Å; Y173-W215 HydrophobicContact CD2-CZ3 3.61Å; Y173-W215 HydrophobicContact CE2-CE3 4.21Å; Y173-W215 AromaticContact CE2-CH2 3.65Å; Y173-W215 HydrophobicContact CE2-CH2 3.65Å; Y173-W215 AromaticContact CE2-CZ3 3.45Å; Y173-W215 HydrophobicContact CE2-CZ3 3.45Å; Y173-W215 VanDerWaalsContact CE2-CZ3 3.45Å; Y173-W215 HydrophobicContact CG-CH2 4.4Å; Y173-V275 HydrophobicContact CD2-CG2 4.46Å; Y173-V275 HydrophobicContact CG-CG1 4.36Å; Y173-V275 HydrophobicContact CG-CG2 4.29Å; Y173-W279 PolarHBondContact O-NE1 3.15Å
174	E	97.5	Very high	97	Very high	51 Å²	51	35.8 Å²	35.8	24%	0.238	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-7.8	-177.9	-61.3	174.1	121.1	0	0	112.4	D172 K214 V275 Y278	D172-E174 PolarHBondContact OD1-N 3.14Å; E174-K214 IonicContact OE2-NZ 3.41Å; E174-K214 PolarHBondContact OE2-NZ 3.17Å; E174-V275 HydrophobicContact CG-CG2 4.18Å; E174-Y278 HydrophobicContact CB-CD1 4.31Å; E174-Y278 HydrophobicContact CB-CE1 4.22Å; E174-Y278 HydrophobicContact CG-CD1 4.33Å; E174-Y278 HydrophobicContact CG-CG 4.36Å; E174-Y278 WeakPolarHBondContact O-CE1 3.36Å; E174-Y278 PolarHBondContact O-OH 3.07Å; E174-Y278 VanDerWaalsContact O-OH 3.1Å
175	E	98.3	Very high	97.2	Very high	92 Å²	92	34.6 Å²	34.6	43%	0.43	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	151	172.7	-67.7	-175.1	-177.4	0	0	110.8	T156 K157 D172	T156-E175 CarbonylContact C-O 3.52Å; T156-E175 VanDerWaalsContact CA-O 3.3Å; T156-E175 WeakPolarHBondContact CA-O 3.05Å; K157-E175 HydrophobicContact CB-CB 4Å; K157-E175 HydrophobicContact CD-CB 3.98Å; K157-E175 WeakPolarHBondContact CD-OE2 3.2Å; K157-E175 PolarHBondContact N-O 3.31Å; K157-E175 IonicContact NZ-OE2 3.38Å; K157-E175 PolarHBondContact NZ-OE2 2.03Å; D172-E175 HydrophobicContact CB-CB 4.18Å
176	L	98.7	Very high	97.6	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.089	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	150.8	173.1	-71	172	0	0	0	110.4	L131 I155 E178 V180 T182 I183 F186 W279	L131-L176 HydrophobicContact CD1-CD1 4.04Å; I155-L176 HydrophobicContact CB-CD2 4.33Å; I155-L176 HydrophobicContact CD1-CD2 3.65Å; I155-L176 HydrophobicContact CG1-CD2 3.79Å; I155-L176 WeakPolarHBondContact O-CD2 3.19Å; L176-E178 PolarHBondContact O-N 3.3Å; L176-V180 HydrophobicContact CB-CG1 3.93Å; L176-V180 HydrophobicContact CD2-CG1 4.17Å; L176-V180 HydrophobicContact CG-CG1 4.46Å; L176-T182 WeakPolarHBondContact CD1-O 3.44Å; L176-I183 HydrophobicContact CD1-CD1 4.49Å; L176-F186 HydrophobicContact CD1-CB 3.73Å; L176-F186 HydrophobicContact CD1-CG 4.43Å; L176-W279 HydrophobicContact CD2-CH2 3.62Å; L176-W279 HydrophobicContact CD2-CZ2 4.32Å; L176-W279 HydrophobicContact CG-CH2 4.08Å
177	D	98.6	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.			trans	-60.3	133.8	169.8	-165.6	-73.8	0	0	0	110.5	F118 I155 F159 Y160 S161 A179 V180 G181	F118-D177 HydrophobicContact CE1-CB 4.22Å; F118-D177 HydrophobicContact CZ-CB 3.87Å; I155-D177 PolarHBondContact O-N 3Å; F159-D177 PolarHBondContact N-OD2 2.92Å; Y160-D177 PolarHBondContact N-OD2 2.92Å; S161-D177 WeakPolarHBondContact CB-OD1 3.02Å; S161-D177 PolarHBondContact N-OD1 3.43Å; S161-D177 PolarHBondContact N-OD2 2.87Å; S161-D177 PolarHBondContact OG-OD1 2.82Å; D177-A179 PolarHBondContact O-N 3.01Å; D177-A179 VanDerWaalsContact O-N 3.14Å; D177-A179 WeakPolarHBondContact OD1-CB 3.07Å; D177-A179 PolarHBondContact OD1-N 2.77Å; D177-V180 HydrophobicContact CB-CB 4.38Å; D177-V180 HydrophobicContact CB-CG1 4.4Å; D177-V180 VanDerWaalsContact O-CG1 3.29Å; D177-V180 WeakPolarHBondContact O-CG1 3.14Å; D177-V180 PolarHBondContact O-N 3.05Å; D177-G181 PolarHBondContact O-N 3.18Å
178	E	97.9	Very high	98	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.514	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.2	-175.3	-65.1	82.8	175.7	0	0	112.4	K157 L176 V180	K157-E178 VanDerWaalsContact CE-OE1 3.27Å; K157-E178 WeakPolarHBondContact CE-OE1 3.15Å; K157-E178 IonicContact NZ-OE1 3.77Å; K157-E178 PolarHBondContact NZ-OE1 3.28Å; L176-E178 PolarHBondContact O-N 3.3Å; E178-V180 VanDerWaalsContact C-N 3.33Å
179	A	98.1	Very high	98.2	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.9	176.9	0	0	0	0	0	113	F118 V128 Y160 S161 D177	F118-A179 HydrophobicContact CD1-CB 4.49Å; F118-A179 HydrophobicContact CE1-CB 4.18Å; V128-A179 HydrophobicContact CG1-CB 4.3Å; Y160-A179 HydrophobicContact CD1-CB 3.73Å; Y160-A179 HydrophobicContact CE1-CB 4.26Å; S161-A179 WeakPolarHBondContact OG-CB 3.36Å; D177-A179 PolarHBondContact O-N 3.01Å; D177-A179 VanDerWaalsContact O-N 3.14Å; D177-A179 WeakPolarHBondContact OD1-CB 3.07Å; D177-A179 PolarHBondContact OD1-N 2.77Å
180	V	98.6	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.5	-179.3	95.3	0	0	0	0	112.2	V117 F118 L131 I155 L176 D177 E178	V117-V180 HydrophobicContact CB-CG2 4.14Å; V117-V180 HydrophobicContact CG1-CG2 3.65Å; F118-V180 HydrophobicContact CD1-CG2 4.38Å; F118-V180 HydrophobicContact CE1-CB 3.64Å; F118-V180 HydrophobicContact CE1-CG2 3.84Å; F118-V180 HydrophobicContact CE2-CG2 4.49Å; F118-V180 HydrophobicContact CZ-CB 3.83Å; F118-V180 HydrophobicContact CZ-CG2 3.9Å; L131-V180 HydrophobicContact CD1-CG1 4.22Å; L131-V180 HydrophobicContact CD2-CG2 4.21Å; L131-V180 HydrophobicContact CG-CG1 4.31Å; L131-V180 HydrophobicContact CG-CG2 4.06Å; L131-V180 VanDerWaalsContact CG-O 3.3Å; L131-V180 WeakPolarHBondContact CG-O 3.37Å; L131-V180 PolarHBondContact N-O 2.78Å; I155-V180 HydrophobicContact CB-CG1 4.21Å; I155-V180 HydrophobicContact CB-CG2 4.13Å; I155-V180 HydrophobicContact CG2-CG2 3.86Å; L176-V180 HydrophobicContact CB-CG1 3.93Å; L176-V180 HydrophobicContact CD2-CG1 4.17Å; L176-V180 HydrophobicContact CG-CG1 4.46Å; D177-V180 HydrophobicContact CB-CB 4.38Å; D177-V180 HydrophobicContact CB-CG1 4.4Å; D177-V180 VanDerWaalsContact O-CG1 3.29Å; D177-V180 WeakPolarHBondContact O-CG1 3.14Å; D177-V180 PolarHBondContact O-N 3.05Å; E178-V180 VanDerWaalsContact C-N 3.33Å
181	G	98.4	Very high	98.4	Very high	21 Å²	21	44.6 Å²	44.6	22%	0.216	22%	0.218	C	C	.	.			trans	123.3	-167.6	179.5	0	0	0	0	0	113.9	D177	D177-G181 PolarHBondContact O-N 3.18Å
182	T	98.5	Very high	98.4	Very high	74 Å²	74	47.4 Å²	47.4	45%	0.454	23%	0.227	S	C	.	.			trans	-96.3	164.4	-174.5	72.6	0	0	0	0	112.6	L176 N184 D185 F186	L176-T182 WeakPolarHBondContact CD1-O 3.44Å; T182-N184 PolarHBondContact O-N 3.12Å; T182-N184 VanDerWaalsContact O-N 3.14Å; T182-N184 PolarHBondContact OG1-N 3.42Å; T182-D185 WeakPolarHBondContact CA-OD2 3.3Å; T182-D185 WeakPolarHBondContact CB-OD2 3.45Å; T182-D185 PolarHBondContact N-OD2 2.99Å; T182-D185 WeakPolarHBondContact O-CB 3.4Å; T182-D185 PolarHBondContact O-N 2.76Å; T182-D185 PolarHBondContact OG1-N 3Å; T182-D185 PolarHBondContact OG1-OD2 3.11Å; T182-F186 PolarHBondContact O-N 3.34Å
183	I	98.4	Very high	98.4	Very high	47 Å²	47	47 Å²	47	24%	0.241	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-26.5	172.6	-168	60	0	0	0	112.5	L176 F186 R187 W279 E282	L176-I183 HydrophobicContact CD1-CD1 4.49Å; I183-F186 HydrophobicContact CD1-CB 4.47Å; I183-F186 HydrophobicContact CD1-CD1 4.2Å; I183-F186 PolarHBondContact O-N 2.9Å; I183-R187 VanDerWaalsContact O-CG 3.31Å; I183-R187 WeakPolarHBondContact O-CG 3.38Å; I183-R187 PolarHBondContact O-N 3.24Å; I183-W279 HydrophobicContact CD1-CH2 4.45Å; I183-W279 HydrophobicContact CD1-CZ3 4.38Å; I183-E282 HydrophobicContact CD1-CG 4.49Å
184	N	98.7	Very high	98.3	Very high	105 Å²	105	49.7 Å²	49.7	56%	0.561	24%	0.237	S	C	*	.	H	α-helix	trans	-73.1	-37.7	175.4	-71.7	-28.4	0	0	0	111.9	T182 F186 R187 H188	T182-N184 PolarHBondContact O-N 3.12Å; T182-N184 VanDerWaalsContact O-N 3.14Å; T182-N184 PolarHBondContact OG1-N 3.42Å; N184-F186 VanDerWaalsContact C-N 3.3Å; N184-R187 PolarHBondContact O-N 2.89Å; N184-H188 WeakPolarHBondContact O-CB 3.27Å; N184-H188 PolarHBondContact O-N 2.92Å
185	D	98.8	Very high	98.3	Very high	36 Å²	36	53 Å²	53	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-42.5	171.9	-58.1	-60.1	0	0	0	110.1	L131 N132 T182 H188 L189	L131-D185 HydrophobicContact CB-CB 4.3Å; L131-D185 HydrophobicContact CD1-CB 4.28Å; N132-D185 PolarHBondContact ND2-OD1 2.8Å; N132-D185 PolarHBondContact OD1-OD1 2.84Å; T182-D185 WeakPolarHBondContact CA-OD2 3.3Å; T182-D185 WeakPolarHBondContact CB-OD2 3.45Å; T182-D185 PolarHBondContact N-OD2 2.99Å; T182-D185 WeakPolarHBondContact O-CB 3.4Å; T182-D185 PolarHBondContact O-N 2.76Å; T182-D185 PolarHBondContact OG1-N 3Å; T182-D185 PolarHBondContact OG1-OD2 3.11Å; D185-H188 WeakPolarHBondContact O-CB 3.21Å; D185-H188 PolarHBondContact O-N 3.06Å; D185-L189 WeakPolarHBondContact O-CB 3.4Å; D185-L189 PolarHBondContact O-N 3.01Å
186	F	98.8	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-46.2	175.7	-176.9	-103.8	0	0	0	113.3	L131 I155 L176 T182 I183 N184 H188 L189 L190 L202 W279 I284	L131-F186 HydrophobicContact CD1-CB 3.82Å; L131-F186 HydrophobicContact CD1-CD2 4.28Å; I155-F186 HydrophobicContact CD1-CD2 4.23Å; I155-F186 HydrophobicContact CD1-CE2 4.21Å; L176-F186 HydrophobicContact CD1-CB 3.73Å; L176-F186 HydrophobicContact CD1-CG 4.43Å; T182-F186 PolarHBondContact O-N 3.34Å; I183-F186 HydrophobicContact CD1-CB 4.47Å; I183-F186 HydrophobicContact CD1-CD1 4.2Å; I183-F186 PolarHBondContact O-N 2.9Å; N184-F186 VanDerWaalsContact C-N 3.3Å; F186-H188 VanDerWaalsContact C-N 3.26Å; F186-H188 PolarHBondContact O-N 3.08Å; F186-L189 WeakPolarHBondContact O-CB 3.3Å; F186-L189 PolarHBondContact O-N 3.4Å; F186-L190 HydrophobicContact CD1-CD1 3.96Å; F186-L190 HydrophobicContact CD1-CG 4.29Å; F186-L190 HydrophobicContact CE1-CD1 3.36Å; F186-L190 HydrophobicContact CE1-CD2 4.39Å; F186-L190 HydrophobicContact CE1-CG 3.79Å; F186-L190 HydrophobicContact CE2-CG 4.47Å; F186-L190 HydrophobicContact CZ-CD1 3.9Å; F186-L190 HydrophobicContact CZ-CD2 4.08Å; F186-L190 HydrophobicContact CZ-CG 3.9Å; F186-L190 PolarHBondContact O-N 2.84Å; F186-L202 HydrophobicContact CE2-CD1 4.39Å; F186-L202 HydrophobicContact CE2-CD2 4Å; F186-L202 HydrophobicContact CZ-CD1 3.96Å; F186-L202 HydrophobicContact CZ-CD2 4.23Å; F186-L202 HydrophobicContact CZ-CG 4.39Å; F186-W279 AromaticContact CD1-CZ3 3.73Å; F186-W279 HydrophobicContact CD1-CZ3 3.73Å; F186-W279 AromaticContact CE1-CE3 3.82Å; F186-W279 HydrophobicContact CE1-CE3 3.82Å; F186-W279 AromaticContact CE1-CZ3 3.44Å; F186-W279 HydrophobicContact CE1-CZ3 3.44Å; F186-W279 VanDerWaalsContact CE1-CZ3 3.44Å; F186-W279 HydrophobicContact CE2-CZ3 4.43Å; F186-W279 HydrophobicContact CG-CZ3 4.32Å; F186-W279 HydrophobicContact CZ-CE3 4.14Å; F186-W279 AromaticContact CZ-CZ3 3.83Å; F186-W279 HydrophobicContact CZ-CZ3 3.83Å; F186-I284 HydrophobicContact CE1-CG2 4.23Å; F186-I284 HydrophobicContact CZ-CG2 3.83Å
187	R	98.7	Very high	97.9	Very high	81 Å²	81	56.3 Å²	56.3	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-35.5	174.7	-73.8	170.5	-179	149.9	1	111.8	I183 N184 R191 E282	I183-R187 VanDerWaalsContact O-CG 3.31Å; I183-R187 WeakPolarHBondContact O-CG 3.38Å; I183-R187 PolarHBondContact O-N 3.24Å; N184-R187 PolarHBondContact O-N 2.89Å; R187-R191 VanDerWaalsContact O-CG 3.32Å; R187-R191 WeakPolarHBondContact O-CG 3.08Å; R187-R191 PolarHBondContact O-N 2.82Å; R187-E282 IonicContact CZ-OE1 2.76Å; R187-E282 IonicContact CZ-OE2 2.74Å; R187-E282 IonicContact NE-OE1 2.79Å; R187-E282 IonicContact NE-OE2 2.7Å; R187-E282 PolarHBondContact NE-OE2 2.88Å; R187-E282 IonicContact NH2-OE1 2.65Å; R187-E282 PolarHBondContact NH2-OE1 2.91Å; R187-E282 IonicContact NH2-OE2 2.77Å; R187-E282 PolarHBondContact NH2-OE2 2.88Å
188	H	98.6	Very high	97.8	Very high	84 Å²	84	56.3 Å²	56.3	39%	0.389	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-46	174.6	-171.8	59.6	0	0	0	111	L135 N184 D185 F186 L190 R191 R192	L135-H188 WeakPolarHBondContact CD2-CD2 3.3Å; N184-H188 WeakPolarHBondContact O-CB 3.27Å; N184-H188 PolarHBondContact O-N 2.92Å; D185-H188 WeakPolarHBondContact O-CB 3.21Å; D185-H188 PolarHBondContact O-N 3.06Å; F186-H188 VanDerWaalsContact C-N 3.26Å; F186-H188 PolarHBondContact O-N 3.08Å; H188-L190 PolarHBondContact O-N 2.94Å; H188-R191 PolarHBondContact O-N 3.43Å; H188-R192 VanDerWaalsContact O-CG 3.27Å; H188-R192 WeakPolarHBondContact O-CG 3.3Å; H188-R192 PolarHBondContact O-N 2.99Å
189	L	98.7	Very high	97.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.5	-51.8	173.8	-179.6	164	0	0	0	111.4	L131 F134 D185 F186 R191 R192 F193 V200	L131-L189 HydrophobicContact CB-CD1 4.17Å; L131-L189 HydrophobicContact CD2-CD1 3.69Å; L131-L189 HydrophobicContact CG-CD1 4.45Å; F134-L189 HydrophobicContact CD1-CD1 3.59Å; F134-L189 HydrophobicContact CD1-CG 4.42Å; F134-L189 HydrophobicContact CE1-CD1 4.04Å; D185-L189 WeakPolarHBondContact O-CB 3.4Å; D185-L189 PolarHBondContact O-N 3.01Å; F186-L189 WeakPolarHBondContact O-CB 3.3Å; F186-L189 PolarHBondContact O-N 3.4Å; L189-R191 PolarHBondContact O-N 3.18Å; L189-R192 PolarHBondContact O-N 3.3Å; L189-F193 HydrophobicContact CD2-CD1 4.49Å; L189-F193 HydrophobicContact CD2-CD2 3.84Å; L189-F193 HydrophobicContact CD2-CE2 4.09Å; L189-F193 HydrophobicContact CD2-CG 4.07Å; L189-F193 HydrophobicContact CG-CD2 3.9Å; L189-F193 HydrophobicContact CG-CE2 3.85Å; L189-F193 WeakPolarHBondContact O-CB 3.36Å; L189-F193 VanDerWaalsContact O-CD2 3.23Å; L189-F193 WeakPolarHBondContact O-CD2 2.97Å; L189-F193 PolarHBondContact O-N 2.52Å; L189-V200 HydrophobicContact CD2-CG1 4.42Å; L189-V200 HydrophobicContact CD2-CG2 4.01Å
190	L	98.6	Very high	97.8	Very high	7 Å²	7	53.3 Å²	53.3	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-50.2	179.2	-79.8	-179.8	0	0	0	111.9	F186 H188 R192 F193 H194 V200 E282	F186-L190 HydrophobicContact CD1-CD1 3.96Å; F186-L190 HydrophobicContact CD1-CG 4.29Å; F186-L190 HydrophobicContact CE1-CD1 3.36Å; F186-L190 HydrophobicContact CE1-CD2 4.39Å; F186-L190 HydrophobicContact CE1-CG 3.79Å; F186-L190 HydrophobicContact CE2-CG 4.47Å; F186-L190 HydrophobicContact CZ-CD1 3.9Å; F186-L190 HydrophobicContact CZ-CD2 4.08Å; F186-L190 HydrophobicContact CZ-CG 3.9Å; F186-L190 PolarHBondContact O-N 2.84Å; H188-L190 PolarHBondContact O-N 2.94Å; L190-R192 PolarHBondContact O-N 3.17Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-H194 WeakPolarHBondContact O-CB 3.45Å; L190-H194 PolarHBondContact O-N 3.06Å; L190-V200 HydrophobicContact CD2-CB 3.65Å; L190-V200 HydrophobicContact CD2-CG1 3.97Å; L190-V200 HydrophobicContact CD2-CG2 3.84Å; L190-E282 VanDerWaalsContact CD1-O 3.26Å; L190-E282 WeakPolarHBondContact CD1-O 3.3Å
191	R	98.4	Very high	97.8	Very high	155 Å²	155	53.3 Å²	53.3	59%	0.585	25%	0.253	S	S	*	.	H	α-helix	trans	-57.6	-49.8	178.7	-68.9	175	-150.2	172.7	6.2	111.4	R187 H188 L189 F193 H194 E195	R187-R191 VanDerWaalsContact O-CG 3.32Å; R187-R191 WeakPolarHBondContact O-CG 3.08Å; R187-R191 PolarHBondContact O-N 2.82Å; H188-R191 PolarHBondContact O-N 3.43Å; L189-R191 PolarHBondContact O-N 3.18Å; R191-F193 VanDerWaalsContact C-N 3.33Å; R191-F193 PolarHBondContact O-N 2.91Å; R191-H194 PolarHBondContact O-N 3.1Å; R191-E195 WeakPolarHBondContact O-CB 3.26Å; R191-E195 VanDerWaalsContact O-CG 3.24Å; R191-E195 WeakPolarHBondContact O-CG 3.22Å; R191-E195 PolarHBondContact O-N 3.37Å
192	R	98.1	Very high	97.8	Very high	94 Å²	94	52.4 Å²	52.4	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-67.4	-32.7	-176.8	-65.5	-62.4	-64.8	152.8	-6	113	L135 H188 L189 L190 E195	L135-R192 HydrophobicContact CD1-CB 3.49Å; L135-R192 VanDerWaalsContact CD1-CB 3.49Å; L135-R192 HydrophobicContact CD1-CG 4.06Å; L135-R192 HydrophobicContact CD2-CG 4.26Å; H188-R192 VanDerWaalsContact O-CG 3.27Å; H188-R192 WeakPolarHBondContact O-CG 3.3Å; H188-R192 PolarHBondContact O-N 2.99Å; L189-R192 PolarHBondContact O-N 3.3Å; L190-R192 PolarHBondContact O-N 3.17Å; R192-E195 WeakPolarHBondContact CD-OE2 3.25Å; R192-E195 IonicContact CZ-OE2 3.28Å; R192-E195 IonicContact NE-OE2 3.76Å; R192-E195 IonicContact NH1-OE2 2.77Å; R192-E195 PolarHBondContact NH1-OE2 3.13Å
193	F	97.7	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-47.4	173.9	-86.9	-121	0	0	0	110.7	F134 L135 V138 I141 V150 L189 L190 R191 E195 K196 D197 L198 V200	F134-F193 HydrophobicContact CD1-CE2 4.37Å; F134-F193 AromaticContact CD1-CZ 3.86Å; F134-F193 HydrophobicContact CD1-CZ 3.86Å; F134-F193 AromaticContact CE1-CE1 3.67Å; F134-F193 HydrophobicContact CE1-CE1 3.67Å; F134-F193 HydrophobicContact CE1-CE2 4.05Å; F134-F193 AromaticContact CE1-CZ 3.2Å; F134-F193 HydrophobicContact CE1-CZ 3.2Å; F134-F193 AromaticContact CZ-CE1 3.96Å; F134-F193 HydrophobicContact CZ-CE1 3.96Å; F134-F193 AromaticContact CZ-CZ 3.77Å; F134-F193 HydrophobicContact CZ-CZ 3.77Å; L135-F193 HydrophobicContact CD1-CD2 4.01Å; L135-F193 HydrophobicContact CD1-CE2 3.79Å; V138-F193 HydrophobicContact CB-CE2 4.07Å; V138-F193 HydrophobicContact CB-CZ 4.42Å; V138-F193 HydrophobicContact CG2-CD2 3.94Å; V138-F193 HydrophobicContact CG2-CE2 3.73Å; V138-F193 HydrophobicContact CG2-CG 4.46Å; V138-F193 HydrophobicContact CG2-CZ 4.05Å; I141-F193 HydrophobicContact CD1-CE1 4.42Å; I141-F193 HydrophobicContact CD1-CZ 4.01Å; V150-F193 HydrophobicContact CB-CE1 4.44Å; V150-F193 HydrophobicContact CG1-CE1 3.85Å; V150-F193 HydrophobicContact CG2-CD1 3.97Å; V150-F193 HydrophobicContact CG2-CE1 3.72Å; L189-F193 HydrophobicContact CD2-CD1 4.49Å; L189-F193 HydrophobicContact CD2-CD2 3.84Å; L189-F193 HydrophobicContact CD2-CE2 4.09Å; L189-F193 HydrophobicContact CD2-CG 4.07Å; L189-F193 HydrophobicContact CG-CD2 3.9Å; L189-F193 HydrophobicContact CG-CE2 3.85Å; L189-F193 WeakPolarHBondContact O-CB 3.36Å; L189-F193 VanDerWaalsContact O-CD2 3.23Å; L189-F193 WeakPolarHBondContact O-CD2 2.97Å; L189-F193 PolarHBondContact O-N 2.52Å; L190-F193 PolarHBondContact O-N 2.95Å; R191-F193 VanDerWaalsContact C-N 3.33Å; R191-F193 PolarHBondContact O-N 2.91Å; F193-E195 VanDerWaalsContact C-N 3.34Å; F193-E195 PolarHBondContact O-N 3.2Å; F193-K196 CarbonylContact O-C 3.13Å; F193-K196 WeakPolarHBondContact O-CA 3.34Å; F193-K196 PolarHBondContact O-N 3.25Å; F193-D197 PolarHBondContact O-N 3.44Å; F193-L198 CarbonylContact C-O 3.46Å; F193-L198 HydrophobicContact CB-CB 3.98Å; F193-L198 HydrophobicContact CD1-CB 3.74Å; F193-L198 HydrophobicContact CD1-CD1 3.74Å; F193-L198 HydrophobicContact CD1-CG 4.39Å; F193-L198 HydrophobicContact CE1-CD1 3.96Å; F193-L198 HydrophobicContact CG-CB 4.2Å; F193-L198 HydrophobicContact CG-CD1 4.24Å; F193-L198 WeakPolarHBondContact O-CB 3.48Å; F193-L198 PolarHBondContact O-N 3.18Å; F193-V200 HydrophobicContact CB-CG2 3.86Å; F193-V200 HydrophobicContact CD1-CG2 3.8Å; F193-V200 HydrophobicContact CG-CG2 4.03Å
194	H	97.2	Very high	97.8	Very high	58 Å²	58	46.9 Å²	46.9	27%	0.269	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-39.2	177.8	-68	168.8	0	0	0	112.6	L190 R191 K196 D197 L198 G283 D285	L190-H194 WeakPolarHBondContact O-CB 3.45Å; L190-H194 PolarHBondContact O-N 3.06Å; R191-H194 PolarHBondContact O-N 3.1Å; H194-K196 PolarHBondContact O-N 2.62Å; H194-D197 PolarHBondContact O-N 2.87Å; H194-L198 PolarHBondContact CD2-O 3.49Å; H194-G283 PolarHBondContact CE1-O 2.86Å; H194-D285 IonicContact CD2-OD2 3.75Å; H194-D285 IonicContact CE1-OD2 3.75Å; H194-D285 IonicContact NE2-OD1 3.68Å; H194-D285 IonicContact NE2-OD2 2.76Å; H194-D285 PolarHBondContact NE2-OD2 3.45Å
195	E	96.7	Very high	97.7	Very high	121 Å²	121	42.3 Å²	42.3	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	173.3	-77.2	169.1	-175.1	0	0	113.5	R191 R192 F193	R191-E195 WeakPolarHBondContact O-CB 3.26Å; R191-E195 VanDerWaalsContact O-CG 3.24Å; R191-E195 WeakPolarHBondContact O-CG 3.22Å; R191-E195 PolarHBondContact O-N 3.37Å; R192-E195 WeakPolarHBondContact CD-OE2 3.25Å; R192-E195 IonicContact CZ-OE2 3.28Å; R192-E195 IonicContact NE-OE2 3.76Å; R192-E195 IonicContact NH1-OE2 2.77Å; R192-E195 PolarHBondContact NH1-OE2 3.13Å; F193-E195 VanDerWaalsContact C-N 3.34Å; F193-E195 PolarHBondContact O-N 3.2Å
196	K	95	Very high	97.7	Very high	61 Å²	61	40.6 Å²	40.6	27%	0.265	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.6	176.9	-71.6	177.3	175	-76.2	0	113	V138 N139 K142 F193 H194 L198	V138-K196 HydrophobicContact CB-CD 4.43Å; V138-K196 HydrophobicContact CG1-CD 3.94Å; V138-K196 HydrophobicContact CG2-CD 3.61Å; N139-K196 WeakPolarHBondContact OD1-CE 3.38Å; N139-K196 PolarHBondContact OD1-NZ 3.28Å; K142-K196 VanDerWaalsContact CE-O 3.24Å; K142-K196 WeakPolarHBondContact CE-O 3.35Å; K142-K196 PolarHBondContact NZ-O 2.99Å; F193-K196 CarbonylContact O-C 3.13Å; F193-K196 WeakPolarHBondContact O-CA 3.34Å; F193-K196 PolarHBondContact O-N 3.25Å; H194-K196 PolarHBondContact O-N 2.62Å; K196-L198 PolarHBondContact O-N 2.62Å
197	D	93.8	Very high	97.5	Very high	117 Å²	117	40.7 Å²	40.7	63%	0.626	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.1	-174.9	-66.2	-55.5	0	0	0	112.7	K142 F193 H194	K142-D197 PolarHBondContact NZ-O 2.7Å; K142-D197 VanDerWaalsContact NZ-O 3.15Å; F193-D197 PolarHBondContact O-N 3.44Å; H194-D197 PolarHBondContact O-N 2.87Å
198	L	96.1	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.165	C	C	.	.			trans	-101.8	135.7	168.9	-69.7	172.4	0	0	0	109.3	V138 I141 K142 S147 G148 F193 H194 K196	V138-L198 HydrophobicContact CG2-CD1 3.69Å; I141-L198 HydrophobicContact CG2-CD1 4.33Å; K142-L198 HydrophobicContact CB-CD1 4.19Å; K142-L198 HydrophobicContact CB-CD2 4.46Å; K142-L198 HydrophobicContact CD-CD2 3.63Å; K142-L198 HydrophobicContact CD-CG 3.94Å; S147-L198 WeakPolarHBondContact O-CD2 3.19Å; G148-L198 WeakPolarHBondContact O-CA 3.01Å; F193-L198 CarbonylContact C-O 3.46Å; F193-L198 HydrophobicContact CB-CB 3.98Å; F193-L198 HydrophobicContact CD1-CB 3.74Å; F193-L198 HydrophobicContact CD1-CD1 3.74Å; F193-L198 HydrophobicContact CD1-CG 4.39Å; F193-L198 HydrophobicContact CE1-CD1 3.96Å; F193-L198 HydrophobicContact CG-CB 4.2Å; F193-L198 HydrophobicContact CG-CD1 4.24Å; F193-L198 WeakPolarHBondContact O-CB 3.48Å; F193-L198 PolarHBondContact O-N 3.18Å; H194-L198 PolarHBondContact CD2-O 3.49Å; K196-L198 PolarHBondContact O-N 2.62Å
199	K	97.4	Very high	97.3	Very high	58 Å²	58	33 Å²	33	25%	0.252	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148.8	173.3	-52.1	-56.3	171.7	-163.9	0	110.9	F106 G148 F149 V150 D285	F106-K199 HydrophobicContact CB-CG 4.18Å; F106-K199 HydrophobicContact CD1-CB 4.49Å; F106-K199 HydrophobicContact CD1-CG 3.92Å; F106-K199 HydrophobicContact CD2-CB 3.96Å; F106-K199 HydrophobicContact CD2-CG 3.84Å; F106-K199 HydrophobicContact CE1-CB 4.33Å; F106-K199 HydrophobicContact CE1-CG 4.21Å; F106-K199 HydrophobicContact CE2-CB 3.82Å; F106-K199 HydrophobicContact CE2-CG 4.17Å; F106-K199 HydrophobicContact CG-CB 4.3Å; F106-K199 HydrophobicContact CG-CG 3.71Å; F106-K199 HydrophobicContact CZ-CB 4.01Å; F106-K199 HydrophobicContact CZ-CG 4.33Å; G148-K199 PolarHBondContact O-N 3.08Å; F149-K199 CarbonylContact C-O 3.39Å; F149-K199 WeakPolarHBondContact CA-O 3.45Å; F149-K199 HydrophobicContact CB-CB 3.71Å; V150-K199 PolarHBondContact N-O 3.4Å; K199-D285 VanDerWaalsContact CA-OD2 3.24Å; K199-D285 WeakPolarHBondContact CA-OD2 3.42Å; K199-D285 HydrophobicContact CB-CB 3.67Å; K199-D285 HydrophobicContact CD-CB 4.26Å; K199-D285 HydrophobicContact CG-CB 4.34Å
200	V	98.5	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.6	-177.7	-178.6	0	0	0	0	109.7	V150 L152 L189 L190 F193 L202 D285	V150-V200 HydrophobicContact CG2-CB 4.37Å; V150-V200 HydrophobicContact CG2-CG1 4.33Å; V150-V200 HydrophobicContact CG2-CG2 4.04Å; L152-V200 HydrophobicContact CD1-CG1 4.02Å; L152-V200 HydrophobicContact CG-CG1 4.3Å; L189-V200 HydrophobicContact CD2-CG1 4.42Å; L189-V200 HydrophobicContact CD2-CG2 4.01Å; L190-V200 HydrophobicContact CD2-CB 3.65Å; L190-V200 HydrophobicContact CD2-CG1 3.97Å; L190-V200 HydrophobicContact CD2-CG2 3.84Å; F193-V200 HydrophobicContact CB-CG2 3.86Å; F193-V200 HydrophobicContact CD1-CG2 3.8Å; F193-V200 HydrophobicContact CG-CG2 4.03Å; V200-L202 HydrophobicContact CG1-CD2 4.48Å; V200-D285 PolarHBondContact N-OD2 2.84Å; V200-D285 PolarHBondContact O-N 3.31Å
201	V	98.8	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.4	178.2	178.9	0	0	0	0	107.8	F106 F149 V150 I151 L152 G286 L288 L345	F106-V201 HydrophobicContact CE2-CG2 4.38Å; F106-V201 HydrophobicContact CZ-CG2 4.32Å; F149-V201 HydrophobicContact CD2-CG2 4.18Å; V150-V201 WeakPolarHBondContact O-CB 3.33Å; V150-V201 PolarHBondContact O-N 2.97Å; I151-V201 WeakPolarHBondContact CA-O 3.48Å; I151-V201 HydrophobicContact CB-CB 4.5Å; I151-V201 HydrophobicContact CG1-CB 4.12Å; I151-V201 HydrophobicContact CG1-CG1 4.25Å; I151-V201 HydrophobicContact CG2-CG1 4.36Å; L152-V201 PolarHBondContact N-O 3.06Å; V201-G286 VanDerWaalsContact CA-O 3.26Å; V201-G286 WeakPolarHBondContact CA-O 3.26Å; V201-L288 HydrophobicContact CG1-CB 4.27Å; V201-L345 HydrophobicContact CG1-CD2 4.27Å; V201-L345 HydrophobicContact CG2-CD2 3.84Å
202	L	98.8	Very high	97.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.4	176.7	-66.7	-173	0	0	0	111.4	L152 I155 F186 V200 F204 W279 I284 G286 I287 L288	L152-L202 HydrophobicContact CB-CD2 4Å; L152-L202 HydrophobicContact CD1-CD2 3.88Å; L152-L202 HydrophobicContact CG-CD2 4.22Å; I155-L202 HydrophobicContact CD1-CD2 3.84Å; I155-L202 HydrophobicContact CG1-CD2 4.39Å; F186-L202 HydrophobicContact CE2-CD1 4.39Å; F186-L202 HydrophobicContact CE2-CD2 4Å; F186-L202 HydrophobicContact CZ-CD1 3.96Å; F186-L202 HydrophobicContact CZ-CD2 4.23Å; F186-L202 HydrophobicContact CZ-CG 4.39Å; V200-L202 HydrophobicContact CG1-CD2 4.48Å; L202-F204 HydrophobicContact CB-CD2 4.39Å; L202-F204 HydrophobicContact CB-CE2 3.62Å; L202-F204 HydrophobicContact CB-CZ 3.96Å; L202-F204 HydrophobicContact CD1-CE2 4.36Å; L202-F204 HydrophobicContact CD1-CZ 3.97Å; L202-W279 HydrophobicContact CD1-CD2 3.63Å; L202-W279 HydrophobicContact CD1-CE3 3.35Å; L202-W279 HydrophobicContact CD1-CG 4.19Å; L202-W279 HydrophobicContact CD1-CH2 4.37Å; L202-W279 HydrophobicContact CD1-CZ3 3.76Å; L202-I284 HydrophobicContact CD1-CG2 3.76Å; L202-I284 HydrophobicContact CG-CG2 3.93Å; L202-G286 PolarHBondContact N-O 3.14Å; L202-I287 CarbonylContact O-C 3.55Å; L202-I287 VanDerWaalsContact O-CA 3.32Å; L202-I287 WeakPolarHBondContact O-CA 3.43Å; L202-L288 PolarHBondContact O-N 3.31Å
203	T	98.8	Very high	97.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.9	174.9	-54.6	0	0	0	0	110.2	I151 L152 P154 L288 D290	I151-T203 WeakPolarHBondContact CG2-OG1 3.5Å; L152-T203 WeakPolarHBondContact O-CB 3.27Å; L152-T203 PolarHBondContact O-N 3.22Å; L152-T203 PolarHBondContact O-OG1 3.4Å; P154-T203 HydrophobicContact CG-CG2 4.09Å; T203-L288 CarbonylContact C-O 3.08Å; T203-L288 VanDerWaalsContact CA-O 3.26Å; T203-L288 WeakPolarHBondContact CA-O 3.4Å; T203-L288 HydrophobicContact CG2-CB 4.49Å; T203-L288 HydrophobicContact CG2-CD2 4.27Å; T203-L288 HydrophobicContact CG2-CG 4.44Å; T203-D290 HydrophobicContact CG2-CB 3.63Å
204	F	98.5	Very high	97	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.4	173.5	-64.3	-79.4	0	0	0	109.9	T156 Y173 L202 F206 V275 W279 I287 L288 L289 D290	T156-F204 HydrophobicContact CG2-CD1 4.38Å; T156-F204 HydrophobicContact CG2-CE1 3.81Å; Y173-F204 AromaticContact CD1-CD1 3.95Å; Y173-F204 HydrophobicContact CD1-CD1 3.95Å; Y173-F204 HydrophobicContact CE1-CD1 4.48Å; L202-F204 HydrophobicContact CB-CD2 4.39Å; L202-F204 HydrophobicContact CB-CE2 3.62Å; L202-F204 HydrophobicContact CB-CZ 3.96Å; L202-F204 HydrophobicContact CD1-CE2 4.36Å; L202-F204 HydrophobicContact CD1-CZ 3.97Å; F204-F206 HydrophobicContact CB-CD1 4.43Å; F204-F206 HydrophobicContact CB-CD2 4.3Å; F204-F206 HydrophobicContact CB-CE1 3.92Å; F204-F206 HydrophobicContact CB-CE2 3.77Å; F204-F206 HydrophobicContact CB-CZ 3.55Å; F204-F206 HydrophobicContact CD1-CE1 4.28Å; F204-F206 HydrophobicContact CD1-CZ 4.16Å; F204-F206 HydrophobicContact CD2-CZ 4.33Å; F204-F206 HydrophobicContact CG-CE1 4.24Å; F204-F206 HydrophobicContact CG-CE2 4.33Å; F204-F206 AromaticContact CG-CZ 3.76Å; F204-F206 HydrophobicContact CG-CZ 3.76Å; F204-V275 HydrophobicContact CD1-CG1 4.49Å; F204-V275 HydrophobicContact CE1-CG1 4.19Å; F204-W279 AromaticContact CE1-CD1 3.8Å; F204-W279 AromaticContact CE1-NE1 3.6Å; F204-W279 HydrophobicContact CE2-CG 4.44Å; F204-W279 HydrophobicContact CZ-CB 4.4Å; F204-W279 AromaticContact CZ-CD1 3.29Å; F204-W279 HydrophobicContact CZ-CD2 4.11Å; F204-W279 AromaticContact CZ-CE2 3.99Å; F204-W279 AromaticContact CZ-CG 3.69Å; F204-W279 HydrophobicContact CZ-CG 3.69Å; F204-W279 AromaticContact CZ-NE1 3.47Å; F204-I287 HydrophobicContact CD2-CG1 4.26Å; F204-I287 HydrophobicContact CD2-CG2 3.82Å; F204-I287 HydrophobicContact CE2-CD1 4.43Å; F204-I287 HydrophobicContact CE2-CG1 4.1Å; F204-L288 PolarHBondContact N-O 3.05Å; F204-L289 CarbonylContact O-C 3.51Å; F204-L289 WeakPolarHBondContact O-CA 3.42Å; F204-D290 PolarHBondContact O-N 2.64Å
205	D	96.6	Very high	97.1	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	112.7	162.5	178.3	8.1	0	0	0	108.1	Y173 N207 N291	Y173-D205 WeakPolarHBondContact CE1-O 3.37Å; Y173-D205 PolarHBondContact OH-O 3.12Å; D205-N207 WeakPolarHBondContact OD1-CB 3.37Å; D205-N207 PolarHBondContact OD1-N 3.22Å; D205-N291 VanDerWaalsContact CG-ND2 3.34Å; D205-N291 PolarHBondContact OD2-ND2 2.94Å
206	F	97.7	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.			trans	-101.5	7.6	175.1	-64.7	-49.5	0	0	0	113	Y173 F204 I272 V275 V276 L289 F295 F325	Y173-F206 HydrophobicContact CD1-CD1 4.45Å; Y173-F206 AromaticContact CD1-CE1 3.99Å; Y173-F206 HydrophobicContact CD1-CE1 3.99Å; Y173-F206 AromaticContact CE1-CD1 3.92Å; Y173-F206 HydrophobicContact CE1-CD1 3.92Å; Y173-F206 AromaticContact CE1-CE1 3.91Å; Y173-F206 HydrophobicContact CE1-CE1 3.91Å; Y173-F206 HydrophobicContact CE2-CD1 4.27Å; Y173-F206 HydrophobicContact CE2-CE1 4.49Å; Y173-F206 HydrophobicContact CG-CE1 4.31Å; Y173-F206 AromaticContact CZ-CD1 3.82Å; F204-F206 HydrophobicContact CB-CD1 4.43Å; F204-F206 HydrophobicContact CB-CD2 4.3Å; F204-F206 HydrophobicContact CB-CE1 3.92Å; F204-F206 HydrophobicContact CB-CE2 3.77Å; F204-F206 HydrophobicContact CB-CZ 3.55Å; F204-F206 HydrophobicContact CD1-CE1 4.28Å; F204-F206 HydrophobicContact CD1-CZ 4.16Å; F204-F206 HydrophobicContact CD2-CZ 4.33Å; F204-F206 HydrophobicContact CG-CE1 4.24Å; F204-F206 HydrophobicContact CG-CE2 4.33Å; F204-F206 AromaticContact CG-CZ 3.76Å; F204-F206 HydrophobicContact CG-CZ 3.76Å; F206-I272 HydrophobicContact CB-CD1 4.06Å; F206-I272 HydrophobicContact CD1-CD1 4.48Å; F206-I272 HydrophobicContact CD1-CG1 4.07Å; F206-I272 HydrophobicContact CD1-CG2 4.01Å; F206-I272 HydrophobicContact CD2-CG2 3.64Å; F206-I272 HydrophobicContact CE1-CG2 3.98Å; F206-I272 HydrophobicContact CE2-CG2 3.61Å; F206-I272 HydrophobicContact CG-CD1 4.28Å; F206-I272 HydrophobicContact CG-CG1 4.28Å; F206-I272 HydrophobicContact CG-CG2 3.86Å; F206-I272 HydrophobicContact CZ-CG2 3.79Å; F206-V275 HydrophobicContact CE1-CG1 4.13Å; F206-V275 HydrophobicContact CZ-CG1 4.09Å; F206-V276 HydrophobicContact CE2-CG2 4.3Å; F206-V276 HydrophobicContact CZ-CG2 4.39Å; F206-L289 HydrophobicContact CD2-CD2 3.64Å; F206-L289 HydrophobicContact CE2-CD2 3.58Å; F206-F295 HydrophobicContact CB-CE1 4.45Å; F206-F325 HydrophobicContact CB-CZ 4.4Å
207	N	95.4	Very high	97	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.112	C	C	.	.	S	Bend	trans	-65.9	-48.3	176	-172.1	74.9	0	0	0	111.1	D205 V253 D260 L261 N291 Y294 F295	D205-N207 WeakPolarHBondContact OD1-CB 3.37Å; D205-N207 PolarHBondContact OD1-N 3.22Å; N207-V253 WeakPolarHBondContact ND2-CG1 3.42Å; N207-D260 VanDerWaalsContact ND2-CG 3.32Å; N207-D260 PolarHBondContact ND2-OD1 2.75Å; N207-D260 PolarHBondContact ND2-OD2 3.4Å; N207-D260 CarbonylContact O-C 3.55Å; N207-D260 WeakPolarHBondContact O-CA 2.88Å; N207-L261 PolarHBondContact O-N 3.41Å; N207-N291 HydrophobicContact CB-CB 4.39Å; N207-Y294 WeakPolarHBondContact OD1-CB 3.34Å; N207-Y294 PolarHBondContact OD1-O 3.04Å; N207-F295 HydrophobicContact CB-CD1 3.99Å; N207-F295 HydrophobicContact CB-CE1 4.25Å; N207-F295 PolarHBondContact OD1-N 2.89Å
208	S	95.2	Very high	97.1	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.6	-170.5	76	0	0	0	0	112.5	Y173 F254 V259 D260	Y173-S208 PolarHBondContact OH-O 2.83Å; S208-F254 WeakPolarHBondContact OG-CD2 3.29Å; S208-V259 CarbonylContact C-O 3.44Å; S208-V259 WeakPolarHBondContact CA-O 3.44Å; S208-V259 VanDerWaalsContact CB-O 3.28Å; S208-V259 WeakPolarHBondContact CB-O 3.22Å; S208-D260 WeakPolarHBondContact CB-OD1 3.44Å
209	V	97.6	Very high	96.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166.2	174.1	-64.8	0	0	0	0	110.6	Y173 H213 W215 I216 S258 V259 L261	Y173-V209 HydrophobicContact CE2-CG1 3.6Å; Y173-V209 WeakPolarHBondContact OH-CG1 3.22Å; V209-H213 HydrophobicContact CB-CB 3.82Å; V209-H213 HydrophobicContact CG2-CB 3.95Å; V209-W215 HydrophobicContact CG1-CE3 4.39Å; V209-W215 HydrophobicContact CG1-CZ3 4.5Å; V209-I216 HydrophobicContact CG2-CD1 4.33Å; V209-I216 HydrophobicContact CG2-CG1 4.39Å; V209-S258 CarbonylContact O-C 3.58Å; V209-S258 WeakPolarHBondContact O-CA 3.3Å; V209-V259 HydrophobicContact CG2-CG1 3.87Å; V209-V259 PolarHBondContact N-O 2.75Å; V209-V259 PolarHBondContact O-N 3.4Å; V209-L261 HydrophobicContact CG1-CD1 4.14Å; V209-L261 HydrophobicContact CG1-CD2 4.31Å; V209-L261 HydrophobicContact CG1-CG 4.4Å; V209-L261 HydrophobicContact CG2-CD2 3.85Å
210	S	97.4	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	145.7	166.6	-175	0	0	0	0	110.2	V170 D212 H213	V170-S210 WeakPolarHBondContact O-CB 3.46Å; V170-S210 PolarHBondContact O-N 2.94Å; S210-D212 PolarHBondContact O-N 2.81Å; S210-D212 VanDerWaalsContact O-N 3.1Å; S210-D212 PolarHBondContact OG-N 3.19Å; S210-D212 VanDerWaalsContact OG-N 3.15Å; S210-H213 WeakPolarHBondContact O-CB 3.48Å; S210-H213 PolarHBondContact O-N 3.45Å
211	I	96.9	Very high	96.7	Very high	42 Å²	42	31.9 Å²	31.9	22%	0.215	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.9	166	62	179.6	0	0	0	112.6	V243 I245 P257 V259	I211-V243 HydrophobicContact CG2-CG2 3.68Å; I211-I245 HydrophobicContact CB-CD1 4.45Å; I211-I245 HydrophobicContact CB-CG1 4.36Å; I211-I245 HydrophobicContact CG2-CD1 3.89Å; I211-I245 HydrophobicContact CG2-CG1 3.79Å; I211-P257 HydrophobicContact CD1-CB 3.86Å; I211-P257 HydrophobicContact CG1-CB 3.97Å; I211-P257 WeakPolarHBondContact CG2-O 3.34Å; I211-P257 PolarHBondContact N-O 3.44Å; I211-V259 HydrophobicContact CG2-CB 4.39Å; I211-V259 HydrophobicContact CG2-CG1 4.42Å
212	D	96.7	Very high	96.6	Very high	51 Å²	51	36.1 Å²	36.1	27%	0.273	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.4	176	-65	-58.4	0	0	0	114	H164 S210 K217	H164-D212 IonicContact CD2-OD2 3.56Å; H164-D212 IonicContact CE1-OD2 2.89Å; H164-D212 IonicContact NE2-OD2 3.72Å; H164-D212 PolarHBondContact NE2-OD2 3.35Å; S210-D212 PolarHBondContact O-N 2.81Å; S210-D212 VanDerWaalsContact O-N 3.1Å; S210-D212 PolarHBondContact OG-N 3.19Å; S210-D212 VanDerWaalsContact OG-N 3.15Å; D212-K217 WeakPolarHBondContact O-CE 3.25Å; D212-K217 PolarHBondContact O-NZ 3.28Å
213	H	97.8	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.			trans	-60	139.3	-177.5	-169.4	-69.4	0	0	0	111.7	V170 E171 Y173 V209 S210 W215 I216	V170-H213 PolarHBondContact O-CD2 2.93Å; V170-H213 VanDerWaalsContact O-CD2 3.25Å; E171-H213 WeakPolarHBondContact O-CA 3.42Å; E171-H213 PolarHBondContact O-CD2 2.88Å; E171-H213 PolarHBondContact O-NE2 3.15Å; Y173-H213 AromaticContact CD2-NE2 3.41Å; Y173-H213 WeakPolarHBondContact CD2-NE2 2.95Å; Y173-H213 AromaticContact CE2-NE2 3.68Å; V209-H213 HydrophobicContact CB-CB 3.82Å; V209-H213 HydrophobicContact CG2-CB 3.95Å; S210-H213 WeakPolarHBondContact O-CB 3.48Å; S210-H213 PolarHBondContact O-N 3.45Å; H213-W215 AromaticContact CE1-CD1 3.7Å; H213-W215 AromaticContact CE1-CD2 3.19Å; H213-W215 AromaticContact CE1-CE2 3.64Å; H213-W215 AromaticContact CE1-CE3 3.58Å; H213-W215 AromaticContact CE1-CG 3.28Å; H213-W215 AromaticContact CE1-NE1 3.87Å; H213-W215 WeakPolarHBondContact ND1-CB 3.34Å; H213-W215 AromaticContact ND1-CD2 3.65Å; H213-W215 AromaticContact ND1-CE3 3.98Å; H213-W215 AromaticContact ND1-CG 3.36Å; H213-W215 PolarHBondContact ND1-N 3.1Å; H213-W215 PolarHBondContact O-N 2.83Å; H213-W215 VanDerWaalsContact O-N 3.12Å; H213-I216 HydrophobicContact CB-CG1 4.37Å; H213-I216 WeakPolarHBondContact O-CB 3.29Å; H213-I216 PolarHBondContact O-N 3.48Å
214	K	96.8	Very high	96.3	Very high	41 Å²	41	38.8 Å²	38.8	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-53.8	-38.6	-176.5	70.8	177.9	-177.9	-168.3	0	112.8	E171 D172 E174 I216 K217 E218	E171-K214 PolarHBondContact O-N 2.73Å; E171-K214 VanDerWaalsContact O-N 3.07Å; D172-K214 HydrophobicContact CB-CD 4.33Å; D172-K214 WeakPolarHBondContact OD1-CE 3.39Å; D172-K214 IonicContact OD1-NZ 2.99Å; D172-K214 PolarHBondContact OD1-NZ 2.79Å; D172-K214 VanDerWaalsContact OD2-CD 3.24Å; D172-K214 WeakPolarHBondContact OD2-CD 3.41Å; D172-K214 VanDerWaalsContact OD2-CE 3.26Å; D172-K214 WeakPolarHBondContact OD2-CE 3.3Å; D172-K214 IonicContact OD2-NZ 3.79Å; D172-K214 PolarHBondContact OD2-NZ 3.23Å; E174-K214 IonicContact OE2-NZ 3.41Å; E174-K214 PolarHBondContact OE2-NZ 3.17Å; K214-I216 VanDerWaalsContact C-N 3.27Å; K214-I216 PolarHBondContact O-N 3.2Å; K214-K217 PolarHBondContact O-N 3.3Å; K214-K217 VanDerWaalsContact O-N 3.08Å; K214-E218 WeakPolarHBondContact O-CB 3.5Å; K214-E218 VanDerWaalsContact O-CG 3.3Å; K214-E218 WeakPolarHBondContact O-CG 3.24Å; K214-E218 PolarHBondContact O-N 3Å
215	W	97.9	Very high	96	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-32.7	176.5	-64	-16.5	0	0	0	115	Y173 V209 H213 D219 R220 I221 L261 A271 I272 V275	Y173-W215 HydrophobicContact CD2-CE3 4.34Å; Y173-W215 AromaticContact CD2-CH2 3.34Å; Y173-W215 HydrophobicContact CD2-CH2 3.34Å; Y173-W215 AromaticContact CD2-CZ2 3.86Å; Y173-W215 HydrophobicContact CD2-CZ2 3.86Å; Y173-W215 AromaticContact CD2-CZ3 3.61Å; Y173-W215 HydrophobicContact CD2-CZ3 3.61Å; Y173-W215 HydrophobicContact CE2-CE3 4.21Å; Y173-W215 AromaticContact CE2-CH2 3.65Å; Y173-W215 HydrophobicContact CE2-CH2 3.65Å; Y173-W215 AromaticContact CE2-CZ3 3.45Å; Y173-W215 HydrophobicContact CE2-CZ3 3.45Å; Y173-W215 VanDerWaalsContact CE2-CZ3 3.45Å; Y173-W215 HydrophobicContact CG-CH2 4.4Å; V209-W215 HydrophobicContact CG1-CE3 4.39Å; V209-W215 HydrophobicContact CG1-CZ3 4.5Å; H213-W215 AromaticContact CE1-CD1 3.7Å; H213-W215 AromaticContact CE1-CD2 3.19Å; H213-W215 AromaticContact CE1-CE2 3.64Å; H213-W215 AromaticContact CE1-CE3 3.58Å; H213-W215 AromaticContact CE1-CG 3.28Å; H213-W215 AromaticContact CE1-NE1 3.87Å; H213-W215 WeakPolarHBondContact ND1-CB 3.34Å; H213-W215 AromaticContact ND1-CD2 3.65Å; H213-W215 AromaticContact ND1-CE3 3.98Å; H213-W215 AromaticContact ND1-CG 3.36Å; H213-W215 PolarHBondContact ND1-N 3.1Å; H213-W215 PolarHBondContact O-N 2.83Å; H213-W215 VanDerWaalsContact O-N 3.12Å; W215-D219 PolarHBondContact O-N 2.83Å; W215-D219 VanDerWaalsContact O-N 3.14Å; W215-R220 HydrophobicContact CB-CB 4.25Å; W215-R220 HydrophobicContact CG-CB 4.31Å; W215-R220 PolarHBondContact O-N 3.43Å; W215-I221 HydrophobicContact CB-CB 4.34Å; W215-I221 HydrophobicContact CB-CG1 3.6Å; W215-I221 HydrophobicContact CB-CG2 3.9Å; W215-I221 HydrophobicContact CD2-CG2 3.69Å; W215-I221 HydrophobicContact CE3-CB 4.47Å; W215-I221 HydrophobicContact CE3-CG1 4.25Å; W215-I221 HydrophobicContact CE3-CG2 3.5Å; W215-I221 VanDerWaalsContact CE3-CG2 3.5Å; W215-I221 HydrophobicContact CG-CG1 4.46Å; W215-I221 HydrophobicContact CG-CG2 3.93Å; W215-I221 HydrophobicContact CZ3-CG2 4.18Å; W215-L261 HydrophobicContact CZ3-CD1 4.09Å; W215-A271 HydrophobicContact CD2-CB 4.42Å; W215-A271 HydrophobicContact CH2-CB 4.27Å; W215-A271 HydrophobicContact CZ2-CB 3.95Å; W215-I272 HydrophobicContact CH2-CG1 4.03Å; W215-I272 HydrophobicContact CZ3-CG1 4.24Å; W215-V275 HydrophobicContact CH2-CG2 3.95Å; W215-V275 HydrophobicContact CZ2-CG2 3.61Å
216	I	96.5	Very high	95.8	Very high	18 Å²	18	44 Å²	44	9%	0.092	21%	0.207	C	C	.	.	H	α-helix	trans	-69	-43.5	175.7	-58.4	-66.5	0	0	0	109.9	V209 H213 K214 E218 I221 P223 I245 V259	V209-I216 HydrophobicContact CG2-CD1 4.33Å; V209-I216 HydrophobicContact CG2-CG1 4.39Å; H213-I216 HydrophobicContact CB-CG1 4.37Å; H213-I216 WeakPolarHBondContact O-CB 3.29Å; H213-I216 PolarHBondContact O-N 3.48Å; K214-I216 VanDerWaalsContact C-N 3.27Å; K214-I216 PolarHBondContact O-N 3.2Å; I216-E218 VanDerWaalsContact C-N 3.33Å; I216-I221 HydrophobicContact CD1-CD1 3.62Å; I216-I221 HydrophobicContact CD1-CG1 4.44Å; I216-P223 HydrophobicContact CD1-CB 4.48Å; I216-P223 HydrophobicContact CD1-CG 3.75Å; I216-I245 HydrophobicContact CD1-CD1 4.31Å; I216-I245 HydrophobicContact CG2-CD1 4.39Å; I216-I245 HydrophobicContact CG2-CG2 3.85Å; I216-V259 HydrophobicContact CD1-CG1 4Å
217	K	93.7	Very high	95.4	Very high	131 Å²	131	48.2 Å²	48.2	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-69.8	-31.9	-179.5	-64.6	166.4	178.9	156.6	0	112.4	D212 K214	D212-K217 WeakPolarHBondContact O-CE 3.25Å; D212-K217 PolarHBondContact O-NZ 3.28Å; K214-K217 PolarHBondContact O-N 3.3Å; K214-K217 VanDerWaalsContact O-N 3.08Å
218	E	95.5	Very high	95	Very high	92 Å²	92	54 Å²	54	43%	0.43	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	0.5	-176.5	-66	174.8	-160.8	0	0	113.7	K214 I216 R220	K214-E218 WeakPolarHBondContact O-CB 3.5Å; K214-E218 VanDerWaalsContact O-CG 3.3Å; K214-E218 WeakPolarHBondContact O-CG 3.24Å; K214-E218 PolarHBondContact O-N 3Å; I216-E218 VanDerWaalsContact C-N 3.33Å; E218-R220 HydrophobicContact CB-CG 3.89Å; E218-R220 PolarHBondContact O-N 2.8Å; E218-R220 IonicContact OE2-CZ 2.7Å; E218-R220 IonicContact OE2-NE 2.93Å; E218-R220 PolarHBondContact OE2-NE 2.64Å; E218-R220 IonicContact OE2-NH2 3.63Å; E218-R220 PolarHBondContact OE2-NH2 3.22Å
219	D	93.1	Very high	94.5	Very high	143 Å²	143	56.5 Å²	56.5	77%	0.765	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.1	-176.3	-161.4	36	0	0	0	113.2	W215	W215-D219 PolarHBondContact O-N 2.83Å; W215-D219 VanDerWaalsContact O-N 3.14Å
220	R	94.7	Very high	93.8	Very high	118 Å²	118	57.3 Å²	57.3	45%	0.445	28%	0.283	S	S	.	.			trans	-83	-22.6	-179.5	-70.7	-157.8	-164.8	-170.8	11.8	113.6	W215 E218	W215-R220 HydrophobicContact CB-CB 4.25Å; W215-R220 HydrophobicContact CG-CB 4.31Å; W215-R220 PolarHBondContact O-N 3.43Å; E218-R220 HydrophobicContact CB-CG 3.89Å; E218-R220 PolarHBondContact O-N 2.8Å; E218-R220 IonicContact OE2-CZ 2.7Å; E218-R220 IonicContact OE2-NE 2.93Å; E218-R220 PolarHBondContact OE2-NE 2.64Å; E218-R220 IonicContact OE2-NH2 3.63Å; E218-R220 PolarHBondContact OE2-NH2 3.22Å
221	I	96.9	Very high	93.1	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.031	32%	0.315	C	S	.	.	S	Bend	trans	-129.2	161	-177.4	66	77.9	0	0	0	109.5	W215 I216 P223 L261 T268 A271	W215-I221 HydrophobicContact CB-CB 4.34Å; W215-I221 HydrophobicContact CB-CG1 3.6Å; W215-I221 HydrophobicContact CB-CG2 3.9Å; W215-I221 HydrophobicContact CD2-CG2 3.69Å; W215-I221 HydrophobicContact CE3-CB 4.47Å; W215-I221 HydrophobicContact CE3-CG1 4.25Å; W215-I221 HydrophobicContact CE3-CG2 3.5Å; W215-I221 VanDerWaalsContact CE3-CG2 3.5Å; W215-I221 HydrophobicContact CG-CG1 4.46Å; W215-I221 HydrophobicContact CG-CG2 3.93Å; W215-I221 HydrophobicContact CZ3-CG2 4.18Å; I216-I221 HydrophobicContact CD1-CD1 3.62Å; I216-I221 HydrophobicContact CD1-CG1 4.44Å; I221-P223 HydrophobicContact CD1-CB 4.39Å; I221-P223 HydrophobicContact CD1-CG 3.87Å; I221-L261 HydrophobicContact CB-CD2 4.31Å; I221-L261 HydrophobicContact CD1-CD2 3.39Å; I221-L261 HydrophobicContact CG1-CD2 3.79Å; I221-T268 HydrophobicContact CB-CG2 4.39Å; I221-T268 HydrophobicContact CG2-CG2 4.49Å; I221-A271 HydrophobicContact CG2-CB 3.71Å
222	K	96.3	Very high	92.3	Very high	89 Å²	89	70.1 Å²	70.1	39%	0.387	34%	0.344	S	S	.	.			trans	-105.4	116.5	172.1	-170.8	-179.4	177.5	-161.1	0	109.6	D262 D265 T268	K222-D262 HydrophobicContact CB-CB 4.37Å; K222-D262 HydrophobicContact CD-CB 4.46Å; K222-D262 HydrophobicContact CG-CB 4.38Å; K222-D262 IonicContact NZ-OD2 3.44Å; K222-D262 PolarHBondContact NZ-OD2 3.15Å; K222-D262 WeakPolarHBondContact O-CB 3.39Å; K222-D262 PolarHBondContact O-N 3.01Å; K222-D265 HydrophobicContact CB-CB 4.08Å; K222-D265 HydrophobicContact CD-CB 4.2Å; K222-T268 PolarHBondContact N-OG1 2.8Å; K222-T268 PolarHBondContact O-OG1 3.33Å
223	P	96.8	Very high	91.7	Very high	15 Å²	15	71.8 Å²	71.8	10%	0.097	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-74.5	150.8	171.6	-0.9	16.5	0	0	0	110.7	I216 I221 L225 Y250 V259 D260	I216-P223 HydrophobicContact CD1-CB 4.48Å; I216-P223 HydrophobicContact CD1-CG 3.75Å; I221-P223 HydrophobicContact CD1-CB 4.39Å; I221-P223 HydrophobicContact CD1-CG 3.87Å; P223-L225 PolarHBondContact O-N 3.11Å; P223-Y250 HydrophobicContact CB-CD1 3.57Å; P223-Y250 HydrophobicContact CB-CE1 3.88Å; P223-Y250 HydrophobicContact CB-CG 4.05Å; P223-Y250 HydrophobicContact CG-CD1 4.05Å; P223-Y250 HydrophobicContact CG-CE1 3.85Å; P223-V259 HydrophobicContact CB-CG2 3.6Å; P223-D260 CarbonylContact C-O 3.56Å; P223-D260 WeakPolarHBondContact CA-O 3.38Å
224	K	94.4	Very high	91.1	Very high	47 Å²	47	75.7 Å²	75.7	20%	0.204	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-66.9	122.3	-178.6	-177	69.2	169	-168.8	0	110.5	Y250 Y251 D260 E297	K224-Y250 CarbonylContact O-C 3.44Å; K224-Y250 WeakPolarHBondContact O-CA 3.25Å; K224-Y250 VanDerWaalsContact O-CB 3.27Å; K224-Y250 WeakPolarHBondContact O-CB 3.35Å; K224-Y250 WeakPolarHBondContact O-CD1 3.32Å; K224-Y251 HydrophobicContact CG-CD1 4.01Å; K224-Y251 HydrophobicContact CG-CG 4.33Å; K224-Y251 PolarHBondContact O-N 3.42Å; K224-D260 HydrophobicContact CB-CB 4.33Å; K224-D260 PolarHBondContact N-O 3.16Å; K224-E297 IonicContact NZ-OE2 2.6Å
225	L	93.4	Very high	90.4	Very high	94 Å²	94	73.9 Å²	73.9	49%	0.492	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-65.3	141.5	178	-71.3	172.8	0	0	0	111.5	P223 D227 Q248 Y250	P223-L225 PolarHBondContact O-N 3.11Å; L225-D227 PolarHBondContact O-N 2.85Å; L225-Q248 HydrophobicContact CD2-CG 4.09Å; L225-Y250 HydrophobicContact CD2-CD1 4.15Å; L225-Y250 HydrophobicContact CD2-CE1 3.84Å
226	F	92	Very high	89.6	Confident	26 Å²	26	76.3 Å²	76.3	11%	0.114	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-71.9	124.3	175.8	-173.7	-106.2	0	0	0	111.3	L230 K231 P241 K249	F226-L230 HydrophobicContact CE2-CB 3.98Å; F226-L230 HydrophobicContact CZ-CB 4.02Å; F226-K231 HydrophobicContact CE1-CB 4.5Å; F226-P241 HydrophobicContact CE2-CB 4.49Å; F226-P241 HydrophobicContact CE2-CG 4.15Å; F226-K249 HydrophobicContact CB-CB 3.82Å; F226-K249 HydrophobicContact CG-CB 4.41Å; F226-K249 PolarHBondContact N-O 3.49Å
227	D	88.4	Confident	88.9	Confident	89 Å²	89	76.3 Å²	76.3	48%	0.476	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-84.2	124.9	168.6	-175.9	-0.9	0	0	0	110.4	L225 S229 L230	L225-D227 PolarHBondContact O-N 2.85Å; D227-S229 PolarHBondContact O-N 3.05Å; D227-S229 VanDerWaalsContact O-N 3.15Å; D227-S229 PolarHBondContact OD1-N 3.47Å; D227-S229 PolarHBondContact OD1-OG 3.29Å; D227-S229 WeakPolarHBondContact OD2-CB 3.37Å; D227-S229 PolarHBondContact OD2-OG 3.17Å; D227-L230 HydrophobicContact CB-CD1 4.3Å; D227-L230 HydrophobicContact CB-CG 4.28Å; D227-L230 WeakPolarHBondContact O-CB 3.36Å; D227-L230 PolarHBondContact O-N 2.98Å
228	N	87	Confident	88.3	Confident	122 Å²	122	72.6 Å²	72.6	65%	0.652	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61.9	-19.7	177.5	-78	-43	0	0	0	113.5	L230 K231	N228-L230 PolarHBondContact O-N 2.98Å; N228-K231 VanDerWaalsContact O-CB 3.3Å; N228-K231 WeakPolarHBondContact O-CB 3.33Å; N228-K231 PolarHBondContact O-N 3.09Å
229	S	84.2	Confident	87.8	Confident	58 Å²	58	70.4 Å²	70.4	41%	0.406	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.6	170.2	73.6	0	0	0	0	112.1	D227 K231	D227-S229 PolarHBondContact O-N 3.05Å; D227-S229 VanDerWaalsContact O-N 3.15Å; D227-S229 PolarHBondContact OD1-N 3.47Å; D227-S229 PolarHBondContact OD1-OG 3.29Å; D227-S229 WeakPolarHBondContact OD2-CB 3.37Å; D227-S229 PolarHBondContact OD2-OG 3.17Å; S229-K231 PolarHBondContact O-N 2.97Å
230	L	83.6	Confident	87.7	Confident	18 Å²	18	66.9 Å²	66.9	9%	0.094	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-86.8	0.5	-177.9	-55	177.1	0	0	0	113.7	F226 D227 N228 N232 K233 Y251	F226-L230 HydrophobicContact CE2-CB 3.98Å; F226-L230 HydrophobicContact CZ-CB 4.02Å; D227-L230 HydrophobicContact CB-CD1 4.3Å; D227-L230 HydrophobicContact CB-CG 4.28Å; D227-L230 WeakPolarHBondContact O-CB 3.36Å; D227-L230 PolarHBondContact O-N 2.98Å; N228-L230 PolarHBondContact O-N 2.98Å; L230-N232 PolarHBondContact O-N 2.76Å; L230-K233 HydrophobicContact CB-CG 4.36Å; L230-K233 HydrophobicContact CD2-CG 4.11Å; L230-K233 WeakPolarHBondContact O-CB 3.37Å; L230-K233 PolarHBondContact O-N 2.79Å; L230-Y251 HydrophobicContact CD1-CD2 3.67Å; L230-Y251 HydrophobicContact CD1-CE2 3.8Å
231	K	81.5	Confident	87.5	Confident	155 Å²	155	61.4 Å²	61.4	67%	0.674	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-55.2	-29.4	-173.9	-175.1	176.7	178	-178.2	0	114.7	F226 N228 S229	F226-K231 HydrophobicContact CE1-CB 4.5Å; N228-K231 VanDerWaalsContact O-CB 3.3Å; N228-K231 WeakPolarHBondContact O-CB 3.33Å; N228-K231 PolarHBondContact O-N 3.09Å; S229-K231 PolarHBondContact O-N 2.97Å
232	N	82	Confident	87.3	Confident	156 Å²	156	61.9 Å²	61.9	83%	0.834	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-102.4	7.7	179.8	-63	-33.6	0	0	0	113.3	L230	L230-N232 PolarHBondContact O-N 2.76Å
233	K	83.9	Confident	87.2	Confident	86 Å²	86	57.7 Å²	57.7	37%	0.374	31%	0.31	S	S	.	.			trans	-90	164.4	176.7	-56.8	-77.6	-174.8	150.5	0	109.5	L230 P241 E300	L230-K233 HydrophobicContact CB-CG 4.36Å; L230-K233 HydrophobicContact CD2-CG 4.11Å; L230-K233 WeakPolarHBondContact O-CB 3.37Å; L230-K233 PolarHBondContact O-N 2.79Å; K233-P241 HydrophobicContact CB-CG 4.49Å; K233-P241 VanDerWaalsContact O-CD 3.28Å; K233-P241 WeakPolarHBondContact O-CD 3.49Å; K233-E300 IonicContact NZ-OE1 2.79Å
234	I	83.6	Confident	87.2	Confident	82 Å²	82	61.6 Å²	61.6	42%	0.421	33%	0.33	S	S	.	.			trans	-119.7	135.2	178.5	-56.3	176.9	0	0	0	106.9	G238 K239	I234-G238 WeakPolarHBondContact CG2-O 3.37Å; I234-K239 WeakPolarHBondContact CG2-O 3.31Å
235	S	84	Confident	87.2	Confident	2 Å²	2	60 Å²	60	1%	0.014	32%	0.323	C	S	.	.			trans	-60.3	169	172.4	69.8	0	0	0	0	111.3	Y237 G238 K239 V253	S235-Y237 PolarHBondContact O-N 3.35Å; S235-Y237 VanDerWaalsContact O-N 3.1Å; S235-G238 PolarHBondContact O-N 3.35Å; S235-G238 VanDerWaalsContact O-N 3.11Å; S235-K239 VanDerWaalsContact CB-O 3.3Å; S235-K239 WeakPolarHBondContact CB-O 3.34Å; S235-K239 PolarHBondContact N-O 3.23Å; S235-K239 VanDerWaalsContact OG-CA 3.3Å; S235-K239 WeakPolarHBondContact OG-CA 3.5Å; S235-K239 WeakPolarHBondContact OG-CB 3.2Å; S235-K239 PolarHBondContact OG-N 3.39Å; S235-K239 PolarHBondContact OG-O 3.15Å; S235-V253 WeakPolarHBondContact CB-O 3.46Å
236	R	80.6	Confident	87.2	Confident	55 Å²	55	64.6 Å²	64.6	21%	0.208	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.5	-177.7	-178.9	67	-169.2	92.8	13.4	113.7	V253 F254 D352	R236-V253 HydrophobicContact CB-CG2 4.4Å; R236-V253 WeakPolarHBondContact CB-O 3.25Å; R236-V253 PolarHBondContact N-O 3.38Å; R236-F254 HydrophobicContact CB-CD1 4.34Å; R236-D352 IonicContact CZ-OD1 3.88Å; R236-D352 PolarHBondContact NE-O 3.19Å; R236-D352 IonicContact NE-OD1 3.05Å; R236-D352 IonicContact NH2-OD1 3.59Å; R236-D352 PolarHBondContact NH2-OD1 3.04Å
237	Y	80.7	Confident	87.1	Confident	19 Å²	19	68.3 Å²	68.3	8%	0.075	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	25.6	-174.9	-62.7	-54	0	0	0	113.9	S235 K239 F254 D352 Y467 H468 E470	S235-Y237 PolarHBondContact O-N 3.35Å; S235-Y237 VanDerWaalsContact O-N 3.1Å; Y237-K239 PolarHBondContact O-N 3.36Å; Y237-F254 HydrophobicContact CD2-CB 4.02Å; Y237-F254 AromaticContact CD2-CD1 3.87Å; Y237-F254 HydrophobicContact CD2-CD1 3.87Å; Y237-F254 HydrophobicContact CD2-CG 4.32Å; Y237-F254 HydrophobicContact CE2-CB 4.12Å; Y237-F254 AromaticContact CE2-CD1 3.33Å; Y237-F254 HydrophobicContact CE2-CD1 3.33Å; Y237-F254 HydrophobicContact CE2-CE1 4.01Å; Y237-F254 AromaticContact CE2-CG 3.95Å; Y237-F254 HydrophobicContact CE2-CG 3.95Å; Y237-D352 VanDerWaalsContact CE1-OD2 3.28Å; Y237-D352 WeakPolarHBondContact CE1-OD2 3.15Å; Y237-D352 PolarHBondContact OH-OD2 3.34Å; Y237-Y467 WeakPolarHBondContact OH-CD1 3.47Å; Y237-H468 HydrophobicContact CD2-CB 3.64Å; Y237-H468 HydrophobicContact CE2-CB 3.66Å; Y237-H468 AromaticContact CE2-CD2 3.89Å; Y237-E470 HydrophobicContact CD1-CB 3.39Å; Y237-E470 HydrophobicContact CE1-CB 3.67Å; Y237-E470 HydrophobicContact CG-CB 4.02Å
238	G	81.6	Confident	87.4	Confident	53 Å²	53	68.6 Å²	68.6	55%	0.546	37%	0.369	S	S	.	.	S	Bend	trans	81.6	-1.4	174.4	0	0	0	0	0	114.7	I234 S235	I234-G238 WeakPolarHBondContact CG2-O 3.37Å; S235-G238 PolarHBondContact O-N 3.35Å; S235-G238 VanDerWaalsContact O-N 3.11Å
239	K	85.9	Confident	87.9	Confident	46 Å²	46	67.6 Å²	67.6	20%	0.2	36%	0.359	C	S	.	.	S	Bend	trans	-88.3	173.9	179.5	-50.9	179.7	-170.1	163.9	0	112.4	I234 S235 Y237 F254 S256 H468	I234-K239 WeakPolarHBondContact CG2-O 3.31Å; S235-K239 VanDerWaalsContact CB-O 3.3Å; S235-K239 WeakPolarHBondContact CB-O 3.34Å; S235-K239 PolarHBondContact N-O 3.23Å; S235-K239 VanDerWaalsContact OG-CA 3.3Å; S235-K239 WeakPolarHBondContact OG-CA 3.5Å; S235-K239 WeakPolarHBondContact OG-CB 3.2Å; S235-K239 PolarHBondContact OG-N 3.39Å; S235-K239 PolarHBondContact OG-O 3.15Å; Y237-K239 PolarHBondContact O-N 3.36Å; K239-F254 PolarHBondContact NZ-O 3.11Å; K239-S256 PolarHBondContact NZ-O 3.31Å; K239-H468 WeakPolarHBondContact CE-O 3.43Å; K239-H468 PolarHBondContact NZ-O 2.96Å
240	S	89.7	Confident	88.4	Confident	68 Å²	68	66.8 Å²	66.8	48%	0.476	35%	0.348	S	S	.	.			trans	-60.1	132	164.6	170.2	0	0	0	0	111	S242 G255	S240-S242 PolarHBondContact O-N 3.44Å; S240-S242 WeakPolarHBondContact OG-CB 3.07Å; S240-S242 PolarHBondContact OG-N 3Å; S240-S242 PolarHBondContact OG-O 2.87Å; S240-G255 WeakPolarHBondContact O-CA 3.34Å
241	P	90.1	Very high	88.9	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.026	34%	0.344	C	S	.	.	S	Bend	trans	-76.3	-6.2	170.4	32	-33.7	0	0	0	112.9	F226 K233 Y251 S252	F226-P241 HydrophobicContact CE2-CB 4.49Å; F226-P241 HydrophobicContact CE2-CG 4.15Å; K233-P241 HydrophobicContact CB-CG 4.49Å; K233-P241 VanDerWaalsContact O-CD 3.28Å; K233-P241 WeakPolarHBondContact O-CD 3.49Å; P241-Y251 HydrophobicContact CB-CD2 4.33Å; P241-Y251 HydrophobicContact CB-CE2 4.13Å; P241-Y251 CarbonylContact O-C 3.17Å; P241-Y251 WeakPolarHBondContact O-CA 3.46Å; P241-S252 WeakPolarHBondContact CA-O 3.42Å; P241-S252 PolarHBondContact O-N 2.86Å
242	S	93.5	Very high	89.5	Confident	16 Å²	16	58.9 Å²	58.9	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.6	170.9	-177.3	0	0	0	0	109.8	S240 Y250	S240-S242 PolarHBondContact O-N 3.44Å; S240-S242 WeakPolarHBondContact OG-CB 3.07Å; S240-S242 PolarHBondContact OG-N 3Å; S240-S242 PolarHBondContact OG-O 2.87Å; S242-Y250 WeakPolarHBondContact CA-O 3.36Å
243	V	94.7	Very high	89.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136	169.2	61.7	0	0	0	0	109.4	I211 Y250 V259	I211-V243 HydrophobicContact CG2-CG2 3.68Å; V243-Y250 PolarHBondContact N-O 2.93Å; V243-Y250 PolarHBondContact O-N 3.09Å; V243-V259 HydrophobicContact CG1-CB 3.87Å; V243-V259 HydrophobicContact CG1-CG2 3.77Å
244	D	95.8	Very high	90	Very high	97 Å²	97	47.4 Å²	47.4	52%	0.519	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	178	-65.2	-59.1	0	0	0	109.4	K249	D244-K249 WeakPolarHBondContact OD1-CE 3.23Å; D244-K249 WeakPolarHBondContact OD1-CG 3.32Å
245	I	95.3	Very high	90.3	Very high	13 Å²	13	43.5 Å²	43.5	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	167.9	-51.9	175.7	0	0	0	106.9	I211 I216 A247 Q248 Y250 V259	I211-I245 HydrophobicContact CB-CD1 4.45Å; I211-I245 HydrophobicContact CB-CG1 4.36Å; I211-I245 HydrophobicContact CG2-CD1 3.89Å; I211-I245 HydrophobicContact CG2-CG1 3.79Å; I216-I245 HydrophobicContact CD1-CD1 4.31Å; I216-I245 HydrophobicContact CG2-CD1 4.39Å; I216-I245 HydrophobicContact CG2-CG2 3.85Å; I245-A247 PolarHBondContact O-N 3.39Å; I245-Q248 PolarHBondContact N-O 2.91Å; I245-Q248 PolarHBondContact O-N 3.21Å; I245-Q248 VanDerWaalsContact O-N 3.09Å; I245-Y250 HydrophobicContact CB-CD2 3.83Å; I245-Y250 HydrophobicContact CB-CE2 3.71Å; I245-Y250 HydrophobicContact CD1-CD2 3.87Å; I245-Y250 HydrophobicContact CD1-CE2 4.25Å; I245-Y250 HydrophobicContact CD1-CG 4.46Å; I245-Y250 HydrophobicContact CG1-CD2 3.85Å; I245-Y250 HydrophobicContact CG1-CE2 4.22Å; I245-V259 HydrophobicContact CD1-CB 4.02Å; I245-V259 HydrophobicContact CD1-CG1 3.9Å; I245-V259 HydrophobicContact CD1-CG2 3.91Å
246	Y	92.2	Very high	90.8	Very high	190 Å²	190	46.2 Å²	46.2	75%	0.745	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-117	-170.8	-50.4	-61.4	0	0	0	111.7
247	A	91.2	Very high	91.5	Very high	105 Å²	105	43.9 Å²	43.9	87%	0.868	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	9.7	-179.6	0	0	0	0	0	113.5	I245	I245-A247 PolarHBondContact O-N 3.39Å
248	Q	95.2	Very high	92.2	Very high	94 Å²	94	43 Å²	43	44%	0.439	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.9	-172.6	-173.6	59.9	48.4	0	0	111.6	L225 I245 Y250	L225-Q248 HydrophobicContact CD2-CG 4.09Å; I245-Q248 PolarHBondContact N-O 2.91Å; I245-Q248 PolarHBondContact O-N 3.21Å; I245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-Y250 HydrophobicContact CB-CE2 3.71Å; Q248-Y250 HydrophobicContact CG-CD2 4.49Å; Q248-Y250 HydrophobicContact CG-CE1 4.21Å; Q248-Y250 HydrophobicContact CG-CE2 3.78Å
249	K	95.9	Very high	92.9	Very high	102 Å²	102	40.4 Å²	40.4	44%	0.443	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	175.9	-73.7	-178.1	175.7	-160.9	0	111.6	F226 D244	F226-K249 HydrophobicContact CB-CB 3.82Å; F226-K249 HydrophobicContact CG-CB 4.41Å; F226-K249 PolarHBondContact N-O 3.49Å; D244-K249 WeakPolarHBondContact OD1-CE 3.23Å; D244-K249 WeakPolarHBondContact OD1-CG 3.32Å
250	Y	96.2	Very high	93.4	Very high	41 Å²	41	38.2 Å²	38.2	16%	0.161	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.2	178	-60.4	-83.9	0	0	0	110.7	P223 K224 L225 S242 V243 I245 Q248 V259	P223-Y250 HydrophobicContact CB-CD1 3.57Å; P223-Y250 HydrophobicContact CB-CE1 3.88Å; P223-Y250 HydrophobicContact CB-CG 4.05Å; P223-Y250 HydrophobicContact CG-CD1 4.05Å; P223-Y250 HydrophobicContact CG-CE1 3.85Å; K224-Y250 CarbonylContact O-C 3.44Å; K224-Y250 WeakPolarHBondContact O-CA 3.25Å; K224-Y250 VanDerWaalsContact O-CB 3.27Å; K224-Y250 WeakPolarHBondContact O-CB 3.35Å; K224-Y250 WeakPolarHBondContact O-CD1 3.32Å; L225-Y250 HydrophobicContact CD2-CD1 4.15Å; L225-Y250 HydrophobicContact CD2-CE1 3.84Å; S242-Y250 WeakPolarHBondContact CA-O 3.36Å; V243-Y250 PolarHBondContact N-O 2.93Å; V243-Y250 PolarHBondContact O-N 3.09Å; I245-Y250 HydrophobicContact CB-CD2 3.83Å; I245-Y250 HydrophobicContact CB-CE2 3.71Å; I245-Y250 HydrophobicContact CD1-CD2 3.87Å; I245-Y250 HydrophobicContact CD1-CE2 4.25Å; I245-Y250 HydrophobicContact CD1-CG 4.46Å; I245-Y250 HydrophobicContact CG1-CD2 3.85Å; I245-Y250 HydrophobicContact CG1-CE2 4.22Å; Q248-Y250 HydrophobicContact CB-CE2 3.71Å; Q248-Y250 HydrophobicContact CG-CD2 4.49Å; Q248-Y250 HydrophobicContact CG-CE1 4.21Å; Q248-Y250 HydrophobicContact CG-CE2 3.78Å; Y250-V259 HydrophobicContact CG-CG2 4.25Å
251	Y	94.1	Very high	93.8	Very high	7 Å²	7	35 Å²	35	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	148.8	177.6	173.9	-100.1	0	0	0	111	K224 L230 P241 V253 D260 E297 Q313 E316	K224-Y251 HydrophobicContact CG-CD1 4.01Å; K224-Y251 HydrophobicContact CG-CG 4.33Å; K224-Y251 PolarHBondContact O-N 3.42Å; L230-Y251 HydrophobicContact CD1-CD2 3.67Å; L230-Y251 HydrophobicContact CD1-CE2 3.8Å; P241-Y251 HydrophobicContact CB-CD2 4.33Å; P241-Y251 HydrophobicContact CB-CE2 4.13Å; P241-Y251 CarbonylContact O-C 3.17Å; P241-Y251 WeakPolarHBondContact O-CA 3.46Å; Y251-V253 HydrophobicContact CE1-CB 4.41Å; Y251-D260 HydrophobicContact CD1-CB 4.07Å; Y251-D260 HydrophobicContact CE1-CB 4.47Å; Y251-D260 VanDerWaalsContact CE1-OD2 3.22Å; Y251-D260 WeakPolarHBondContact CE1-OD2 3.34Å; Y251-D260 PolarHBondContact O-N 3.28Å; Y251-D260 VanDerWaalsContact O-N 3.09Å; Y251-E297 HydrophobicContact CE1-CG 4Å; Y251-E297 VanDerWaalsContact CE1-OE1 3.31Å; Y251-E297 WeakPolarHBondContact CE1-OE1 3.49Å; Y251-Q313 PolarHBondContact OH-NE2 3.41Å; Y251-E316 PolarHBondContact OH-OE2 3.15Å
252	S	92.9	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.			trans	-153.3	117.8	177.1	-180	0	0	0	0	110.7	P241 F254 G255 S258	P241-S252 WeakPolarHBondContact CA-O 3.42Å; P241-S252 PolarHBondContact O-N 2.86Å; S252-F254 VanDerWaalsContact C-N 3.25Å; S252-F254 PolarHBondContact O-N 2.91Å; S252-G255 PolarHBondContact O-N 2.94Å; S252-G255 VanDerWaalsContact OG-CA 3.29Å; S252-G255 WeakPolarHBondContact OG-CA 2.92Å; S252-G255 PolarHBondContact OG-N 3.3Å; S252-G255 PolarHBondContact OG-O 2.93Å; S252-S258 WeakPolarHBondContact CB-O 3.41Å; S252-S258 PolarHBondContact OG-O 3.26Å
253	V	88.6	Confident	94.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.184	C	C	.	.	S	Bend	trans	-65.3	-30.5	174.3	72.9	0	0	0	0	111.9	N207 S235 R236 Y251 D260 Y294 Q313	N207-V253 WeakPolarHBondContact ND2-CG1 3.42Å; S235-V253 WeakPolarHBondContact CB-O 3.46Å; R236-V253 HydrophobicContact CB-CG2 4.4Å; R236-V253 WeakPolarHBondContact CB-O 3.25Å; R236-V253 PolarHBondContact N-O 3.38Å; Y251-V253 HydrophobicContact CE1-CB 4.41Å; V253-D260 VanDerWaalsContact CB-OD2 3.31Å; V253-D260 WeakPolarHBondContact CB-OD2 3.2Å; V253-D260 WeakPolarHBondContact CG1-OD2 3.46Å; V253-D260 PolarHBondContact N-OD1 2.92Å; V253-D260 PolarHBondContact N-OD2 2.84Å; V253-Y294 HydrophobicContact CG2-CD1 3.74Å; V253-Y294 HydrophobicContact CG2-CE1 3.95Å; V253-Y294 HydrophobicContact CG2-CG 4.34Å; V253-Q313 VanDerWaalsContact CG2-OE1 3.3Å
254	F	89	Confident	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-98.3	-6.4	-179.2	-56.3	-43.6	0	0	0	114.1	S208 R236 Y237 K239 S252 N291 Y294 H468	S208-F254 WeakPolarHBondContact OG-CD2 3.29Å; R236-F254 HydrophobicContact CB-CD1 4.34Å; Y237-F254 HydrophobicContact CD2-CB 4.02Å; Y237-F254 AromaticContact CD2-CD1 3.87Å; Y237-F254 HydrophobicContact CD2-CD1 3.87Å; Y237-F254 HydrophobicContact CD2-CG 4.32Å; Y237-F254 HydrophobicContact CE2-CB 4.12Å; Y237-F254 AromaticContact CE2-CD1 3.33Å; Y237-F254 HydrophobicContact CE2-CD1 3.33Å; Y237-F254 HydrophobicContact CE2-CE1 4.01Å; Y237-F254 AromaticContact CE2-CG 3.95Å; Y237-F254 HydrophobicContact CE2-CG 3.95Å; K239-F254 PolarHBondContact NZ-O 3.11Å; S252-F254 VanDerWaalsContact C-N 3.25Å; S252-F254 PolarHBondContact O-N 2.91Å; F254-N291 HydrophobicContact CZ-CB 4.41Å; F254-Y294 HydrophobicContact CZ-CD2 4.47Å; F254-H468 HydrophobicContact CB-CB 4.26Å; F254-H468 AromaticContact CD2-CE1 3.64Å; F254-H468 AromaticContact CD2-NE2 3.76Å
255	G	90.1	Very high	94.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.			trans	70.6	171.3	-175	0	0	0	0	0	113.7	S240 S252 S258	S240-G255 WeakPolarHBondContact O-CA 3.34Å; S252-G255 PolarHBondContact O-N 2.94Å; S252-G255 VanDerWaalsContact OG-CA 3.29Å; S252-G255 WeakPolarHBondContact OG-CA 2.92Å; S252-G255 PolarHBondContact OG-N 3.3Å; S252-G255 PolarHBondContact OG-O 2.93Å; G255-S258 WeakPolarHBondContact O-CB 3.09Å; G255-S258 PolarHBondContact O-N 3.2Å
256	S	93.2	Very high	94.4	Very high	58 Å²	58	40 Å²	40	41%	0.406	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	141.5	179.7	-173	0	0	0	0	112.3	K239	K239-S256 PolarHBondContact NZ-O 3.31Å
257	P	95.6	Very high	94.7	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.039	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.8	24.3	3.7	39.9	-37.9	0	0	0	114.3	H164 M166 L169 I211	H164-P257 HydrophobicContact CB-CG 4.04Å; M166-P257 VanDerWaalsContact CE-CD 3.45Å; M166-P257 HydrophobicContact CE-CG 3.95Å; M166-P257 HydrophobicContact SD-CG 4.2Å; L169-P257 HydrophobicContact CD1-CG 3.7Å; L169-P257 HydrophobicContact CD2-CG 4.12Å; I211-P257 HydrophobicContact CD1-CB 3.86Å; I211-P257 HydrophobicContact CG1-CB 3.97Å; I211-P257 WeakPolarHBondContact CG2-O 3.34Å; I211-P257 PolarHBondContact N-O 3.44Å
258	S	95.6	Very high	95.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.9	171	-57.6	0	0	0	0	110.5	L169 V209 S252 G255 H468	L169-S258 WeakPolarHBondContact CD2-OG 3.38Å; V209-S258 CarbonylContact O-C 3.58Å; V209-S258 WeakPolarHBondContact O-CA 3.3Å; S252-S258 WeakPolarHBondContact CB-O 3.41Å; S252-S258 PolarHBondContact OG-O 3.26Å; G255-S258 WeakPolarHBondContact O-CB 3.09Å; G255-S258 PolarHBondContact O-N 3.2Å; S258-H468 PolarHBondContact OG-CE1 3.37Å; S258-H468 PolarHBondContact OG-ND1 3.2Å
259	V	96.3	Very high	95.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	171.7	63.7	0	0	0	0	110.1	S208 V209 I211 I216 P223 V243 I245 Y250	S208-V259 CarbonylContact C-O 3.44Å; S208-V259 WeakPolarHBondContact CA-O 3.44Å; S208-V259 VanDerWaalsContact CB-O 3.28Å; S208-V259 WeakPolarHBondContact CB-O 3.22Å; V209-V259 HydrophobicContact CG2-CG1 3.87Å; V209-V259 PolarHBondContact N-O 2.75Å; V209-V259 PolarHBondContact O-N 3.4Å; I211-V259 HydrophobicContact CG2-CB 4.39Å; I211-V259 HydrophobicContact CG2-CG1 4.42Å; I216-V259 HydrophobicContact CD1-CG1 4Å; P223-V259 HydrophobicContact CB-CG2 3.6Å; V243-V259 HydrophobicContact CG1-CB 3.87Å; V243-V259 HydrophobicContact CG1-CG2 3.77Å; I245-V259 HydrophobicContact CD1-CB 4.02Å; I245-V259 HydrophobicContact CD1-CG1 3.9Å; I245-V259 HydrophobicContact CD1-CG2 3.91Å; Y250-V259 HydrophobicContact CG-CG2 4.25Å
260	D	96	Very high	95.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	142.8	-178.6	-68.5	10.6	0	0	0	110.3	N207 S208 P223 K224 Y251 V253	N207-D260 VanDerWaalsContact ND2-CG 3.32Å; N207-D260 PolarHBondContact ND2-OD1 2.75Å; N207-D260 PolarHBondContact ND2-OD2 3.4Å; N207-D260 CarbonylContact O-C 3.55Å; N207-D260 WeakPolarHBondContact O-CA 2.88Å; S208-D260 WeakPolarHBondContact CB-OD1 3.44Å; P223-D260 CarbonylContact C-O 3.56Å; P223-D260 WeakPolarHBondContact CA-O 3.38Å; K224-D260 HydrophobicContact CB-CB 4.33Å; K224-D260 PolarHBondContact N-O 3.16Å; Y251-D260 HydrophobicContact CD1-CB 4.07Å; Y251-D260 HydrophobicContact CE1-CB 4.47Å; Y251-D260 VanDerWaalsContact CE1-OD2 3.22Å; Y251-D260 WeakPolarHBondContact CE1-OD2 3.34Å; Y251-D260 PolarHBondContact O-N 3.28Å; Y251-D260 VanDerWaalsContact O-N 3.09Å; V253-D260 VanDerWaalsContact CB-OD2 3.31Å; V253-D260 WeakPolarHBondContact CB-OD2 3.2Å; V253-D260 WeakPolarHBondContact CG1-OD2 3.46Å; V253-D260 PolarHBondContact N-OD1 2.92Å; V253-D260 PolarHBondContact N-OD2 2.84Å
261	L	97.5	Very high	95.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-84.7	139.8	179.4	-63.1	-177.5	0	0	0	110.2	N207 V209 W215 I221 L263 T268 I272	N207-L261 PolarHBondContact O-N 3.41Å; V209-L261 HydrophobicContact CG1-CD1 4.14Å; V209-L261 HydrophobicContact CG1-CD2 4.31Å; V209-L261 HydrophobicContact CG1-CG 4.4Å; V209-L261 HydrophobicContact CG2-CD2 3.85Å; W215-L261 HydrophobicContact CZ3-CD1 4.09Å; I221-L261 HydrophobicContact CB-CD2 4.31Å; I221-L261 HydrophobicContact CD1-CD2 3.39Å; I221-L261 HydrophobicContact CG1-CD2 3.79Å; L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD2 3.84Å; L261-L263 HydrophobicContact CB-CG 4.35Å; L261-L263 HydrophobicContact CD1-CD2 4.36Å; L261-L263 PolarHBondContact O-N 2.89Å; L261-T268 HydrophobicContact CB-CG2 3.87Å; L261-T268 HydrophobicContact CD1-CG2 4.22Å; L261-T268 HydrophobicContact CG-CG2 4.48Å; L261-I272 HydrophobicContact CD1-CD1 4.24Å
262	D	96.3	Very high	95.7	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.102	13%	0.13	C	C	.	.			trans	-74.4	87.1	166.5	-176	-4.6	0	0	0	108.9	K222 T264 D265 T268	K222-D262 HydrophobicContact CB-CB 4.37Å; K222-D262 HydrophobicContact CD-CB 4.46Å; K222-D262 HydrophobicContact CG-CB 4.38Å; K222-D262 IonicContact NZ-OD2 3.44Å; K222-D262 PolarHBondContact NZ-OD2 3.15Å; K222-D262 WeakPolarHBondContact O-CB 3.39Å; K222-D262 PolarHBondContact O-N 3.01Å; D262-T264 PolarHBondContact O-N 3.29Å; D262-T264 VanDerWaalsContact O-N 3.1Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3Å; D262-D265 HydrophobicContact CB-CB 4.22Å; D262-D265 VanDerWaalsContact O-CB 3.29Å; D262-D265 WeakPolarHBondContact O-CB 3.42Å; D262-D265 PolarHBondContact O-N 2.77Å; D262-D265 PolarHBondContact OD1-N 3.1Å; D262-T268 WeakPolarHBondContact O-CB 3.3Å; D262-T268 PolarHBondContact O-OG1 3.04Å
263	L	97.3	Very high	96	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-2.1	-179.7	-64.7	-169.4	0	0	0	113.6	L261 T268 Q269 I272 F295 V296 F325	L261-L263 VanDerWaalsContact C-N 3.3Å; L261-L263 HydrophobicContact CB-CD2 3.84Å; L261-L263 HydrophobicContact CB-CG 4.35Å; L261-L263 HydrophobicContact CD1-CD2 4.36Å; L261-L263 PolarHBondContact O-N 2.89Å; L263-T268 HydrophobicContact CD2-CG2 3.82Å; L263-Q269 WeakPolarHBondContact O-CG 3.12Å; L263-Q269 PolarHBondContact O-NE2 2.97Å; L263-I272 HydrophobicContact CD2-CD1 3.32Å; L263-F295 WeakPolarHBondContact CB-O 3.43Å; L263-F295 HydrophobicContact CD1-CB 3.55Å; L263-F295 HydrophobicContact CD1-CD1 4.05Å; L263-F295 HydrophobicContact CD1-CD2 4.43Å; L263-F295 HydrophobicContact CD1-CG 3.77Å; L263-F295 WeakPolarHBondContact CD1-O 3.49Å; L263-F295 WeakPolarHBondContact CG-O 3.19Å; L263-V296 HydrophobicContact CB-CG2 3.99Å; L263-F325 HydrophobicContact CB-CD2 4.06Å; L263-F325 HydrophobicContact CB-CE2 4.38Å; L263-F325 HydrophobicContact CB-CG 4.26Å; L263-F325 HydrophobicContact CD1-CD1 3.82Å; L263-F325 HydrophobicContact CD1-CD2 4.37Å; L263-F325 HydrophobicContact CD1-CE1 3.69Å; L263-F325 HydrophobicContact CD1-CE2 4.27Å; L263-F325 HydrophobicContact CD1-CG 4.15Å; L263-F325 HydrophobicContact CD1-CZ 3.93Å; L263-F325 HydrophobicContact CD2-CE2 4Å; L263-F325 HydrophobicContact CD2-CZ 4.07Å; L263-F325 HydrophobicContact CG-CE2 4.47Å
264	T	95.4	Very high	96.4	Very high	86 Å²	86	27.6 Å²	27.6	53%	0.528	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-24.7	169.2	76.7	0	0	0	0	112.3	D262 Q269 V296	D262-T264 PolarHBondContact O-N 3.29Å; D262-T264 VanDerWaalsContact O-N 3.1Å; D262-T264 WeakPolarHBondContact OD1-CB 3.35Å; D262-T264 PolarHBondContact OD1-N 2.87Å; D262-T264 VanDerWaalsContact OD1-N 3.11Å; D262-T264 PolarHBondContact OD1-OG1 3Å; T264-Q269 PolarHBondContact O-NE2 2.82Å; T264-V296 HydrophobicContact CG2-CG1 3.83Å
265	D	97.3	Very high	96.9	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	16%	0.155	C	C	.	.	S	Bend	trans	-67.5	139.8	178.7	-176.5	78.4	0	0	0	112.2	K222 D262 N267 T268 Q269	K222-D265 HydrophobicContact CB-CB 4.08Å; K222-D265 HydrophobicContact CD-CB 4.2Å; D262-D265 HydrophobicContact CB-CB 4.22Å; D262-D265 VanDerWaalsContact O-CB 3.29Å; D262-D265 WeakPolarHBondContact O-CB 3.42Å; D262-D265 PolarHBondContact O-N 2.77Å; D262-D265 PolarHBondContact OD1-N 3.1Å; D265-N267 WeakPolarHBondContact OD2-CA 3.5Å; D265-N267 VanDerWaalsContact OD2-CB 3.32Å; D265-N267 WeakPolarHBondContact OD2-CB 3.43Å; D265-N267 PolarHBondContact OD2-N 3.38Å; D265-T268 PolarHBondContact OD2-N 2.68Å; D265-Q269 VanDerWaalsContact O-CG 3.29Å; D265-Q269 WeakPolarHBondContact O-CG 3.46Å; D265-Q269 PolarHBondContact O-N 3.3Å; D265-Q269 VanDerWaalsContact O-N 3.11Å
266	I	97.7	Very high	97.3	Very high	94 Å²	94	27.7 Å²	27.7	48%	0.482	16%	0.155	S	C	.	.	H	α-helix	trans	-74.7	-33.5	-174.9	-169.3	58.9	0	0	0	112.7	Q269 N270	I266-Q269 PolarHBondContact O-N 3.38Å; I266-N270 WeakPolarHBondContact O-CB 3.33Å; I266-N270 PolarHBondContact O-N 3.41Å; I266-N270 PolarHBondContact O-ND2 3.44Å
267	N	98	Very high	97.5	Very high	93 Å²	93	26.1 Å²	26.1	50%	0.497	14%	0.142	S	C	.	.	H	α-helix	trans	-71.6	-42.8	178.8	-63.5	-29.3	0	0	0	109.9	D265 Q269 N270 A271	D265-N267 WeakPolarHBondContact OD2-CA 3.5Å; D265-N267 VanDerWaalsContact OD2-CB 3.32Å; D265-N267 WeakPolarHBondContact OD2-CB 3.43Å; D265-N267 PolarHBondContact OD2-N 3.38Å; N267-Q269 PolarHBondContact O-N 2.99Å; N267-N270 PolarHBondContact O-N 2.76Å; N267-A271 PolarHBondContact O-N 2.84Å
268	T	98.4	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-48.6	171.6	-58	0	0	0	0	111.9	I221 K222 L261 D262 L263 D265 A271 I272	I221-T268 HydrophobicContact CB-CG2 4.39Å; I221-T268 HydrophobicContact CG2-CG2 4.49Å; K222-T268 PolarHBondContact N-OG1 2.8Å; K222-T268 PolarHBondContact O-OG1 3.33Å; L261-T268 HydrophobicContact CB-CG2 3.87Å; L261-T268 HydrophobicContact CD1-CG2 4.22Å; L261-T268 HydrophobicContact CG-CG2 4.48Å; D262-T268 WeakPolarHBondContact O-CB 3.3Å; D262-T268 PolarHBondContact O-OG1 3.04Å; L263-T268 HydrophobicContact CD2-CG2 3.82Å; D265-T268 PolarHBondContact OD2-N 2.68Å; T268-A271 PolarHBondContact O-N 2.87Å; T268-I272 HydrophobicContact CG2-CD1 4.13Å; T268-I272 WeakPolarHBondContact O-CG1 3.23Å; T268-I272 PolarHBondContact O-N 3.22Å; T268-I272 VanDerWaalsContact O-N 3.13Å
269	Q	98.5	Very high	97.8	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.023	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-45.7	177.5	-76	167.6	20.9	0	0	112.3	L263 T264 D265 I266 N267 A271 I272 F273 F325 K328	L263-Q269 WeakPolarHBondContact O-CG 3.12Å; L263-Q269 PolarHBondContact O-NE2 2.97Å; T264-Q269 PolarHBondContact O-NE2 2.82Å; D265-Q269 VanDerWaalsContact O-CG 3.29Å; D265-Q269 WeakPolarHBondContact O-CG 3.46Å; D265-Q269 PolarHBondContact O-N 3.3Å; D265-Q269 VanDerWaalsContact O-N 3.11Å; I266-Q269 PolarHBondContact O-N 3.38Å; N267-Q269 PolarHBondContact O-N 2.99Å; Q269-A271 VanDerWaalsContact C-N 3.34Å; Q269-A271 PolarHBondContact O-N 2.74Å; Q269-I272 PolarHBondContact O-N 3.26Å; Q269-F273 HydrophobicContact CB-CE2 3.86Å; Q269-F273 HydrophobicContact CB-CZ 3.81Å; Q269-F273 HydrophobicContact CG-CZ 4.33Å; Q269-F273 WeakPolarHBondContact O-CD1 3.45Å; Q269-F273 VanDerWaalsContact O-CD2 3.32Å; Q269-F273 WeakPolarHBondContact O-CD2 3.34Å; Q269-F273 WeakPolarHBondContact O-CG 3.22Å; Q269-F273 PolarHBondContact O-N 3.02Å; Q269-F325 HydrophobicContact CG-CD2 4.14Å; Q269-F325 HydrophobicContact CG-CE2 4.24Å; Q269-K328 VanDerWaalsContact CD-NZ 3.27Å; Q269-K328 VanDerWaalsContact NE2-NZ 3.11Å
270	N	98.5	Very high	97.9	Very high	72 Å²	72	28.7 Å²	28.7	39%	0.385	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-42.3	179.1	-71.7	-25.3	0	0	0	111.9	I266 N267 I272 F273 D274	I266-N270 WeakPolarHBondContact O-CB 3.33Å; I266-N270 PolarHBondContact O-N 3.41Å; I266-N270 PolarHBondContact O-ND2 3.44Å; N267-N270 PolarHBondContact O-N 2.76Å; N270-I272 VanDerWaalsContact C-N 3.3Å; N270-I272 PolarHBondContact O-N 3.37Å; N270-F273 PolarHBondContact O-N 3.47Å; N270-F273 VanDerWaalsContact O-N 3.15Å; N270-D274 PolarHBondContact O-N 3.13Å
271	A	98.5	Very high	97.9	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-39.9	175.9	0	0	0	0	0	112	W215 I221 N267 T268 Q269 D274 V275	W215-A271 HydrophobicContact CD2-CB 4.42Å; W215-A271 HydrophobicContact CH2-CB 4.27Å; W215-A271 HydrophobicContact CZ2-CB 3.95Å; I221-A271 HydrophobicContact CG2-CB 3.71Å; N267-A271 PolarHBondContact O-N 2.84Å; T268-A271 PolarHBondContact O-N 2.87Å; Q269-A271 VanDerWaalsContact C-N 3.34Å; Q269-A271 PolarHBondContact O-N 2.74Å; A271-D274 PolarHBondContact O-N 2.97Å; A271-V275 PolarHBondContact O-N 3.16Å
272	I	98.6	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-39.8	174.7	-68.1	163.5	0	0	0	111.3	F206 W215 L261 L263 T268 Q269 N270 D274 V275 V276 F325	F206-I272 HydrophobicContact CB-CD1 4.06Å; F206-I272 HydrophobicContact CD1-CD1 4.48Å; F206-I272 HydrophobicContact CD1-CG1 4.07Å; F206-I272 HydrophobicContact CD1-CG2 4.01Å; F206-I272 HydrophobicContact CD2-CG2 3.64Å; F206-I272 HydrophobicContact CE1-CG2 3.98Å; F206-I272 HydrophobicContact CE2-CG2 3.61Å; F206-I272 HydrophobicContact CG-CD1 4.28Å; F206-I272 HydrophobicContact CG-CG1 4.28Å; F206-I272 HydrophobicContact CG-CG2 3.86Å; F206-I272 HydrophobicContact CZ-CG2 3.79Å; W215-I272 HydrophobicContact CH2-CG1 4.03Å; W215-I272 HydrophobicContact CZ3-CG1 4.24Å; L261-I272 HydrophobicContact CD1-CD1 4.24Å; L263-I272 HydrophobicContact CD2-CD1 3.32Å; T268-I272 HydrophobicContact CG2-CD1 4.13Å; T268-I272 WeakPolarHBondContact O-CG1 3.23Å; T268-I272 PolarHBondContact O-N 3.22Å; T268-I272 VanDerWaalsContact O-N 3.13Å; Q269-I272 PolarHBondContact O-N 3.26Å; N270-I272 VanDerWaalsContact C-N 3.3Å; N270-I272 PolarHBondContact O-N 3.37Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 3.07Å; I272-V275 WeakPolarHBondContact O-CB 3.31Å; I272-V275 PolarHBondContact O-N 3.45Å; I272-V275 VanDerWaalsContact O-N 3.17Å; I272-V276 HydrophobicContact CG2-CG2 4.45Å; I272-V276 WeakPolarHBondContact O-CG2 3.26Å; I272-V276 PolarHBondContact O-N 2.85Å; I272-F325 HydrophobicContact CD1-CE2 4.01Å; I272-F325 HydrophobicContact CD1-CZ 3.85Å; I272-F325 HydrophobicContact CG2-CZ 4.11Å
273	F	98.7	Very high	98	Very high	16 Å²	16	39.2 Å²	39.2	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-36.7	177.2	-58.2	-23.8	0	0	0	111.5	Q269 N270 V275 V276 H277 K328 V329 E332	Q269-F273 HydrophobicContact CB-CE2 3.86Å; Q269-F273 HydrophobicContact CB-CZ 3.81Å; Q269-F273 HydrophobicContact CG-CZ 4.33Å; Q269-F273 WeakPolarHBondContact O-CD1 3.45Å; Q269-F273 VanDerWaalsContact O-CD2 3.32Å; Q269-F273 WeakPolarHBondContact O-CD2 3.34Å; Q269-F273 WeakPolarHBondContact O-CG 3.22Å; Q269-F273 PolarHBondContact O-N 3.02Å; N270-F273 PolarHBondContact O-N 3.47Å; N270-F273 VanDerWaalsContact O-N 3.15Å; F273-V275 VanDerWaalsContact C-N 3.31Å; F273-V275 PolarHBondContact O-N 3.34Å; F273-V276 PolarHBondContact O-N 3.31Å; F273-H277 WeakPolarHBondContact O-CB 3.49Å; F273-H277 PolarHBondContact O-CD2 3.2Å; F273-H277 VanDerWaalsContact O-CG 3.3Å; F273-H277 PolarHBondContact O-N 2.9Å; F273-K328 HydrophobicContact CE1-CB 4.2Å; F273-K328 HydrophobicContact CZ-CB 3.62Å; F273-K328 HydrophobicContact CZ-CD 4.34Å; F273-V329 HydrophobicContact CE1-CG2 4.01Å; F273-E332 HydrophobicContact CB-CG 4.18Å; F273-E332 HydrophobicContact CD1-CG 3.96Å; F273-E332 HydrophobicContact CD2-CG 3.96Å; F273-E332 HydrophobicContact CE1-CG 4.38Å; F273-E332 HydrophobicContact CE2-CG 4.37Å; F273-E332 HydrophobicContact CG-CG 3.76Å
274	D	98.5	Very high	98.1	Very high	86 Å²	86	39 Å²	39	46%	0.46	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-42	172.9	-72.9	-25.2	0	0	0	111.7	N270 A271 I272 H277 Y278	N270-D274 PolarHBondContact O-N 3.13Å; A271-D274 PolarHBondContact O-N 2.97Å; I272-D274 VanDerWaalsContact C-N 3.29Å; I272-D274 PolarHBondContact O-N 3.07Å; D274-H277 PolarHBondContact O-N 3.37Å; D274-Y278 VanDerWaalsContact O-CB 3.31Å; D274-Y278 WeakPolarHBondContact O-CB 3.04Å; D274-Y278 PolarHBondContact O-N 2.88Å
275	V	98.6	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-48.7	173.1	173.6	0	0	0	0	111.3	Y173 E174 F204 F206 W215 A271 I272 F273 H277 Y278 W279	Y173-V275 HydrophobicContact CD2-CG2 4.46Å; Y173-V275 HydrophobicContact CG-CG1 4.36Å; Y173-V275 HydrophobicContact CG-CG2 4.29Å; E174-V275 HydrophobicContact CG-CG2 4.18Å; F204-V275 HydrophobicContact CD1-CG1 4.49Å; F204-V275 HydrophobicContact CE1-CG1 4.19Å; F206-V275 HydrophobicContact CE1-CG1 4.13Å; F206-V275 HydrophobicContact CZ-CG1 4.09Å; W215-V275 HydrophobicContact CH2-CG2 3.95Å; W215-V275 HydrophobicContact CZ2-CG2 3.61Å; A271-V275 PolarHBondContact O-N 3.16Å; I272-V275 WeakPolarHBondContact O-CB 3.31Å; I272-V275 PolarHBondContact O-N 3.45Å; I272-V275 VanDerWaalsContact O-N 3.17Å; F273-V275 VanDerWaalsContact C-N 3.31Å; F273-V275 PolarHBondContact O-N 3.34Å; V275-H277 VanDerWaalsContact C-N 3.3Å; V275-H277 PolarHBondContact O-N 3.01Å; V275-Y278 WeakPolarHBondContact O-CB 3.39Å; V275-Y278 PolarHBondContact O-N 2.99Å; V275-W279 VanDerWaalsContact O-CD1 3.27Å; V275-W279 PolarHBondContact O-N 3.31Å
276	V	98.6	Very high	98.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-45.7	178.3	170.1	0	0	0	0	110.2	F206 I272 F273 M280 I287 V329 I333	F206-V276 HydrophobicContact CE2-CG2 4.3Å; F206-V276 HydrophobicContact CZ-CG2 4.39Å; I272-V276 HydrophobicContact CG2-CG2 4.45Å; I272-V276 WeakPolarHBondContact O-CG2 3.26Å; I272-V276 PolarHBondContact O-N 2.85Å; F273-V276 PolarHBondContact O-N 3.31Å; V276-M280 HydrophobicContact CG1-CE 3.77Å; V276-M280 HydrophobicContact CG1-SD 4.33Å; V276-M280 WeakPolarHBondContact O-CB 3.29Å; V276-M280 VanDerWaalsContact O-CG 3.28Å; V276-M280 WeakPolarHBondContact O-CG 3.05Å; V276-M280 PolarHBondContact O-N 3.35Å; V276-I287 HydrophobicContact CB-CD1 4.23Å; V276-I287 HydrophobicContact CG1-CD1 3.82Å; V276-I287 HydrophobicContact CG2-CD1 4.02Å; V276-V329 HydrophobicContact CG2-CG1 4.36Å; V276-I333 HydrophobicContact CG1-CG1 3.98Å
277	H	98.1	Very high	98.3	Very high	26 Å²	26	29.3 Å²	29.3	12%	0.12	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-41.6	177.1	-71.4	-48.6	0	0	0	112.7	F273 D274 V275 M280 R281 E332	F273-H277 WeakPolarHBondContact O-CB 3.49Å; F273-H277 PolarHBondContact O-CD2 3.2Å; F273-H277 VanDerWaalsContact O-CG 3.3Å; F273-H277 PolarHBondContact O-N 2.9Å; D274-H277 PolarHBondContact O-N 3.37Å; V275-H277 VanDerWaalsContact C-N 3.3Å; V275-H277 PolarHBondContact O-N 3.01Å; H277-M280 WeakPolarHBondContact ND1-CE 3.14Å; H277-M280 PolarHBondContact O-N 3.34Å; H277-R281 WeakPolarHBondContact O-CB 3.47Å; H277-R281 VanDerWaalsContact O-CG 3.22Å; H277-R281 WeakPolarHBondContact O-CG 3.42Å; H277-R281 PolarHBondContact O-N 2.83Å; H277-E332 IonicContact CE1-OE2 3.13Å; H277-E332 PolarHBondContact CE1-OE2 3.09Å; H277-E332 IonicContact NE2-OE2 2.68Å; H277-E332 PolarHBondContact NE2-OE2 2.85Å
278	Y	98.5	Very high	98.4	Very high	58 Å²	58	25 Å²	25	23%	0.227	12%	0.119	C	C	.	.	H	α-helix	trans	-57	-53.9	177.8	173.4	-98.7	0	0	0	111	E174 D274 V275 M280 R281 E282	E174-Y278 HydrophobicContact CB-CD1 4.31Å; E174-Y278 HydrophobicContact CB-CE1 4.22Å; E174-Y278 HydrophobicContact CG-CD1 4.33Å; E174-Y278 HydrophobicContact CG-CG 4.36Å; E174-Y278 WeakPolarHBondContact O-CE1 3.36Å; E174-Y278 PolarHBondContact O-OH 3.07Å; E174-Y278 VanDerWaalsContact O-OH 3.1Å; D274-Y278 VanDerWaalsContact O-CB 3.31Å; D274-Y278 WeakPolarHBondContact O-CB 3.04Å; D274-Y278 PolarHBondContact O-N 2.88Å; V275-Y278 WeakPolarHBondContact O-CB 3.39Å; V275-Y278 PolarHBondContact O-N 2.99Å; Y278-M280 PolarHBondContact O-N 3.08Å; Y278-R281 WeakPolarHBondContact O-CB 3.21Å; Y278-R281 PolarHBondContact O-N 3.21Å; Y278-R281 VanDerWaalsContact O-N 3.12Å; Y278-E282 HydrophobicContact CE1-CG 4.17Å; Y278-E282 PolarHBondContact O-N 3.34Å
279	W	98.5	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-34.5	-177.8	-71.9	104.3	0	0	0	113.2	T156 Y173 L176 I183 F186 L202 F204 V275 R281 E282 G283 I284	T156-W279 HydrophobicContact CG2-CZ2 4.27Å; Y173-W279 PolarHBondContact O-NE1 3.15Å; L176-W279 HydrophobicContact CD2-CH2 3.62Å; L176-W279 HydrophobicContact CD2-CZ2 4.32Å; L176-W279 HydrophobicContact CG-CH2 4.08Å; I183-W279 HydrophobicContact CD1-CH2 4.45Å; I183-W279 HydrophobicContact CD1-CZ3 4.38Å; F186-W279 AromaticContact CD1-CZ3 3.73Å; F186-W279 HydrophobicContact CD1-CZ3 3.73Å; F186-W279 AromaticContact CE1-CE3 3.82Å; F186-W279 HydrophobicContact CE1-CE3 3.82Å; F186-W279 AromaticContact CE1-CZ3 3.44Å; F186-W279 HydrophobicContact CE1-CZ3 3.44Å; F186-W279 VanDerWaalsContact CE1-CZ3 3.44Å; F186-W279 HydrophobicContact CE2-CZ3 4.43Å; F186-W279 HydrophobicContact CG-CZ3 4.32Å; F186-W279 HydrophobicContact CZ-CE3 4.14Å; F186-W279 AromaticContact CZ-CZ3 3.83Å; F186-W279 HydrophobicContact CZ-CZ3 3.83Å; L202-W279 HydrophobicContact CD1-CD2 3.63Å; L202-W279 HydrophobicContact CD1-CE3 3.35Å; L202-W279 HydrophobicContact CD1-CG 4.19Å; L202-W279 HydrophobicContact CD1-CH2 4.37Å; L202-W279 HydrophobicContact CD1-CZ3 3.76Å; F204-W279 AromaticContact CE1-CD1 3.8Å; F204-W279 AromaticContact CE1-NE1 3.6Å; F204-W279 HydrophobicContact CE2-CG 4.44Å; F204-W279 HydrophobicContact CZ-CB 4.4Å; F204-W279 AromaticContact CZ-CD1 3.29Å; F204-W279 HydrophobicContact CZ-CD2 4.11Å; F204-W279 AromaticContact CZ-CE2 3.99Å; F204-W279 AromaticContact CZ-CG 3.69Å; F204-W279 HydrophobicContact CZ-CG 3.69Å; F204-W279 AromaticContact CZ-NE1 3.47Å; V275-W279 VanDerWaalsContact O-CD1 3.27Å; V275-W279 PolarHBondContact O-N 3.31Å; W279-R281 VanDerWaalsContact C-N 3.29Å; W279-R281 PolarHBondContact O-N 3.17Å; W279-E282 HydrophobicContact CE3-CB 4.36Å; W279-E282 PolarHBondContact O-N 2.57Å; W279-G283 PolarHBondContact O-N 2.93Å; W279-G283 VanDerWaalsContact O-N 3.11Å; W279-I284 HydrophobicContact CB-CD1 3.61Å; W279-I284 HydrophobicContact CB-CG1 4.28Å; W279-I284 HydrophobicContact CB-CG2 4.42Å; W279-I284 HydrophobicContact CE3-CG2 4.34Å; W279-I284 WeakPolarHBondContact O-CG1 3.45Å; W279-I284 PolarHBondContact O-N 3.45Å
280	M	98.1	Very high	98.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-38.9	170.7	-75.9	-168.7	-55.7	0	0	111.8	V276 H277 Y278 G283 I333 W336 V344	V276-M280 HydrophobicContact CG1-CE 3.77Å; V276-M280 HydrophobicContact CG1-SD 4.33Å; V276-M280 WeakPolarHBondContact O-CB 3.29Å; V276-M280 VanDerWaalsContact O-CG 3.28Å; V276-M280 WeakPolarHBondContact O-CG 3.05Å; V276-M280 PolarHBondContact O-N 3.35Å; H277-M280 WeakPolarHBondContact ND1-CE 3.14Å; H277-M280 PolarHBondContact O-N 3.34Å; Y278-M280 PolarHBondContact O-N 3.08Å; M280-G283 PolarHBondContact O-N 3.26Å; M280-I333 HydrophobicContact SD-CB 4.39Å; M280-I333 HydrophobicContact SD-CG1 4.09Å; M280-I333 HydrophobicContact SD-CG2 4.16Å; M280-W336 HydrophobicContact CB-CD2 4.06Å; M280-W336 HydrophobicContact CB-CG 4.37Å; M280-W336 HydrophobicContact CB-CH2 4.45Å; M280-W336 HydrophobicContact CB-CZ2 3.92Å; M280-W336 HydrophobicContact CE-CB 3.55Å; M280-W336 HydrophobicContact CE-CD2 4.23Å; M280-W336 HydrophobicContact CE-CG 3.65Å; M280-W336 HydrophobicContact CG-CD2 4.36Å; M280-W336 WeakPolarHBondContact O-CZ2 3.37Å; M280-W336 HydrophobicContact SD-CB 3.84Å; M280-W336 HydrophobicContact SD-CD2 3.71Å; M280-W336 HydrophobicContact SD-CE3 3.89Å; M280-W336 HydrophobicContact SD-CG 3.74Å; M280-V344 HydrophobicContact SD-CG1 4.4Å; M280-V344 HydrophobicContact SD-CG2 4.25Å
281	R	97.4	Very high	98	Very high	184 Å²	184	21.4 Å²	21.4	69%	0.694	10%	0.099	S	C	*	.	H	α-helix	trans	-67.5	-37.2	174	-71	170	-166.9	155.9	6.7	112.5	H277 Y278 W279 G283	H277-R281 WeakPolarHBondContact O-CB 3.47Å; H277-R281 VanDerWaalsContact O-CG 3.22Å; H277-R281 WeakPolarHBondContact O-CG 3.42Å; H277-R281 PolarHBondContact O-N 2.83Å; Y278-R281 WeakPolarHBondContact O-CB 3.21Å; Y278-R281 PolarHBondContact O-N 3.21Å; Y278-R281 VanDerWaalsContact O-N 3.12Å; W279-R281 VanDerWaalsContact C-N 3.29Å; W279-R281 PolarHBondContact O-N 3.17Å; R281-G283 PolarHBondContact O-N 3.1Å
282	E	97.6	Very high	97.8	Very high	38 Å²	38	21 Å²	21	18%	0.178	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-23.6	172.6	-73.8	-61	140.5	0	0	112.5	I183 R187 L190 Y278 W279	I183-E282 HydrophobicContact CD1-CG 4.49Å; R187-E282 IonicContact CZ-OE1 2.76Å; R187-E282 IonicContact CZ-OE2 2.74Å; R187-E282 IonicContact NE-OE1 2.79Å; R187-E282 IonicContact NE-OE2 2.7Å; R187-E282 PolarHBondContact NE-OE2 2.88Å; R187-E282 IonicContact NH2-OE1 2.65Å; R187-E282 PolarHBondContact NH2-OE1 2.91Å; R187-E282 IonicContact NH2-OE2 2.77Å; R187-E282 PolarHBondContact NH2-OE2 2.88Å; L190-E282 VanDerWaalsContact CD1-O 3.26Å; L190-E282 WeakPolarHBondContact CD1-O 3.3Å; Y278-E282 HydrophobicContact CE1-CG 4.17Å; Y278-E282 PolarHBondContact O-N 3.34Å; W279-E282 HydrophobicContact CE3-CB 4.36Å; W279-E282 PolarHBondContact O-N 2.57Å
283	G	97.4	Very high	97.4	Very high	19 Å²	19	21 Å²	21	20%	0.196	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	112	19.5	166.7	0	0	0	0	0	115	H194 W279 M280 R281 K342	H194-G283 PolarHBondContact CE1-O 2.86Å; W279-G283 PolarHBondContact O-N 2.93Å; W279-G283 VanDerWaalsContact O-N 3.11Å; M280-G283 PolarHBondContact O-N 3.26Å; R281-G283 PolarHBondContact O-N 3.1Å; G283-K342 PolarHBondContact O-NZ 3.23Å
284	I	98.5	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.			trans	-58.9	160	172.2	71.2	175.3	0	0	0	111.6	F186 L202 W279 G286 I287 K342	F186-I284 HydrophobicContact CE1-CG2 4.23Å; F186-I284 HydrophobicContact CZ-CG2 3.83Å; L202-I284 HydrophobicContact CD1-CG2 3.76Å; L202-I284 HydrophobicContact CG-CG2 3.93Å; W279-I284 HydrophobicContact CB-CD1 3.61Å; W279-I284 HydrophobicContact CB-CG1 4.28Å; W279-I284 HydrophobicContact CB-CG2 4.42Å; W279-I284 HydrophobicContact CE3-CG2 4.34Å; W279-I284 WeakPolarHBondContact O-CG1 3.45Å; W279-I284 PolarHBondContact O-N 3.45Å; I284-G286 WeakPolarHBondContact CD1-O 3.32Å; I284-I287 HydrophobicContact CD1-CD1 4.15Å; I284-I287 HydrophobicContact CD1-CG1 3.61Å; I284-K342 WeakPolarHBondContact O-CE 3.46Å; I284-K342 PolarHBondContact O-NZ 2.66Å
285	D	98.5	Very high	96.8	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.032	7%	0.073	C	C	.	.	S	Bend	trans	-106.7	-4.7	-179.1	-57.8	-70.4	0	0	0	112.8	F106 H194 K199 V200 K342 V344 L345	F106-D285 HydrophobicContact CE1-CB 4.15Å; F106-D285 HydrophobicContact CZ-CB 4.11Å; H194-D285 IonicContact CD2-OD2 3.75Å; H194-D285 IonicContact CE1-OD2 3.75Å; H194-D285 IonicContact NE2-OD1 3.68Å; H194-D285 IonicContact NE2-OD2 2.76Å; H194-D285 PolarHBondContact NE2-OD2 3.45Å; K199-D285 VanDerWaalsContact CA-OD2 3.24Å; K199-D285 WeakPolarHBondContact CA-OD2 3.42Å; K199-D285 HydrophobicContact CB-CB 3.67Å; K199-D285 HydrophobicContact CD-CB 4.26Å; K199-D285 HydrophobicContact CG-CB 4.34Å; V200-D285 PolarHBondContact N-OD2 2.84Å; V200-D285 PolarHBondContact O-N 3.31Å; D285-K342 WeakPolarHBondContact OD1-CE 3.29Å; D285-K342 IonicContact OD1-NZ 2.76Å; D285-K342 PolarHBondContact OD1-NZ 2.85Å; D285-V344 WeakPolarHBondContact O-CA 3.3Å; D285-L345 PolarHBondContact O-N 3.38Å
286	G	98.6	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	166	178	0	0	0	0	0	114.3	V201 L202 I284 L345	V201-G286 VanDerWaalsContact CA-O 3.26Å; V201-G286 WeakPolarHBondContact CA-O 3.26Å; L202-G286 PolarHBondContact N-O 3.14Å; I284-G286 WeakPolarHBondContact CD1-O 3.32Å; G286-L345 CarbonylContact C-O 3.47Å; G286-L345 WeakPolarHBondContact CA-O 3.43Å
287	I	98.8	Very high	95.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.3	173.2	-68.9	171.7	0	0	0	108.4	L202 F204 V276 I284 L289 L345 L346 G347	L202-I287 CarbonylContact O-C 3.55Å; L202-I287 VanDerWaalsContact O-CA 3.32Å; L202-I287 WeakPolarHBondContact O-CA 3.43Å; F204-I287 HydrophobicContact CD2-CG1 4.26Å; F204-I287 HydrophobicContact CD2-CG2 3.82Å; F204-I287 HydrophobicContact CE2-CD1 4.43Å; F204-I287 HydrophobicContact CE2-CG1 4.1Å; V276-I287 HydrophobicContact CB-CD1 4.23Å; V276-I287 HydrophobicContact CG1-CD1 3.82Å; V276-I287 HydrophobicContact CG2-CD1 4.02Å; I284-I287 HydrophobicContact CD1-CD1 4.15Å; I284-I287 HydrophobicContact CD1-CG1 3.61Å; I287-L289 HydrophobicContact CG2-CD2 3.58Å; I287-L289 HydrophobicContact CG2-CG 4.12Å; I287-L345 PolarHBondContact N-O 2.88Å; I287-L346 HydrophobicContact CG2-CD1 4.49Å; I287-G347 PolarHBondContact O-N 3.01Å
288	L	98.8	Very high	94.2	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.3	163.4	179.9	68.5	0	0	0	108.1	W114 I151 V201 L202 T203 F204 D290 N349 I375	W114-L288 HydrophobicContact CD2-CD2 4.42Å; W114-L288 HydrophobicContact CE3-CD2 4.48Å; W114-L288 HydrophobicContact CH2-CD2 3.65Å; W114-L288 HydrophobicContact CZ2-CD2 3.57Å; W114-L288 HydrophobicContact CZ3-CD2 4.11Å; I151-L288 HydrophobicContact CG2-CB 4.13Å; I151-L288 HydrophobicContact CG2-CD2 3.69Å; V201-L288 HydrophobicContact CG1-CB 4.27Å; L202-L288 PolarHBondContact O-N 3.31Å; T203-L288 CarbonylContact C-O 3.08Å; T203-L288 VanDerWaalsContact CA-O 3.26Å; T203-L288 WeakPolarHBondContact CA-O 3.4Å; T203-L288 HydrophobicContact CG2-CB 4.49Å; T203-L288 HydrophobicContact CG2-CD2 4.27Å; T203-L288 HydrophobicContact CG2-CG 4.44Å; F204-L288 PolarHBondContact N-O 3.05Å; L288-D290 PolarHBondContact O-N 3.27Å; L288-N349 HydrophobicContact CD1-CB 4.23Å; L288-N349 HydrophobicContact CD2-CB 4.39Å; L288-N349 HydrophobicContact CG-CB 4.43Å; L288-I375 HydrophobicContact CD1-CG1 4.15Å
289	L	98.6	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.8	173	-61.6	-177.2	0	0	0	109	F204 F206 I287 F295 I326 V329 L346 G347 V348 N349	F204-L289 CarbonylContact O-C 3.51Å; F204-L289 WeakPolarHBondContact O-CA 3.42Å; F206-L289 HydrophobicContact CD2-CD2 3.64Å; F206-L289 HydrophobicContact CE2-CD2 3.58Å; I287-L289 HydrophobicContact CG2-CD2 3.58Å; I287-L289 HydrophobicContact CG2-CG 4.12Å; L289-F295 HydrophobicContact CB-CE2 3.96Å; L289-F295 HydrophobicContact CB-CZ 3.9Å; L289-F295 HydrophobicContact CD1-CE2 4.04Å; L289-I326 HydrophobicContact CD1-CG1 4Å; L289-I326 HydrophobicContact CD1-CG2 4.27Å; L289-V329 HydrophobicContact CD1-CG1 4.33Å; L289-L346 HydrophobicContact CD1-CD1 3.83Å; L289-L346 HydrophobicContact CG-CD1 3.9Å; L289-G347 PolarHBondContact N-O 3.27Å; L289-V348 HydrophobicContact CB-CG1 4.36Å; L289-V348 WeakPolarHBondContact O-CA 3.46Å; L289-N349 PolarHBondContact O-N 3.26Å
290	D	96.5	Very high	90.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	162.3	176.4	-151.2	-4.7	0	0	0	111.3	T203 F204 L288 A292 F295 N349 G351 S417	T203-D290 HydrophobicContact CG2-CB 3.63Å; F204-D290 PolarHBondContact O-N 2.64Å; L288-D290 PolarHBondContact O-N 3.27Å; D290-A292 PolarHBondContact O-N 3.15Å; D290-F295 WeakPolarHBondContact O-CE1 3.09Å; D290-F295 VanDerWaalsContact O-CZ 3.29Å; D290-F295 WeakPolarHBondContact O-CZ 2.87Å; D290-N349 PolarHBondContact OD1-ND2 3.04Å; D290-G351 WeakPolarHBondContact OD1-CA 3.41Å; D290-S417 PolarHBondContact OD2-OG 3.33Å; D290-S417 VanDerWaalsContact OD2-OG 3.04Å
291	N	93.1	Very high	87.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	53.4	26.2	-177.7	-70.1	-38.9	0	0	0	113.5	D205 N207 F254 A293 Y294 N349 G351 D352	D205-N291 VanDerWaalsContact CG-ND2 3.34Å; D205-N291 PolarHBondContact OD2-ND2 2.94Å; N207-N291 HydrophobicContact CB-CB 4.39Å; F254-N291 HydrophobicContact CZ-CB 4.41Å; N291-A293 PolarHBondContact O-N 3.44Å; N291-Y294 HydrophobicContact CB-CD2 4.01Å; N291-Y294 PolarHBondContact O-N 3.44Å; N291-N349 PolarHBondContact N-O 3Å; N291-G351 WeakPolarHBondContact OD1-CA 3.27Å; N291-D352 PolarHBondContact OD1-N 3.03Å
292	A	94.5	Very high	85.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	-176.4	0	0	0	0	0	113.4	D290 Y294 F295 I326 V348 N349 F367	D290-A292 PolarHBondContact O-N 3.15Å; A292-Y294 PolarHBondContact O-N 3.43Å; A292-F295 HydrophobicContact CB-CD2 4.19Å; A292-F295 HydrophobicContact CB-CE2 3.87Å; A292-F295 HydrophobicContact CB-CZ 4.11Å; A292-I326 HydrophobicContact CB-CD1 4.1Å; A292-V348 HydrophobicContact CB-CB 4.34Å; A292-N349 VanDerWaalsContact CB-O 3.3Å; A292-N349 WeakPolarHBondContact CB-O 3.48Å; A292-N349 PolarHBondContact N-O 3.44Å; A292-F367 HydrophobicContact CB-CE2 4.34Å; A292-F367 HydrophobicContact CB-CZ 4.46Å; A292-F367 WeakPolarHBondContact O-CZ 3.38Å
293	A	89.8	Confident	82.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.7	171.5	0	0	0	0	0	112.6	N291 T317 Y318 A350 T353	N291-A293 PolarHBondContact O-N 3.44Å; A293-T317 HydrophobicContact CB-CG2 4.48Å; A293-T317 CarbonylContact O-C 3.59Å; A293-T317 WeakPolarHBondContact O-CA 3.26Å; A293-Y318 HydrophobicContact CB-CD1 4.09Å; A293-Y318 HydrophobicContact CB-CD2 4.39Å; A293-Y318 HydrophobicContact CB-CE1 3.65Å; A293-Y318 HydrophobicContact CB-CE2 3.99Å; A293-Y318 HydrophobicContact CB-CG 4.43Å; A293-Y318 PolarHBondContact O-N 3.31Å; A293-A350 WeakPolarHBondContact CB-O 3.42Å; A293-T353 HydrophobicContact CB-CG2 3.29Å
294	Y	90.3	Very high	79.5	Confident	11 Å²	11	52 Å²	52	4%	0.043	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-15.4	-170.6	-58.2	-69.9	0	0	0	114.5	N207 V253 F254 N291 A292 V296 T317 D352 T353	N207-Y294 WeakPolarHBondContact OD1-CB 3.34Å; N207-Y294 PolarHBondContact OD1-O 3.04Å; V253-Y294 HydrophobicContact CG2-CD1 3.74Å; V253-Y294 HydrophobicContact CG2-CE1 3.95Å; V253-Y294 HydrophobicContact CG2-CG 4.34Å; F254-Y294 HydrophobicContact CZ-CD2 4.47Å; N291-Y294 HydrophobicContact CB-CD2 4.01Å; N291-Y294 PolarHBondContact O-N 3.44Å; A292-Y294 PolarHBondContact O-N 3.43Å; Y294-V296 VanDerWaalsContact C-N 3.32Å; Y294-V296 PolarHBondContact O-N 3.48Å; Y294-T317 HydrophobicContact CD1-CG2 3.61Å; Y294-T317 HydrophobicContact CE1-CG2 3.36Å; Y294-D352 PolarHBondContact OH-O 3.14Å; Y294-T353 HydrophobicContact CE2-CG2 3.87Å; Y294-T353 WeakPolarHBondContact OH-CA 3.35Å
295	F	93.4	Very high	76.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-47.4	-38.5	-166.9	-75.3	-5.5	0	0	0	118.1	F206 N207 L263 L289 D290 A292 F325 I326	F206-F295 HydrophobicContact CB-CE1 4.45Å; N207-F295 HydrophobicContact CB-CD1 3.99Å; N207-F295 HydrophobicContact CB-CE1 4.25Å; N207-F295 PolarHBondContact OD1-N 2.89Å; L263-F295 WeakPolarHBondContact CB-O 3.43Å; L263-F295 HydrophobicContact CD1-CB 3.55Å; L263-F295 HydrophobicContact CD1-CD1 4.05Å; L263-F295 HydrophobicContact CD1-CD2 4.43Å; L263-F295 HydrophobicContact CD1-CG 3.77Å; L263-F295 WeakPolarHBondContact CD1-O 3.49Å; L263-F295 WeakPolarHBondContact CG-O 3.19Å; L289-F295 HydrophobicContact CB-CE2 3.96Å; L289-F295 HydrophobicContact CB-CZ 3.9Å; L289-F295 HydrophobicContact CD1-CE2 4.04Å; D290-F295 WeakPolarHBondContact O-CE1 3.09Å; D290-F295 VanDerWaalsContact O-CZ 3.29Å; D290-F295 WeakPolarHBondContact O-CZ 2.87Å; A292-F295 HydrophobicContact CB-CD2 4.19Å; A292-F295 HydrophobicContact CB-CE2 3.87Å; A292-F295 HydrophobicContact CB-CZ 4.11Å; F295-F325 HydrophobicContact CB-CD1 4.35Å; F295-F325 AromaticContact CD2-CD1 3.54Å; F295-F325 HydrophobicContact CD2-CD1 3.54Å; F295-F325 AromaticContact CD2-CE1 3.72Å; F295-F325 HydrophobicContact CD2-CE1 3.72Å; F295-F325 HydrophobicContact CE2-CD1 4.09Å; F295-F325 AromaticContact CE2-CE1 3.86Å; F295-F325 HydrophobicContact CE2-CE1 3.86Å; F295-F325 HydrophobicContact CG-CD1 4.18Å; F295-F325 HydrophobicContact CG-CE1 4.33Å; F295-I326 HydrophobicContact CD2-CD1 4.05Å; F295-I326 HydrophobicContact CD2-CG1 3.96Å; F295-I326 HydrophobicContact CE2-CD1 4.11Å; F295-I326 HydrophobicContact CE2-CG1 4.05Å
296	V	91.1	Very high	73.4	Confident	13 Å²	13	68.9 Å²	68.9	8%	0.079	32%	0.321	C	S	.	.	S	Bend	trans	-135.9	114.3	174.7	-177.2	0	0	0	0	107.9	L263 T264 Y294 T319 G321 S322 F325	L263-V296 HydrophobicContact CB-CG2 3.99Å; T264-V296 HydrophobicContact CG2-CG1 3.83Å; Y294-V296 VanDerWaalsContact C-N 3.32Å; Y294-V296 PolarHBondContact O-N 3.48Å; V296-T319 WeakPolarHBondContact O-CB 3.38Å; V296-T319 WeakPolarHBondContact O-CG2 3.31Å; V296-T319 PolarHBondContact O-OG1 2.74Å; V296-G321 VanDerWaalsContact CG2-C 3.44Å; V296-S322 PolarHBondContact N-OG 2.98Å; V296-S322 VanDerWaalsContact N-OG 3.08Å; V296-F325 HydrophobicContact CG2-CB 4.36Å
297	E	80.1	Confident	70.4	Confident	23 Å²	23	76.2 Å²	76.2	11%	0.107	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-77.2	143.1	174.8	-45.9	81.4	177.5	0	0	109.7	K224 Y251 E316	K224-E297 IonicContact NZ-OE2 2.6Å; Y251-E297 HydrophobicContact CE1-CG 4Å; Y251-E297 VanDerWaalsContact CE1-OE1 3.31Å; Y251-E297 WeakPolarHBondContact CE1-OE1 3.49Å; E297-E316 HydrophobicContact CB-CB 4.29Å; E297-E316 HydrophobicContact CB-CG 4.46Å; E297-E316 HydrophobicContact CG-CB 4.37Å
298	Q	70.6	Confident	67.1	Low	94 Å²	94	82 Å²	82	44%	0.439	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-87.8	137.2	172.5	-171.5	169.9	-15.7	0	0	109.1	E300 T319	Q298-E300 PolarHBondContact O-N 2.87Å; Q298-T319 HydrophobicContact CB-CG2 3.96Å
299	E	61.4	Low	64.3	Low	174 Å²	174	92.2 Å²	92.2	81%	0.813	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-58.1	128.6	170.2	-67.9	-179.4	177.6	0	0	109.5	R301	E299-R301 PolarHBondContact O-N 2.79Å; E299-R301 VanDerWaalsContact O-N 3.1Å
300	E	53.4	Low	61.7	Low	93 Å²	93	96.5 Å²	96.5	44%	0.435	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-51.9	117.3	-174.7	-167.2	178.4	-153.5	0	0	109.6	K233 Q298 Q302	K233-E300 IonicContact NZ-OE1 2.79Å; Q298-E300 PolarHBondContact O-N 2.87Å; E300-Q302 PolarHBondContact O-N 2.83Å
301	R	44.6	Very low	59.6	Low	189 Å²	189	98.3 Å²	98.3	71%	0.713	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-74.3	117.9	158.2	-82.1	-170.2	-74.4	-138.8	-3.3	105.3	E299 E303	E299-R301 PolarHBondContact O-N 2.79Å; E299-R301 VanDerWaalsContact O-N 3.1Å; R301-E303 VanDerWaalsContact C-N 3.35Å; R301-E303 PolarHBondContact O-N 3.05Å
302	Q	40.7	Very low	57.4	Low	193 Å²	193	101.4 Å²	101.4	90%	0.902	50%	0.495	S	S	*	.			trans	-48.2	96.2	175.4	-68.5	-179.4	-6.6	0	0	110.5	E300	E300-Q302 PolarHBondContact O-N 2.83Å
303	E	39.8	Very low	55.3	Low	150 Å²	150	102 Å²	102	70%	0.701	50%	0.497	S	S	*	.			trans	-123.2	128	168.9	-113.9	-173.3	-163.9	0	0	111.3	R301 Q305	R301-E303 VanDerWaalsContact C-N 3.35Å; R301-E303 PolarHBondContact O-N 3.05Å; E303-Q305 PolarHBondContact O-N 3.35Å
304	T	38.2	Very low	53.5	Low	141 Å²	141	104.2 Å²	104.2	87%	0.865	52%	0.516	S	S	*	.			trans	-89	77.8	-173.9	29.3	0	0	0	0	109.4
305	Q	36	Very low	51.6	Low	136 Å²	136	109.2 Å²	109.2	64%	0.636	54%	0.54	S	S	*	.			trans	-138.3	109.7	159.9	-74.4	-164.9	-9.4	0	0	111.8	E303 K307	E303-Q305 PolarHBondContact O-N 3.35Å; Q305-K307 VanDerWaalsContact C-N 3.29Å; Q305-K307 HydrophobicContact CB-CG 4.46Å; Q305-K307 PolarHBondContact O-N 3.38Å; Q305-K307 VanDerWaalsContact OE1-CE 3.3Å
306	K	34	Very low	50.2	Low	225 Å²	225	110.8 Å²	110.8	98%	0.978	55%	0.547	S	S	*	.			trans	-54.6	90.8	160.3	-75.2	177.3	174.7	176.7	0	108.8
307	K	34.9	Very low	49.5	Very low	155 Å²	155	111 Å²	111	67%	0.674	55%	0.549	S	S	*	.			trans	-100.6	128.9	172.5	-86.4	176.9	-178.8	162.9	0	110.5	Q305	Q305-K307 VanDerWaalsContact C-N 3.29Å; Q305-K307 HydrophobicContact CB-CG 4.46Å; Q305-K307 PolarHBondContact O-N 3.38Å; Q305-K307 VanDerWaalsContact OE1-CE 3.3Å
308	V	30	Very low	49.6	Very low	121 Å²	121	110.9 Å²	110.9	73%	0.733	55%	0.547	S	S	*	.			trans	3.7	126.8	166.8	-173	0	0	0	0	116.9	S310	V308-S310 PolarHBondContact O-N 3.03Å
309	F	38.8	Very low	50.5	Low	217 Å²	217	106.9 Å²	106.9	95%	0.952	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	22.2	-175.4	-134.1	-90.5	0	0	0	117.5
310	S	43.9	Very low	51.8	Low	91 Å²	91	105.7 Å²	105.7	64%	0.636	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	8.3	179.5	78.4	0	0	0	0	115.5	V308 C355	V308-S310 PolarHBondContact O-N 3.03Å; S310-C355 PolarHBondContact O-SG 3.46Å
311	C	53.8	Low	53.8	Low	39 Å²	39	102.3 Å²	102.3	26%	0.264	51%	0.508	S	S	.	.			trans	-149.1	98.4	161.7	-150.5	0	0	0	0	115.4	Q313 C355	C311-Q313 VanDerWaalsContact C-N 3.26Å; C311-Q313 PolarHBondContact O-N 3Å; C311-C355 WeakPolarHBondContact CA-SG 3.21Å; C311-C355 HydrophobicContact CB-CB 3.12Å; C311-C355 WeakPolarHBondContact CB-SG 3.38Å; C311-C355 WeakPolarHBondContact SG-CB 3.12Å; C311-C355 CovalentContact SG-SG 2.01Å; C311-C355 PolarHBondContact SG-SG 3.42Å
312	P	46.1	Very low	56.2	Low	64 Å²	64	93.3 Å²	93.3	42%	0.416	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.5	-176.4	-18.5	31.2	0	0	0	115.2
313	Q	51	Low	58.8	Low	12 Å²	12	84.9 Å²	84.9	6%	0.056	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	19.6	-161.7	-58.2	-170.8	-66	0	0	116.1	Y251 V253 C311 E315 E316	Y251-Q313 PolarHBondContact OH-NE2 3.41Å; V253-Q313 VanDerWaalsContact CG2-OE1 3.3Å; C311-Q313 VanDerWaalsContact C-N 3.26Å; C311-Q313 PolarHBondContact O-N 3Å; Q313-E315 PolarHBondContact O-N 3.43Å; Q313-E315 VanDerWaalsContact O-N 3.14Å; Q313-E316 WeakPolarHBondContact CB-OE2 2.56Å; Q313-E316 VanDerWaalsContact CD-OE2 3.32Å; Q313-E316 WeakPolarHBondContact CG-OE2 3.36Å; Q313-E316 PolarHBondContact NE2-OE2 3.26Å; Q313-E316 PolarHBondContact O-N 2.59Å
314	A	50.9	Low	61.6	Low	48 Å²	48	82.6 Å²	82.6	40%	0.397	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32	-178.2	0	0	0	0	0	113.6	E316 T317	A314-E316 VanDerWaalsContact C-N 3.29Å; A314-E316 PolarHBondContact O-N 3Å; A314-T317 PolarHBondContact O-N 2.01Å; A314-T317 PolarHBondContact O-OG1 3.44Å
315	E	51.5	Low	64.4	Low	116 Å²	116	76 Å²	76	54%	0.542	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-73.7	-17.1	179.2	-67	177.4	-169.7	0	0	113.9	Q313	Q313-E315 PolarHBondContact O-N 3.43Å; Q313-E315 VanDerWaalsContact O-N 3.14Å
316	E	63.6	Low	67.4	Low	33 Å²	33	69.6 Å²	69.6	15%	0.154	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-90.8	-5.3	179.2	-66.4	169.4	177.8	0	0	112.1	Y251 E297 Q313 A314	Y251-E316 PolarHBondContact OH-OE2 3.15Å; E297-E316 HydrophobicContact CB-CB 4.29Å; E297-E316 HydrophobicContact CB-CG 4.46Å; E297-E316 HydrophobicContact CG-CB 4.37Å; Q313-E316 WeakPolarHBondContact CB-OE2 2.56Å; Q313-E316 VanDerWaalsContact CD-OE2 3.32Å; Q313-E316 WeakPolarHBondContact CG-OE2 3.36Å; Q313-E316 PolarHBondContact NE2-OE2 3.26Å; Q313-E316 PolarHBondContact O-N 2.59Å; A314-E316 VanDerWaalsContact C-N 3.29Å; A314-E316 PolarHBondContact O-N 3Å
317	T	77.1	Confident	70.5	Confident	18 Å²	18	63 Å²	63	11%	0.11	33%	0.326	C	S	.	.	S	Bend	trans	-100.1	152.7	-175.8	61.7	0	0	0	0	113.7	A293 Y294 A314 T319	A293-T317 HydrophobicContact CB-CG2 4.48Å; A293-T317 CarbonylContact O-C 3.59Å; A293-T317 WeakPolarHBondContact O-CA 3.26Å; Y294-T317 HydrophobicContact CD1-CG2 3.61Å; Y294-T317 HydrophobicContact CE1-CG2 3.36Å; A314-T317 PolarHBondContact O-N 2.01Å; A314-T317 PolarHBondContact O-OG1 3.44Å; T317-T319 PolarHBondContact O-N 3.36Å
318	Y	82.2	Confident	73.5	Confident	20 Å²	20	59.2 Å²	59.2	8%	0.078	31%	0.309	C	S	.	.	S	Bend	trans	58	43.8	175	-52.6	-79.9	0	0	0	114.2	A293 A350 T353 D356 P363 M364 I366 F367 R377	A293-Y318 HydrophobicContact CB-CD1 4.09Å; A293-Y318 HydrophobicContact CB-CD2 4.39Å; A293-Y318 HydrophobicContact CB-CE1 3.65Å; A293-Y318 HydrophobicContact CB-CE2 3.99Å; A293-Y318 HydrophobicContact CB-CG 4.43Å; A293-Y318 PolarHBondContact O-N 3.31Å; Y318-A350 HydrophobicContact CE1-CB 4.27Å; Y318-A350 VanDerWaalsContact OH-CB 3.3Å; Y318-A350 WeakPolarHBondContact OH-CB 3.32Å; Y318-T353 HydrophobicContact CE2-CG2 4.34Å; Y318-T353 WeakPolarHBondContact OH-CG2 3.3Å; Y318-T353 PolarHBondContact OH-OG1 3.14Å; Y318-T353 VanDerWaalsContact OH-OG1 3.14Å; Y318-D356 HydrophobicContact CE2-CB 4.47Å; Y318-P363 HydrophobicContact CD1-CB 3.69Å; Y318-P363 HydrophobicContact CD2-CB 3.56Å; Y318-P363 HydrophobicContact CD2-CG 4.27Å; Y318-P363 HydrophobicContact CE1-CB 3.86Å; Y318-P363 HydrophobicContact CE2-CB 3.75Å; Y318-P363 HydrophobicContact CE2-CG 4.18Å; Y318-P363 HydrophobicContact CG-CB 3.53Å; Y318-M364 HydrophobicContact CD1-SD 4.3Å; Y318-M364 HydrophobicContact CE1-CG 3.89Å; Y318-M364 HydrophobicContact CE1-SD 3.57Å; Y318-M364 VanDerWaalsContact CE1-SD 3.57Å; Y318-I366 WeakPolarHBondContact O-CD1 3.47Å; Y318-F367 HydrophobicContact CD1-CE2 4.01Å; Y318-R377 PolarHBondContact OH-NH1 3.43Å; Y318-R377 PolarHBondContact OH-NH2 3Å
319	T	87.8	Confident	76.7	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.055	27%	0.274	C	S	.	.			trans	-81.2	162	-176.7	81.4	0	0	0	0	112.5	V296 Q298 T317 G321 S322 V323	V296-T319 WeakPolarHBondContact O-CB 3.38Å; V296-T319 WeakPolarHBondContact O-CG2 3.31Å; V296-T319 PolarHBondContact O-OG1 2.74Å; Q298-T319 HydrophobicContact CB-CG2 3.96Å; T317-T319 PolarHBondContact O-N 3.36Å; T319-G321 PolarHBondContact O-N 2.91Å; T319-G321 PolarHBondContact OG1-N 3.24Å; T319-G321 VanDerWaalsContact OG1-N 3.17Å; T319-S322 WeakPolarHBondContact O-CB 3.26Å; T319-S322 PolarHBondContact O-N 2.69Å; T319-S322 PolarHBondContact OG1-N 2.86Å; T319-S322 PolarHBondContact OG1-OG 2.89Å; T319-V323 PolarHBondContact O-N 3.01Å
320	Y	90.5	Very high	79.6	Confident	150 Å²	150	44.3 Å²	44.3	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	-64.9	-24.8	170.9	-175.3	-121.8	0	0	0	112.6	V323 K324	Y320-V323 HydrophobicContact CD2-CB 4.28Å; Y320-V323 WeakPolarHBondContact O-CB 3.29Å; Y320-V323 PolarHBondContact O-N 3.38Å; Y320-K324 HydrophobicContact CE1-CD 4.21Å; Y320-K324 HydrophobicContact CE1-CG 4.25Å; Y320-K324 PolarHBondContact O-N 2.93Å; Y320-K324 VanDerWaalsContact O-N 3.07Å
321	G	93.6	Very high	82.2	Confident	22 Å²	22	44.9 Å²	44.9	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-45.2	171.8	0	0	0	0	0	111.5	V296 T319 V323 K324 F325	V296-G321 VanDerWaalsContact CG2-C 3.44Å; T319-G321 PolarHBondContact O-N 2.91Å; T319-G321 PolarHBondContact OG1-N 3.24Å; T319-G321 VanDerWaalsContact OG1-N 3.17Å; G321-V323 VanDerWaalsContact C-N 3.28Å; G321-V323 PolarHBondContact O-N 3.27Å; G321-K324 PolarHBondContact O-N 3.4Å; G321-K324 VanDerWaalsContact O-N 3.16Å; G321-F325 PolarHBondContact O-N 3.23Å
322	S	95	Very high	84.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-40.4	176.3	-53.8	0	0	0	0	111.2	V296 T319 F325 I326	V296-S322 PolarHBondContact N-OG 2.98Å; V296-S322 VanDerWaalsContact N-OG 3.08Å; T319-S322 WeakPolarHBondContact O-CB 3.26Å; T319-S322 PolarHBondContact O-N 2.69Å; T319-S322 PolarHBondContact OG1-N 2.86Å; T319-S322 PolarHBondContact OG1-OG 2.89Å; S322-F325 PolarHBondContact O-N 3.05Å; S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.32Å; S322-I326 PolarHBondContact O-N 2.71Å
323	V	96.4	Very high	86.8	Confident	15 Å²	15	41.8 Å²	41.8	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-46.7	176	-178.4	0	0	0	0	111.3	T319 Y320 G321 F325 I326 E327 I366 F367 V370	T319-V323 PolarHBondContact O-N 3.01Å; Y320-V323 HydrophobicContact CD2-CB 4.28Å; Y320-V323 WeakPolarHBondContact O-CB 3.29Å; Y320-V323 PolarHBondContact O-N 3.38Å; G321-V323 VanDerWaalsContact C-N 3.28Å; G321-V323 PolarHBondContact O-N 3.27Å; V323-F325 VanDerWaalsContact C-N 3.33Å; V323-F325 PolarHBondContact O-N 3.44Å; V323-I326 PolarHBondContact O-N 3.42Å; V323-E327 WeakPolarHBondContact O-CB 3.43Å; V323-E327 PolarHBondContact O-N 3.05Å; V323-I366 HydrophobicContact CG2-CB 4.39Å; V323-I366 HydrophobicContact CG2-CD1 3.73Å; V323-I366 HydrophobicContact CG2-CG1 3.65Å; V323-I366 HydrophobicContact CG2-CG2 4.14Å; V323-F367 HydrophobicContact CG2-CD1 3.86Å; V323-F367 HydrophobicContact CG2-CE1 3.89Å; V323-V370 HydrophobicContact CG1-CG1 4.01Å; V323-V370 HydrophobicContact CG1-CG2 4.26Å
324	K	97.4	Very high	89	Confident	103 Å²	103	44 Å²	44	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-38.9	178.1	-71.8	-171.6	-174.6	-177.4	0	112.5	Y320 G321 E327 K328	Y320-K324 HydrophobicContact CE1-CD 4.21Å; Y320-K324 HydrophobicContact CE1-CG 4.25Å; Y320-K324 PolarHBondContact O-N 2.93Å; Y320-K324 VanDerWaalsContact O-N 3.07Å; G321-K324 PolarHBondContact O-N 3.4Å; G321-K324 VanDerWaalsContact O-N 3.16Å; K324-E327 WeakPolarHBondContact O-CB 3.39Å; K324-E327 PolarHBondContact O-N 3.36Å; K324-K328 WeakPolarHBondContact O-CG 3.29Å; K324-K328 PolarHBondContact O-N 2.94Å; K324-K328 VanDerWaalsContact O-N 3.16Å
325	F	98	Very high	91.3	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-48.5	176.5	170.4	-105.1	0	0	0	110.9	F206 L263 Q269 I272 F295 V296 G321 S322 V323 E327 K328 V329	F206-F325 HydrophobicContact CB-CZ 4.4Å; L263-F325 HydrophobicContact CB-CD2 4.06Å; L263-F325 HydrophobicContact CB-CE2 4.38Å; L263-F325 HydrophobicContact CB-CG 4.26Å; L263-F325 HydrophobicContact CD1-CD1 3.82Å; L263-F325 HydrophobicContact CD1-CD2 4.37Å; L263-F325 HydrophobicContact CD1-CE1 3.69Å; L263-F325 HydrophobicContact CD1-CE2 4.27Å; L263-F325 HydrophobicContact CD1-CG 4.15Å; L263-F325 HydrophobicContact CD1-CZ 3.93Å; L263-F325 HydrophobicContact CD2-CE2 4Å; L263-F325 HydrophobicContact CD2-CZ 4.07Å; L263-F325 HydrophobicContact CG-CE2 4.47Å; Q269-F325 HydrophobicContact CG-CD2 4.14Å; Q269-F325 HydrophobicContact CG-CE2 4.24Å; I272-F325 HydrophobicContact CD1-CE2 4.01Å; I272-F325 HydrophobicContact CD1-CZ 3.85Å; I272-F325 HydrophobicContact CG2-CZ 4.11Å; F295-F325 HydrophobicContact CB-CD1 4.35Å; F295-F325 AromaticContact CD2-CD1 3.54Å; F295-F325 HydrophobicContact CD2-CD1 3.54Å; F295-F325 AromaticContact CD2-CE1 3.72Å; F295-F325 HydrophobicContact CD2-CE1 3.72Å; F295-F325 HydrophobicContact CE2-CD1 4.09Å; F295-F325 AromaticContact CE2-CE1 3.86Å; F295-F325 HydrophobicContact CE2-CE1 3.86Å; F295-F325 HydrophobicContact CG-CD1 4.18Å; F295-F325 HydrophobicContact CG-CE1 4.33Å; V296-F325 HydrophobicContact CG2-CB 4.36Å; G321-F325 PolarHBondContact O-N 3.23Å; S322-F325 PolarHBondContact O-N 3.05Å; V323-F325 VanDerWaalsContact C-N 3.33Å; V323-F325 PolarHBondContact O-N 3.44Å; F325-E327 VanDerWaalsContact C-N 3.29Å; F325-E327 PolarHBondContact O-N 3.4Å; F325-K328 WeakPolarHBondContact O-CB 3.45Å; F325-K328 PolarHBondContact O-N 3.17Å; F325-K328 VanDerWaalsContact O-N 3.09Å; F325-V329 HydrophobicContact CE1-CG2 4.19Å; F325-V329 HydrophobicContact CE2-CG2 4.37Å; F325-V329 HydrophobicContact CZ-CG2 4.02Å; F325-V329 PolarHBondContact O-N 2.7Å; F325-V329 VanDerWaalsContact O-N 3.11Å
326	I	98.4	Very high	93.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-34.2	177.9	-62.7	174.6	0	0	0	111.4	L289 A292 F295 S322 V323 K328 V329 R330 L346 V348 F367 V370	L289-I326 HydrophobicContact CD1-CG1 4Å; L289-I326 HydrophobicContact CD1-CG2 4.27Å; A292-I326 HydrophobicContact CB-CD1 4.1Å; F295-I326 HydrophobicContact CD2-CD1 4.05Å; F295-I326 HydrophobicContact CD2-CG1 3.96Å; F295-I326 HydrophobicContact CE2-CD1 4.11Å; F295-I326 HydrophobicContact CE2-CG1 4.05Å; S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.32Å; S322-I326 PolarHBondContact O-N 2.71Å; V323-I326 PolarHBondContact O-N 3.42Å; I326-K328 VanDerWaalsContact C-N 3.31Å; I326-K328 PolarHBondContact O-N 2.94Å; I326-V329 PolarHBondContact O-N 2.91Å; I326-R330 WeakPolarHBondContact O-CB 3.47Å; I326-R330 PolarHBondContact O-N 2.83Å; I326-L346 HydrophobicContact CG2-CD2 4.04Å; I326-V348 HydrophobicContact CD1-CG1 3.79Å; I326-V348 HydrophobicContact CG2-CG1 4.09Å; I326-F367 HydrophobicContact CD1-CD1 3.58Å; I326-F367 HydrophobicContact CD1-CE1 3.59Å; I326-F367 HydrophobicContact CD1-CG 4.2Å; I326-F367 HydrophobicContact CD1-CZ 4.21Å; I326-V370 HydrophobicContact CB-CG2 4.06Å; I326-V370 HydrophobicContact CG2-CB 4.17Å; I326-V370 HydrophobicContact CG2-CG2 3.63Å
327	E	98.5	Very high	95	Very high	87 Å²	87	44.9 Å²	44.9	41%	0.407	21%	0.208	S	C	.	.	H	α-helix	trans	-58.3	-41.9	172.1	-171.2	177.7	-153.3	0	0	111.8	V323 K324 F325 R330 Q331 V370	V323-E327 WeakPolarHBondContact O-CB 3.43Å; V323-E327 PolarHBondContact O-N 3.05Å; K324-E327 WeakPolarHBondContact O-CB 3.39Å; K324-E327 PolarHBondContact O-N 3.36Å; F325-E327 VanDerWaalsContact C-N 3.29Å; F325-E327 PolarHBondContact O-N 3.4Å; E327-R330 WeakPolarHBondContact O-CB 3.46Å; E327-R330 PolarHBondContact O-N 3.32Å; E327-Q331 VanDerWaalsContact O-CG 3.29Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 3.43Å; E327-V370 HydrophobicContact CB-CB 4.47Å; E327-V370 HydrophobicContact CB-CG1 3.74Å; E327-V370 HydrophobicContact CG-CG1 4.08Å
328	K	98.6	Very high	95.9	Very high	75 Å²	75	52.7 Å²	52.7	33%	0.326	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-40.9	175.6	-66.6	176.3	176.3	-179.9	0	112	Q269 F273 K324 F325 I326 R330 Q331 E332	Q269-K328 VanDerWaalsContact CD-NZ 3.27Å; Q269-K328 VanDerWaalsContact NE2-NZ 3.11Å; F273-K328 HydrophobicContact CE1-CB 4.2Å; F273-K328 HydrophobicContact CZ-CB 3.62Å; F273-K328 HydrophobicContact CZ-CD 4.34Å; K324-K328 WeakPolarHBondContact O-CG 3.29Å; K324-K328 PolarHBondContact O-N 2.94Å; K324-K328 VanDerWaalsContact O-N 3.16Å; F325-K328 WeakPolarHBondContact O-CB 3.45Å; F325-K328 PolarHBondContact O-N 3.17Å; F325-K328 VanDerWaalsContact O-N 3.09Å; I326-K328 VanDerWaalsContact C-N 3.31Å; I326-K328 PolarHBondContact O-N 2.94Å; K328-R330 VanDerWaalsContact C-N 3.31Å; K328-R330 PolarHBondContact O-N 3.36Å; K328-Q331 WeakPolarHBondContact O-CB 3.4Å; K328-Q331 PolarHBondContact O-N 3.31Å; K328-Q331 VanDerWaalsContact O-N 3.17Å; K328-E332 PolarHBondContact O-N 3.11Å
329	V	98.6	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-44.9	172.7	177.7	0	0	0	0	110.5	F273 V276 L289 F325 I326 Q331 E332 I333 L346	F273-V329 HydrophobicContact CE1-CG2 4.01Å; V276-V329 HydrophobicContact CG2-CG1 4.36Å; L289-V329 HydrophobicContact CD1-CG1 4.33Å; F325-V329 HydrophobicContact CE1-CG2 4.19Å; F325-V329 HydrophobicContact CE2-CG2 4.37Å; F325-V329 HydrophobicContact CZ-CG2 4.02Å; F325-V329 PolarHBondContact O-N 2.7Å; F325-V329 VanDerWaalsContact O-N 3.11Å; I326-V329 PolarHBondContact O-N 2.91Å; V329-Q331 VanDerWaalsContact C-N 3.32Å; V329-Q331 PolarHBondContact O-N 2.85Å; V329-E332 PolarHBondContact O-N 3.43Å; V329-I333 HydrophobicContact CG1-CD1 4Å; V329-I333 HydrophobicContact CG1-CG1 4.48Å; V329-I333 WeakPolarHBondContact O-CG1 3.39Å; V329-I333 PolarHBondContact O-N 2.96Å; V329-L346 HydrophobicContact CG1-CD1 4.14Å; V329-L346 HydrophobicContact CG1-CD2 4.42Å
330	R	98.6	Very high	96.9	Very high	25 Å²	25	59.1 Å²	59.1	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-42	175.2	-178.2	66.8	-88.8	172.9	-11	112.1	I326 E327 K328 I333 D334 M337 L346 V370 D372	I326-R330 WeakPolarHBondContact O-CB 3.47Å; I326-R330 PolarHBondContact O-N 2.83Å; E327-R330 WeakPolarHBondContact O-CB 3.46Å; E327-R330 PolarHBondContact O-N 3.32Å; K328-R330 VanDerWaalsContact C-N 3.31Å; K328-R330 PolarHBondContact O-N 3.36Å; R330-I333 PolarHBondContact O-N 3.44Å; R330-D334 IonicContact CZ-OD1 3.57Å; R330-D334 IonicContact NE-OD1 3.86Å; R330-D334 PolarHBondContact NE-OD1 3.3Å; R330-D334 IonicContact NE-OD2 3.17Å; R330-D334 IonicContact NH2-OD1 3.54Å; R330-D334 PolarHBondContact NH2-OD1 2.98Å; R330-D334 WeakPolarHBondContact O-CB 3.5Å; R330-D334 PolarHBondContact O-N 3.15Å; R330-M337 PolarHBondContact NH2-SD 3.16Å; R330-L346 HydrophobicContact CB-CD2 3.82Å; R330-L346 HydrophobicContact CG-CD2 4.5Å; R330-L346 VanDerWaalsContact NH1-CB 3.29Å; R330-V370 WeakPolarHBondContact CD-O 3.3Å; R330-V370 WeakPolarHBondContact CG-O 3.08Å; R330-D372 IonicContact CZ-OD2 2.76Å; R330-D372 IonicContact NH1-OD2 3.66Å; R330-D372 PolarHBondContact NH1-OD2 3.25Å
331	Q	98.4	Very high	97	Very high	103 Å²	103	55.3 Å²	55.3	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.8	-71.6	168.5	10.4	0	0	112.2	E327 K328 V329 D334 K335	E327-Q331 VanDerWaalsContact O-CG 3.29Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 3.43Å; K328-Q331 WeakPolarHBondContact O-CB 3.4Å; K328-Q331 PolarHBondContact O-N 3.31Å; K328-Q331 VanDerWaalsContact O-N 3.17Å; V329-Q331 VanDerWaalsContact C-N 3.32Å; V329-Q331 PolarHBondContact O-N 2.85Å; Q331-D334 PolarHBondContact O-N 3.24Å; Q331-K335 WeakPolarHBondContact O-CB 3.24Å; Q331-K335 PolarHBondContact O-N 2.85Å
332	E	98.4	Very high	97	Very high	38 Å²	38	57 Å²	57	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-42.2	176.4	-70.4	-55.1	126.2	0	0	112	F273 H277 K328 V329 K335 W336	F273-E332 HydrophobicContact CB-CG 4.18Å; F273-E332 HydrophobicContact CD1-CG 3.96Å; F273-E332 HydrophobicContact CD2-CG 3.96Å; F273-E332 HydrophobicContact CE1-CG 4.38Å; F273-E332 HydrophobicContact CE2-CG 4.37Å; F273-E332 HydrophobicContact CG-CG 3.76Å; H277-E332 IonicContact CE1-OE2 3.13Å; H277-E332 PolarHBondContact CE1-OE2 3.09Å; H277-E332 IonicContact NE2-OE2 2.68Å; H277-E332 PolarHBondContact NE2-OE2 2.85Å; K328-E332 PolarHBondContact O-N 3.11Å; V329-E332 PolarHBondContact O-N 3.43Å; E332-K335 PolarHBondContact O-N 2.78Å; E332-W336 PolarHBondContact O-N 2.73Å
333	I	98.4	Very high	96.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-43.3	174.9	-61.6	172.9	0	0	0	110.5	V276 M280 V329 R330 K335 W336 M337 V344 L346	V276-I333 HydrophobicContact CG1-CG1 3.98Å; M280-I333 HydrophobicContact SD-CB 4.39Å; M280-I333 HydrophobicContact SD-CG1 4.09Å; M280-I333 HydrophobicContact SD-CG2 4.16Å; V329-I333 HydrophobicContact CG1-CD1 4Å; V329-I333 HydrophobicContact CG1-CG1 4.48Å; V329-I333 WeakPolarHBondContact O-CG1 3.39Å; V329-I333 PolarHBondContact O-N 2.96Å; R330-I333 PolarHBondContact O-N 3.44Å; I333-K335 VanDerWaalsContact C-N 3.34Å; I333-K335 PolarHBondContact O-N 2.91Å; I333-W336 WeakPolarHBondContact O-CB 3.36Å; I333-W336 PolarHBondContact O-N 3.17Å; I333-W336 VanDerWaalsContact O-N 3.15Å; I333-M337 HydrophobicContact CG2-CG 4.22Å; I333-M337 HydrophobicContact CG2-SD 4.22Å; I333-M337 VanDerWaalsContact O-CG 3.29Å; I333-M337 WeakPolarHBondContact O-CG 3.1Å; I333-M337 PolarHBondContact O-N 3.46Å; I333-V344 HydrophobicContact CG2-CB 3.48Å; I333-V344 VanDerWaalsContact CG2-CB 3.48Å; I333-V344 HydrophobicContact CG2-CG1 3.7Å; I333-V344 HydrophobicContact CG2-CG2 4.17Å; I333-L346 HydrophobicContact CD1-CB 4.03Å; I333-L346 HydrophobicContact CD1-CD1 3.9Å; I333-L346 HydrophobicContact CD1-CD2 4.29Å; I333-L346 HydrophobicContact CD1-CG 4.29Å
334	D	98	Very high	97	Very high	60 Å²	60	61.5 Å²	61.5	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-39	178.7	-75.3	-11.7	0	0	0	112.6	R330 Q331 W336 M337 K338	R330-D334 IonicContact CZ-OD1 3.57Å; R330-D334 IonicContact NE-OD1 3.86Å; R330-D334 PolarHBondContact NE-OD1 3.3Å; R330-D334 IonicContact NE-OD2 3.17Å; R330-D334 IonicContact NH2-OD1 3.54Å; R330-D334 PolarHBondContact NH2-OD1 2.98Å; R330-D334 WeakPolarHBondContact O-CB 3.5Å; R330-D334 PolarHBondContact O-N 3.15Å; Q331-D334 PolarHBondContact O-N 3.24Å; D334-W336 VanDerWaalsContact C-N 3.34Å; D334-M337 PolarHBondContact O-N 2.95Å; D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.04Å; D334-K338 PolarHBondContact O-N 2.84Å
335	K	97.7	Very high	97	Very high	129 Å²	129	56.8 Å²	56.8	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-59.5	-47.6	172.6	-179.7	-176.7	175.8	-172.8	0	110.2	Q331 E332 I333 K338 T339	Q331-K335 WeakPolarHBondContact O-CB 3.24Å; Q331-K335 PolarHBondContact O-N 2.85Å; E332-K335 PolarHBondContact O-N 2.78Å; I333-K335 VanDerWaalsContact C-N 3.34Å; I333-K335 PolarHBondContact O-N 2.91Å; K335-K338 PolarHBondContact O-N 3.34Å; K335-T339 WeakPolarHBondContact O-CG2 3.49Å; K335-T339 PolarHBondContact O-N 3.33Å; K335-T339 PolarHBondContact O-OG1 2.84Å
336	W	96.7	Very high	97.1	Very high	37 Å²	37	56.7 Å²	56.7	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-47.8	176.2	-175	85	0	0	0	112	M280 E332 I333 D334 K338 T339 S340 K342 V344	M280-W336 HydrophobicContact CB-CD2 4.06Å; M280-W336 HydrophobicContact CB-CG 4.37Å; M280-W336 HydrophobicContact CB-CH2 4.45Å; M280-W336 HydrophobicContact CB-CZ2 3.92Å; M280-W336 HydrophobicContact CE-CB 3.55Å; M280-W336 HydrophobicContact CE-CD2 4.23Å; M280-W336 HydrophobicContact CE-CG 3.65Å; M280-W336 HydrophobicContact CG-CD2 4.36Å; M280-W336 WeakPolarHBondContact O-CZ2 3.37Å; M280-W336 HydrophobicContact SD-CB 3.84Å; M280-W336 HydrophobicContact SD-CD2 3.71Å; M280-W336 HydrophobicContact SD-CE3 3.89Å; M280-W336 HydrophobicContact SD-CG 3.74Å; E332-W336 PolarHBondContact O-N 2.73Å; I333-W336 WeakPolarHBondContact O-CB 3.36Å; I333-W336 PolarHBondContact O-N 3.17Å; I333-W336 VanDerWaalsContact O-N 3.15Å; D334-W336 VanDerWaalsContact C-N 3.34Å; W336-K338 VanDerWaalsContact C-N 3.28Å; W336-K338 PolarHBondContact O-N 2.98Å; W336-T339 PolarHBondContact O-N 2.81Å; W336-T339 PolarHBondContact O-OG1 3.43Å; W336-S340 VanDerWaalsContact CE3-OG 3.26Å; W336-S340 VanDerWaalsContact CZ3-OG 3.31Å; W336-S340 WeakPolarHBondContact CZ3-OG 3.17Å; W336-S340 WeakPolarHBondContact O-CB 3.42Å; W336-S340 PolarHBondContact O-N 2.83Å; W336-S340 PolarHBondContact O-OG 2.86Å; W336-S340 VanDerWaalsContact O-OG 3.09Å; W336-K342 HydrophobicContact CH2-CB 3.89Å; W336-K342 HydrophobicContact CH2-CD 3.78Å; W336-K342 HydrophobicContact CH2-CG 3.93Å; W336-K342 HydrophobicContact CZ3-CB 3.75Å; W336-K342 HydrophobicContact CZ3-CD 4.27Å; W336-K342 HydrophobicContact CZ3-CG 3.9Å; W336-V344 HydrophobicContact CD2-CG2 4.49Å; W336-V344 HydrophobicContact CE3-CG2 3.3Å; W336-V344 HydrophobicContact CH2-CG2 3.91Å; W336-V344 HydrophobicContact CZ3-CB 4.46Å; W336-V344 HydrophobicContact CZ3-CG2 2.96Å
337	M	96.6	Very high	97.1	Very high	49 Å²	49	56.7 Å²	56.7	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-39.1	178.7	-71.7	-173.4	42.3	0	0	112.7	R330 I333 D334 T339 G341 K342 K343 V344	R330-M337 PolarHBondContact NH2-SD 3.16Å; I333-M337 HydrophobicContact CG2-CG 4.22Å; I333-M337 HydrophobicContact CG2-SD 4.22Å; I333-M337 VanDerWaalsContact O-CG 3.29Å; I333-M337 WeakPolarHBondContact O-CG 3.1Å; I333-M337 PolarHBondContact O-N 3.46Å; D334-M337 PolarHBondContact O-N 2.95Å; M337-T339 VanDerWaalsContact C-N 3.33Å; M337-G341 WeakPolarHBondContact O-CA 3.22Å; M337-G341 PolarHBondContact O-N 3.07Å; M337-K342 VanDerWaalsContact CG-O 3.26Å; M337-K342 WeakPolarHBondContact CG-O 3.41Å; M337-K343 HydrophobicContact CE-CB 4.26Å; M337-K343 HydrophobicContact CE-CG 4.13Å; M337-V344 HydrophobicContact CG-CB 4.29Å; M337-V344 HydrophobicContact CG-CG2 4.11Å; M337-V344 HydrophobicContact SD-CB 4.29Å; M337-V344 PolarHBondContact SD-N 3.04Å; M337-V344 VanDerWaalsContact SD-N 3.44Å
338	K	96.8	Very high	97.1	Very high	181 Å²	181	52.6 Å²	52.6	79%	0.787	27%	0.27	S	S	*	.	H	α-helix	trans	-64.6	-37.4	175.3	-73.5	170.7	-173.6	174	0	112.3	D334 K335 W336	D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.04Å; D334-K338 PolarHBondContact O-N 2.84Å; K335-K338 PolarHBondContact O-N 3.34Å; W336-K338 VanDerWaalsContact C-N 3.28Å; W336-K338 PolarHBondContact O-N 2.98Å
339	T	95.7	Very high	97	Very high	111 Å²	111	49 Å²	49	68%	0.681	25%	0.254	S	S	*	.	H	α-helix	trans	-82	-38.5	-178.4	58.8	0	0	0	0	113.6	K335 W336 M337	K335-T339 WeakPolarHBondContact O-CG2 3.49Å; K335-T339 PolarHBondContact O-N 3.33Å; K335-T339 PolarHBondContact O-OG1 2.84Å; W336-T339 PolarHBondContact O-N 2.81Å; W336-T339 PolarHBondContact O-OG1 3.43Å; M337-T339 VanDerWaalsContact C-N 3.33Å
340	S	95	Very high	96.6	Very high	54 Å²	54	49 Å²	49	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-89.1	-23.2	-176.2	70.2	0	0	0	0	113	W336 K342	W336-S340 VanDerWaalsContact CE3-OG 3.26Å; W336-S340 VanDerWaalsContact CZ3-OG 3.31Å; W336-S340 WeakPolarHBondContact CZ3-OG 3.17Å; W336-S340 WeakPolarHBondContact O-CB 3.42Å; W336-S340 PolarHBondContact O-N 2.83Å; W336-S340 PolarHBondContact O-OG 2.86Å; W336-S340 VanDerWaalsContact O-OG 3.09Å; S340-K342 PolarHBondContact O-N 3.47Å; S340-K342 PolarHBondContact OG-N 3.16Å; S340-K342 VanDerWaalsContact OG-N 3.14Å
341	G	92.4	Very high	96.2	Very high	69 Å²	69	47.9 Å²	47.9	71%	0.711	25%	0.25	S	C	*	.			trans	70.8	-0.5	-170.1	0	0	0	0	0	114.3	M337	M337-G341 WeakPolarHBondContact O-CA 3.22Å; M337-G341 PolarHBondContact O-N 3.07Å
342	K	92.8	Very high	95.3	Very high	59 Å²	59	43 Å²	43	26%	0.257	23%	0.227	S	C	.	.			trans	-89.9	134.6	179.3	175.4	167.3	165.5	-176.6	0	109.9	G283 I284 D285 W336 M337 S340	G283-K342 PolarHBondContact O-NZ 3.23Å; I284-K342 WeakPolarHBondContact O-CE 3.46Å; I284-K342 PolarHBondContact O-NZ 2.66Å; D285-K342 WeakPolarHBondContact OD1-CE 3.29Å; D285-K342 IonicContact OD1-NZ 2.76Å; D285-K342 PolarHBondContact OD1-NZ 2.85Å; W336-K342 HydrophobicContact CH2-CB 3.89Å; W336-K342 HydrophobicContact CH2-CD 3.78Å; W336-K342 HydrophobicContact CH2-CG 3.93Å; W336-K342 HydrophobicContact CZ3-CB 3.75Å; W336-K342 HydrophobicContact CZ3-CD 4.27Å; W336-K342 HydrophobicContact CZ3-CG 3.9Å; M337-K342 VanDerWaalsContact CG-O 3.26Å; M337-K342 WeakPolarHBondContact CG-O 3.41Å; S340-K342 PolarHBondContact O-N 3.47Å; S340-K342 PolarHBondContact OG-N 3.16Å; S340-K342 VanDerWaalsContact OG-N 3.14Å
343	K	94.1	Very high	94.3	Very high	109 Å²	109	41.4 Å²	41.4	47%	0.474	22%	0.22	S	C	.	.			trans	-76.2	136.6	172.3	-66.1	-174.2	178.5	-176.3	0	110.4	P105 M337	P105-K343 HydrophobicContact CB-CD 4.46Å; M337-K343 HydrophobicContact CE-CB 4.26Å; M337-K343 HydrophobicContact CE-CG 4.13Å
344	V	97.8	Very high	92.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.			trans	-126.2	129.2	175.8	-175.3	0	0	0	0	109	M280 D285 I333 W336 M337	M280-V344 HydrophobicContact SD-CG1 4.4Å; M280-V344 HydrophobicContact SD-CG2 4.25Å; D285-V344 WeakPolarHBondContact O-CA 3.3Å; I333-V344 HydrophobicContact CG2-CB 3.48Å; I333-V344 VanDerWaalsContact CG2-CB 3.48Å; I333-V344 HydrophobicContact CG2-CG1 3.7Å; I333-V344 HydrophobicContact CG2-CG2 4.17Å; W336-V344 HydrophobicContact CD2-CG2 4.49Å; W336-V344 HydrophobicContact CE3-CG2 3.3Å; W336-V344 HydrophobicContact CH2-CG2 3.91Å; W336-V344 HydrophobicContact CZ3-CB 4.46Å; W336-V344 HydrophobicContact CZ3-CG2 2.96Å; M337-V344 HydrophobicContact CG-CB 4.29Å; M337-V344 HydrophobicContact CG-CG2 4.11Å; M337-V344 HydrophobicContact SD-CB 4.29Å; M337-V344 PolarHBondContact SD-N 3.04Å; M337-V344 VanDerWaalsContact SD-N 3.44Å
345	L	98.4	Very high	91	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.4	173.5	169.1	66.9	0	0	0	110.7	F106 W107 V201 D285 G286 I287 D372 V373	F106-L345 HydrophobicContact CE1-CB 4.39Å; F106-L345 HydrophobicContact CE2-CD2 4.44Å; F106-L345 HydrophobicContact CZ-CB 3.83Å; F106-L345 HydrophobicContact CZ-CD2 4.37Å; W107-L345 HydrophobicContact CB-CD1 4.14Å; W107-L345 HydrophobicContact CB-CD2 4.35Å; W107-L345 HydrophobicContact CD2-CB 4.24Å; W107-L345 HydrophobicContact CD2-CD1 3.63Å; W107-L345 HydrophobicContact CD2-CG 4.44Å; W107-L345 HydrophobicContact CE3-CB 3.6Å; W107-L345 HydrophobicContact CE3-CD1 3.9Å; W107-L345 HydrophobicContact CE3-CG 4.26Å; W107-L345 HydrophobicContact CG-CD1 3.77Å; W107-L345 HydrophobicContact CH2-CB 4.47Å; W107-L345 HydrophobicContact CZ3-CB 3.73Å; W107-L345 HydrophobicContact CZ3-CD1 4.47Å; V201-L345 HydrophobicContact CG1-CD2 4.27Å; V201-L345 HydrophobicContact CG2-CD2 3.84Å; D285-L345 PolarHBondContact O-N 3.38Å; G286-L345 CarbonylContact C-O 3.47Å; G286-L345 WeakPolarHBondContact CA-O 3.43Å; I287-L345 PolarHBondContact N-O 2.88Å; L345-D372 HydrophobicContact CD1-CB 3.57Å; L345-V373 HydrophobicContact CD1-CB 4.01Å; L345-V373 HydrophobicContact CD1-CG2 3.32Å; L345-V373 HydrophobicContact CD2-CG2 4.49Å; L345-V373 HydrophobicContact CG-CG2 4.49Å
346	L	98.8	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.2	159.9	-178.4	60	0	0	0	110.2	I287 L289 I326 V329 R330 I333 D372 V373	I287-L346 HydrophobicContact CG2-CD1 4.49Å; L289-L346 HydrophobicContact CD1-CD1 3.83Å; L289-L346 HydrophobicContact CG-CD1 3.9Å; I326-L346 HydrophobicContact CG2-CD2 4.04Å; V329-L346 HydrophobicContact CG1-CD1 4.14Å; V329-L346 HydrophobicContact CG1-CD2 4.42Å; R330-L346 HydrophobicContact CB-CD2 3.82Å; R330-L346 HydrophobicContact CG-CD2 4.5Å; R330-L346 VanDerWaalsContact NH1-CB 3.29Å; I333-L346 HydrophobicContact CD1-CB 4.03Å; I333-L346 HydrophobicContact CD1-CD1 3.9Å; I333-L346 HydrophobicContact CD1-CD2 4.29Å; I333-L346 HydrophobicContact CD1-CG 4.29Å; L346-D372 PolarHBondContact N-OD2 3.29Å; L346-D372 WeakPolarHBondContact O-CB 3.46Å; L346-D372 PolarHBondContact O-N 3.45Å; L346-V373 PolarHBondContact O-N 3.24Å
347	G	98.6	Very high	87	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.6	172.2	0	0	0	0	0	112.1	I287 L289 V373	I287-G347 PolarHBondContact O-N 3.01Å; L289-G347 PolarHBondContact N-O 3.27Å; G347-V373 CarbonylContact C-O 3.52Å; G347-V373 VanDerWaalsContact CA-O 3.23Å; G347-V373 WeakPolarHBondContact CA-O 3.11Å
348	V	98.3	Very high	84.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133	170.9	-64.4	0	0	0	0	110.9	L289 A292 I326 M364 F367 A371 V373 I374 I375	L289-V348 HydrophobicContact CB-CG1 4.36Å; L289-V348 WeakPolarHBondContact O-CA 3.46Å; A292-V348 HydrophobicContact CB-CB 4.34Å; I326-V348 HydrophobicContact CD1-CG1 3.79Å; I326-V348 HydrophobicContact CG2-CG1 4.09Å; V348-M364 HydrophobicContact CB-CE 4.03Å; V348-M364 HydrophobicContact CG2-CE 3.65Å; V348-M364 VanDerWaalsContact O-CE 3.26Å; V348-M364 WeakPolarHBondContact O-CE 3.23Å; V348-F367 HydrophobicContact CG2-CB 3.83Å; V348-F367 HydrophobicContact CG2-CD2 4.2Å; V348-F367 HydrophobicContact CG2-CG 4.27Å; V348-A371 HydrophobicContact CB-CB 4.49Å; V348-A371 HydrophobicContact CG1-CB 3.9Å; V348-A371 HydrophobicContact CG2-CB 3.78Å; V348-V373 PolarHBondContact N-O 3.02Å; V348-I374 HydrophobicContact CG2-CB 4.21Å; V348-I374 HydrophobicContact CG2-CG1 4.01Å; V348-I374 HydrophobicContact CG2-CG2 4.18Å; V348-I375 WeakPolarHBondContact O-CG1 3.27Å; V348-I375 PolarHBondContact O-N 3.26Å
349	N	96.4	Very high	83	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	20%	0.197	C	C	.	.			trans	-117.6	141.1	171.3	-177.2	45.5	0	0	0	110.1	W114 L288 L289 D290 N291 A292 G351 I375	W114-N349 HydrophobicContact CH2-CB 4.17Å; L288-N349 HydrophobicContact CD1-CB 4.23Å; L288-N349 HydrophobicContact CD2-CB 4.39Å; L288-N349 HydrophobicContact CG-CB 4.43Å; L289-N349 PolarHBondContact O-N 3.26Å; D290-N349 PolarHBondContact OD1-ND2 3.04Å; N291-N349 PolarHBondContact N-O 3Å; A292-N349 VanDerWaalsContact CB-O 3.3Å; A292-N349 WeakPolarHBondContact CB-O 3.48Å; A292-N349 PolarHBondContact N-O 3.44Å; N349-G351 PolarHBondContact ND2-N 2.87Å; N349-G351 PolarHBondContact O-N 2.68Å; N349-I375 HydrophobicContact CB-CB 4.28Å; N349-I375 HydrophobicContact CB-CG1 3.98Å
350	A	91.2	Very high	81.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.			trans	-62	-29.5	178.5	0	0	0	0	0	112.8	A293 Y318 T353 M364	A293-A350 WeakPolarHBondContact CB-O 3.42Å; Y318-A350 HydrophobicContact CE1-CB 4.27Å; Y318-A350 VanDerWaalsContact OH-CB 3.3Å; Y318-A350 WeakPolarHBondContact OH-CB 3.32Å; A350-T353 HydrophobicContact CB-CG2 4.14Å; A350-T353 WeakPolarHBondContact O-CG2 3.35Å; A350-M364 VanDerWaalsContact CA-SD 3.53Å; A350-M364 HydrophobicContact CB-CG 3.91Å; A350-M364 HydrophobicContact CB-SD 3.56Å; A350-M364 VanDerWaalsContact CB-SD 3.56Å
351	G	88.8	Confident	80.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.			trans	70.4	-156.7	-165.6	0	0	0	0	0	112.9	D290 N291 N349 T353 F419	D290-G351 WeakPolarHBondContact OD1-CA 3.41Å; N291-G351 WeakPolarHBondContact OD1-CA 3.27Å; N349-G351 PolarHBondContact ND2-N 2.87Å; N349-G351 PolarHBondContact O-N 2.68Å; G351-T353 VanDerWaalsContact C-N 3.27Å; G351-T353 PolarHBondContact O-N 2.83Å; G351-T353 PolarHBondContact O-OG1 3.05Å; G351-F419 WeakPolarHBondContact O-CE2 3.18Å
352	D	80.1	Confident	80.5	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.168	C	C	.	.	S	Bend	trans	-76.4	67.6	-171.8	-171.8	-15.9	0	0	0	113.2	R236 Y237 N291 Y294 W354 S418 S477	R236-D352 IonicContact CZ-OD1 3.88Å; R236-D352 PolarHBondContact NE-O 3.19Å; R236-D352 IonicContact NE-OD1 3.05Å; R236-D352 IonicContact NH2-OD1 3.59Å; R236-D352 PolarHBondContact NH2-OD1 3.04Å; Y237-D352 VanDerWaalsContact CE1-OD2 3.28Å; Y237-D352 WeakPolarHBondContact CE1-OD2 3.15Å; Y237-D352 PolarHBondContact OH-OD2 3.34Å; N291-D352 PolarHBondContact OD1-N 3.03Å; Y294-D352 PolarHBondContact OH-O 3.14Å; D352-W354 VanDerWaalsContact OD1-CD1 3.25Å; D352-S418 PolarHBondContact N-OG 2.93Å; D352-S477 PolarHBondContact OD2-OG 2.64Å
353	T	78.4	Confident	80.2	Confident	3 Å²	3	31 Å²	31	2%	0.018	16%	0.163	C	C	.	.			trans	-98.5	31.2	-177.5	55.2	0	0	0	0	113.3	A293 Y294 Y318 A350 G351 C355 D356 R377 R383	A293-T353 HydrophobicContact CB-CG2 3.29Å; Y294-T353 HydrophobicContact CE2-CG2 3.87Å; Y294-T353 WeakPolarHBondContact OH-CA 3.35Å; Y318-T353 HydrophobicContact CE2-CG2 4.34Å; Y318-T353 WeakPolarHBondContact OH-CG2 3.3Å; Y318-T353 PolarHBondContact OH-OG1 3.14Å; Y318-T353 VanDerWaalsContact OH-OG1 3.14Å; A350-T353 HydrophobicContact CB-CG2 4.14Å; A350-T353 WeakPolarHBondContact O-CG2 3.35Å; G351-T353 VanDerWaalsContact C-N 3.27Å; G351-T353 PolarHBondContact O-N 2.83Å; G351-T353 PolarHBondContact O-OG1 3.05Å; T353-C355 PolarHBondContact O-N 3.15Å; T353-D356 PolarHBondContact O-N 2.73Å; T353-R377 PolarHBondContact OG1-NH1 3.09Å; T353-R383 PolarHBondContact O-NH2 2.63Å
354	W	66.7	Low	80	Confident	23 Å²	23	25.8 Å²	25.8	9%	0.087	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.7	-30.2	-169.2	-96.1	98.1	0	0	0	116.3	D352 N382 R383 S418 F419 Y475	D352-W354 VanDerWaalsContact OD1-CD1 3.25Å; W354-N382 HydrophobicContact CZ3-CB 4.34Å; W354-R383 VanDerWaalsContact O-CZ 3.29Å; W354-R383 PolarHBondContact O-NH1 2.78Å; W354-R383 PolarHBondContact O-NH2 3.06Å; W354-R383 VanDerWaalsContact O-NH2 3.14Å; W354-S418 PolarHBondContact NE1-O 3.4Å; W354-F419 AromaticContact CD1-CE1 3.81Å; W354-F419 AromaticContact CD2-CD1 3.98Å; W354-F419 HydrophobicContact CD2-CD1 3.98Å; W354-F419 AromaticContact CD2-CE1 3.49Å; W354-F419 HydrophobicContact CD2-CE1 3.49Å; W354-F419 VanDerWaalsContact CD2-CE1 3.49Å; W354-F419 HydrophobicContact CD2-CZ 4.37Å; W354-F419 AromaticContact CE2-CD1 3.32Å; W354-F419 AromaticContact CE2-CE1 3.34Å; W354-F419 HydrophobicContact CE3-CE1 4.01Å; W354-F419 AromaticContact CG-CE1 3.82Å; W354-F419 HydrophobicContact CG-CE1 3.82Å; W354-F419 HydrophobicContact CG-CZ 4.25Å; W354-F419 AromaticContact CH2-CD1 3.93Å; W354-F419 HydrophobicContact CH2-CD1 3.93Å; W354-F419 HydrophobicContact CH2-CE1 4.24Å; W354-F419 AromaticContact CZ2-CD1 3.32Å; W354-F419 HydrophobicContact CZ2-CD1 3.32Å; W354-F419 AromaticContact CZ2-CE1 3.77Å; W354-F419 HydrophobicContact CZ2-CE1 3.77Å; W354-F419 HydrophobicContact CZ2-CG 4.28Å; W354-F419 HydrophobicContact CZ3-CD1 4.48Å; W354-F419 HydrophobicContact CZ3-CE1 4.36Å; W354-F419 AromaticContact NE1-CD1 3.57Å; W354-F419 AromaticContact NE1-CE1 3.53Å; W354-Y475 HydrophobicContact CD2-CD1 4.25Å; W354-Y475 HydrophobicContact CD2-CG 4.26Å; W354-Y475 AromaticContact CE3-CD1 3.92Å; W354-Y475 HydrophobicContact CE3-CD1 3.92Å; W354-Y475 HydrophobicContact CE3-CE1 4.47Å; W354-Y475 HydrophobicContact CE3-CG 4.22Å; W354-Y475 AromaticContact CH2-CD1 3.41Å; W354-Y475 HydrophobicContact CH2-CD1 3.41Å; W354-Y475 VanDerWaalsContact CH2-CD1 3.41Å; W354-Y475 AromaticContact CH2-CE1 3.98Å; W354-Y475 HydrophobicContact CH2-CE1 3.98Å; W354-Y475 HydrophobicContact CH2-CG 4.32Å; W354-Y475 AromaticContact CZ2-CD1 3.74Å; W354-Y475 HydrophobicContact CZ2-CD1 3.74Å; W354-Y475 HydrophobicContact CZ2-CG 4.33Å; W354-Y475 AromaticContact CZ3-CD1 3.5Å; W354-Y475 HydrophobicContact CZ3-CD1 3.5Å; W354-Y475 VanDerWaalsContact CZ3-CD1 3.5Å; W354-Y475 AromaticContact CZ3-CE1 3.84Å; W354-Y475 HydrophobicContact CZ3-CE1 3.84Å; W354-Y475 HydrophobicContact CZ3-CG 4.25Å; W354-Y475 PolarHBondContact NE1-O 3.34Å
355	C	60.6	Low	79.7	Confident	30 Å²	30	26.4 Å²	26.4	20%	0.203	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-35.6	-179.1	-53.4	0	0	0	0	118	S310 C311 T353 L357	S310-C355 PolarHBondContact O-SG 3.46Å; C311-C355 WeakPolarHBondContact CA-SG 3.21Å; C311-C355 HydrophobicContact CB-CB 3.12Å; C311-C355 WeakPolarHBondContact CB-SG 3.38Å; C311-C355 WeakPolarHBondContact SG-CB 3.12Å; C311-C355 CovalentContact SG-SG 2.01Å; C311-C355 PolarHBondContact SG-SG 3.42Å; T353-C355 PolarHBondContact O-N 3.15Å; C355-L357 PolarHBondContact O-N 3.07Å
356	D	56.5	Low	79.3	Confident	24 Å²	24	29 Å²	29	13%	0.128	16%	0.157	C	C	.	.			trans	-82.8	77.8	-170.1	-175.9	14.2	0	0	0	108.3	Y318 T353 G359 P363 R377 R383	Y318-D356 HydrophobicContact CE2-CB 4.47Å; T353-D356 PolarHBondContact O-N 2.73Å; D356-G359 PolarHBondContact OD1-N 2.89Å; D356-P363 WeakPolarHBondContact OD2-CG 3.38Å; D356-R377 PolarHBondContact O-NH1 3.16Å; D356-R383 VanDerWaalsContact C-NH1 3.25Å; D356-R383 PolarHBondContact O-NH1 3.3Å
357	L	53.4	Low	79.1	Confident	55 Å²	55	29 Å²	29	29%	0.288	16%	0.157	S	C	.	.			trans	-80.3	-36.8	175.9	-74.6	171.5	0	0	0	108.9	C355 G359 N382 R383 E387	C355-L357 PolarHBondContact O-N 3.07Å; L357-G359 PolarHBondContact O-N 2.9Å; L357-N382 WeakPolarHBondContact CD2-O 3.39Å; L357-R383 VanDerWaalsContact CD2-CD 3.49Å; L357-E387 HydrophobicContact CB-CG 3.48Å; L357-E387 VanDerWaalsContact CB-CG 3.48Å; L357-E387 VanDerWaalsContact CB-OE1 3.3Å; L357-E387 WeakPolarHBondContact CB-OE1 3.48Å; L357-E387 HydrophobicContact CD1-CG 4.42Å; L357-E387 HydrophobicContact CD2-CG 3.6Å; L357-E387 HydrophobicContact CG-CG 4Å
358	T	53	Low	78.8	Confident	110 Å²	110	33 Å²	33	68%	0.675	17%	0.172	S	C	*	.			trans	-82.4	-15.1	-160.8	54.3	0	0	0	0	115.8	R360 E387	T358-R360 PolarHBondContact O-N 3.17Å; T358-R360 VanDerWaalsContact O-N 3.13Å; T358-E387 PolarHBondContact N-OE1 3.32Å
359	G	56.6	Low	78.7	Confident	19 Å²	19	39.3 Å²	39.3	20%	0.196	20%	0.201	C	C	.	.			trans	-53.5	118.2	176	0	0	0	0	0	112.1	D356 L357 P361	D356-G359 PolarHBondContact OD1-N 2.89Å; L357-G359 PolarHBondContact O-N 2.9Å; G359-P361 CarbonylContact C-O 3.56Å; G359-P361 CarbonylContact O-C 3.53Å
360	R	67.5	Low	78.7	Confident	159 Å²	159	39.8 Å²	39.8	60%	0.6	20%	0.204	S	C	*	.	S	Bend	trans	-131.5	112.6	174.4	-69.1	-175.5	-173.4	177.9	5.1	108.9	T358	T358-R360 PolarHBondContact O-N 3.17Å; T358-R360 VanDerWaalsContact O-N 3.13Å
361	P	78.6	Confident	79	Confident	78 Å²	78	39.8 Å²	39.8	51%	0.506	20%	0.204	S	C	.	.	S	Bend	cis	-68.4	179.1	-0.6	34.5	-40.2	0	0	0	113.9	G359 P363 L365 Y402	G359-P361 CarbonylContact C-O 3.56Å; G359-P361 CarbonylContact O-C 3.53Å; P361-P363 WeakPolarHBondContact O-CD 3.08Å; P361-L365 HydrophobicContact CB-CD1 3.65Å; P361-L365 HydrophobicContact CG-CD1 3.98Å; P361-Y402 HydrophobicContact CB-CD1 4.46Å; P361-Y402 HydrophobicContact CB-CE1 3.58Å
362	D	84.7	Confident	79.5	Confident	9 Å²	9	41.5 Å²	41.5	5%	0.048	21%	0.214	C	C	.	.			trans	-52.1	123	176.6	-168.3	-30.4	0	0	0	110.3	M364 L365 R377 Y402	D362-M364 PolarHBondContact O-N 3.15Å; D362-M364 PolarHBondContact OD1-N 3.05Å; D362-M364 VanDerWaalsContact OD1-N 3.09Å; D362-L365 WeakPolarHBondContact O-CB 3.46Å; D362-L365 WeakPolarHBondContact O-CG 3.22Å; D362-L365 PolarHBondContact O-N 3.24Å; D362-R377 IonicContact OD1-CZ 3.62Å; D362-R377 IonicContact OD1-NE 2.79Å; D362-R377 PolarHBondContact OD1-NE 3Å; D362-R377 IonicContact OD1-NH2 3.63Å; D362-R377 PolarHBondContact OD1-NH2 3.06Å; D362-R377 PolarHBondContact OD2-N 2.84Å; D362-R377 IonicContact OD2-NE 2.75Å; D362-Y402 PolarHBondContact N-OH 3.22Å; D362-Y402 VanDerWaalsContact N-OH 3.1Å
363	P	86.3	Confident	80.3	Confident	23 Å²	23	41.6 Å²	41.6	15%	0.149	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-50.5	-30.4	179	-26.3	24.9	0	0	0	114.6	Y318 D356 P361 L365 I366 R377	Y318-P363 HydrophobicContact CD1-CB 3.69Å; Y318-P363 HydrophobicContact CD2-CB 3.56Å; Y318-P363 HydrophobicContact CD2-CG 4.27Å; Y318-P363 HydrophobicContact CE1-CB 3.86Å; Y318-P363 HydrophobicContact CE2-CB 3.75Å; Y318-P363 HydrophobicContact CE2-CG 4.18Å; Y318-P363 HydrophobicContact CG-CB 3.53Å; D356-P363 WeakPolarHBondContact OD2-CG 3.38Å; P361-P363 WeakPolarHBondContact O-CD 3.08Å; P363-L365 PolarHBondContact O-N 2.89Å; P363-I366 WeakPolarHBondContact O-CB 3.46Å; P363-I366 VanDerWaalsContact O-CG2 3.25Å; P363-I366 WeakPolarHBondContact O-CG2 2.92Å; P363-I366 PolarHBondContact O-N 3.3Å; P363-R377 VanDerWaalsContact CD-NH2 3.34Å
364	M	89.3	Confident	81.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.4	-21.4	177.1	-78.9	-62.2	-69	0	0	113.5	Y318 V348 A350 D362 I366 F367 I374	Y318-M364 HydrophobicContact CD1-SD 4.3Å; Y318-M364 HydrophobicContact CE1-CG 3.89Å; Y318-M364 HydrophobicContact CE1-SD 3.57Å; Y318-M364 VanDerWaalsContact CE1-SD 3.57Å; V348-M364 HydrophobicContact CB-CE 4.03Å; V348-M364 HydrophobicContact CG2-CE 3.65Å; V348-M364 VanDerWaalsContact O-CE 3.26Å; V348-M364 WeakPolarHBondContact O-CE 3.23Å; A350-M364 VanDerWaalsContact CA-SD 3.53Å; A350-M364 HydrophobicContact CB-CG 3.91Å; A350-M364 HydrophobicContact CB-SD 3.56Å; A350-M364 VanDerWaalsContact CB-SD 3.56Å; D362-M364 PolarHBondContact O-N 3.15Å; D362-M364 PolarHBondContact OD1-N 3.05Å; D362-M364 VanDerWaalsContact OD1-N 3.09Å; M364-I366 PolarHBondContact O-N 3.3Å; M364-I366 VanDerWaalsContact O-N 3.09Å; M364-F367 HydrophobicContact CE-CD2 4.02Å; M364-F367 HydrophobicContact CE-CE2 4.41Å; M364-F367 PolarHBondContact O-N 2.77Å; M364-F367 VanDerWaalsContact O-N 3.17Å; M364-F367 HydrophobicContact SD-CD2 3.92Å; M364-F367 HydrophobicContact SD-CE2 3.87Å; M364-I374 HydrophobicContact CB-CG2 3.55Å; M364-I374 HydrophobicContact CE-CG2 3.81Å; M364-I374 HydrophobicContact CG-CG2 4.48Å; M364-I374 VanDerWaalsContact O-CG2 3.31Å; M364-I374 WeakPolarHBondContact O-CG2 3.49Å
365	L	90.7	Very high	82.6	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.068	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.6	-13.3	173.8	-66.3	-175.1	0	0	0	113.7	P361 D362 P363 F367 R368 Y402 L410	P361-L365 HydrophobicContact CB-CD1 3.65Å; P361-L365 HydrophobicContact CG-CD1 3.98Å; D362-L365 WeakPolarHBondContact O-CB 3.46Å; D362-L365 WeakPolarHBondContact O-CG 3.22Å; D362-L365 PolarHBondContact O-N 3.24Å; P363-L365 PolarHBondContact O-N 2.89Å; L365-F367 PolarHBondContact O-N 3.49Å; L365-R368 WeakPolarHBondContact O-CB 3.49Å; L365-R368 WeakPolarHBondContact O-CD 3.29Å; L365-R368 WeakPolarHBondContact O-CG 3.2Å; L365-R368 PolarHBondContact O-N 3.17Å; L365-R368 PolarHBondContact O-NH1 2.79Å; L365-Y402 HydrophobicContact CD1-CD1 3.95Å; L365-Y402 HydrophobicContact CD1-CE1 3.72Å; L365-L410 HydrophobicContact CD2-CD2 3.73Å
366	I	91.1	Very high	84.1	Confident	59 Å²	59	39 Å²	39	30%	0.303	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-60	-28.8	173.5	-157.3	-176.9	0	0	0	112	Y318 V323 P363 M364 R368	Y318-I366 WeakPolarHBondContact O-CD1 3.47Å; V323-I366 HydrophobicContact CG2-CB 4.39Å; V323-I366 HydrophobicContact CG2-CD1 3.73Å; V323-I366 HydrophobicContact CG2-CG1 3.65Å; V323-I366 HydrophobicContact CG2-CG2 4.14Å; P363-I366 WeakPolarHBondContact O-CB 3.46Å; P363-I366 VanDerWaalsContact O-CG2 3.25Å; P363-I366 WeakPolarHBondContact O-CG2 2.92Å; P363-I366 PolarHBondContact O-N 3.3Å; M364-I366 PolarHBondContact O-N 3.3Å; M364-I366 VanDerWaalsContact O-N 3.09Å; I366-R368 PolarHBondContact O-N 3.27Å
367	F	94.7	Very high	85.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-88.8	4.6	-177.4	-56.4	-59.6	0	0	0	114.4	A292 Y318 V323 I326 V348 M364 L365 E369 V370 A371	A292-F367 HydrophobicContact CB-CE2 4.34Å; A292-F367 HydrophobicContact CB-CZ 4.46Å; A292-F367 WeakPolarHBondContact O-CZ 3.38Å; Y318-F367 HydrophobicContact CD1-CE2 4.01Å; V323-F367 HydrophobicContact CG2-CD1 3.86Å; V323-F367 HydrophobicContact CG2-CE1 3.89Å; I326-F367 HydrophobicContact CD1-CD1 3.58Å; I326-F367 HydrophobicContact CD1-CE1 3.59Å; I326-F367 HydrophobicContact CD1-CG 4.2Å; I326-F367 HydrophobicContact CD1-CZ 4.21Å; V348-F367 HydrophobicContact CG2-CB 3.83Å; V348-F367 HydrophobicContact CG2-CD2 4.2Å; V348-F367 HydrophobicContact CG2-CG 4.27Å; M364-F367 HydrophobicContact CE-CD2 4.02Å; M364-F367 HydrophobicContact CE-CE2 4.41Å; M364-F367 PolarHBondContact O-N 2.77Å; M364-F367 VanDerWaalsContact O-N 3.17Å; M364-F367 HydrophobicContact SD-CD2 3.92Å; M364-F367 HydrophobicContact SD-CE2 3.87Å; L365-F367 PolarHBondContact O-N 3.49Å; F367-E369 VanDerWaalsContact C-N 3.28Å; F367-E369 PolarHBondContact O-N 3.14Å; F367-V370 HydrophobicContact CB-CG2 4.19Å; F367-V370 HydrophobicContact CD1-CG2 4.47Å; F367-V370 VanDerWaalsContact O-CG2 3.25Å; F367-V370 WeakPolarHBondContact O-CG2 3.46Å; F367-V370 PolarHBondContact O-N 2.99Å; F367-V370 VanDerWaalsContact O-N 3.1Å; F367-A371 PolarHBondContact O-N 2.75Å
368	R	93.1	Very high	87.2	Confident	86 Å²	86	35.8 Å²	35.8	33%	0.325	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.8	-169.2	72	-174.1	176	-91.8	0.7	116	L365 I366 I374 K409	L365-R368 WeakPolarHBondContact O-CB 3.49Å; L365-R368 WeakPolarHBondContact O-CD 3.29Å; L365-R368 WeakPolarHBondContact O-CG 3.2Å; L365-R368 PolarHBondContact O-N 3.17Å; L365-R368 PolarHBondContact O-NH1 2.79Å; I366-R368 PolarHBondContact O-N 3.27Å; R368-I374 HydrophobicContact CB-CD1 3.47Å; R368-I374 VanDerWaalsContact CB-CD1 3.47Å; R368-K409 WeakPolarHBondContact O-CD 3.5Å; R368-K409 PolarHBondContact O-NZ 2.8Å
369	E	95	Very high	88.9	Confident	131 Å²	131	30.7 Å²	30.7	61%	0.612	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.6	179	-56.5	-53.2	149.3	0	0	111.8	F367	F367-E369 VanDerWaalsContact C-N 3.28Å; F367-E369 PolarHBondContact O-N 3.14Å
370	V	97.1	Very high	90.4	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.067	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-18.9	-172.2	-60.7	0	0	0	0	113.5	V323 I326 E327 R330 F367	V323-V370 HydrophobicContact CG1-CG1 4.01Å; V323-V370 HydrophobicContact CG1-CG2 4.26Å; I326-V370 HydrophobicContact CB-CG2 4.06Å; I326-V370 HydrophobicContact CG2-CB 4.17Å; I326-V370 HydrophobicContact CG2-CG2 3.63Å; E327-V370 HydrophobicContact CB-CB 4.47Å; E327-V370 HydrophobicContact CB-CG1 3.74Å; E327-V370 HydrophobicContact CG-CG1 4.08Å; R330-V370 WeakPolarHBondContact CD-O 3.3Å; R330-V370 WeakPolarHBondContact CG-O 3.08Å; F367-V370 HydrophobicContact CB-CG2 4.19Å; F367-V370 HydrophobicContact CD1-CG2 4.47Å; F367-V370 VanDerWaalsContact O-CG2 3.25Å; F367-V370 WeakPolarHBondContact O-CG2 3.46Å; F367-V370 PolarHBondContact O-N 2.99Å; F367-V370 VanDerWaalsContact O-N 3.1Å
371	A	98	Very high	91.1	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.115	C	C	.	.			trans	-110	154	177.9	0	0	0	0	0	112.8	V348 F367 I374 K409	V348-A371 HydrophobicContact CB-CB 4.49Å; V348-A371 HydrophobicContact CG1-CB 3.9Å; V348-A371 HydrophobicContact CG2-CB 3.78Å; F367-A371 PolarHBondContact O-N 2.75Å; A371-I374 HydrophobicContact CB-CG1 4.33Å; A371-K409 PolarHBondContact O-NZ 3.03Å; A371-K409 VanDerWaalsContact O-NZ 3.15Å
372	D	97.7	Very high	91	Very high	36 Å²	36	21.7 Å²	21.7	19%	0.193	11%	0.106	C	C	.	.	S	Bend	trans	-82.7	-36.9	170	-64.1	-55.6	0	0	0	111	W107 R330 L345 L346	W107-D372 HydrophobicContact CZ2-CB 4.02Å; R330-D372 IonicContact CZ-OD2 2.76Å; R330-D372 IonicContact NH1-OD2 3.66Å; R330-D372 PolarHBondContact NH1-OD2 3.25Å; L345-D372 HydrophobicContact CD1-CB 3.57Å; L346-D372 PolarHBondContact N-OD2 3.29Å; L346-D372 WeakPolarHBondContact O-CB 3.46Å; L346-D372 PolarHBondContact O-N 3.45Å
373	V	98.1	Very high	90.7	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.7	-178.4	-179.8	0	0	0	0	110.8	W107 L345 L346 G347 V348 I375 K409 I437 I439	W107-V373 HydrophobicContact CB-CG2 4.25Å; W107-V373 HydrophobicContact CG-CG2 4.18Å; L345-V373 HydrophobicContact CD1-CB 4.01Å; L345-V373 HydrophobicContact CD1-CG2 3.32Å; L345-V373 HydrophobicContact CD2-CG2 4.49Å; L345-V373 HydrophobicContact CG-CG2 4.49Å; L346-V373 PolarHBondContact O-N 3.24Å; G347-V373 CarbonylContact C-O 3.52Å; G347-V373 VanDerWaalsContact CA-O 3.23Å; G347-V373 WeakPolarHBondContact CA-O 3.11Å; V348-V373 PolarHBondContact N-O 3.02Å; V373-I375 HydrophobicContact CG1-CD1 4.19Å; V373-K409 CarbonylContact C-O 3.46Å; V373-K409 WeakPolarHBondContact CA-O 3.42Å; V373-I437 HydrophobicContact CB-CD1 4.44Å; V373-I437 HydrophobicContact CG1-CD1 4.42Å; V373-I437 HydrophobicContact CG2-CD1 3.43Å; V373-I437 VanDerWaalsContact CG2-CD1 3.43Å; V373-I439 HydrophobicContact CG1-CD1 4.38Å
374	I	96.8	Very high	90.3	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115	176.8	-54.9	169.2	0	0	0	107.7	V348 M364 R368 A371 I376 K409 G411	V348-I374 HydrophobicContact CG2-CB 4.21Å; V348-I374 HydrophobicContact CG2-CG1 4.01Å; V348-I374 HydrophobicContact CG2-CG2 4.18Å; M364-I374 HydrophobicContact CB-CG2 3.55Å; M364-I374 HydrophobicContact CE-CG2 3.81Å; M364-I374 HydrophobicContact CG-CG2 4.48Å; M364-I374 VanDerWaalsContact O-CG2 3.31Å; M364-I374 WeakPolarHBondContact O-CG2 3.49Å; R368-I374 HydrophobicContact CB-CD1 3.47Å; R368-I374 VanDerWaalsContact CB-CD1 3.47Å; A371-I374 HydrophobicContact CB-CG1 4.33Å; I374-I376 HydrophobicContact CG2-CG2 4.45Å; I374-I376 PolarHBondContact O-N 3.02Å; I374-K409 PolarHBondContact N-O 2.61Å; I374-G411 PolarHBondContact O-N 3.4Å
375	I	96.3	Very high	89.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	102.3	174.4	-53.1	-55.2	0	0	0	108.4	W114 L288 V348 N349 V373 T413 T416 I439	W114-I375 HydrophobicContact CZ3-CD1 4.48Å; W114-I375 HydrophobicContact CZ3-CG1 4.27Å; W114-I375 HydrophobicContact CZ3-CG2 4.47Å; L288-I375 HydrophobicContact CD1-CG1 4.15Å; V348-I375 WeakPolarHBondContact O-CG1 3.27Å; V348-I375 PolarHBondContact O-N 3.26Å; N349-I375 HydrophobicContact CB-CB 4.28Å; N349-I375 HydrophobicContact CB-CG1 3.98Å; V373-I375 HydrophobicContact CG1-CD1 4.19Å; I375-T413 HydrophobicContact CG2-CG2 3.85Å; I375-T416 HydrophobicContact CG2-CG2 4.01Å; I375-I439 HydrophobicContact CD1-CD1 3.45Å; I375-I439 VanDerWaalsContact CD1-CD1 3.45Å
376	I	92.5	Very high	88.6	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	147.8	175.8	65.1	167.6	0	0	0	109.9	I374 E378 F379 Y399 L410 G411 L412	I374-I376 HydrophobicContact CG2-CG2 4.45Å; I374-I376 PolarHBondContact O-N 3.02Å; I376-E378 HydrophobicContact CB-CG 4.46Å; I376-E378 HydrophobicContact CD1-CB 3.88Å; I376-E378 HydrophobicContact CD1-CG 3.72Å; I376-E378 HydrophobicContact CG1-CB 4.38Å; I376-E378 HydrophobicContact CG1-CG 4.36Å; I376-F379 HydrophobicContact CD1-CE2 4.37Å; I376-Y399 HydrophobicContact CD1-CD2 3.94Å; I376-Y399 HydrophobicContact CD1-CE2 4.46Å; I376-L410 HydrophobicContact CD1-CB 4.07Å; I376-L410 HydrophobicContact CD1-CD1 4.01Å; I376-L410 HydrophobicContact CG1-CB 4.31Å; I376-L410 HydrophobicContact CG2-CB 4Å; I376-L410 HydrophobicContact CG2-CD1 4.3Å; I376-L410 HydrophobicContact CG2-CD2 3.71Å; I376-L410 HydrophobicContact CG2-CG 4.16Å; I376-G411 PolarHBondContact N-O 2.91Å; I376-G411 VanDerWaalsContact N-O 3.15Å; I376-L412 HydrophobicContact CD1-CD2 3.41Å; I376-L412 VanDerWaalsContact CD1-CD2 3.41Å; I376-L412 HydrophobicContact CG1-CD2 3.72Å
377	R	88.5	Confident	87.3	Confident	8 Å²	8	19.9 Å²	19.9	3%	0.03	10%	0.096	C	C	.	.	S	Bend	trans	-92.9	-0.1	-175.1	-62.9	173.5	-68.6	161.4	4.2	112.4	Y318 T353 D356 D362 P363 F379 L380 R383	Y318-R377 PolarHBondContact OH-NH1 3.43Å; Y318-R377 PolarHBondContact OH-NH2 3Å; T353-R377 PolarHBondContact OG1-NH1 3.09Å; D356-R377 PolarHBondContact O-NH1 3.16Å; D362-R377 IonicContact OD1-CZ 3.62Å; D362-R377 IonicContact OD1-NE 2.79Å; D362-R377 PolarHBondContact OD1-NE 3Å; D362-R377 IonicContact OD1-NH2 3.63Å; D362-R377 PolarHBondContact OD1-NH2 3.06Å; D362-R377 PolarHBondContact OD2-N 2.84Å; D362-R377 IonicContact OD2-NE 2.75Å; P363-R377 VanDerWaalsContact CD-NH2 3.34Å; R377-F379 VanDerWaalsContact C-N 3.28Å; R377-F379 PolarHBondContact O-N 3.47Å; R377-F379 VanDerWaalsContact O-N 3.15Å; R377-L380 HydrophobicContact CB-CD1 3.78Å; R377-L380 HydrophobicContact CB-CG 4.37Å; R377-L380 HydrophobicContact CG-CD1 3.69Å; R377-L380 WeakPolarHBondContact O-CB 2.9Å; R377-L380 PolarHBondContact O-N 2.92Å; R377-R383 HydrophobicContact CB-CB 4.35Å; R377-R383 HydrophobicContact CB-CG 4.24Å; R377-R383 WeakPolarHBondContact O-CB 3.28Å
378	E	86.1	Confident	85.3	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.019	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-39.1	-174.6	-67.2	-62.5	166.5	0	0	115	I376 G384 K398 Y402	I376-E378 HydrophobicContact CB-CG 4.46Å; I376-E378 HydrophobicContact CD1-CB 3.88Å; I376-E378 HydrophobicContact CD1-CG 3.72Å; I376-E378 HydrophobicContact CG1-CB 4.38Å; I376-E378 HydrophobicContact CG1-CG 4.36Å; E378-G384 WeakPolarHBondContact OE2-CA 3.43Å; E378-K398 VanDerWaalsContact OE1-CB 3.27Å; E378-K398 WeakPolarHBondContact OE1-CB 3.19Å; E378-K398 WeakPolarHBondContact OE1-CD 3.28Å; E378-K398 VanDerWaalsContact OE2-CB 3.22Å; E378-K398 WeakPolarHBondContact OE2-CB 3.32Å; E378-Y402 HydrophobicContact CG-CE2 4.05Å; E378-Y402 PolarHBondContact OE1-OH 3.11Å
379	F	89.2	Confident	83.3	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-4.9	-177.3	-63.9	-69.6	0	0	0	113.2	I376 R377 K386 T396 Y399 L412 T413 A430 L434	I376-F379 HydrophobicContact CD1-CE2 4.37Å; R377-F379 VanDerWaalsContact C-N 3.28Å; R377-F379 PolarHBondContact O-N 3.47Å; R377-F379 VanDerWaalsContact O-N 3.15Å; F379-K386 PolarHBondContact O-NZ 3.49Å; F379-T396 HydrophobicContact CE1-CG2 4.43Å; F379-Y399 AromaticContact CE2-CD2 3.93Å; F379-Y399 HydrophobicContact CE2-CD2 3.93Å; F379-Y399 HydrophobicContact CE2-CE2 4.34Å; F379-Y399 HydrophobicContact CE2-CG 4.36Å; F379-Y399 HydrophobicContact CZ-CD2 4.12Å; F379-Y399 HydrophobicContact CZ-CG 4.09Å; F379-L412 HydrophobicContact CD2-CB 4.17Å; F379-L412 HydrophobicContact CD2-CD2 4.12Å; F379-L412 HydrophobicContact CE2-CB 4.36Å; F379-L412 HydrophobicContact CE2-CD1 3.95Å; F379-L412 HydrophobicContact CE2-CD2 3.82Å; F379-L412 HydrophobicContact CE2-CG 4.27Å; F379-T413 VanDerWaalsContact CB-O 3.32Å; F379-T413 WeakPolarHBondContact CB-O 3.47Å; F379-A430 HydrophobicContact CD1-CB 4.05Å; F379-A430 HydrophobicContact CE1-CB 3.51Å; F379-A430 HydrophobicContact CZ-CB 4.22Å; F379-L434 HydrophobicContact CE1-CD1 4.37Å; F379-L434 HydrophobicContact CZ-CD1 3.9Å
380	L	87.9	Confident	81.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-71.7	157.2	177.2	-58.4	-179.4	0	0	0	111.7	R377 R383 K386 T413 V414 T416 F419	R377-L380 HydrophobicContact CB-CD1 3.78Å; R377-L380 HydrophobicContact CB-CG 4.37Å; R377-L380 HydrophobicContact CG-CD1 3.69Å; R377-L380 WeakPolarHBondContact O-CB 2.9Å; R377-L380 PolarHBondContact O-N 2.92Å; L380-R383 HydrophobicContact CB-CB 4.11Å; L380-R383 HydrophobicContact CB-CG 3.89Å; L380-R383 PolarHBondContact O-N 3.25Å; L380-K386 WeakPolarHBondContact O-CE 3.36Å; L380-K386 PolarHBondContact O-NZ 2.98Å; L380-T413 HydrophobicContact CD2-CG2 4.14Å; L380-V414 VanDerWaalsContact CD2-C 3.47Å; L380-T416 HydrophobicContact CD1-CG2 4.32Å; L380-T416 HydrophobicContact CD2-CG2 4.09Å; L380-F419 HydrophobicContact CD1-CB 3.95Å; L380-F419 HydrophobicContact CD1-CD1 4.08Å; L380-F419 HydrophobicContact CD1-CD2 3.66Å; L380-F419 HydrophobicContact CD1-CE2 4.18Å; L380-F419 HydrophobicContact CD1-CG 3.63Å; L380-F419 HydrophobicContact CD2-CB 4.22Å
381	P	80.8	Confident	79.1	Confident	9 Å²	9	26.2 Å²	26.2	6%	0.058	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	140.1	177.4	-23.8	34.6	0	0	0	112.5	R383 P420 R422	P381-R383 WeakPolarHBondContact O-CG 3.18Å; P381-R383 PolarHBondContact O-N 3.42Å; P381-P420 WeakPolarHBondContact CG-O 3.31Å; P381-R422 HydrophobicContact CB-CB 4.37Å; P381-R422 HydrophobicContact CB-CG 3.6Å; P381-R422 HydrophobicContact CG-CB 4.08Å; P381-R422 HydrophobicContact CG-CG 3.5Å
382	N	77.5	Confident	76.8	Confident	59 Å²	59	29 Å²	29	32%	0.316	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	19.9	-179.7	-53.2	-29.2	0	0	0	114.4	W354 L357 E387	W354-N382 HydrophobicContact CZ3-CB 4.34Å; L357-N382 WeakPolarHBondContact CD2-O 3.39Å; N382-E387 WeakPolarHBondContact O-CA 2.99Å
383	R	79	Confident	74.8	Confident	6 Å²	6	32.7 Å²	32.7	2%	0.023	17%	0.174	C	C	.	.			trans	-118.2	172.9	177.2	-62	-53.4	-167.8	150.5	17.1	111.5	T353 W354 D356 L357 R377 L380 P381 C385 K386 F419	T353-R383 PolarHBondContact O-NH2 2.63Å; W354-R383 VanDerWaalsContact O-CZ 3.29Å; W354-R383 PolarHBondContact O-NH1 2.78Å; W354-R383 PolarHBondContact O-NH2 3.06Å; W354-R383 VanDerWaalsContact O-NH2 3.14Å; D356-R383 VanDerWaalsContact C-NH1 3.25Å; D356-R383 PolarHBondContact O-NH1 3.3Å; L357-R383 VanDerWaalsContact CD2-CD 3.49Å; R377-R383 HydrophobicContact CB-CB 4.35Å; R377-R383 HydrophobicContact CB-CG 4.24Å; R377-R383 WeakPolarHBondContact O-CB 3.28Å; L380-R383 HydrophobicContact CB-CB 4.11Å; L380-R383 HydrophobicContact CB-CG 3.89Å; L380-R383 PolarHBondContact O-N 3.25Å; P381-R383 WeakPolarHBondContact O-CG 3.18Å; P381-R383 PolarHBondContact O-N 3.42Å; R383-C385 PolarHBondContact O-N 3.15Å; R383-K386 VanDerWaalsContact O-CB 3.25Å; R383-K386 WeakPolarHBondContact O-CB 3.42Å; R383-K386 PolarHBondContact O-N 3.09Å; R383-F419 VanDerWaalsContact NH2-CZ 3.29Å
384	G	76.7	Confident	73.1	Confident	7 Å²	7	33.4 Å²	33.4	7%	0.072	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	58.9	-119.7	-178	0	0	0	0	0	112.3	E378 K386 E387 K398	E378-G384 WeakPolarHBondContact OE2-CA 3.43Å; G384-K386 PolarHBondContact O-N 3.14Å; G384-E387 WeakPolarHBondContact O-CB 3.11Å; G384-K398 VanDerWaalsContact O-CE 3.3Å; G384-K398 WeakPolarHBondContact O-CE 3.35Å
385	C	73.4	Confident	71.9	Confident	10 Å²	10	34.7 Å²	34.7	7%	0.068	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-77.4	-8.8	178.3	-57.2	0	0	0	0	114.2	R383 K393 N394 C397 K398	R383-C385 PolarHBondContact O-N 3.15Å; C385-K393 HydrophobicContact CB-CB 4.23Å; C385-N394 WeakPolarHBondContact CB-O 3.49Å; C385-N394 PolarHBondContact SG-O 3.17Å; C385-C397 HydrophobicContact CB-CB 4.21Å; C385-C397 WeakPolarHBondContact CB-SG 2.97Å; C385-C397 WeakPolarHBondContact SG-CA 3.28Å; C385-C397 WeakPolarHBondContact SG-CB 3.35Å; C385-C397 PolarHBondContact SG-N 3.17Å; C385-C397 CovalentContact SG-SG 2.03Å; C385-C397 PolarHBondContact SG-SG 2.84Å; C385-K398 PolarHBondContact SG-N 2.79Å
386	K	71.4	Confident	70.9	Confident	20 Å²	20	34.8 Å²	34.8	9%	0.087	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-90.4	-9.9	-178.7	-57.4	171.1	-94.5	-174.6	0	113.1	F379 L380 R383 G384 N388 D424 S427	F379-K386 PolarHBondContact O-NZ 3.49Å; L380-K386 WeakPolarHBondContact O-CE 3.36Å; L380-K386 PolarHBondContact O-NZ 2.98Å; R383-K386 VanDerWaalsContact O-CB 3.25Å; R383-K386 WeakPolarHBondContact O-CB 3.42Å; R383-K386 PolarHBondContact O-N 3.09Å; G384-K386 PolarHBondContact O-N 3.14Å; K386-N388 PolarHBondContact O-N 2.82Å; K386-D424 IonicContact NZ-OD2 3.15Å; K386-D424 PolarHBondContact NZ-OD2 2.82Å; K386-S427 PolarHBondContact NZ-OG 3.33Å
387	E	62.7	Low	70	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.103	20%	0.201	C	C	.	.	S	Bend	trans	-55.1	-39.1	-169.9	-166	-161.1	144.5	0	0	115.5	L357 T358 N382 G384 K398	L357-E387 HydrophobicContact CB-CG 3.48Å; L357-E387 VanDerWaalsContact CB-CG 3.48Å; L357-E387 VanDerWaalsContact CB-OE1 3.3Å; L357-E387 WeakPolarHBondContact CB-OE1 3.48Å; L357-E387 HydrophobicContact CD1-CG 4.42Å; L357-E387 HydrophobicContact CD2-CG 3.6Å; L357-E387 HydrophobicContact CG-CG 4Å; T358-E387 PolarHBondContact N-OE1 3.32Å; N382-E387 WeakPolarHBondContact O-CA 2.99Å; G384-E387 WeakPolarHBondContact O-CB 3.11Å; E387-K398 IonicContact OE2-NZ 2.69Å; E387-K398 PolarHBondContact OE2-NZ 2.89Å
388	N	54	Low	69.5	Low	99 Å²	99	38 Å²	38	53%	0.529	21%	0.205	S	C	.	.	S	Bend	trans	-119.8	-8.2	-176.7	-69	-27.6	0	0	0	113.6	K386	K386-N388 PolarHBondContact O-N 2.82Å
389	F	51.7	Low	69.5	Low	106 Å²	106	37.8 Å²	37.8	47%	0.465	20%	0.204	S	C	.	.			trans	-150.7	104.7	-175.2	-65.7	-84.6	0	0	0	108.2	T391 T392	F389-T391 PolarHBondContact O-N 2.75Å; F389-T392 WeakPolarHBondContact CB-OG1 3.41Å; F389-T392 WeakPolarHBondContact CG-OG1 3.31Å
390	P	51.7	Low	69.1	Low	84 Å²	84	41.2 Å²	41.2	55%	0.545	22%	0.22	S	C	.	.	S	Bend	trans	-60.5	-16.2	176.8	20.1	-29	0	0	0	112.6	R581	P390-R581 PolarHBondContact O-NH1 2.79Å; P390-R581 PolarHBondContact O-NH2 3.23Å
391	T	50.5	Low	68.8	Low	72 Å²	72	45.2 Å²	45.2	44%	0.442	25%	0.248	S	C	.	.	S	Bend	trans	-124.8	-20	-163.5	48.5	0	0	0	0	117.4	F389 Y561	F389-T391 PolarHBondContact O-N 2.75Å; T391-Y561 WeakPolarHBondContact O-CD1 3.27Å; T391-Y561 WeakPolarHBondContact O-CE1 3.36Å
392	T	49.6	Very low	69.2	Low	59 Å²	59	45.4 Å²	45.4	36%	0.362	25%	0.247	S	C	.	.	S	Bend	trans	-111.2	-6.7	-160.4	60.2	0	0	0	0	118.6	F389	F389-T392 WeakPolarHBondContact CB-OG1 3.41Å; F389-T392 WeakPolarHBondContact CG-OG1 3.31Å
393	K	55.8	Low	69.5	Low	114 Å²	114	48 Å²	48	50%	0.496	26%	0.258	S	S	.	.	S	Bend	trans	-115.5	151.6	-177.8	-73	-170	178	-175.3	0	114.1	C385 L395	C385-K393 HydrophobicContact CB-CB 4.23Å; K393-L395 PolarHBondContact O-N 2.79Å
394	N	63.8	Low	69.7	Low	19 Å²	19	51.1 Å²	51.1	10%	0.102	28%	0.275	C	S	.	.			trans	-46.4	130.9	167.9	174.1	-3.5	0	0	0	110.5	C385 T396 C397 E550	C385-N394 WeakPolarHBondContact CB-O 3.49Å; C385-N394 PolarHBondContact SG-O 3.17Å; N394-T396 PolarHBondContact O-N 2.85Å; N394-T396 PolarHBondContact OD1-N 3.01Å; N394-T396 PolarHBondContact OD1-OG1 3.01Å; N394-C397 HydrophobicContact CB-CB 4.32Å; N394-C397 PolarHBondContact O-N 2.81Å; N394-E550 PolarHBondContact ND2-OE1 2.74Å
395	L	71.2	Confident	70	Confident	29 Å²	29	54.4 Å²	54.4	15%	0.152	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30	-179.7	-174.7	71.4	0	0	0	113.7	K393 L426 S427 A430 L579	K393-L395 PolarHBondContact O-N 2.79Å; L395-L426 HydrophobicContact CD1-CB 4.46Å; L395-L426 HydrophobicContact CD2-CB 3.99Å; L395-L426 WeakPolarHBondContact CD2-O 3.4Å; L395-S427 WeakPolarHBondContact CD1-OG 3.34Å; L395-A430 HydrophobicContact CD2-CB 3.65Å; L395-L579 HydrophobicContact CD2-CD1 3.73Å
396	T	74.8	Confident	70.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	10.4	-170.5	66.5	0	0	0	0	114.4	F379 N394 K398 Y399 H400 L434 F565	F379-T396 HydrophobicContact CE1-CG2 4.43Å; N394-T396 PolarHBondContact O-N 2.85Å; N394-T396 PolarHBondContact OD1-N 3.01Å; N394-T396 PolarHBondContact OD1-OG1 3.01Å; T396-K398 VanDerWaalsContact C-N 3.32Å; T396-K398 PolarHBondContact O-N 2.76Å; T396-K398 VanDerWaalsContact O-N 3.12Å; T396-Y399 PolarHBondContact O-N 3.25Å; T396-Y399 VanDerWaalsContact O-N 3.1Å; T396-H400 WeakPolarHBondContact O-CB 3.11Å; T396-H400 PolarHBondContact O-N 3.01Å; T396-L434 HydrophobicContact CG2-CD1 3.56Å; T396-F565 HydrophobicContact CG2-CE1 4.17Å; T396-F565 HydrophobicContact CG2-CE2 4.33Å; T396-F565 HydrophobicContact CG2-CZ 3.62Å; T396-F565 VanDerWaalsContact OG1-CE1 3.3Å; T396-F565 WeakPolarHBondContact OG1-CE1 3.33Å; T396-F565 VanDerWaalsContact OG1-CZ 3.27Å; T396-F565 WeakPolarHBondContact OG1-CZ 3.21Å
397	C	73.2	Confident	71.6	Confident	50 Å²	50	57 Å²	57	34%	0.338	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-41.8	-172.3	77	0	0	0	0	115.5	C385 N394	C385-C397 HydrophobicContact CB-CB 4.21Å; C385-C397 WeakPolarHBondContact CB-SG 2.97Å; C385-C397 WeakPolarHBondContact SG-CA 3.28Å; C385-C397 WeakPolarHBondContact SG-CB 3.35Å; C385-C397 PolarHBondContact SG-N 3.17Å; C385-C397 CovalentContact SG-SG 2.03Å; C385-C397 PolarHBondContact SG-SG 2.84Å; N394-C397 HydrophobicContact CB-CB 4.32Å; N394-C397 PolarHBondContact O-N 2.81Å
398	K	78.2	Confident	72.9	Confident	25 Å²	25	58.5 Å²	58.5	11%	0.109	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-45.1	175.9	-70.8	-168.1	-169.8	178.9	0	111.2	E378 G384 C385 E387 T396 H400 S401	E378-K398 VanDerWaalsContact OE1-CB 3.27Å; E378-K398 WeakPolarHBondContact OE1-CB 3.19Å; E378-K398 WeakPolarHBondContact OE1-CD 3.28Å; E378-K398 VanDerWaalsContact OE2-CB 3.22Å; E378-K398 WeakPolarHBondContact OE2-CB 3.32Å; G384-K398 VanDerWaalsContact O-CE 3.3Å; G384-K398 WeakPolarHBondContact O-CE 3.35Å; C385-K398 PolarHBondContact SG-N 2.79Å; E387-K398 IonicContact OE2-NZ 2.69Å; E387-K398 PolarHBondContact OE2-NZ 2.89Å; T396-K398 VanDerWaalsContact C-N 3.32Å; T396-K398 PolarHBondContact O-N 2.76Å; T396-K398 VanDerWaalsContact O-N 3.12Å; K398-H400 PolarHBondContact O-N 3.34Å; K398-S401 WeakPolarHBondContact O-CB 3.42Å; K398-S401 PolarHBondContact O-N 2.76Å; K398-S401 PolarHBondContact O-OG 3.11Å
399	Y	86.5	Confident	74.9	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-53.2	-38.5	177	173.3	-89	0	0	0	113.2	I376 F379 T396 S401 Y402 K407 L410 L412 L434 P435 M548	I376-Y399 HydrophobicContact CD1-CD2 3.94Å; I376-Y399 HydrophobicContact CD1-CE2 4.46Å; F379-Y399 AromaticContact CE2-CD2 3.93Å; F379-Y399 HydrophobicContact CE2-CD2 3.93Å; F379-Y399 HydrophobicContact CE2-CE2 4.34Å; F379-Y399 HydrophobicContact CE2-CG 4.36Å; F379-Y399 HydrophobicContact CZ-CD2 4.12Å; F379-Y399 HydrophobicContact CZ-CG 4.09Å; T396-Y399 PolarHBondContact O-N 3.25Å; T396-Y399 VanDerWaalsContact O-N 3.1Å; Y399-S401 VanDerWaalsContact C-N 3.25Å; Y399-S401 PolarHBondContact O-N 3.33Å; Y399-Y402 HydrophobicContact CD2-CD2 4.41Å; Y399-Y402 WeakPolarHBondContact O-CB 3.24Å; Y399-Y402 PolarHBondContact O-N 3.46Å; Y399-K407 HydrophobicContact CE1-CD 4.16Å; Y399-K407 HydrophobicContact CE2-CG 4.28Å; Y399-K407 WeakPolarHBondContact OH-CD 3.29Å; Y399-L410 HydrophobicContact CD2-CD1 4.48Å; Y399-L410 HydrophobicContact CE2-CD1 4.23Å; Y399-L412 HydrophobicContact CE2-CD1 4.26Å; Y399-L412 HydrophobicContact CE2-CD2 4.09Å; Y399-L434 HydrophobicContact CD1-CD1 4.11Å; Y399-L434 HydrophobicContact CE1-CB 4.14Å; Y399-L434 HydrophobicContact CE1-CD1 3.9Å; Y399-P435 WeakPolarHBondContact OH-CD 3.22Å; Y399-P435 PolarHBondContact OH-O 3.27Å; Y399-M548 HydrophobicContact CE1-CE 4.33Å; Y399-M548 HydrophobicContact CE1-SD 3.82Å
400	H	81.7	Confident	77	Confident	73 Å²	73	51.8 Å²	51.8	34%	0.338	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-63	-30.1	177.4	-178.6	77.1	0	0	0	113	T396 K398 Y402 E550	T396-H400 WeakPolarHBondContact O-CB 3.11Å; T396-H400 PolarHBondContact O-N 3.01Å; K398-H400 PolarHBondContact O-N 3.34Å; H400-Y402 PolarHBondContact O-N 3.24Å; H400-E550 IonicContact CG-OE2 3.15Å; H400-E550 IonicContact ND1-OE2 2.96Å
401	S	81.7	Confident	79.2	Confident	84 Å²	84	47.8 Å²	47.8	59%	0.587	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12.8	179.6	74.7	0	0	0	0	113.7	K398 Y399	K398-S401 WeakPolarHBondContact O-CB 3.42Å; K398-S401 PolarHBondContact O-N 2.76Å; K398-S401 PolarHBondContact O-OG 3.11Å; Y399-S401 VanDerWaalsContact C-N 3.25Å; Y399-S401 PolarHBondContact O-N 3.33Å
402	Y	87.9	Confident	81.3	Confident	13 Å²	13	44.4 Å²	44.4	5%	0.051	24%	0.236	C	C	.	.	S	Bend	trans	-79.5	140.8	179	-54.6	-29.5	0	0	0	111.5	P361 D362 L365 E378 Y399 H400 K407 L410	P361-Y402 HydrophobicContact CB-CD1 4.46Å; P361-Y402 HydrophobicContact CB-CE1 3.58Å; D362-Y402 PolarHBondContact N-OH 3.22Å; D362-Y402 VanDerWaalsContact N-OH 3.1Å; L365-Y402 HydrophobicContact CD1-CD1 3.95Å; L365-Y402 HydrophobicContact CD1-CE1 3.72Å; E378-Y402 HydrophobicContact CG-CE2 4.05Å; E378-Y402 PolarHBondContact OE1-OH 3.11Å; Y399-Y402 HydrophobicContact CD2-CD2 4.41Å; Y399-Y402 WeakPolarHBondContact O-CB 3.24Å; Y399-Y402 PolarHBondContact O-N 3.46Å; H400-Y402 PolarHBondContact O-N 3.24Å; Y402-K407 WeakPolarHBondContact O-CE 3.41Å; Y402-K407 PolarHBondContact O-NZ 3.03Å; Y402-L410 HydrophobicContact CD2-CD1 3.76Å; Y402-L410 HydrophobicContact CE2-CD1 4.46Å
403	Q	85.1	Confident	83.5	Confident	114 Å²	114	41.6 Å²	41.6	53%	0.533	22%	0.219	S	C	.	.			trans	-64.7	144.9	175.3	-61.9	-177.2	-20.3	0	0	110.8	A405 Y406 K407	Q403-A405 VanDerWaalsContact C-N 3.26Å; Q403-A405 PolarHBondContact O-N 2.82Å; Q403-Y406 HydrophobicContact CB-CD2 3.69Å; Q403-Y406 HydrophobicContact CB-CE2 3.86Å; Q403-Y406 HydrophobicContact CB-CG 4.33Å; Q403-Y406 HydrophobicContact CG-CD2 4.17Å; Q403-Y406 HydrophobicContact CG-CE2 3.91Å; Q403-Y406 PolarHBondContact O-N 3.1Å; Q403-Y406 PolarHBondContact OE1-OH 3.13Å; Q403-Y406 VanDerWaalsContact OE1-OH 3.13Å; Q403-K407 PolarHBondContact O-N 2.81Å
404	D	82.8	Confident	85.2	Confident	72 Å²	72	36.5 Å²	36.5	39%	0.385	20%	0.197	S	C	.	.	H	α-helix	trans	-59.5	-34.7	-177.7	-77.1	-4.2	0	0	0	113.5	Y406 K407	D404-Y406 VanDerWaalsContact C-N 3.26Å; D404-Y406 PolarHBondContact O-N 3.02Å; D404-K407 PolarHBondContact O-N 2.86Å; D404-K407 IonicContact OD1-NZ 3.77Å; D404-K407 PolarHBondContact OD1-NZ 2.84Å
405	A	83	Confident	86.6	Confident	76 Å²	76	35.7 Å²	35.7	63%	0.628	19%	0.193	S	C	*	.	H	α-helix	trans	-59.7	-37.2	175.1	0	0	0	0	0	112.2	Q403	Q403-A405 VanDerWaalsContact C-N 3.26Å; Q403-A405 PolarHBondContact O-N 2.82Å
406	Y	86.4	Confident	87.6	Confident	79 Å²	79	34.3 Å²	34.3	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-77.5	-32	180	-55.5	-33.1	0	0	0	112.5	Q403 D404 Q408 K409 L410	Q403-Y406 HydrophobicContact CB-CD2 3.69Å; Q403-Y406 HydrophobicContact CB-CE2 3.86Å; Q403-Y406 HydrophobicContact CB-CG 4.33Å; Q403-Y406 HydrophobicContact CG-CD2 4.17Å; Q403-Y406 HydrophobicContact CG-CE2 3.91Å; Q403-Y406 PolarHBondContact O-N 3.1Å; Q403-Y406 PolarHBondContact OE1-OH 3.13Å; Q403-Y406 VanDerWaalsContact OE1-OH 3.13Å; D404-Y406 VanDerWaalsContact C-N 3.26Å; D404-Y406 PolarHBondContact O-N 3.02Å; Y406-Q408 PolarHBondContact O-N 2.94Å; Y406-K409 PolarHBondContact O-N 3.32Å; Y406-L410 WeakPolarHBondContact O-CG 3.48Å
407	K	91.8	Very high	88.4	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-53.1	-33.4	179.9	-70	174.5	-175.3	155.4	0	112	Y399 Y402 Q403 D404 K409 L410 P435 G436	Y399-K407 HydrophobicContact CE1-CD 4.16Å; Y399-K407 HydrophobicContact CE2-CG 4.28Å; Y399-K407 WeakPolarHBondContact OH-CD 3.29Å; Y402-K407 WeakPolarHBondContact O-CE 3.41Å; Y402-K407 PolarHBondContact O-NZ 3.03Å; Q403-K407 PolarHBondContact O-N 2.81Å; D404-K407 PolarHBondContact O-N 2.86Å; D404-K407 IonicContact OD1-NZ 3.77Å; D404-K407 PolarHBondContact OD1-NZ 2.84Å; K407-K409 PolarHBondContact O-N 3.44Å; K407-L410 HydrophobicContact CG-CD1 4.35Å; K407-L410 PolarHBondContact O-N 3.49Å; K407-L410 VanDerWaalsContact O-N 3.08Å; K407-P435 HydrophobicContact CB-CB 3.95Å; K407-P435 HydrophobicContact CD-CB 4.17Å; K407-P435 HydrophobicContact CD-CG 4.41Å; K407-G436 WeakPolarHBondContact O-CA 3.38Å
408	Q	90.4	Very high	89.1	Confident	54 Å²	54	32.2 Å²	32.2	25%	0.252	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.3	178.7	-61.7	-60.5	-16.2	0	0	115	N108 Y406 I437	N108-Q408 PolarHBondContact ND2-O 3.25Å; Y406-Q408 PolarHBondContact O-N 2.94Å; Q408-I437 VanDerWaalsContact O-CD1 3.32Å; Q408-I437 WeakPolarHBondContact O-CD1 3.1Å
409	K	94.9	Very high	89.6	Confident	64 Å²	64	31.1 Å²	31.1	28%	0.278	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-3.3	174.3	-65.7	-170.2	170.8	-159.7	0	113.3	R368 A371 V373 I374 Y406 K407 G411	R368-K409 WeakPolarHBondContact O-CD 3.5Å; R368-K409 PolarHBondContact O-NZ 2.8Å; A371-K409 PolarHBondContact O-NZ 3.03Å; A371-K409 VanDerWaalsContact O-NZ 3.15Å; V373-K409 CarbonylContact C-O 3.46Å; V373-K409 WeakPolarHBondContact CA-O 3.42Å; I374-K409 PolarHBondContact N-O 2.61Å; Y406-K409 PolarHBondContact O-N 3.32Å; K407-K409 PolarHBondContact O-N 3.44Å; K409-G411 PolarHBondContact O-N 2.93Å
410	L	96	Very high	89.5	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.8	-173.1	-49.6	-176.3	0	0	0	109.8	L365 I376 Y399 Y402 Y406 K407 L412 I437	L365-L410 HydrophobicContact CD2-CD2 3.73Å; I376-L410 HydrophobicContact CD1-CB 4.07Å; I376-L410 HydrophobicContact CD1-CD1 4.01Å; I376-L410 HydrophobicContact CG1-CB 4.31Å; I376-L410 HydrophobicContact CG2-CB 4Å; I376-L410 HydrophobicContact CG2-CD1 4.3Å; I376-L410 HydrophobicContact CG2-CD2 3.71Å; I376-L410 HydrophobicContact CG2-CG 4.16Å; Y399-L410 HydrophobicContact CD2-CD1 4.48Å; Y399-L410 HydrophobicContact CE2-CD1 4.23Å; Y402-L410 HydrophobicContact CD2-CD1 3.76Å; Y402-L410 HydrophobicContact CE2-CD1 4.46Å; Y406-L410 WeakPolarHBondContact O-CG 3.48Å; K407-L410 HydrophobicContact CG-CD1 4.35Å; K407-L410 PolarHBondContact O-N 3.49Å; K407-L410 VanDerWaalsContact O-N 3.08Å; L410-L412 HydrophobicContact CB-CD2 3.83Å; L410-L412 PolarHBondContact O-N 2.64Å; L410-I437 PolarHBondContact O-N 2.88Å
411	G	97.1	Very high	89.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	115.4	166.5	0	0	0	0	0	109.8	I374 I376 K409 I437	I374-G411 PolarHBondContact O-N 3.4Å; I376-G411 PolarHBondContact N-O 2.91Å; I376-G411 VanDerWaalsContact N-O 3.15Å; K409-G411 PolarHBondContact O-N 2.93Å; G411-I437 CarbonylContact C-O 3.54Å; G411-I437 WeakPolarHBondContact CA-O 3.5Å
412	L	96.1	Very high	89.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114	-176.6	-50.5	-167.6	0	0	0	109.4	I376 F379 Y399 L410 L434 P435 I437 I439	I376-L412 HydrophobicContact CD1-CD2 3.41Å; I376-L412 VanDerWaalsContact CD1-CD2 3.41Å; I376-L412 HydrophobicContact CG1-CD2 3.72Å; F379-L412 HydrophobicContact CD2-CB 4.17Å; F379-L412 HydrophobicContact CD2-CD2 4.12Å; F379-L412 HydrophobicContact CE2-CB 4.36Å; F379-L412 HydrophobicContact CE2-CD1 3.95Å; F379-L412 HydrophobicContact CE2-CD2 3.82Å; F379-L412 HydrophobicContact CE2-CG 4.27Å; Y399-L412 HydrophobicContact CE2-CD1 4.26Å; Y399-L412 HydrophobicContact CE2-CD2 4.09Å; L410-L412 HydrophobicContact CB-CD2 3.83Å; L410-L412 PolarHBondContact O-N 2.64Å; L412-L434 HydrophobicContact CD1-CB 4.46Å; L412-P435 WeakPolarHBondContact CD1-O 3.31Å; L412-I437 PolarHBondContact N-O 2.99Å; L412-I439 PolarHBondContact O-N 2.74Å
413	T	95	Very high	89.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.			trans	-142.9	156.5	178.1	-176.8	0	0	0	0	111.2	I375 F379 L380 S415 T416 I439	I375-T413 HydrophobicContact CG2-CG2 3.85Å; F379-T413 VanDerWaalsContact CB-O 3.32Å; F379-T413 WeakPolarHBondContact CB-O 3.47Å; L380-T413 HydrophobicContact CD2-CG2 4.14Å; T413-S415 WeakPolarHBondContact CG2-O 3.45Å; T413-S415 PolarHBondContact OG1-N 3Å; T413-S415 PolarHBondContact OG1-O 2.89Å; T413-T416 HydrophobicContact CG2-CG2 3.74Å; T413-I439 WeakPolarHBondContact CA-O 3.32Å; T413-I439 VanDerWaalsContact CB-O 3.26Å; T413-I439 WeakPolarHBondContact CB-O 3.26Å; T413-I439 PolarHBondContact OG1-O 2.84Å
414	V	92.5	Very high	89.4	Confident	8 Å²	8	27.9 Å²	27.9	5%	0.048	14%	0.14	C	C	.	.	S	Bend	trans	-99.6	-6.4	176	-60.9	0	0	0	0	113.3	L380 S427 L428 A444	L380-V414 VanDerWaalsContact CD2-C 3.47Å; V414-S427 VanDerWaalsContact CG1-C 3.49Å; V414-L428 HydrophobicContact CG1-CB 4.05Å; V414-L428 HydrophobicContact CG1-CD1 4.47Å; V414-L428 HydrophobicContact CG2-CD1 4.1Å; V414-A444 HydrophobicContact CG2-CB 3.94Å
415	S	92.1	Very high	89.7	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.014	13%	0.125	C	C	.	.			trans	-156.1	155.9	-179	-175.3	0	0	0	0	109.8	T413 F419 S421 Y441	T413-S415 WeakPolarHBondContact CG2-O 3.45Å; T413-S415 PolarHBondContact OG1-N 3Å; T413-S415 PolarHBondContact OG1-O 2.89Å; S415-F419 CarbonylContact C-O 3.5Å; S415-F419 WeakPolarHBondContact CA-O 3.37Å; S415-F419 WeakPolarHBondContact CB-O 3.22Å; S415-F419 PolarHBondContact OG-O 3.33Å; S415-S421 PolarHBondContact OG-N 2.98Å; S415-S421 VanDerWaalsContact OG-N 3.15Å; S415-Y441 WeakPolarHBondContact O-CB 3.35Å; S415-Y441 WeakPolarHBondContact OG-CD1 3.3Å
416	T	93.5	Very high	90.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.097	C	C	.	.			trans	-145.1	-176.9	177	63.8	0	0	0	0	108.9	W114 I375 L380 T413 S418 F419 S480	W114-T416 HydrophobicContact CE3-CG2 4.47Å; W114-T416 HydrophobicContact CH2-CG2 4.16Å; W114-T416 HydrophobicContact CZ3-CG2 3.68Å; I375-T416 HydrophobicContact CG2-CG2 4.01Å; L380-T416 HydrophobicContact CD1-CG2 4.32Å; L380-T416 HydrophobicContact CD2-CG2 4.09Å; T413-T416 HydrophobicContact CG2-CG2 3.74Å; T416-S418 VanDerWaalsContact C-N 3.25Å; T416-S418 PolarHBondContact O-N 2.73Å; T416-S418 PolarHBondContact OG1-N 2.95Å; T416-F419 PolarHBondContact N-O 3.42Å; T416-F419 PolarHBondContact O-N 3.31Å; T416-F419 WeakPolarHBondContact OG1-CB 3.17Å; T416-F419 WeakPolarHBondContact OG1-CD2 3.26Å; T416-F419 PolarHBondContact OG1-N 3.45Å; T416-F419 VanDerWaalsContact OG1-N 3.07Å; T416-S480 WeakPolarHBondContact O-CB 3.44Å; T416-S480 PolarHBondContact O-OG 2.95Å
417	S	91.3	Very high	90.3	Very high	6 Å²	6	18 Å²	18	4%	0.042	8%	0.082	C	C	.	.	S	Bend	trans	-51.5	-41.6	168.8	44.3	0	0	0	0	112.7	D290 S480 H481	D290-S417 PolarHBondContact OD2-OG 3.33Å; D290-S417 VanDerWaalsContact OD2-OG 3.04Å; S417-S480 WeakPolarHBondContact O-CB 3.37Å; S417-S480 PolarHBondContact O-OG 2.88Å; S417-H481 PolarHBondContact O-NE2 3.28Å; S417-H481 VanDerWaalsContact O-NE2 3.14Å
418	S	87.6	Confident	90.4	Very high	1 Å²	1	18 Å²	18	1%	0.007	8%	0.082	C	C	.	.	S	Bend	trans	-101.6	-4.8	-176.4	-42.5	0	0	0	0	115.1	D352 W354 T416	D352-S418 PolarHBondContact N-OG 2.93Å; W354-S418 PolarHBondContact NE1-O 3.4Å; T416-S418 VanDerWaalsContact C-N 3.25Å; T416-S418 PolarHBondContact O-N 2.73Å; T416-S418 PolarHBondContact OG1-N 2.95Å
419	F	87.3	Confident	90.6	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	7%	0.07	C	C	.	.	S	Bend	trans	-128.1	105	-177.6	-68.6	-90.9	0	0	0	110.4	G351 W354 L380 R383 S415 T416 S480	G351-F419 WeakPolarHBondContact O-CE2 3.18Å; W354-F419 AromaticContact CD1-CE1 3.81Å; W354-F419 AromaticContact CD2-CD1 3.98Å; W354-F419 HydrophobicContact CD2-CD1 3.98Å; W354-F419 AromaticContact CD2-CE1 3.49Å; W354-F419 HydrophobicContact CD2-CE1 3.49Å; W354-F419 VanDerWaalsContact CD2-CE1 3.49Å; W354-F419 HydrophobicContact CD2-CZ 4.37Å; W354-F419 AromaticContact CE2-CD1 3.32Å; W354-F419 AromaticContact CE2-CE1 3.34Å; W354-F419 HydrophobicContact CE3-CE1 4.01Å; W354-F419 AromaticContact CG-CE1 3.82Å; W354-F419 HydrophobicContact CG-CE1 3.82Å; W354-F419 HydrophobicContact CG-CZ 4.25Å; W354-F419 AromaticContact CH2-CD1 3.93Å; W354-F419 HydrophobicContact CH2-CD1 3.93Å; W354-F419 HydrophobicContact CH2-CE1 4.24Å; W354-F419 AromaticContact CZ2-CD1 3.32Å; W354-F419 HydrophobicContact CZ2-CD1 3.32Å; W354-F419 AromaticContact CZ2-CE1 3.77Å; W354-F419 HydrophobicContact CZ2-CE1 3.77Å; W354-F419 HydrophobicContact CZ2-CG 4.28Å; W354-F419 HydrophobicContact CZ3-CD1 4.48Å; W354-F419 HydrophobicContact CZ3-CE1 4.36Å; W354-F419 AromaticContact NE1-CD1 3.57Å; W354-F419 AromaticContact NE1-CE1 3.53Å; L380-F419 HydrophobicContact CD1-CB 3.95Å; L380-F419 HydrophobicContact CD1-CD1 4.08Å; L380-F419 HydrophobicContact CD1-CD2 3.66Å; L380-F419 HydrophobicContact CD1-CE2 4.18Å; L380-F419 HydrophobicContact CD1-CG 3.63Å; L380-F419 HydrophobicContact CD2-CB 4.22Å; R383-F419 VanDerWaalsContact NH2-CZ 3.29Å; S415-F419 CarbonylContact C-O 3.5Å; S415-F419 WeakPolarHBondContact CA-O 3.37Å; S415-F419 WeakPolarHBondContact CB-O 3.22Å; S415-F419 PolarHBondContact OG-O 3.33Å; T416-F419 PolarHBondContact N-O 3.42Å; T416-F419 PolarHBondContact O-N 3.31Å; T416-F419 WeakPolarHBondContact OG1-CB 3.17Å; T416-F419 WeakPolarHBondContact OG1-CD2 3.26Å; T416-F419 PolarHBondContact OG1-N 3.45Å; T416-F419 VanDerWaalsContact OG1-N 3.07Å; F419-S480 PolarHBondContact N-OG 2.91Å
420	P	85.9	Confident	90.6	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	6%	0.057	C	C	.	.			trans	-75	149.7	-175.5	31.5	-39.7	0	0	0	112.7	P381 L479 S480	P381-P420 WeakPolarHBondContact CG-O 3.31Å; P420-L479 HydrophobicContact CB-CB 3.68Å; P420-L479 HydrophobicContact CG-CB 3.78Å; P420-L479 HydrophobicContact CG-CD1 4.36Å; P420-S480 WeakPolarHBondContact CA-OG 3.47Å
421	S	83.3	Confident	90.5	Very high	12 Å²	12	12.3 Å²	12.3	8%	0.084	6%	0.057	C	C	.	.			trans	-62.4	146.7	175.3	172.1	0	0	0	0	113.4	S415 K423 M448 S450	S415-S421 PolarHBondContact OG-N 2.98Å; S415-S421 VanDerWaalsContact OG-N 3.15Å; S421-K423 PolarHBondContact OG-N 3.21Å; S421-M448 VanDerWaalsContact CB-O 3.26Å; S421-M448 WeakPolarHBondContact CB-O 3.45Å; S421-M448 PolarHBondContact OG-O 3.14Å; S421-S450 PolarHBondContact O-N 3.01Å
422	R	83.2	Confident	90.4	Very high	97 Å²	97	12.3 Å²	12.3	37%	0.366	6%	0.057	S	C	.	.	B	Isolated β-bridge	trans	-122.9	23.9	174.4	-61.5	-67.4	-169.3	166.1	3.2	113.7	P381 D424 S450 D474	P381-R422 HydrophobicContact CB-CB 4.37Å; P381-R422 HydrophobicContact CB-CG 3.6Å; P381-R422 HydrophobicContact CG-CB 4.08Å; P381-R422 HydrophobicContact CG-CG 3.5Å; R422-D424 PolarHBondContact O-N 3.22Å; R422-S450 PolarHBondContact NH1-OG 2.71Å; R422-D474 PolarHBondContact NH2-O 3.14Å
423	K	81.3	Confident	90.3	Very high	77 Å²	77	12.3 Å²	12.3	34%	0.335	6%	0.057	S	C	.	.			trans	54.6	37.4	-176.5	-163	172.9	-173.6	152.9	0	112.9	S421 V425 G447 A449 E513	S421-K423 PolarHBondContact OG-N 3.21Å; K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.82Å; K423-G447 VanDerWaalsContact CD-O 3.3Å; K423-G447 WeakPolarHBondContact CD-O 3.39Å; K423-G447 WeakPolarHBondContact CG-O 3.49Å; K423-A449 HydrophobicContact CB-CB 4.46Å; K423-E513 IonicContact NZ-OE1 3.57Å; K423-E513 PolarHBondContact NZ-OE1 3.46Å
424	D	86	Confident	90.3	Very high	30 Å²	30	12.3 Å²	12.3	16%	0.16	6%	0.057	C	C	.	.			trans	-81.2	80.3	177.7	-172.5	-10.9	0	0	0	110.4	K386 R422 L426 S427 L428	K386-D424 IonicContact NZ-OD2 3.15Å; K386-D424 PolarHBondContact NZ-OD2 2.82Å; R422-D424 PolarHBondContact O-N 3.22Å; D424-L426 PolarHBondContact O-N 3.27Å; D424-L426 PolarHBondContact OD1-N 2.9Å; D424-S427 VanDerWaalsContact CG-CB 3.47Å; D424-S427 PolarHBondContact O-N 3.16Å; D424-S427 PolarHBondContact OD1-N 2.97Å; D424-S427 PolarHBondContact OD1-OG 2.89Å; D424-S427 WeakPolarHBondContact OD2-CB 3.31Å; D424-S427 PolarHBondContact OD2-OG 3.15Å; D424-L428 PolarHBondContact O-N 3.21Å
425	V	89.9	Confident	90.4	Very high	10 Å²	10	12.1 Å²	12.1	6%	0.061	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-26.6	-177.6	-65.1	0	0	0	0	113.4	K423 A429 V527 L530 Y604 N630	K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.82Å; V425-A429 WeakPolarHBondContact O-CB 3.22Å; V425-A429 PolarHBondContact O-N 3.26Å; V425-V527 HydrophobicContact CG1-CG1 4.26Å; V425-V527 HydrophobicContact CG1-CG2 3.78Å; V425-L530 HydrophobicContact CB-CD2 4.16Å; V425-L530 HydrophobicContact CG1-CD2 4.47Å; V425-Y604 HydrophobicContact CG2-CE1 4.43Å; V425-N630 HydrophobicContact CG2-CB 3.98Å; V425-N630 VanDerWaalsContact CG2-ND2 3.29Å; V425-N630 WeakPolarHBondContact CG2-ND2 3.46Å
426	L	90.4	Very high	90.5	Very high	9 Å²	9	12 Å²	12	5%	0.047	6%	0.056	C	C	.	.	H	α-helix	trans	-73	-46.2	176.7	-69.1	-179.3	0	0	0	111.1	L395 D424 L428 A429 A430 L579 R581 N630 I632	L395-L426 HydrophobicContact CD1-CB 4.46Å; L395-L426 HydrophobicContact CD2-CB 3.99Å; L395-L426 WeakPolarHBondContact CD2-O 3.4Å; D424-L426 PolarHBondContact O-N 3.27Å; D424-L426 PolarHBondContact OD1-N 2.9Å; L426-L428 PolarHBondContact O-N 2.89Å; L426-A429 PolarHBondContact O-N 3.03Å; L426-A430 WeakPolarHBondContact O-CB 3.09Å; L426-A430 PolarHBondContact O-N 2.91Å; L426-L579 HydrophobicContact CD2-CB 4.4Å; L426-R581 HydrophobicContact CD1-CB 3.85Å; L426-R581 HydrophobicContact CD1-CG 3.96Å; L426-N630 HydrophobicContact CD1-CB 4.2Å; L426-N630 WeakPolarHBondContact CD1-OD1 3.46Å; L426-N630 HydrophobicContact CD2-CB 3.97Å; L426-N630 HydrophobicContact CG-CB 3.89Å; L426-I632 HydrophobicContact CD2-CD1 4.41Å; L426-I632 HydrophobicContact CD2-CG1 3.73Å
427	S	91.2	Very high	90.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-37.4	173.3	-67.6	0	0	0	0	111.5	K386 L395 V414 D424 A430 S431	K386-S427 PolarHBondContact NZ-OG 3.33Å; L395-S427 WeakPolarHBondContact CD1-OG 3.34Å; V414-S427 VanDerWaalsContact CG1-C 3.49Å; D424-S427 VanDerWaalsContact CG-CB 3.47Å; D424-S427 PolarHBondContact O-N 3.16Å; D424-S427 PolarHBondContact OD1-N 2.97Å; D424-S427 PolarHBondContact OD1-OG 2.89Å; D424-S427 WeakPolarHBondContact OD2-CB 3.31Å; D424-S427 PolarHBondContact OD2-OG 3.15Å; S427-A430 PolarHBondContact O-N 2.96Å; S427-S431 PolarHBondContact O-N 3.44Å
428	L	92.9	Very high	90.9	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-67.2	-42.3	177.5	-176.9	59.7	0	0	0	111.7	V414 D424 L426 S431 L432 V527 V531	V414-L428 HydrophobicContact CG1-CB 4.05Å; V414-L428 HydrophobicContact CG1-CD1 4.47Å; V414-L428 HydrophobicContact CG2-CD1 4.1Å; D424-L428 PolarHBondContact O-N 3.21Å; L426-L428 PolarHBondContact O-N 2.89Å; L428-S431 PolarHBondContact O-N 2.75Å; L428-S431 PolarHBondContact O-OG 3.02Å; L428-L432 HydrophobicContact CD1-CD1 4.37Å; L428-L432 PolarHBondContact O-N 2.83Å; L428-V527 HydrophobicContact CD2-CG1 3.89Å; L428-V531 HydrophobicContact CD2-CG2 3.54Å; L428-V531 HydrophobicContact CG-CG2 4.1Å
429	A	95	Very high	91.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.5	-41.6	173.2	0	0	0	0	0	112	V425 L426 L432 L433 L534 L579 I632	V425-A429 WeakPolarHBondContact O-CB 3.22Å; V425-A429 PolarHBondContact O-N 3.26Å; L426-A429 PolarHBondContact O-N 3.03Å; A429-L432 PolarHBondContact O-N 3.1Å; A429-L433 HydrophobicContact CB-CD1 4.39Å; A429-L433 VanDerWaalsContact O-CB 3.25Å; A429-L433 WeakPolarHBondContact O-CB 3.33Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 2.87Å; A429-L534 HydrophobicContact CB-CD1 4.02Å; A429-L534 HydrophobicContact CB-CD2 4.34Å; A429-L579 HydrophobicContact CB-CD2 4.1Å; A429-I632 HydrophobicContact CB-CD1 3.56Å; A429-I632 HydrophobicContact CB-CG1 4Å; A429-I632 HydrophobicContact CB-CG2 4.06Å
430	A	94.1	Very high	91.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-44.6	176.5	0	0	0	0	0	112.2	F379 L395 L426 S427 L432 L433 L434 L579	F379-A430 HydrophobicContact CD1-CB 4.05Å; F379-A430 HydrophobicContact CE1-CB 3.51Å; F379-A430 HydrophobicContact CZ-CB 4.22Å; L395-A430 HydrophobicContact CD2-CB 3.65Å; L426-A430 WeakPolarHBondContact O-CB 3.09Å; L426-A430 PolarHBondContact O-N 2.91Å; S427-A430 PolarHBondContact O-N 2.96Å; A430-L432 PolarHBondContact O-N 2.83Å; A430-L433 PolarHBondContact O-N 2.85Å; A430-L434 HydrophobicContact CB-CD1 3.92Å; A430-L434 HydrophobicContact CB-CG 4.35Å; A430-L434 VanDerWaalsContact O-CB 3.26Å; A430-L434 WeakPolarHBondContact O-CB 3.25Å; A430-L434 WeakPolarHBondContact O-CG 3.39Å; A430-L434 PolarHBondContact O-N 3.05Å; A430-L579 HydrophobicContact CB-CD1 3.73Å
431	S	93.9	Very high	92.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.9	-32.7	-179.9	69.7	0	0	0	0	112.4	S427 L428 P438	S427-S431 PolarHBondContact O-N 3.44Å; L428-S431 PolarHBondContact O-N 2.75Å; L428-S431 PolarHBondContact O-OG 3.02Å; S431-P438 WeakPolarHBondContact O-CB 3.42Å
432	L	95.1	Very high	92.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-83.6	-34.2	177.4	-74.4	158.4	0	0	0	113.4	V111 L428 A429 A430 P438 I440 L534 I535 R538	V111-L432 HydrophobicContact CG1-CD2 4.24Å; V111-L432 HydrophobicContact CG2-CD2 4.23Å; L428-L432 HydrophobicContact CD1-CD1 4.37Å; L428-L432 PolarHBondContact O-N 2.83Å; A429-L432 PolarHBondContact O-N 3.1Å; A430-L432 PolarHBondContact O-N 2.83Å; L432-P438 HydrophobicContact CD2-CB 3.76Å; L432-P438 HydrophobicContact CD2-CG 4.39Å; L432-P438 HydrophobicContact CG-CB 4.37Å; L432-I440 HydrophobicContact CD1-CD1 4.37Å; L432-I440 HydrophobicContact CD2-CD1 4.35Å; L432-L534 HydrophobicContact CB-CB 4.15Å; L432-L534 HydrophobicContact CD1-CB 3.8Å; L432-L534 HydrophobicContact CD1-CD1 3.82Å; L432-L534 HydrophobicContact CD1-CG 4.49Å; L432-I535 HydrophobicContact CD2-CG1 4.21Å; L432-R538 WeakPolarHBondContact O-CD 3.38Å; L432-R538 PolarHBondContact O-NH1 2.91Å
433	L	95.7	Very high	93	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-96.7	-10.7	-172.4	-64.6	171.4	0	0	0	115	A429 A430 L534 L537 F543 R567 I577 V634	A429-L433 HydrophobicContact CB-CD1 4.39Å; A429-L433 VanDerWaalsContact O-CB 3.25Å; A429-L433 WeakPolarHBondContact O-CB 3.33Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 2.87Å; A430-L433 PolarHBondContact O-N 2.85Å; L433-L534 HydrophobicContact CD1-CD2 3.6Å; L433-L534 HydrophobicContact CD2-CD2 3.86Å; L433-L534 HydrophobicContact CG-CD2 3.7Å; L433-L537 HydrophobicContact CD2-CB 4.41Å; L433-L537 HydrophobicContact CD2-CD1 4.28Å; L433-F543 HydrophobicContact CB-CE1 4.33Å; L433-F543 HydrophobicContact CD2-CD1 4.01Å; L433-F543 HydrophobicContact CD2-CE1 3.57Å; L433-F543 HydrophobicContact CD2-CZ 4.08Å; L433-R567 PolarHBondContact O-NH1 2.93Å; L433-I577 HydrophobicContact CB-CD1 3.97Å; L433-I577 HydrophobicContact CD1-CG2 3.83Å; L433-V634 HydrophobicContact CD1-CG2 3.75Å; L433-V634 HydrophobicContact CD2-CG2 4.31Å
434	L	94	Very high	93.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-98.6	161.6	179.5	-59.4	-176.8	0	0	0	112.2	F379 T396 Y399 L412 A430 R538 M548 F565	F379-L434 HydrophobicContact CE1-CD1 4.37Å; F379-L434 HydrophobicContact CZ-CD1 3.9Å; T396-L434 HydrophobicContact CG2-CD1 3.56Å; Y399-L434 HydrophobicContact CD1-CD1 4.11Å; Y399-L434 HydrophobicContact CE1-CB 4.14Å; Y399-L434 HydrophobicContact CE1-CD1 3.9Å; L412-L434 HydrophobicContact CD1-CB 4.46Å; A430-L434 HydrophobicContact CB-CD1 3.92Å; A430-L434 HydrophobicContact CB-CG 4.35Å; A430-L434 VanDerWaalsContact O-CB 3.26Å; A430-L434 WeakPolarHBondContact O-CB 3.25Å; A430-L434 WeakPolarHBondContact O-CG 3.39Å; A430-L434 PolarHBondContact O-N 3.05Å; L434-R538 PolarHBondContact O-NH1 2.64Å; L434-M548 HydrophobicContact CD1-CE 4.23Å; L434-M548 HydrophobicContact CD2-CE 3.54Å; L434-M548 HydrophobicContact CD2-SD 3.78Å; L434-M548 HydrophobicContact CG-CE 4.45Å; L434-F565 HydrophobicContact CD2-CD2 4.38Å; L434-F565 HydrophobicContact CD2-CG 4.3Å
435	P	94.4	Very high	93.8	Very high	4 Å²	4	1.8 Å²	1.8	3%	0.026	1%	0.01	C	C	.	.	S	Bend	trans	-57.4	145.7	173.8	-24.5	33.5	0	0	0	113.1	Y399 K407 L412 M548	Y399-P435 WeakPolarHBondContact OH-CD 3.22Å; Y399-P435 PolarHBondContact OH-O 3.27Å; K407-P435 HydrophobicContact CB-CB 3.95Å; K407-P435 HydrophobicContact CD-CB 4.17Å; K407-P435 HydrophobicContact CD-CG 4.41Å; L412-P435 WeakPolarHBondContact CD1-O 3.31Å; P435-M548 HydrophobicContact CG-CB 3.65Å; P435-M548 HydrophobicContact CG-SD 4.4Å
436	G	94.9	Very high	93.7	Very high	1 Å²	1	1.3 Å²	1.3	1%	0.01	1%	0.008	C	C	.	.	S	Bend	trans	116.6	-167.4	-176.1	0	0	0	0	0	112.4	K407 P438 R538	K407-G436 WeakPolarHBondContact O-CA 3.38Å; G436-P438 WeakPolarHBondContact O-CD 3.27Å; G436-R538 PolarHBondContact O-NH2 3.35Å
437	I	95.8	Very high	93.5	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	99.3	-162.9	-62.5	169.9	0	0	0	108.5	W107 F149 V373 Q408 L410 G411 L412 I439	W107-I437 WeakPolarHBondContact O-CG1 3.25Å; W107-I437 WeakPolarHBondContact O-CG2 3.5Å; F149-I437 HydrophobicContact CZ-CG2 4.17Å; V373-I437 HydrophobicContact CB-CD1 4.44Å; V373-I437 HydrophobicContact CG1-CD1 4.42Å; V373-I437 HydrophobicContact CG2-CD1 3.43Å; V373-I437 VanDerWaalsContact CG2-CD1 3.43Å; Q408-I437 VanDerWaalsContact O-CD1 3.32Å; Q408-I437 WeakPolarHBondContact O-CD1 3.1Å; L410-I437 PolarHBondContact O-N 2.88Å; G411-I437 CarbonylContact C-O 3.54Å; G411-I437 WeakPolarHBondContact CA-O 3.5Å; L412-I437 PolarHBondContact N-O 2.99Å; I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.29Å; I437-I439 PolarHBondContact O-N 2.84Å
438	P	96.2	Very high	93.2	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.006	1%	0.011	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.9	-177.8	26.4	-32.7	0	0	0	110.5	V111 G112 S431 L432 G436 R538	V111-P438 HydrophobicContact CB-CG 4.39Å; V111-P438 HydrophobicContact CG1-CB 4.36Å; V111-P438 HydrophobicContact CG1-CG 4.39Å; V111-P438 HydrophobicContact CG2-CG 3.93Å; G112-P438 PolarHBondContact N-O 3.01Å; S431-P438 WeakPolarHBondContact O-CB 3.42Å; L432-P438 HydrophobicContact CD2-CB 3.76Å; L432-P438 HydrophobicContact CD2-CG 4.39Å; L432-P438 HydrophobicContact CG-CB 4.37Å; G436-P438 WeakPolarHBondContact O-CD 3.27Å; P438-R538 HydrophobicContact CG-CG 4.46Å
439	I	96.4	Very high	92.4	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.005	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121	174.5	-62.3	165.3	0	0	0	107.2	G112 W114 F149 I151 V373 I375 L412 T413 I437	G112-I439 WeakPolarHBondContact O-CA 3.27Å; W114-I439 HydrophobicContact CB-CG2 3.83Å; W114-I439 HydrophobicContact CE3-CG2 4.35Å; F149-I439 HydrophobicContact CZ-CG1 4.42Å; I151-I439 HydrophobicContact CD1-CD1 4Å; I151-I439 HydrophobicContact CD1-CG1 4.49Å; I151-I439 HydrophobicContact CD1-CG2 4.25Å; V373-I439 HydrophobicContact CG1-CD1 4.38Å; I375-I439 HydrophobicContact CD1-CD1 3.45Å; I375-I439 VanDerWaalsContact CD1-CD1 3.45Å; L412-I439 PolarHBondContact O-N 2.74Å; T413-I439 WeakPolarHBondContact CA-O 3.32Å; T413-I439 VanDerWaalsContact CB-O 3.26Å; T413-I439 WeakPolarHBondContact CB-O 3.26Å; T413-I439 PolarHBondContact OG1-O 2.84Å; I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.29Å; I437-I439 PolarHBondContact O-N 2.84Å
440	I	95.5	Very high	91	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.6	173.6	-61.5	170.9	0	0	0	106.6	V111 G112 Y113 W114 I145 L432 A444 E445 V531 I535	V111-I440 HydrophobicContact CG1-CD1 4.02Å; V111-I440 HydrophobicContact CG1-CG1 4.25Å; G112-I440 PolarHBondContact O-N 2.82Å; Y113-I440 CarbonylContact C-O 3.52Å; Y113-I440 WeakPolarHBondContact CA-O 3.43Å; Y113-I440 HydrophobicContact CD2-CB 4.16Å; Y113-I440 HydrophobicContact CD2-CG2 4.14Å; Y113-I440 VanDerWaalsContact CD2-O 3.23Å; Y113-I440 WeakPolarHBondContact CD2-O 3.42Å; Y113-I440 HydrophobicContact CE2-CG2 4.13Å; W114-I440 PolarHBondContact N-O 3.28Å; I145-I440 HydrophobicContact CG2-CD1 4.11Å; L432-I440 HydrophobicContact CD1-CD1 4.37Å; L432-I440 HydrophobicContact CD2-CD1 4.35Å; I440-A444 HydrophobicContact CG2-CB 4.35Å; I440-E445 HydrophobicContact CG2-CB 4.3Å; I440-V531 HydrophobicContact CD1-CG1 3.76Å; I440-I535 HydrophobicContact CD1-CD1 4.15Å; I440-I535 HydrophobicContact CD1-CG1 4.46Å
441	Y	94.9	Very high	89.6	Confident	3 Å²	3	4.5 Å²	4.5	1%	0.012	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.5	169.7	-166.6	-93.1	0	0	0	109.3	W114 S415 A444 S480	W114-Y441 HydrophobicContact CB-CD2 3.83Å; W114-Y441 HydrophobicContact CB-CE2 4.5Å; W114-Y441 AromaticContact CD1-CE2 3.98Å; W114-Y441 AromaticContact CD2-CD2 3.77Å; W114-Y441 HydrophobicContact CD2-CD2 3.77Å; W114-Y441 AromaticContact CD2-CE2 3.98Å; W114-Y441 HydrophobicContact CD2-CE2 3.98Å; W114-Y441 HydrophobicContact CE3-CD2 4.13Å; W114-Y441 AromaticContact CG-CD2 3.64Å; W114-Y441 HydrophobicContact CG-CD2 3.64Å; W114-Y441 AromaticContact CG-CE2 3.9Å; W114-Y441 HydrophobicContact CG-CE2 3.9Å; W114-Y441 CarbonylContact O-C 3.58Å; W114-Y441 WeakPolarHBondContact O-CA 3.46Å; S415-Y441 WeakPolarHBondContact O-CB 3.35Å; S415-Y441 WeakPolarHBondContact OG-CD1 3.3Å; Y441-A444 WeakPolarHBondContact O-CB 3.46Å; Y441-A444 PolarHBondContact O-N 3.28Å; Y441-S480 VanDerWaalsContact CE1-O 3.3Å; Y441-S480 WeakPolarHBondContact CE1-O 3.36Å; Y441-S480 PolarHBondContact OH-O 3.36Å
442	Y	94.5	Very high	87.9	Confident	1 Å²	1	9.9 Å²	9.9	0%	0.004	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	141.3	-171.9	84.7	-79	0	0	0	113.3	Y113 W114 V115 D116 A119 F120 A444 S480 H481 Q482 M484	Y113-Y442 WeakPolarHBondContact OH-CA 3.35Å; Y113-Y442 WeakPolarHBondContact OH-CB 3.28Å; W114-Y442 PolarHBondContact O-N 3.11Å; V115-Y442 HydrophobicContact CG1-CG 4.45Å; D116-Y442 HydrophobicContact CB-CD1 4.45Å; D116-Y442 HydrophobicContact CB-CE1 3.72Å; A119-Y442 HydrophobicContact CB-CE2 4.08Å; A119-Y442 WeakPolarHBondContact CB-OH 3.39Å; F120-Y442 HydrophobicContact CD2-CD2 4.47Å; Y442-A444 PolarHBondContact O-N 2.75Å; Y442-S480 PolarHBondContact OH-O 3.32Å; Y442-H481 WeakPolarHBondContact OH-CA 3.33Å; Y442-Q482 VanDerWaalsContact CE2-O 3.25Å; Y442-Q482 WeakPolarHBondContact CE2-O 3.23Å; Y442-Q482 PolarHBondContact OH-N 3.24Å; Y442-Q482 PolarHBondContact OH-O 3.43Å; Y442-M484 HydrophobicContact CD2-CB 4.4Å; Y442-M484 HydrophobicContact CD2-SD 4.04Å; Y442-M484 HydrophobicContact CE2-CB 4.5Å
443	G	91.5	Very high	86.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-18	-174.1	0	0	0	0	0	114.7	E445 L446 G447 M448	G443-E445 WeakPolarHBondContact CA-OE1 3.3Å; G443-E445 VanDerWaalsContact N-CD 3.34Å; G443-E445 PolarHBondContact N-OE1 3.38Å; G443-E445 PolarHBondContact N-OE2 2.83Å; G443-E445 PolarHBondContact O-N 3.48Å; G443-L446 PolarHBondContact O-N 2.89Å; G443-G447 PolarHBondContact O-N 3.5Å; G443-M448 WeakPolarHBondContact O-CB 3.3Å; G443-M448 PolarHBondContact O-N 3.04Å
444	A	91.4	Very high	84.4	Confident	3 Å²	3	20.6 Å²	20.6	3%	0.025	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-63.8	-31.4	174.5	0	0	0	0	0	111.7	V414 I440 Y441 Y442 L446 G447	V414-A444 HydrophobicContact CG2-CB 3.94Å; I440-A444 HydrophobicContact CG2-CB 4.35Å; Y441-A444 WeakPolarHBondContact O-CB 3.46Å; Y441-A444 PolarHBondContact O-N 3.28Å; Y442-A444 PolarHBondContact O-N 2.75Å; A444-L446 PolarHBondContact O-N 3.48Å; A444-G447 PolarHBondContact O-N 3.36Å
445	E	91	Very high	83.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.9	-26.7	172.8	73	-72.4	168.8	0	0	113.4	Y113 I145 I440 G443 G447 M484 V527 Y528 V531	Y113-E445 PolarHBondContact OH-OE1 2.94Å; I145-E445 HydrophobicContact CD1-CB 4.08Å; I145-E445 HydrophobicContact CD1-CG 3.63Å; I440-E445 HydrophobicContact CG2-CB 4.3Å; G443-E445 WeakPolarHBondContact CA-OE1 3.3Å; G443-E445 VanDerWaalsContact N-CD 3.34Å; G443-E445 PolarHBondContact N-OE1 3.38Å; G443-E445 PolarHBondContact N-OE2 2.83Å; G443-E445 PolarHBondContact O-N 3.48Å; E445-G447 VanDerWaalsContact C-N 3.27Å; E445-M484 WeakPolarHBondContact OE1-CE 3.35Å; E445-V527 CarbonylContact O-C 3.6Å; E445-V527 VanDerWaalsContact O-C 3.3Å; E445-Y528 WeakPolarHBondContact O-CA 3.38Å; E445-Y528 PolarHBondContact O-N 3.34Å; E445-V531 HydrophobicContact CB-CB 4.45Å; E445-V531 HydrophobicContact CB-CG1 4.09Å; E445-V531 HydrophobicContact CB-CG2 4.45Å
446	L	89.8	Confident	82.2	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-88.9	2.6	174.7	-58.1	178.4	0	0	0	112.1	G443 A444 M448 M484 P485 V515 V518 Y528	G443-L446 PolarHBondContact O-N 2.89Å; A444-L446 PolarHBondContact O-N 3.48Å; L446-M448 PolarHBondContact O-N 3.01Å; L446-M484 HydrophobicContact CD1-CE 3.69Å; L446-M484 HydrophobicContact CD1-SD 4.26Å; L446-M484 HydrophobicContact CG-CE 4.43Å; L446-P485 HydrophobicContact CD1-CG 3.67Å; L446-V515 HydrophobicContact CD1-CG2 3.78Å; L446-V515 HydrophobicContact CD2-CG2 4.25Å; L446-V518 HydrophobicContact CD2-CG2 3.61Å; L446-Y528 HydrophobicContact CD2-CD2 3.94Å
447	G	86	Confident	81.5	Confident	6 Å²	6	34.7 Å²	34.7	6%	0.062	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	29.5	-170.4	0	0	0	0	0	112.3	K423 G443 A444 E445 A449	K423-G447 VanDerWaalsContact CD-O 3.3Å; K423-G447 WeakPolarHBondContact CD-O 3.39Å; K423-G447 WeakPolarHBondContact CG-O 3.49Å; G443-G447 PolarHBondContact O-N 3.5Å; A444-G447 PolarHBondContact O-N 3.36Å; E445-G447 VanDerWaalsContact C-N 3.27Å; G447-A449 PolarHBondContact O-N 3.46Å
448	M	84.1	Confident	80.9	Confident	13 Å²	13	40.3 Å²	40.3	6%	0.064	20%	0.195	C	C	.	.			trans	-57	125.1	175.2	-172.6	167.1	76.2	0	0	108.6	S421 G443 L446 Q482 I510	S421-M448 VanDerWaalsContact CB-O 3.26Å; S421-M448 WeakPolarHBondContact CB-O 3.45Å; S421-M448 PolarHBondContact OG-O 3.14Å; G443-M448 WeakPolarHBondContact O-CB 3.3Å; G443-M448 PolarHBondContact O-N 3.04Å; L446-M448 PolarHBondContact O-N 3.01Å; M448-Q482 HydrophobicContact CE-CB 4.28Å; M448-Q482 HydrophobicContact SD-CB 4.49Å; M448-I510 HydrophobicContact CG-CG1 4.13Å; M448-I510 HydrophobicContact SD-CD1 4.47Å
449	A	75.9	Confident	80.5	Confident	33 Å²	33	46.6 Å²	46.6	27%	0.273	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-97.2	147.2	170.4	0	0	0	0	0	108.7	K423 G447	K423-A449 HydrophobicContact CB-CB 4.46Å; G447-A449 PolarHBondContact O-N 3.46Å
450	S	66.2	Low	80.3	Confident	15 Å²	15	46.8 Å²	46.8	11%	0.105	22%	0.223	C	C	.	.			trans	-45.8	147.8	171.4	65.9	0	0	0	0	112	S421 R422	S421-S450 PolarHBondContact O-N 3.01Å; R422-S450 PolarHBondContact NH1-OG 2.71Å
451	L	64.1	Low	80.2	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	22%	0.223	C	C	.	.			trans	-47.1	151.4	173.2	-63.1	178.3	0	0	0	112.7	R453 R455 L479 Q482 Y505 N509	L451-R453 PolarHBondContact O-N 2.94Å; L451-R455 WeakPolarHBondContact CD1-O 3.39Å; L451-L479 HydrophobicContact CB-CD2 3.79Å; L451-L479 HydrophobicContact CD1-CD2 4.2Å; L451-L479 HydrophobicContact CG-CD2 4.29Å; L451-Q482 VanDerWaalsContact CD1-CD 3.43Å; L451-Q482 HydrophobicContact CD1-CG 4.47Å; L451-Q482 VanDerWaalsContact CD1-OE1 3.26Å; L451-Q482 HydrophobicContact CD2-CG 4.39Å; L451-Q482 VanDerWaalsContact CG-CD 3.49Å; L451-Q482 HydrophobicContact CG-CG 4.05Å; L451-Y505 HydrophobicContact CD2-CD2 3.93Å; L451-Y505 HydrophobicContact CD2-CE2 3.8Å; L451-N509 WeakPolarHBondContact CA-OD1 3.39Å; L451-N509 HydrophobicContact CD2-CB 4.18Å; L451-N509 WeakPolarHBondContact CD2-ND2 3.4Å
452	N	59.2	Low	80.1	Confident	113 Å²	113	46.6 Å²	46.6	60%	0.604	22%	0.223	S	C	*	.	S	Bend	trans	-59.1	137.1	161.3	-79.3	-45.9	0	0	0	110.2	K508 N509	N452-K508 PolarHBondContact ND2-O 3.37Å; N452-N509 PolarHBondContact N-OD1 3.04Å
453	R	59.3	Low	80	Confident	183 Å²	183	49.8 Å²	49.8	69%	0.691	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-39.4	135.6	-171.9	-56.8	178.6	164.1	173.5	-10	114.1	L451 R455 D474	L451-R453 PolarHBondContact O-N 2.94Å; R453-R455 PolarHBondContact O-N 2.95Å; R453-D474 WeakPolarHBondContact CD-OD1 3.48Å; R453-D474 WeakPolarHBondContact CG-OD1 3.36Å; R453-D474 IonicContact CZ-OD1 3.57Å; R453-D474 IonicContact CZ-OD2 3.49Å; R453-D474 VanDerWaalsContact NE-CG 3.29Å; R453-D474 IonicContact NE-OD1 3.95Å; R453-D474 PolarHBondContact NE-OD1 3.47Å; R453-D474 IonicContact NE-OD2 2.71Å; R453-D474 PolarHBondContact NE-OD2 2.92Å; R453-D474 IonicContact NH2-OD2 3.71Å; R453-D474 PolarHBondContact NH2-OD2 3.46Å
454	G	57.6	Low	79.9	Confident	42 Å²	42	50 Å²	50	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	16.5	159.7	0	0	0	0	0	117.3
455	R	66.4	Low	79.9	Confident	196 Å²	196	50.8 Å²	50.8	74%	0.74	24%	0.243	S	C	*	.			trans	-132.6	117.3	174.8	-65.2	-170.3	-178.2	-167.9	1	111.3	L451 R453	L451-R455 WeakPolarHBondContact CD1-O 3.39Å; R453-R455 PolarHBondContact O-N 2.95Å
456	R	75	Confident	79.8	Confident	83 Å²	83	51 Å²	51	31%	0.313	24%	0.244	S	C	.	.			trans	-87.1	143.2	165.8	63	-171.4	-180	-172.6	6.2	109.9	E458 G464 S466 L472	R456-E458 WeakPolarHBondContact CG-OE1 3.45Å; R456-E458 IonicContact CZ-OE1 3.7Å; R456-E458 IonicContact NE-OE1 2.74Å; R456-E458 PolarHBondContact NE-OE1 3.12Å; R456-E458 IonicContact NH2-OE1 3.2Å; R456-E458 PolarHBondContact O-N 3.44Å; R456-G464 WeakPolarHBondContact CD-O 3.45Å; R456-G464 PolarHBondContact NE-O 2.6Å; R456-G464 PolarHBondContact NH1-O 3.19Å; R456-G464 PolarHBondContact NH2-O 2.86Å; R456-G464 VanDerWaalsContact NH2-O 3.15Å; R456-S466 PolarHBondContact NH1-OG 3.45Å; R456-L472 HydrophobicContact CB-CD1 4.26Å; R456-L472 HydrophobicContact CB-CD2 4.35Å; R456-L472 HydrophobicContact CG-CD1 4.09Å
457	P	80.2	Confident	79.8	Confident	22 Å²	22	51.3 Å²	51.3	14%	0.143	25%	0.245	C	C	.	.			trans	-61.6	120.8	169.3	-20.8	30.6	0	0	0	110.9	L460 G464	P457-L460 HydrophobicContact CB-CB 3.9Å; P457-G464 PolarHBondContact O-N 3.41Å
458	E	84.5	Confident	79.9	Confident	117 Å²	117	51 Å²	51	55%	0.547	24%	0.242	S	C	.	.	S	Bend	trans	-85.7	-32.1	176.6	-66.6	-66.8	150	0	0	111.9	R456 G464	R456-E458 WeakPolarHBondContact CG-OE1 3.45Å; R456-E458 IonicContact CZ-OE1 3.7Å; R456-E458 IonicContact NE-OE1 2.74Å; R456-E458 PolarHBondContact NE-OE1 3.12Å; R456-E458 IonicContact NH2-OE1 3.2Å; R456-E458 PolarHBondContact O-N 3.44Å; E458-G464 WeakPolarHBondContact OE2-CA 3.47Å
459	K	88	Confident	80	Confident	133 Å²	133	53.8 Å²	53.8	58%	0.578	26%	0.257	S	S	*	.	S	Bend	trans	-99.8	-13	-177.5	-71.7	-175.3	164.9	-166.7	0	115	L127 D499	L127-K459 WeakPolarHBondContact CD1-O 3.28Å; K459-D499 IonicContact NZ-OD2 2.77Å; K459-D499 PolarHBondContact NZ-OD2 2.94Å
460	L	91	Very high	80.4	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	-117.4	161	177.1	-60	170.7	0	0	0	106.9	P457 Q463 P483 I497 F502	P457-L460 HydrophobicContact CB-CB 3.9Å; L460-Q463 WeakPolarHBondContact O-CA 3.45Å; L460-Q463 PolarHBondContact O-N 3.36Å; L460-P483 HydrophobicContact CB-CG 4.13Å; L460-I497 HydrophobicContact CD2-CD1 3.51Å; L460-I497 HydrophobicContact CD2-CG1 3.98Å; L460-F502 HydrophobicContact CD1-CB 4.1Å; L460-F502 HydrophobicContact CD1-CD2 3.82Å; L460-F502 HydrophobicContact CD1-CG 4.32Å; L460-F502 HydrophobicContact CD2-CB 4.41Å; L460-F502 HydrophobicContact CD2-CD2 4.04Å
461	Y	93.3	Very high	80.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	129	167.8	179.1	-89.3	0	0	0	110.6	D116 F118 A119 V128 Y160 H481 P483	D116-Y461 PolarHBondContact OD2-OH 3.21Å; D116-Y461 VanDerWaalsContact OD2-OH 3.04Å; F118-Y461 HydrophobicContact CB-CD2 4.07Å; F118-Y461 HydrophobicContact CB-CE2 3.34Å; F118-Y461 HydrophobicContact CG-CE2 4.43Å; F118-Y461 VanDerWaalsContact O-CD2 3.32Å; F118-Y461 WeakPolarHBondContact O-CD2 3.14Å; A119-Y461 HydrophobicContact CB-CD1 3.71Å; A119-Y461 HydrophobicContact CB-CE1 3.51Å; V128-Y461 HydrophobicContact CG1-CD2 4.15Å; V128-Y461 HydrophobicContact CG1-CE2 4.49Å; Y160-Y461 AromaticContact CD2-CE2 3.89Å; Y160-Y461 HydrophobicContact CD2-CE2 3.89Å; Y160-Y461 AromaticContact CE2-CD2 3.98Å; Y160-Y461 HydrophobicContact CE2-CD2 3.98Å; Y160-Y461 AromaticContact CE2-CE2 3.6Å; Y160-Y461 HydrophobicContact CE2-CE2 3.6Å; Y461-H481 HydrophobicContact CE1-CB 4.08Å; Y461-P483 WeakPolarHBondContact O-CD 3.45Å; Y461-P483 VanDerWaalsContact O-CG 3.29Å; Y461-P483 WeakPolarHBondContact O-CG 3.19Å
462	P	92.8	Very high	81	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.8	18	13	39.3	-41.3	0	0	0	115.7	I167 G464 K465 I478	I167-P462 HydrophobicContact CD1-CB 3.62Å; P462-G464 PolarHBondContact O-N 3.28Å; P462-K465 HydrophobicContact CB-CB 4.39Å; P462-K465 WeakPolarHBondContact CG-O 3.35Å; P462-K465 VanDerWaalsContact O-CB 3.3Å; P462-K465 WeakPolarHBondContact O-CB 3.38Å; P462-K465 WeakPolarHBondContact O-CG 3.18Å; P462-K465 PolarHBondContact O-N 3.11Å; P462-I478 HydrophobicContact CB-CD1 3.81Å; P462-I478 HydrophobicContact CG-CD1 3.55Å; P462-I478 HydrophobicContact CG-CG1 3.96Å
463	Q	92.8	Very high	81.4	Confident	67 Å²	67	59.3 Å²	59.3	31%	0.313	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	45.8	-179.8	-62.8	177.9	-42.7	0	0	113	D126 Y160 L460 K465	D126-Q463 PolarHBondContact O-NE2 2.9Å; Y160-Q463 PolarHBondContact OH-OE1 3.03Å; L460-Q463 WeakPolarHBondContact O-CA 3.45Å; L460-Q463 PolarHBondContact O-N 3.36Å; Q463-K465 PolarHBondContact O-N 3.48Å
464	G	89.4	Confident	81.4	Confident	5 Å²	5	52.6 Å²	52.6	5%	0.052	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	4.5	-179	0	0	0	0	0	114.6	R456 P457 E458 P462	R456-G464 WeakPolarHBondContact CD-O 3.45Å; R456-G464 PolarHBondContact NE-O 2.6Å; R456-G464 PolarHBondContact NH1-O 3.19Å; R456-G464 PolarHBondContact NH2-O 2.86Å; R456-G464 VanDerWaalsContact NH2-O 3.15Å; P457-G464 PolarHBondContact O-N 3.41Å; E458-G464 WeakPolarHBondContact OE2-CA 3.47Å; P462-G464 PolarHBondContact O-N 3.28Å
465	K	92.2	Very high	81.8	Confident	20 Å²	20	55.2 Å²	55.2	9%	0.087	26%	0.256	C	S	.	.			trans	-77.8	161	171.1	-58.5	-178.9	-176.1	175	0	111.6	Y160 N165 I167 P462 Q463	Y160-K465 HydrophobicContact CD2-CD 4.18Å; Y160-K465 VanDerWaalsContact CE1-NZ 3.31Å; Y160-K465 HydrophobicContact CE2-CD 3.74Å; Y160-K465 PolarHBondContact O-NZ 3.06Å; N165-K465 WeakPolarHBondContact OD1-CE 3.27Å; I167-K465 HydrophobicContact CD1-CB 3.99Å; I167-K465 HydrophobicContact CG1-CB 3.9Å; I167-K465 HydrophobicContact CG1-CD 4.32Å; P462-K465 HydrophobicContact CB-CB 4.39Å; P462-K465 WeakPolarHBondContact CG-O 3.35Å; P462-K465 VanDerWaalsContact O-CB 3.3Å; P462-K465 WeakPolarHBondContact O-CB 3.38Å; P462-K465 WeakPolarHBondContact O-CG 3.18Å; P462-K465 PolarHBondContact O-N 3.11Å; Q463-K465 PolarHBondContact O-N 3.48Å
466	S	89	Confident	82.2	Confident	4 Å²	4	46 Å²	46	3%	0.028	22%	0.222	C	C	.	.			trans	-137.5	151.1	176.4	35.9	0	0	0	0	110.4	I167 R456 H468 N469	I167-S466 PolarHBondContact N-O 2.97Å; R456-S466 PolarHBondContact NH1-OG 3.45Å; S466-H468 PolarHBondContact O-N 3.27Å; S466-N469 PolarHBondContact O-N 3.17Å; S466-N469 PolarHBondContact OG-OD1 3.39Å
467	Y	88.4	Confident	82.6	Confident	7 Å²	7	42.1 Å²	42.1	3%	0.027	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-68.9	118.1	179.8	-161.1	-102	0	0	0	110.3	F159 I167 Y237 N469 E470	F159-Y467 HydrophobicContact CE2-CE2 4.03Å; F159-Y467 HydrophobicContact CZ-CE2 4.06Å; I167-Y467 HydrophobicContact CB-CD2 4.17Å; I167-Y467 HydrophobicContact CG2-CD2 3.74Å; I167-Y467 HydrophobicContact CG2-CE2 4.19Å; I167-Y467 CarbonylContact O-C 3.3Å; I167-Y467 WeakPolarHBondContact O-CA 3.47Å; Y237-Y467 WeakPolarHBondContact OH-CD1 3.47Å; Y467-N469 PolarHBondContact O-N 3.31Å; Y467-E470 VanDerWaalsContact O-CB 3.29Å; Y467-E470 WeakPolarHBondContact O-CB 3.27Å; Y467-E470 VanDerWaalsContact O-CG 3.31Å; Y467-E470 WeakPolarHBondContact O-CG 3.22Å; Y467-E470 PolarHBondContact O-N 2.95Å
468	H	87.8	Confident	82.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.9	33.5	-169.9	-59.6	-91.1	0	0	0	114.8	I167 G168 Y237 K239 F254 S258 S466 E470	I167-H468 PolarHBondContact O-N 2.63Å; G168-H468 PolarHBondContact O-CE1 2.87Å; G168-H468 PolarHBondContact O-NE2 3.43Å; Y237-H468 HydrophobicContact CD2-CB 3.64Å; Y237-H468 HydrophobicContact CE2-CB 3.66Å; Y237-H468 AromaticContact CE2-CD2 3.89Å; K239-H468 WeakPolarHBondContact CE-O 3.43Å; K239-H468 PolarHBondContact NZ-O 2.96Å; F254-H468 HydrophobicContact CB-CB 4.26Å; F254-H468 AromaticContact CD2-CE1 3.64Å; F254-H468 AromaticContact CD2-NE2 3.76Å; S258-H468 PolarHBondContact OG-CE1 3.37Å; S258-H468 PolarHBondContact OG-ND1 3.2Å; S466-H468 PolarHBondContact O-N 3.27Å; H468-E470 PolarHBondContact O-N 3.19Å
469	N	87.1	Confident	82.9	Confident	71 Å²	71	36.2 Å²	36.2	38%	0.38	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.9	-172.2	-69.8	-13.5	0	0	0	114.4	M166 S466 Y467	M166-N469 WeakPolarHBondContact CB-OD1 3.43Å; M166-N469 HydrophobicContact CE-CB 4.41Å; M166-N469 WeakPolarHBondContact CE-ND2 3.34Å; S466-N469 PolarHBondContact O-N 3.17Å; S466-N469 PolarHBondContact OG-OD1 3.39Å; Y467-N469 PolarHBondContact O-N 3.31Å
470	E	83.9	Confident	82.9	Confident	11 Å²	11	30 Å²	30	5%	0.051	15%	0.152	C	C	.	.			trans	-57.1	145.5	169.4	70.5	-177.6	170.6	0	0	111.5	Y237 Y467 H468 G476 S477 I478	Y237-E470 HydrophobicContact CD1-CB 3.39Å; Y237-E470 HydrophobicContact CE1-CB 3.67Å; Y237-E470 HydrophobicContact CG-CB 4.02Å; Y467-E470 VanDerWaalsContact O-CB 3.29Å; Y467-E470 WeakPolarHBondContact O-CB 3.27Å; Y467-E470 VanDerWaalsContact O-CG 3.31Å; Y467-E470 WeakPolarHBondContact O-CG 3.22Å; Y467-E470 PolarHBondContact O-N 2.95Å; H468-E470 PolarHBondContact O-N 3.19Å; E470-G476 WeakPolarHBondContact OE2-CA 3.41Å; E470-S477 WeakPolarHBondContact OE1-CA 3.43Å; E470-S477 PolarHBondContact OE1-N 3.22Å; E470-S477 PolarHBondContact OE2-N 2.8Å; E470-I478 PolarHBondContact OE1-N 3.39Å
471	D	75.3	Confident	82.9	Confident	110 Å²	110	30.2 Å²	30.2	59%	0.588	15%	0.152	S	C	*	.			trans	-63.6	139.6	168.3	-75.1	-34.3	0	0	0	110.2	L473	D471-L473 HydrophobicContact CB-CD2 4.42Å; D471-L473 HydrophobicContact CB-CG 4.03Å; D471-L473 PolarHBondContact O-N 3.42Å
472	L	68.3	Low	82.6	Confident	58 Å²	58	30.4 Å²	30.4	30%	0.304	15%	0.153	S	C	.	.			trans	-72.2	70.8	175.6	-65	177.5	0	0	0	111.3	R456 I478	R456-L472 HydrophobicContact CB-CD1 4.26Å; R456-L472 HydrophobicContact CB-CD2 4.35Å; R456-L472 HydrophobicContact CG-CD1 4.09Å; L472-I478 HydrophobicContact CD2-CG2 3.58Å
473	L	66.5	Low	82.6	Confident	112 Å²	112	30.4 Å²	30.4	59%	0.586	15%	0.153	S	C	*	.			trans	-84.8	173.4	173.2	-60	179.1	0	0	0	110.9	D471 Y475 G476	D471-L473 HydrophobicContact CB-CD2 4.42Å; D471-L473 HydrophobicContact CB-CG 4.03Å; D471-L473 PolarHBondContact O-N 3.42Å; L473-Y475 PolarHBondContact O-N 2.84Å; L473-G476 PolarHBondContact O-N 3.15Å
474	D	60.9	Low	82.7	Confident	41 Å²	41	27.2 Å²	27.2	22%	0.219	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-8.1	175.2	-87.5	10.4	0	0	0	115.1	R422 R453	R422-D474 PolarHBondContact NH2-O 3.14Å; R453-D474 WeakPolarHBondContact CD-OD1 3.48Å; R453-D474 WeakPolarHBondContact CG-OD1 3.36Å; R453-D474 IonicContact CZ-OD1 3.57Å; R453-D474 IonicContact CZ-OD2 3.49Å; R453-D474 VanDerWaalsContact NE-CG 3.29Å; R453-D474 IonicContact NE-OD1 3.95Å; R453-D474 PolarHBondContact NE-OD1 3.47Å; R453-D474 IonicContact NE-OD2 2.71Å; R453-D474 PolarHBondContact NE-OD2 2.92Å; R453-D474 IonicContact NH2-OD2 3.71Å; R453-D474 PolarHBondContact NH2-OD2 3.46Å
475	Y	64.3	Low	82.9	Confident	98 Å²	98	27 Å²	27	38%	0.384	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	10.2	-167.4	-49.2	-69.5	0	0	0	113.5	W354 L473 S477	W354-Y475 HydrophobicContact CD2-CD1 4.25Å; W354-Y475 HydrophobicContact CD2-CG 4.26Å; W354-Y475 AromaticContact CE3-CD1 3.92Å; W354-Y475 HydrophobicContact CE3-CD1 3.92Å; W354-Y475 HydrophobicContact CE3-CE1 4.47Å; W354-Y475 HydrophobicContact CE3-CG 4.22Å; W354-Y475 AromaticContact CH2-CD1 3.41Å; W354-Y475 HydrophobicContact CH2-CD1 3.41Å; W354-Y475 VanDerWaalsContact CH2-CD1 3.41Å; W354-Y475 AromaticContact CH2-CE1 3.98Å; W354-Y475 HydrophobicContact CH2-CE1 3.98Å; W354-Y475 HydrophobicContact CH2-CG 4.32Å; W354-Y475 AromaticContact CZ2-CD1 3.74Å; W354-Y475 HydrophobicContact CZ2-CD1 3.74Å; W354-Y475 HydrophobicContact CZ2-CG 4.33Å; W354-Y475 AromaticContact CZ3-CD1 3.5Å; W354-Y475 HydrophobicContact CZ3-CD1 3.5Å; W354-Y475 VanDerWaalsContact CZ3-CD1 3.5Å; W354-Y475 AromaticContact CZ3-CE1 3.84Å; W354-Y475 HydrophobicContact CZ3-CE1 3.84Å; W354-Y475 HydrophobicContact CZ3-CG 4.25Å; W354-Y475 PolarHBondContact NE1-O 3.34Å; L473-Y475 PolarHBondContact O-N 2.84Å; Y475-S477 PolarHBondContact O-N 3.21Å
476	G	74.9	Confident	83.1	Confident	3 Å²	3	26 Å²	26	3%	0.031	13%	0.131	C	C	.	.			trans	-57.8	137.2	179.7	0	0	0	0	0	111.4	E470 L473 I478 L479	E470-G476 WeakPolarHBondContact OE2-CA 3.41Å; L473-G476 PolarHBondContact O-N 3.15Å; G476-I478 PolarHBondContact O-N 2.97Å; G476-I478 VanDerWaalsContact O-N 3.14Å; G476-L479 VanDerWaalsContact O-CB 3.28Å; G476-L479 WeakPolarHBondContact O-CB 3.24Å; G476-L479 WeakPolarHBondContact O-CG 3.42Å; G476-L479 PolarHBondContact O-N 3.39Å
477	S	84.2	Confident	83.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-51.9	-34.3	176.8	-68.5	0	0	0	0	111.6	D352 E470 Y475 L479 S480 H481	D352-S477 PolarHBondContact OD2-OG 2.64Å; E470-S477 WeakPolarHBondContact OE1-CA 3.43Å; E470-S477 PolarHBondContact OE1-N 3.22Å; E470-S477 PolarHBondContact OE2-N 2.8Å; Y475-S477 PolarHBondContact O-N 3.21Å; S477-L479 PolarHBondContact O-N 3.06Å; S477-S480 VanDerWaalsContact O-CB 3.29Å; S477-S480 WeakPolarHBondContact O-CB 3.47Å; S477-S480 PolarHBondContact O-N 3.06Å; S477-S480 PolarHBondContact O-OG 2.88Å; S477-H481 PolarHBondContact O-CD2 3.34Å
478	I	85.1	Confident	83.5	Confident	2 Å²	2	28 Å²	28	1%	0.01	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-54.4	-25.2	176.5	-158.4	58.4	0	0	0	114.4	I167 P462 E470 L472 G476 S480 H481 Q482	I167-I478 HydrophobicContact CD1-CD1 4Å; P462-I478 HydrophobicContact CB-CD1 3.81Å; P462-I478 HydrophobicContact CG-CD1 3.55Å; P462-I478 HydrophobicContact CG-CG1 3.96Å; E470-I478 PolarHBondContact OE1-N 3.39Å; L472-I478 HydrophobicContact CD2-CG2 3.58Å; G476-I478 PolarHBondContact O-N 2.97Å; G476-I478 VanDerWaalsContact O-N 3.14Å; I478-S480 PolarHBondContact O-N 3.46Å; I478-H481 HydrophobicContact CD1-CB 4.26Å; I478-H481 PolarHBondContact O-N 3.42Å; I478-Q482 PolarHBondContact O-NE2 3.35Å
479	L	85.4	Confident	83.7	Confident	13 Å²	13	30.2 Å²	30.2	7%	0.068	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-68.2	-17.8	176.8	-61.7	178.3	0	0	0	112.9	P420 L451 G476 S477	P420-L479 HydrophobicContact CB-CB 3.68Å; P420-L479 HydrophobicContact CG-CB 3.78Å; P420-L479 HydrophobicContact CG-CD1 4.36Å; L451-L479 HydrophobicContact CB-CD2 3.79Å; L451-L479 HydrophobicContact CD1-CD2 4.2Å; L451-L479 HydrophobicContact CG-CD2 4.29Å; G476-L479 VanDerWaalsContact O-CB 3.28Å; G476-L479 WeakPolarHBondContact O-CB 3.24Å; G476-L479 WeakPolarHBondContact O-CG 3.42Å; G476-L479 PolarHBondContact O-N 3.39Å; S477-L479 PolarHBondContact O-N 3.06Å
480	S	88.8	Confident	84.1	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.028	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-87.6	-7.5	173.5	-44.4	0	0	0	0	112.8	T416 S417 F419 P420 Y441 Y442 S477 I478	T416-S480 WeakPolarHBondContact O-CB 3.44Å; T416-S480 PolarHBondContact O-OG 2.95Å; S417-S480 WeakPolarHBondContact O-CB 3.37Å; S417-S480 PolarHBondContact O-OG 2.88Å; F419-S480 PolarHBondContact N-OG 2.91Å; P420-S480 WeakPolarHBondContact CA-OG 3.47Å; Y441-S480 VanDerWaalsContact CE1-O 3.3Å; Y441-S480 WeakPolarHBondContact CE1-O 3.36Å; Y441-S480 PolarHBondContact OH-O 3.36Å; Y442-S480 PolarHBondContact OH-O 3.32Å; S477-S480 VanDerWaalsContact O-CB 3.29Å; S477-S480 WeakPolarHBondContact O-CB 3.47Å; S477-S480 PolarHBondContact O-N 3.06Å; S477-S480 PolarHBondContact O-OG 2.88Å; I478-S480 PolarHBondContact O-N 3.46Å
481	H	90.1	Very high	84.6	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.037	17%	0.165	C	C	.	.			trans	-118.3	68.4	-171.1	-64	-70.8	0	0	0	109.7	D116 S417 Y442 Y461 S477 I478	D116-H481 IonicContact OD2-CE1 3.66Å; D116-H481 IonicContact OD2-CG 2.71Å; D116-H481 IonicContact OD2-ND1 3.71Å; D116-H481 PolarHBondContact OD2-ND1 2.88Å; S417-H481 PolarHBondContact O-NE2 3.28Å; S417-H481 VanDerWaalsContact O-NE2 3.14Å; Y442-H481 WeakPolarHBondContact OH-CA 3.33Å; Y461-H481 HydrophobicContact CE1-CB 4.08Å; S477-H481 PolarHBondContact O-CD2 3.34Å; I478-H481 HydrophobicContact CD1-CB 4.26Å; I478-H481 PolarHBondContact O-N 3.42Å
482	Q	88	Confident	85.6	Confident	4 Å²	4	31 Å²	31	2%	0.019	15%	0.153	C	C	.	.			trans	-114	145.2	-176.7	-61.7	-56.9	-51.9	0	0	111.8	A119 Y442 M448 L451 I478 M484 Y505	A119-Q482 WeakPolarHBondContact CB-O 3.41Å; Y442-Q482 VanDerWaalsContact CE2-O 3.25Å; Y442-Q482 WeakPolarHBondContact CE2-O 3.23Å; Y442-Q482 PolarHBondContact OH-N 3.24Å; Y442-Q482 PolarHBondContact OH-O 3.43Å; M448-Q482 HydrophobicContact CE-CB 4.28Å; M448-Q482 HydrophobicContact SD-CB 4.49Å; L451-Q482 VanDerWaalsContact CD1-CD 3.43Å; L451-Q482 HydrophobicContact CD1-CG 4.47Å; L451-Q482 VanDerWaalsContact CD1-OE1 3.26Å; L451-Q482 HydrophobicContact CD2-CG 4.39Å; L451-Q482 VanDerWaalsContact CG-CD 3.49Å; L451-Q482 HydrophobicContact CG-CG 4.05Å; I478-Q482 PolarHBondContact O-NE2 3.35Å; Q482-M484 PolarHBondContact O-N 3.2Å; Q482-Y505 HydrophobicContact CB-CE2 4.23Å; Q482-Y505 WeakPolarHBondContact CB-OH 3.4Å
483	P	93.3	Very high	87	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.			trans	-54.6	127.5	178.7	-24.5	32.5	0	0	0	111.8	A119 L460 Y461 P485 F493 F502 Y505	A119-P483 CarbonylContact O-C 3.48Å; A119-P483 WeakPolarHBondContact O-CA 3.12Å; L460-P483 HydrophobicContact CB-CG 4.13Å; Y461-P483 WeakPolarHBondContact O-CD 3.45Å; Y461-P483 VanDerWaalsContact O-CG 3.29Å; Y461-P483 WeakPolarHBondContact O-CG 3.19Å; P483-P485 WeakPolarHBondContact O-CD 3.38Å; P483-F493 HydrophobicContact CB-CD1 4.32Å; P483-F493 HydrophobicContact CB-CD2 4.08Å; P483-F493 HydrophobicContact CB-CE1 4.2Å; P483-F493 HydrophobicContact CB-CE2 3.96Å; P483-F493 HydrophobicContact CB-CG 4.27Å; P483-F493 HydrophobicContact CB-CZ 4.02Å; P483-F502 HydrophobicContact CB-CE2 3.66Å; P483-F502 HydrophobicContact CB-CZ 4.35Å; P483-Y505 HydrophobicContact CB-CE1 4.33Å; P483-Y505 WeakPolarHBondContact O-CE1 3.38Å; P483-Y505 PolarHBondContact O-OH 2.88Å
484	M	94.4	Very high	88.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.			trans	-60.7	122.1	177.6	-178.4	60.2	-179.9	0	0	109.9	A119 F120 Y140 Y442 E445 L446 Q482 W486 V515	A119-M484 PolarHBondContact O-N 3.06Å; F120-M484 HydrophobicContact CD2-CB 4.29Å; F120-M484 HydrophobicContact CD2-CG 4.17Å; F120-M484 HydrophobicContact CE2-CG 4.29Å; F120-M484 VanDerWaalsContact O-CB 3.31Å; F120-M484 WeakPolarHBondContact O-CB 3.32Å; Y140-M484 HydrophobicContact CE1-CE 4.35Å; Y442-M484 HydrophobicContact CD2-CB 4.4Å; Y442-M484 HydrophobicContact CD2-SD 4.04Å; Y442-M484 HydrophobicContact CE2-CB 4.5Å; E445-M484 WeakPolarHBondContact OE1-CE 3.35Å; L446-M484 HydrophobicContact CD1-CE 3.69Å; L446-M484 HydrophobicContact CD1-SD 4.26Å; L446-M484 HydrophobicContact CG-CE 4.43Å; Q482-M484 PolarHBondContact O-N 3.2Å; M484-W486 HydrophobicContact CG-CD2 4.17Å; M484-W486 HydrophobicContact CG-CG 4.43Å; M484-W486 HydrophobicContact CG-CZ2 3.83Å; M484-W486 PolarHBondContact O-N 2.78Å; M484-V515 HydrophobicContact CE-CG2 3.62Å
485	P	93.3	Very high	90.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.			trans	-82.7	78.4	-175.4	34.5	-37.4	0	0	0	111.9	L446 P483 V506 I510 V514 V515	L446-P485 HydrophobicContact CD1-CG 3.67Å; P483-P485 WeakPolarHBondContact O-CD 3.38Å; P485-V506 HydrophobicContact CB-CG2 4.34Å; P485-I510 HydrophobicContact CB-CD1 3.44Å; P485-I510 VanDerWaalsContact CB-CD1 3.44Å; P485-I510 HydrophobicContact CG-CD1 3.53Å; P485-I510 HydrophobicContact CG-CG1 4.44Å; P485-I510 HydrophobicContact CG-CG2 4.34Å; P485-V514 HydrophobicContact CB-CB 4.33Å; P485-V514 HydrophobicContact CB-CG1 4.01Å; P485-V514 CarbonylContact O-C 3.56Å; P485-V514 VanDerWaalsContact O-CA 3.27Å; P485-V514 WeakPolarHBondContact O-CA 3.29Å; P485-V514 VanDerWaalsContact O-CB 3.27Å; P485-V514 WeakPolarHBondContact O-CB 3.44Å; P485-V515 PolarHBondContact O-N 3.36Å
486	W	95.3	Very high	91.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-65.8	-38.8	177.3	-67.7	103.5	0	0	0	113.4	F120 E137 Y140 M484 R492 V515 E516	F120-W486 AromaticContact CD1-CZ2 3.94Å; F120-W486 HydrophobicContact CD1-CZ2 3.94Å; F120-W486 HydrophobicContact CD2-CZ2 4.21Å; F120-W486 AromaticContact CE1-CH2 3.98Å; F120-W486 HydrophobicContact CE1-CH2 3.98Å; F120-W486 AromaticContact CE1-CZ2 3.51Å; F120-W486 HydrophobicContact CE1-CZ2 3.51Å; F120-W486 HydrophobicContact CE2-CH2 4.17Å; F120-W486 AromaticContact CE2-CZ2 3.74Å; F120-W486 HydrophobicContact CE2-CZ2 3.74Å; F120-W486 HydrophobicContact CG-CZ2 4.33Å; F120-W486 AromaticContact CZ-CH2 3.61Å; F120-W486 HydrophobicContact CZ-CH2 3.61Å; F120-W486 AromaticContact CZ-CZ2 3.39Å; F120-W486 HydrophobicContact CZ-CZ2 3.39Å; F120-W486 PolarHBondContact O-NE1 2.85Å; E137-W486 HydrophobicContact CB-CH2 3.72Å; E137-W486 HydrophobicContact CB-CZ2 4.14Å; E137-W486 HydrophobicContact CB-CZ3 4.43Å; E137-W486 HydrophobicContact CG-CH2 3.52Å; E137-W486 HydrophobicContact CG-CZ2 3.69Å; E137-W486 HydrophobicContact CG-CZ3 4.02Å; E137-W486 WeakPolarHBondContact OE2-CZ3 3.38Å; Y140-W486 AromaticContact CD1-CH2 3.69Å; Y140-W486 HydrophobicContact CD1-CH2 3.69Å; Y140-W486 AromaticContact CD1-CZ3 3.92Å; Y140-W486 HydrophobicContact CD1-CZ3 3.92Å; Y140-W486 HydrophobicContact CD2-CZ3 4.03Å; Y140-W486 AromaticContact CE1-CH2 3.98Å; Y140-W486 HydrophobicContact CE1-CH2 3.98Å; Y140-W486 HydrophobicContact CE1-CZ3 4.14Å; Y140-W486 HydrophobicContact CE2-CZ3 4.24Å; Y140-W486 HydrophobicContact CG-CH2 4.05Å; Y140-W486 AromaticContact CG-CZ3 3.87Å; Y140-W486 HydrophobicContact CG-CZ3 3.87Å; M484-W486 HydrophobicContact CG-CD2 4.17Å; M484-W486 HydrophobicContact CG-CG 4.43Å; M484-W486 HydrophobicContact CG-CZ2 3.83Å; M484-W486 PolarHBondContact O-N 2.78Å; W486-R492 HydrophobicContact CB-CB 3.41Å; W486-R492 VanDerWaalsContact CB-CB 3.41Å; W486-R492 HydrophobicContact CG-CB 4.22Å; W486-V515 HydrophobicContact CD2-CG2 4.35Å; W486-V515 HydrophobicContact CE3-CB 3.93Å; W486-V515 HydrophobicContact CE3-CG1 3.86Å; W486-V515 HydrophobicContact CE3-CG2 3.72Å; W486-V515 HydrophobicContact CZ3-CB 4.49Å; W486-V515 HydrophobicContact CZ3-CG1 4.07Å; W486-V515 HydrophobicContact CZ3-CG2 4.09Å; W486-V515 WeakPolarHBondContact O-CB 3.39Å; W486-E516 WeakPolarHBondContact O-CB 3.49Å; W486-E516 PolarHBondContact O-N 2.95Å
487	D	94.2	Very high	92.8	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.043	13%	0.131	C	C	.	.	S	Bend	trans	-145.4	176	179.8	60.9	4.4	0	0	0	110.2	S489 G490 Q491 R492 F502 E516	D487-S489 PolarHBondContact OD2-OG 3.41Å; D487-G490 VanDerWaalsContact OD1-C 3.3Å; D487-G490 WeakPolarHBondContact OD1-CA 3.46Å; D487-G490 PolarHBondContact OD1-N 2.97Å; D487-Q491 PolarHBondContact OD1-N 3.47Å; D487-Q491 PolarHBondContact OD2-N 3.07Å; D487-R492 HydrophobicContact CB-CB 4.27Å; D487-R492 HydrophobicContact CB-CG 4.25Å; D487-R492 WeakPolarHBondContact OD2-CB 3.45Å; D487-R492 VanDerWaalsContact OD2-CG 3.31Å; D487-R492 WeakPolarHBondContact OD2-CG 3.42Å; D487-R492 PolarHBondContact OD2-N 2.87Å; D487-F502 WeakPolarHBondContact O-CE1 3.4Å; D487-E516 HydrophobicContact CB-CB 4.39Å; D487-E516 WeakPolarHBondContact CB-OE2 3.32Å
488	T	91.8	Very high	93.2	Very high	44 Å²	44	28.7 Å²	28.7	27%	0.27	17%	0.17	S	C	.	.	S	Bend	trans	-80.4	-25.3	-179.4	-55.6	0	0	0	0	112.5	K503	T488-K503 HydrophobicContact CG2-CG 4.33Å; T488-K503 WeakPolarHBondContact O-CA 3.45Å
489	S	92.9	Very high	93.6	Very high	48 Å²	48	31.5 Å²	31.5	34%	0.336	19%	0.185	S	C	.	.	S	Bend	trans	-81.2	-24.9	-178.6	59.8	0	0	0	0	113.1	D487 Q491 I497	D487-S489 PolarHBondContact OD2-OG 3.41Å; S489-Q491 VanDerWaalsContact C-N 3.31Å; S489-Q491 PolarHBondContact OG-N 3.44Å; S489-I497 WeakPolarHBondContact O-CG2 3.47Å
490	G	94.4	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	87.7	-7.7	-169.8	0	0	0	0	0	113.8	D487 R492 F493 S494 I497 F502	D487-G490 VanDerWaalsContact OD1-C 3.3Å; D487-G490 WeakPolarHBondContact OD1-CA 3.46Å; D487-G490 PolarHBondContact OD1-N 2.97Å; G490-R492 VanDerWaalsContact C-N 3.26Å; G490-R492 PolarHBondContact O-N 3.35Å; G490-F493 WeakPolarHBondContact O-CA 3.27Å; G490-F493 WeakPolarHBondContact O-CB 3.21Å; G490-F493 PolarHBondContact O-N 2.61Å; G490-S494 PolarHBondContact O-N 3.33Å; G490-I497 WeakPolarHBondContact O-CD1 3.21Å; G490-F502 VanDerWaalsContact N-CD1 3.35Å
491	Q	96.2	Very high	93.9	Very high	116 Å²	116	35.3 Å²	35.3	54%	0.542	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.5	-172.9	-72.7	-177.8	-0.1	0	0	113.1	D487 S489 S494 G495 I497	D487-Q491 PolarHBondContact OD1-N 3.47Å; D487-Q491 PolarHBondContact OD2-N 3.07Å; S489-Q491 VanDerWaalsContact C-N 3.31Å; S489-Q491 PolarHBondContact OG-N 3.44Å; Q491-S494 WeakPolarHBondContact CA-O 3.41Å; Q491-S494 CarbonylContact O-C 3.58Å; Q491-S494 VanDerWaalsContact O-C 3.23Å; Q491-G495 PolarHBondContact O-N 3.13Å; Q491-I497 WeakPolarHBondContact CG-O 3.48Å
492	R	96.4	Very high	94	Very high	91 Å²	91	34.9 Å²	34.9	34%	0.343	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.3	171.6	-74.6	-168.8	68	-166	-2.3	113.8	K121 E137 W486 D487 G490	K121-R492 WeakPolarHBondContact CE-O 2.99Å; E137-R492 IonicContact OE1-NH2 3.06Å; E137-R492 PolarHBondContact OE1-NH2 2.99Å; E137-R492 VanDerWaalsContact OE1-NH2 3.13Å; E137-R492 IonicContact OE2-NH2 2.93Å; W486-R492 HydrophobicContact CB-CB 3.41Å; W486-R492 VanDerWaalsContact CB-CB 3.41Å; W486-R492 HydrophobicContact CG-CB 4.22Å; D487-R492 HydrophobicContact CB-CB 4.27Å; D487-R492 HydrophobicContact CB-CG 4.25Å; D487-R492 WeakPolarHBondContact OD2-CB 3.45Å; D487-R492 VanDerWaalsContact OD2-CG 3.31Å; D487-R492 WeakPolarHBondContact OD2-CG 3.42Å; D487-R492 PolarHBondContact OD2-N 2.87Å; G490-R492 VanDerWaalsContact C-N 3.26Å; G490-R492 PolarHBondContact O-N 3.35Å
493	F	97.2	Very high	94.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-51.7	168.3	169.4	-98.7	0	0	0	110	A119 D122 P483 G490 I497 F502	A119-F493 WeakPolarHBondContact O-CE2 3.28Å; D122-F493 WeakPolarHBondContact CB-O 3.45Å; D122-F493 PolarHBondContact N-O 3.31Å; P483-F493 HydrophobicContact CB-CD1 4.32Å; P483-F493 HydrophobicContact CB-CD2 4.08Å; P483-F493 HydrophobicContact CB-CE1 4.2Å; P483-F493 HydrophobicContact CB-CE2 3.96Å; P483-F493 HydrophobicContact CB-CG 4.27Å; P483-F493 HydrophobicContact CB-CZ 4.02Å; G490-F493 WeakPolarHBondContact O-CA 3.27Å; G490-F493 WeakPolarHBondContact O-CB 3.21Å; G490-F493 PolarHBondContact O-N 2.61Å; F493-I497 HydrophobicContact CD1-CD1 3.79Å; F493-F502 HydrophobicContact CB-CE2 3.78Å; F493-F502 HydrophobicContact CB-CZ 4.02Å; F493-F502 HydrophobicContact CD1-CD2 4.49Å; F493-F502 AromaticContact CD1-CE2 4Å; F493-F502 HydrophobicContact CD1-CE2 4Å; F493-F502 AromaticContact CG-CE2 3.92Å; F493-F502 HydrophobicContact CG-CE2 3.92Å
494	S	98	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.			trans	-146.4	128.3	174.2	174.5	0	0	0	0	110.6	D122 G490 Q491 A496 I497	D122-S494 WeakPolarHBondContact OD2-CB 3.17Å; D122-S494 PolarHBondContact OD2-OG 3.2Å; G490-S494 PolarHBondContact O-N 3.33Å; Q491-S494 WeakPolarHBondContact CA-O 3.41Å; Q491-S494 CarbonylContact O-C 3.58Å; Q491-S494 VanDerWaalsContact O-C 3.23Å; S494-A496 PolarHBondContact O-N 3.09Å; S494-A496 VanDerWaalsContact O-N 3.12Å; S494-A496 PolarHBondContact OG-N 3.06Å; S494-I497 PolarHBondContact O-N 2.8Å; S494-I497 VanDerWaalsContact O-N 3.14Å
495	G	96.9	Very high	93.4	Very high	68 Å²	68	44.1 Å²	44.1	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.7	176	0	0	0	0	0	114	Q491 I497	Q491-G495 PolarHBondContact O-N 3.13Å; G495-I497 VanDerWaalsContact C-N 3.3Å
496	A	96.7	Very high	93.1	Very high	40 Å²	40	44.2 Å²	44.2	33%	0.331	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.5	177	0	0	0	0	0	113.5	G125 L127 S494 N498	G125-A496 WeakPolarHBondContact O-CB 3.31Å; L127-A496 HydrophobicContact CD2-CB 3.86Å; L127-A496 HydrophobicContact CG-CB 4.34Å; S494-A496 PolarHBondContact O-N 3.09Å; S494-A496 VanDerWaalsContact O-N 3.12Å; S494-A496 PolarHBondContact OG-N 3.06Å; A496-N498 PolarHBondContact O-N 3.35Å
497	I	96.1	Very high	92.6	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	29%	0.286	C	S	.	.			trans	-75.2	110.1	179.1	-63.6	171	0	0	0	110.2	L127 L460 S489 G490 Q491 F493 S494 G495 F502	L127-I497 HydrophobicContact CD2-CD1 4.27Å; L127-I497 HydrophobicContact CD2-CG1 3.51Å; L460-I497 HydrophobicContact CD2-CD1 3.51Å; L460-I497 HydrophobicContact CD2-CG1 3.98Å; S489-I497 WeakPolarHBondContact O-CG2 3.47Å; G490-I497 WeakPolarHBondContact O-CD1 3.21Å; Q491-I497 WeakPolarHBondContact CG-O 3.48Å; F493-I497 HydrophobicContact CD1-CD1 3.79Å; S494-I497 PolarHBondContact O-N 2.8Å; S494-I497 VanDerWaalsContact O-N 3.14Å; G495-I497 VanDerWaalsContact C-N 3.3Å; I497-F502 HydrophobicContact CD1-CB 4.25Å; I497-F502 HydrophobicContact CD1-CD2 3.68Å; I497-F502 HydrophobicContact CD1-CE2 4.4Å; I497-F502 HydrophobicContact CD1-CG 4.27Å; I497-F502 HydrophobicContact CG2-CB 3.99Å
498	N	93.7	Very high	91.8	Very high	150 Å²	150	57.1 Å²	57.1	80%	0.802	31%	0.309	S	S	*	.			trans	-125.8	4.5	179	63	12.2	0	0	0	113.7	A496	A496-N498 PolarHBondContact O-N 3.35Å
499	D	92.7	Very high	90.9	Very high	62 Å²	62	56.1 Å²	56.1	33%	0.332	30%	0.302	S	S	.	.	S	Bend	trans	-113.6	-178.6	178.8	79.1	12.1	0	0	0	112.5	K459 S501	K459-D499 IonicContact NZ-OD2 2.77Å; K459-D499 PolarHBondContact NZ-OD2 2.94Å; D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.82Å; D499-S501 WeakPolarHBondContact OD1-CB 3.31Å; D499-S501 PolarHBondContact OD1-N 3.09Å; D499-S501 PolarHBondContact OD1-OG 3.39Å
500	S	91.4	Very high	89.9	Confident	70 Å²	70	54.1 Å²	54.1	49%	0.49	29%	0.288	S	S	.	.	S	Bend	trans	-81.8	-0.4	-178.2	69.3	0	0	0	0	114.3	F502 K503 D504	S500-F502 PolarHBondContact O-N 3.08Å; S500-K503 PolarHBondContact O-N 3.23Å; S500-D504 WeakPolarHBondContact O-CB 3.32Å; S500-D504 VanDerWaalsContact O-CG 3.3Å; S500-D504 PolarHBondContact O-N 3.22Å; S500-D504 PolarHBondContact OG-OD2 3.13Å
501	S	90	Very high	88.9	Confident	26 Å²	26	62.5 Å²	62.5	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-45.1	-170.5	61.4	0	0	0	0	112.4	D499 D504 Y505	D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.82Å; D499-S501 WeakPolarHBondContact OD1-CB 3.31Å; D499-S501 PolarHBondContact OD1-N 3.09Å; D499-S501 PolarHBondContact OD1-OG 3.39Å; S501-D504 PolarHBondContact O-N 3.03Å; S501-Y505 PolarHBondContact O-N 3.17Å
502	F	91.7	Very high	87.6	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-70.7	-41.7	179.5	-160	-82.4	0	0	0	112.2	L460 P483 D487 G490 F493 I497 S500 D504 Y505 V506	L460-F502 HydrophobicContact CD1-CB 4.1Å; L460-F502 HydrophobicContact CD1-CD2 3.82Å; L460-F502 HydrophobicContact CD1-CG 4.32Å; L460-F502 HydrophobicContact CD2-CB 4.41Å; L460-F502 HydrophobicContact CD2-CD2 4.04Å; P483-F502 HydrophobicContact CB-CE2 3.66Å; P483-F502 HydrophobicContact CB-CZ 4.35Å; D487-F502 WeakPolarHBondContact O-CE1 3.4Å; G490-F502 VanDerWaalsContact N-CD1 3.35Å; F493-F502 HydrophobicContact CB-CE2 3.78Å; F493-F502 HydrophobicContact CB-CZ 4.02Å; F493-F502 HydrophobicContact CD1-CD2 4.49Å; F493-F502 AromaticContact CD1-CE2 4Å; F493-F502 HydrophobicContact CD1-CE2 4Å; F493-F502 AromaticContact CG-CE2 3.92Å; F493-F502 HydrophobicContact CG-CE2 3.92Å; I497-F502 HydrophobicContact CD1-CB 4.25Å; I497-F502 HydrophobicContact CD1-CD2 3.68Å; I497-F502 HydrophobicContact CD1-CE2 4.4Å; I497-F502 HydrophobicContact CD1-CG 4.27Å; I497-F502 HydrophobicContact CG2-CB 3.99Å; S500-F502 PolarHBondContact O-N 3.08Å; F502-D504 VanDerWaalsContact C-N 3.26Å; F502-D504 PolarHBondContact O-N 3.27Å; F502-Y505 HydrophobicContact CD1-CD1 4.32Å; F502-Y505 HydrophobicContact CD2-CD1 4.32Å; F502-Y505 HydrophobicContact CE1-CD1 4.21Å; F502-Y505 HydrophobicContact CE1-CE1 4.4Å; F502-Y505 HydrophobicContact CE2-CD1 4.23Å; F502-Y505 HydrophobicContact CE2-CE1 4.32Å; F502-Y505 HydrophobicContact CG-CD1 4.38Å; F502-Y505 HydrophobicContact CZ-CD1 4.17Å; F502-Y505 HydrophobicContact CZ-CE1 4.07Å; F502-Y505 CarbonylContact O-C 3.58Å; F502-Y505 WeakPolarHBondContact O-CA 3.46Å; F502-Y505 WeakPolarHBondContact O-CB 3.4Å; F502-Y505 PolarHBondContact O-N 2.89Å; F502-Y505 VanDerWaalsContact O-N 3.1Å; F502-V506 HydrophobicContact CD1-CG2 3.64Å; F502-V506 HydrophobicContact CE1-CG2 3.5Å; F502-V506 VanDerWaalsContact CE1-CG2 3.5Å; F502-V506 WeakPolarHBondContact O-CG2 3.11Å; F502-V506 PolarHBondContact O-N 3.38Å
503	K	90	Very high	86.8	Confident	124 Å²	124	57.7 Å²	57.7	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-40.7	174	-173.9	177.2	-177	176.2	0	111.6	T488 S500 V506 K507	T488-K503 HydrophobicContact CG2-CG 4.33Å; T488-K503 WeakPolarHBondContact O-CA 3.45Å; S500-K503 PolarHBondContact O-N 3.23Å; K503-V506 PolarHBondContact O-N 2.85Å; K503-K507 VanDerWaalsContact O-CB 3.27Å; K503-K507 WeakPolarHBondContact O-CB 3.29Å; K503-K507 PolarHBondContact O-N 2.95Å
504	D	87.2	Confident	86.5	Confident	62 Å²	62	57.7 Å²	57.7	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-67	-39.8	175.2	-72.6	-29.6	0	0	0	111.9	S500 S501 F502 K508	S500-D504 WeakPolarHBondContact O-CB 3.32Å; S500-D504 VanDerWaalsContact O-CG 3.3Å; S500-D504 PolarHBondContact O-N 3.22Å; S500-D504 PolarHBondContact OG-OD2 3.13Å; S501-D504 PolarHBondContact O-N 3.03Å; F502-D504 VanDerWaalsContact C-N 3.26Å; F502-D504 PolarHBondContact O-N 3.27Å; D504-K508 VanDerWaalsContact O-CB 3.27Å; D504-K508 WeakPolarHBondContact O-CB 3.13Å; D504-K508 WeakPolarHBondContact O-CD 3.38Å; D504-K508 WeakPolarHBondContact O-CG 3.42Å; D504-K508 PolarHBondContact O-N 2.68Å
505	Y	85.6	Confident	86.2	Confident	12 Å²	12	57.8 Å²	57.8	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-51.2	172.1	157.9	-104.9	0	0	0	111.7	L451 Q482 P483 S501 F502 K507 K508 N509 I510	L451-Y505 HydrophobicContact CD2-CD2 3.93Å; L451-Y505 HydrophobicContact CD2-CE2 3.8Å; Q482-Y505 HydrophobicContact CB-CE2 4.23Å; Q482-Y505 WeakPolarHBondContact CB-OH 3.4Å; P483-Y505 HydrophobicContact CB-CE1 4.33Å; P483-Y505 WeakPolarHBondContact O-CE1 3.38Å; P483-Y505 PolarHBondContact O-OH 2.88Å; S501-Y505 PolarHBondContact O-N 3.17Å; F502-Y505 HydrophobicContact CD1-CD1 4.32Å; F502-Y505 HydrophobicContact CD2-CD1 4.32Å; F502-Y505 HydrophobicContact CE1-CD1 4.21Å; F502-Y505 HydrophobicContact CE1-CE1 4.4Å; F502-Y505 HydrophobicContact CE2-CD1 4.23Å; F502-Y505 HydrophobicContact CE2-CE1 4.32Å; F502-Y505 HydrophobicContact CG-CD1 4.38Å; F502-Y505 HydrophobicContact CZ-CD1 4.17Å; F502-Y505 HydrophobicContact CZ-CE1 4.07Å; F502-Y505 CarbonylContact O-C 3.58Å; F502-Y505 WeakPolarHBondContact O-CA 3.46Å; F502-Y505 WeakPolarHBondContact O-CB 3.4Å; F502-Y505 PolarHBondContact O-N 2.89Å; F502-Y505 VanDerWaalsContact O-N 3.1Å; Y505-K507 PolarHBondContact O-N 2.87Å; Y505-K508 PolarHBondContact O-N 2.67Å; Y505-N509 VanDerWaalsContact CD2-ND2 3.35Å; Y505-N509 WeakPolarHBondContact CD2-ND2 3.31Å; Y505-N509 HydrophobicContact CE2-CB 4.48Å; Y505-N509 WeakPolarHBondContact O-CB 3.36Å; Y505-N509 PolarHBondContact O-N 3.13Å; Y505-N509 PolarHBondContact O-ND2 2.96Å; Y505-I510 HydrophobicContact CD1-CD1 4.29Å; Y505-I510 HydrophobicContact CE1-CD1 3.55Å; Y505-I510 HydrophobicContact CE2-CD1 4.45Å
506	V	87.1	Confident	85.9	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-47.9	178.1	170.7	0	0	0	0	111.2	P485 F502 K503 K508 N509 I510 K511 V514	P485-V506 HydrophobicContact CB-CG2 4.34Å; F502-V506 HydrophobicContact CD1-CG2 3.64Å; F502-V506 HydrophobicContact CE1-CG2 3.5Å; F502-V506 VanDerWaalsContact CE1-CG2 3.5Å; F502-V506 WeakPolarHBondContact O-CG2 3.11Å; F502-V506 PolarHBondContact O-N 3.38Å; K503-V506 PolarHBondContact O-N 2.85Å; V506-K508 VanDerWaalsContact C-N 3.32Å; V506-K508 PolarHBondContact O-N 3.36Å; V506-N509 PolarHBondContact O-N 2.78Å; V506-I510 HydrophobicContact CG1-CB 4.49Å; V506-I510 HydrophobicContact CG2-CD1 4.19Å; V506-I510 PolarHBondContact O-N 2.83Å; V506-K511 PolarHBondContact O-N 2.74Å; V506-K511 VanDerWaalsContact O-N 3.16Å; V506-V514 HydrophobicContact CG1-CG1 3.56Å; V506-V514 HydrophobicContact CG2-CG1 4.08Å
507	K	84.2	Confident	85.5	Confident	155 Å²	155	59.9 Å²	59.9	67%	0.674	30%	0.299	S	S	*	.	H	α-helix	trans	-61.2	-40	-179	-177	178	177.3	-177.9	0	112.1	K503 Y505	K503-K507 VanDerWaalsContact O-CB 3.27Å; K503-K507 WeakPolarHBondContact O-CB 3.29Å; K503-K507 PolarHBondContact O-N 2.95Å; Y505-K507 PolarHBondContact O-N 2.87Å
508	K	77.7	Confident	85	Confident	124 Å²	124	59.7 Å²	59.7	54%	0.539	30%	0.298	S	S	.	.	H	α-helix	trans	-77.6	-34.8	-176.8	-73.1	168.8	-174.9	162.3	0	113.1	N452 D504 Y505 V506	N452-K508 PolarHBondContact ND2-O 3.37Å; D504-K508 VanDerWaalsContact O-CB 3.27Å; D504-K508 WeakPolarHBondContact O-CB 3.13Å; D504-K508 WeakPolarHBondContact O-CD 3.38Å; D504-K508 WeakPolarHBondContact O-CG 3.42Å; D504-K508 PolarHBondContact O-N 2.68Å; Y505-K508 PolarHBondContact O-N 2.67Å; V506-K508 VanDerWaalsContact C-N 3.32Å; V506-K508 PolarHBondContact O-N 3.36Å
509	N	73.6	Confident	84.6	Confident	23 Å²	23	55.4 Å²	55.4	12%	0.123	28%	0.278	C	S	.	.	H	α-helix	trans	-116.5	-29.1	-165.5	-53.2	-60.1	0	0	0	114.3	L451 N452 Y505 V506	L451-N509 WeakPolarHBondContact CA-OD1 3.39Å; L451-N509 HydrophobicContact CD2-CB 4.18Å; L451-N509 WeakPolarHBondContact CD2-ND2 3.4Å; N452-N509 PolarHBondContact N-OD1 3.04Å; Y505-N509 VanDerWaalsContact CD2-ND2 3.35Å; Y505-N509 WeakPolarHBondContact CD2-ND2 3.31Å; Y505-N509 HydrophobicContact CE2-CB 4.48Å; Y505-N509 WeakPolarHBondContact O-CB 3.36Å; Y505-N509 PolarHBondContact O-N 3.13Å; Y505-N509 PolarHBondContact O-ND2 2.96Å; V506-N509 PolarHBondContact O-N 2.78Å
510	I	72.1	Confident	83.8	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-9.1	-169.3	-55.2	155.9	0	0	0	112.3	M448 P485 Y505 V506 S512 E513	M448-I510 HydrophobicContact CG-CG1 4.13Å; M448-I510 HydrophobicContact SD-CD1 4.47Å; P485-I510 HydrophobicContact CB-CD1 3.44Å; P485-I510 VanDerWaalsContact CB-CD1 3.44Å; P485-I510 HydrophobicContact CG-CD1 3.53Å; P485-I510 HydrophobicContact CG-CG1 4.44Å; P485-I510 HydrophobicContact CG-CG2 4.34Å; Y505-I510 HydrophobicContact CD1-CD1 4.29Å; Y505-I510 HydrophobicContact CE1-CD1 3.55Å; Y505-I510 HydrophobicContact CE2-CD1 4.45Å; V506-I510 HydrophobicContact CG1-CB 4.49Å; V506-I510 HydrophobicContact CG2-CD1 4.19Å; V506-I510 PolarHBondContact O-N 2.83Å; I510-S512 PolarHBondContact O-N 2.95Å; I510-S512 VanDerWaalsContact O-N 3.09Å; I510-E513 HydrophobicContact CG2-CB 4.22Å; I510-E513 WeakPolarHBondContact CG2-O 3.46Å; I510-E513 PolarHBondContact O-N 3.43Å
511	K	73.3	Confident	82.9	Confident	176 Å²	176	59.1 Å²	59.1	77%	0.765	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	35.8	-179.8	-60.2	-177.7	179.6	179.3	0	113	V506	V506-K511 PolarHBondContact O-N 2.74Å; V506-K511 VanDerWaalsContact O-N 3.16Å
512	S	67.6	Low	81.8	Confident	65 Å²	65	67.6 Å²	67.6	46%	0.455	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	10.3	176	-45.1	0	0	0	0	117.7	I510 V514 N517	I510-S512 PolarHBondContact O-N 2.95Å; I510-S512 VanDerWaalsContact O-N 3.09Å; S512-V514 PolarHBondContact O-N 2.99Å; S512-N517 PolarHBondContact O-ND2 3.05Å
513	E	79.9	Confident	80.7	Confident	42 Å²	42	70.2 Å²	70.2	20%	0.196	36%	0.355	C	S	.	.			trans	-79.1	70.8	168.4	-69.5	-171.8	-125.2	0	0	111	K423 I510	K423-E513 IonicContact NZ-OE1 3.57Å; K423-E513 PolarHBondContact NZ-OE1 3.46Å; I510-E513 HydrophobicContact CG2-CB 4.22Å; I510-E513 WeakPolarHBondContact CG2-O 3.46Å; I510-E513 PolarHBondContact O-N 3.43Å
514	V	90.3	Very high	79.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.35	C	S	.	.			trans	-95.1	158.2	173.8	-50.3	0	0	0	0	110.5	P485 V506 S512 E516 N517 V518	P485-V514 HydrophobicContact CB-CB 4.33Å; P485-V514 HydrophobicContact CB-CG1 4.01Å; P485-V514 CarbonylContact O-C 3.56Å; P485-V514 VanDerWaalsContact O-CA 3.27Å; P485-V514 WeakPolarHBondContact O-CA 3.29Å; P485-V514 VanDerWaalsContact O-CB 3.27Å; P485-V514 WeakPolarHBondContact O-CB 3.44Å; V506-V514 HydrophobicContact CG1-CG1 3.56Å; V506-V514 HydrophobicContact CG2-CG1 4.08Å; S512-V514 PolarHBondContact O-N 2.99Å; V514-E516 HydrophobicContact CG2-CB 4.38Å; V514-E516 PolarHBondContact O-N 2.67Å; V514-N517 HydrophobicContact CG2-CB 3.81Å; V514-N517 WeakPolarHBondContact O-CB 3.31Å; V514-N517 PolarHBondContact O-N 2.95Å; V514-V518 PolarHBondContact O-N 2.82Å
515	V	92.7	Very high	79.5	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-53.6	-50.1	-176.5	178.6	0	0	0	0	112.1	Y140 L446 M484 P485 W486 N517 V518 V519	Y140-V515 HydrophobicContact CD2-CG1 4.11Å; Y140-V515 HydrophobicContact CE2-CG1 3.58Å; Y140-V515 HydrophobicContact CE2-CG2 4.33Å; L446-V515 HydrophobicContact CD1-CG2 3.78Å; L446-V515 HydrophobicContact CD2-CG2 4.25Å; M484-V515 HydrophobicContact CE-CG2 3.62Å; P485-V515 PolarHBondContact O-N 3.36Å; W486-V515 HydrophobicContact CD2-CG2 4.35Å; W486-V515 HydrophobicContact CE3-CB 3.93Å; W486-V515 HydrophobicContact CE3-CG1 3.86Å; W486-V515 HydrophobicContact CE3-CG2 3.72Å; W486-V515 HydrophobicContact CZ3-CB 4.49Å; W486-V515 HydrophobicContact CZ3-CG1 4.07Å; W486-V515 HydrophobicContact CZ3-CG2 4.09Å; W486-V515 WeakPolarHBondContact O-CB 3.39Å; V515-N517 PolarHBondContact O-N 3.44Å; V515-N517 VanDerWaalsContact O-N 3.16Å; V515-V518 WeakPolarHBondContact O-CG2 3.09Å; V515-V518 PolarHBondContact O-N 2.94Å; V515-V519 HydrophobicContact CG1-CG2 3.4Å; V515-V519 WeakPolarHBondContact O-CB 3.29Å; V515-V519 VanDerWaalsContact O-CG2 3.25Å; V515-V519 WeakPolarHBondContact O-CG2 3.31Å; V515-V519 PolarHBondContact O-N 3.01Å
516	E	91	Very high	79.6	Confident	114 Å²	114	69.8 Å²	69.8	53%	0.533	35%	0.354	S	S	.	.	H	α-helix	trans	-54.6	-33.9	177.4	-178.3	-174.3	-156.4	0	0	113.1	W486 D487 V514	W486-E516 WeakPolarHBondContact O-CB 3.49Å; W486-E516 PolarHBondContact O-N 2.95Å; D487-E516 HydrophobicContact CB-CB 4.39Å; D487-E516 WeakPolarHBondContact CB-OE2 3.32Å; V514-E516 HydrophobicContact CG2-CB 4.38Å; V514-E516 PolarHBondContact O-N 2.67Å
517	N	87.5	Confident	79.7	Confident	37 Å²	37	69.8 Å²	69.8	20%	0.198	35%	0.354	C	S	.	.	H	α-helix	trans	-82.7	-16.9	-179.3	-78.4	-19.8	0	0	0	113.4	S512 V514 V515 R521	S512-N517 PolarHBondContact O-ND2 3.05Å; V514-N517 HydrophobicContact CG2-CB 3.81Å; V514-N517 WeakPolarHBondContact O-CB 3.31Å; V514-N517 PolarHBondContact O-N 2.95Å; V515-N517 PolarHBondContact O-N 3.44Å; V515-N517 VanDerWaalsContact O-N 3.16Å; N517-R521 WeakPolarHBondContact O-CD 3.4Å; N517-R521 VanDerWaalsContact O-CG 3.27Å; N517-R521 WeakPolarHBondContact O-CG 3.4Å; N517-R521 PolarHBondContact O-NE 3.28Å; N517-R521 PolarHBondContact O-NH1 3.32Å; N517-R521 PolarHBondContact OD1-NH2 3.36Å
518	V	86.4	Confident	80	Confident	2 Å²	2	63 Å²	63	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-110.8	-33.5	-176.4	-59.8	0	0	0	0	112	L446 V514 V515 G520 R521 T526 Y528	L446-V518 HydrophobicContact CD2-CG2 3.61Å; V514-V518 PolarHBondContact O-N 2.82Å; V515-V518 WeakPolarHBondContact O-CG2 3.09Å; V515-V518 PolarHBondContact O-N 2.94Å; V518-G520 PolarHBondContact O-N 3.35Å; V518-R521 PolarHBondContact O-N 3.29Å; V518-T526 HydrophobicContact CG1-CG2 4.19Å; V518-Y528 HydrophobicContact CB-CD1 4.05Å; V518-Y528 HydrophobicContact CB-CD2 4.49Å; V518-Y528 HydrophobicContact CB-CG 3.9Å; V518-Y528 HydrophobicContact CG2-CD1 3.98Å; V518-Y528 HydrophobicContact CG2-CD2 3.6Å; V518-Y528 HydrophobicContact CG2-CE2 4.12Å; V518-Y528 HydrophobicContact CG2-CG 3.5Å; V518-Y528 VanDerWaalsContact CG2-CG 3.5Å
519	V	85.5	Confident	80.6	Confident	61 Å²	61	58.2 Å²	58.2	37%	0.37	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	127.4	176	176.6	0	0	0	0	109.7	Y140 V515 R521 Y528	Y140-V519 HydrophobicContact CE2-CG2 4.22Å; V515-V519 HydrophobicContact CG1-CG2 3.4Å; V515-V519 WeakPolarHBondContact O-CB 3.29Å; V515-V519 VanDerWaalsContact O-CG2 3.25Å; V515-V519 WeakPolarHBondContact O-CG2 3.31Å; V515-V519 PolarHBondContact O-N 3.01Å; V519-R521 PolarHBondContact O-N 2.78Å; V519-Y528 HydrophobicContact CG2-CE2 4.09Å; V519-Y528 WeakPolarHBondContact CG2-OH 3.29Å
520	G	74.3	Confident	81.4	Confident	77 Å²	77	57.1 Å²	57.1	79%	0.794	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-3.7	177.3	0	0	0	0	0	115	V518	V518-G520 PolarHBondContact O-N 3.35Å
521	R	74.1	Confident	82.4	Confident	132 Å²	132	56.8 Å²	56.8	50%	0.498	30%	0.297	S	S	.	.			trans	-74.1	136	169.9	-72.5	-158.2	-178.5	154.6	9.9	110.2	N517 V518 V519 C523	N517-R521 WeakPolarHBondContact O-CD 3.4Å; N517-R521 VanDerWaalsContact O-CG 3.27Å; N517-R521 WeakPolarHBondContact O-CG 3.4Å; N517-R521 PolarHBondContact O-NE 3.28Å; N517-R521 PolarHBondContact O-NH1 3.32Å; N517-R521 PolarHBondContact OD1-NH2 3.36Å; V518-R521 PolarHBondContact O-N 3.29Å; V519-R521 PolarHBondContact O-N 2.78Å; R521-C523 HydrophobicContact CB-CB 4.28Å; R521-C523 PolarHBondContact O-N 3.36Å; R521-C523 VanDerWaalsContact O-N 3.15Å
522	Q	65.5	Low	83.2	Confident	205 Å²	205	50.8 Å²	50.8	96%	0.958	27%	0.272	S	S	*	.			trans	-86.1	51.2	168.4	-66.7	-178.7	-19.1	0	0	110.6
523	C	68.6	Low	84.4	Confident	54 Å²	54	49.9 Å²	49.9	37%	0.365	26%	0.258	S	S	.	.			trans	-116.4	90.6	-176.5	-172.3	0	0	0	0	111	R521 Q525 T526	R521-C523 HydrophobicContact CB-CB 4.28Å; R521-C523 PolarHBondContact O-N 3.36Å; R521-C523 VanDerWaalsContact O-N 3.15Å; C523-Q525 PolarHBondContact O-N 2.95Å; C523-T526 PolarHBondContact O-N 3.1Å
524	E	71.5	Confident	85.1	Confident	95 Å²	95	47.9 Å²	47.9	44%	0.444	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	12.6	-176.6	-60.9	-168	172.8	0	0	116.6	R533	E524-R533 PolarHBondContact O-NH2 3.35Å; E524-R533 IonicContact OE2-NH1 2.91Å; E524-R533 PolarHBondContact OE2-NH1 3.21Å
525	Q	81.6	Confident	85.2	Confident	79 Å²	79	48.3 Å²	48.3	37%	0.369	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-12	-177.8	-53.8	-50.5	-47.8	0	0	114.5	C523 Y604 S606	C523-Q525 PolarHBondContact O-N 2.95Å; Q525-Y604 WeakPolarHBondContact O-CE2 3.48Å; Q525-Y604 PolarHBondContact O-OH 3.46Å; Q525-S606 VanDerWaalsContact NE2-CB 3.28Å; Q525-S606 PolarHBondContact NE2-OG 3.04Å; Q525-S606 VanDerWaalsContact OE1-N 3.09Å
526	T	87.7	Confident	85.2	Confident	16 Å²	16	53.7 Å²	53.7	10%	0.098	28%	0.28	C	S	.	.	S	Bend	trans	-75.6	156.1	179.2	77.7	0	0	0	0	111.2	V518 C523 Y528 D529 L530 Y604	V518-T526 HydrophobicContact CG1-CG2 4.19Å; C523-T526 PolarHBondContact O-N 3.1Å; T526-Y528 PolarHBondContact O-N 3.4Å; T526-Y528 PolarHBondContact OG1-N 3.35Å; T526-D529 PolarHBondContact O-N 3.26Å; T526-D529 VanDerWaalsContact OG1-CG 3.24Å; T526-D529 PolarHBondContact OG1-N 2.95Å; T526-D529 PolarHBondContact OG1-OD2 3.23Å; T526-L530 PolarHBondContact O-N 2.76Å; T526-L530 VanDerWaalsContact O-N 3.1Å; T526-Y604 WeakPolarHBondContact O-CE2 3.33Å
527	V	89.7	Confident	85.4	Confident	1 Å²	1	49 Å²	49	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-33.9	173.2	-179.4	0	0	0	0	110.4	V425 L428 E445 L530 V531	V425-V527 HydrophobicContact CG1-CG1 4.26Å; V425-V527 HydrophobicContact CG1-CG2 3.78Å; L428-V527 HydrophobicContact CD2-CG1 3.89Å; E445-V527 CarbonylContact O-C 3.6Å; E445-V527 VanDerWaalsContact O-C 3.3Å; V527-L530 WeakPolarHBondContact O-CB 3.44Å; V527-L530 PolarHBondContact O-N 3.28Å; V527-V531 HydrophobicContact CG1-CG2 4.44Å; V527-V531 WeakPolarHBondContact O-CG2 3.14Å; V527-V531 PolarHBondContact O-N 3.49Å
528	Y	90.2	Very high	85.7	Confident	11 Å²	11	47.6 Å²	47.6	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-50.5	175.7	176.4	-87	0	0	0	111.9	Y140 V144 E445 L446 V518 V519 T526 L530 V531 Q532	Y140-Y528 HydrophobicContact CE2-CE2 4.21Å; V144-Y528 HydrophobicContact CG1-CD2 4.39Å; V144-Y528 HydrophobicContact CG1-CE2 3.23Å; V144-Y528 WeakPolarHBondContact CG1-OH 3.5Å; V144-Y528 VanDerWaalsContact CG2-OH 3.27Å; V144-Y528 WeakPolarHBondContact CG2-OH 3.3Å; E445-Y528 WeakPolarHBondContact O-CA 3.38Å; E445-Y528 PolarHBondContact O-N 3.34Å; L446-Y528 HydrophobicContact CD2-CD2 3.94Å; V518-Y528 HydrophobicContact CB-CD1 4.05Å; V518-Y528 HydrophobicContact CB-CD2 4.49Å; V518-Y528 HydrophobicContact CB-CG 3.9Å; V518-Y528 HydrophobicContact CG2-CD1 3.98Å; V518-Y528 HydrophobicContact CG2-CD2 3.6Å; V518-Y528 HydrophobicContact CG2-CE2 4.12Å; V518-Y528 HydrophobicContact CG2-CG 3.5Å; V518-Y528 VanDerWaalsContact CG2-CG 3.5Å; V519-Y528 HydrophobicContact CG2-CE2 4.09Å; V519-Y528 WeakPolarHBondContact CG2-OH 3.29Å; T526-Y528 PolarHBondContact O-N 3.4Å; T526-Y528 PolarHBondContact OG1-N 3.35Å; Y528-L530 VanDerWaalsContact C-N 3.32Å; Y528-L530 PolarHBondContact O-N 2.86Å; Y528-V531 PolarHBondContact O-N 3.37Å; Y528-V531 VanDerWaalsContact O-N 3.11Å; Y528-Q532 HydrophobicContact CD1-CG 4.19Å; Y528-Q532 HydrophobicContact CE1-CG 3.84Å; Y528-Q532 WeakPolarHBondContact O-CG 3.39Å; Y528-Q532 PolarHBondContact O-N 3.25Å
529	D	88.7	Confident	85.9	Confident	24 Å²	24	51 Å²	51	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-31.5	179.4	-65.7	-54.6	0	0	0	112.6	T526 R533	T526-D529 PolarHBondContact O-N 3.26Å; T526-D529 VanDerWaalsContact OG1-CG 3.24Å; T526-D529 PolarHBondContact OG1-N 2.95Å; T526-D529 PolarHBondContact OG1-OD2 3.23Å; D529-R533 WeakPolarHBondContact O-CG 3.48Å; D529-R533 PolarHBondContact O-N 3.4Å; D529-R533 PolarHBondContact O-NE 2.93Å
530	L	91.3	Very high	86.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-51.6	167.8	169.9	67.1	0	0	0	110.4	V425 T526 V527 Y528 Q532 R533 L534 L602 Y604 I632	V425-L530 HydrophobicContact CB-CD2 4.16Å; V425-L530 HydrophobicContact CG1-CD2 4.47Å; T526-L530 PolarHBondContact O-N 2.76Å; T526-L530 VanDerWaalsContact O-N 3.1Å; V527-L530 WeakPolarHBondContact O-CB 3.44Å; V527-L530 PolarHBondContact O-N 3.28Å; Y528-L530 VanDerWaalsContact C-N 3.32Å; Y528-L530 PolarHBondContact O-N 2.86Å; L530-Q532 PolarHBondContact O-N 2.77Å; L530-R533 PolarHBondContact O-N 2.88Å; L530-L534 HydrophobicContact CD1-CD1 3.78Å; L530-L534 HydrophobicContact CD1-CD2 4.36Å; L530-L534 HydrophobicContact CD1-CG 3.9Å; L530-L534 HydrophobicContact CD2-CD1 4.32Å; L530-L534 HydrophobicContact CG-CD1 3.69Å; L530-L534 HydrophobicContact CG-CG 4.23Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.46Å; L530-L534 PolarHBondContact O-N 2.85Å; L530-L602 HydrophobicContact CD1-CD1 4.14Å; L530-L602 HydrophobicContact CD1-CD2 4.11Å; L530-Y604 HydrophobicContact CB-CD2 3.82Å; L530-Y604 HydrophobicContact CB-CE2 3.82Å; L530-Y604 HydrophobicContact CB-CG 4.23Å; L530-Y604 HydrophobicContact CD1-CD1 4.25Å; L530-Y604 HydrophobicContact CD1-CD2 4.18Å; L530-Y604 HydrophobicContact CD1-CG 3.81Å; L530-Y604 HydrophobicContact CD2-CD1 3.82Å; L530-Y604 HydrophobicContact CD2-CD2 4.46Å; L530-Y604 HydrophobicContact CD2-CE1 3.84Å; L530-Y604 HydrophobicContact CD2-CE2 4.46Å; L530-Y604 HydrophobicContact CD2-CG 4.13Å; L530-Y604 HydrophobicContact CG-CD1 4.45Å; L530-Y604 HydrophobicContact CG-CD2 4.36Å; L530-Y604 HydrophobicContact CG-CG 4.27Å; L530-I632 HydrophobicContact CD1-CD1 3.95Å; L530-I632 HydrophobicContact CD2-CD1 3.68Å; L530-I632 HydrophobicContact CG-CD1 4.46Å
531	V	92.7	Very high	87.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-43.6	-178.5	167.5	0	0	0	0	111.5	L428 I440 E445 V527 Y528 R533 L534 I535	L428-V531 HydrophobicContact CD2-CG2 3.54Å; L428-V531 HydrophobicContact CG-CG2 4.1Å; I440-V531 HydrophobicContact CD1-CG1 3.76Å; E445-V531 HydrophobicContact CB-CB 4.45Å; E445-V531 HydrophobicContact CB-CG1 4.09Å; E445-V531 HydrophobicContact CB-CG2 4.45Å; V527-V531 HydrophobicContact CG1-CG2 4.44Å; V527-V531 WeakPolarHBondContact O-CG2 3.14Å; V527-V531 PolarHBondContact O-N 3.49Å; Y528-V531 PolarHBondContact O-N 3.37Å; Y528-V531 VanDerWaalsContact O-N 3.11Å; V531-R533 VanDerWaalsContact C-N 3.35Å; V531-R533 PolarHBondContact O-N 2.89Å; V531-L534 PolarHBondContact O-N 2.82Å; V531-I535 HydrophobicContact CG1-CD1 3.47Å; V531-I535 VanDerWaalsContact CG1-CD1 3.47Å; V531-I535 HydrophobicContact CG1-CG1 4.27Å; V531-I535 WeakPolarHBondContact O-CD1 3.45Å; V531-I535 VanDerWaalsContact O-CG1 3.29Å; V531-I535 WeakPolarHBondContact O-CG1 3.33Å; V531-I535 PolarHBondContact O-N 2.86Å
532	Q	91.1	Very high	88.1	Confident	49 Å²	49	42.2 Å²	42.2	23%	0.229	21%	0.211	C	C	.	.	H	α-helix	trans	-54.1	-49.6	174.1	-66.2	-48.4	-72.2	0	0	112.2	V144 Y528 L530 L534 I535 N536	V144-Q532 PolarHBondContact O-NE2 3.28Å; V144-Q532 PolarHBondContact O-OE1 3.2Å; Y528-Q532 HydrophobicContact CD1-CG 4.19Å; Y528-Q532 HydrophobicContact CE1-CG 3.84Å; Y528-Q532 WeakPolarHBondContact O-CG 3.39Å; Y528-Q532 PolarHBondContact O-N 3.25Å; L530-Q532 PolarHBondContact O-N 2.77Å; Q532-L534 PolarHBondContact O-N 3.07Å; Q532-I535 PolarHBondContact O-N 3.47Å; Q532-N536 PolarHBondContact O-N 3.22Å
533	R	91.8	Very high	89.5	Confident	46 Å²	46	32.5 Å²	32.5	17%	0.174	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-37.3	-179.4	-69.3	-178	-68.1	177.7	-1.6	112.1	E524 D529 L530 V531 N536 L537 L602	E524-R533 PolarHBondContact O-NH2 3.35Å; E524-R533 IonicContact OE2-NH1 2.91Å; E524-R533 PolarHBondContact OE2-NH1 3.21Å; D529-R533 WeakPolarHBondContact O-CG 3.48Å; D529-R533 PolarHBondContact O-N 3.4Å; D529-R533 PolarHBondContact O-NE 2.93Å; L530-R533 PolarHBondContact O-N 2.88Å; V531-R533 VanDerWaalsContact C-N 3.35Å; V531-R533 PolarHBondContact O-N 2.89Å; R533-N536 PolarHBondContact O-N 3.25Å; R533-L537 WeakPolarHBondContact O-CG 3.41Å; R533-L537 PolarHBondContact O-N 3.25Å; R533-L602 HydrophobicContact CB-CD1 3.73Å
534	L	94.6	Very high	90.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-42.3	175.7	-69.3	171.4	0	0	0	112.1	A429 L432 L433 L530 V531 Q532 N536 L537 R538 L602	A429-L534 HydrophobicContact CB-CD1 4.02Å; A429-L534 HydrophobicContact CB-CD2 4.34Å; L432-L534 HydrophobicContact CB-CB 4.15Å; L432-L534 HydrophobicContact CD1-CB 3.8Å; L432-L534 HydrophobicContact CD1-CD1 3.82Å; L432-L534 HydrophobicContact CD1-CG 4.49Å; L433-L534 HydrophobicContact CD1-CD2 3.6Å; L433-L534 HydrophobicContact CD2-CD2 3.86Å; L433-L534 HydrophobicContact CG-CD2 3.7Å; L530-L534 HydrophobicContact CD1-CD1 3.78Å; L530-L534 HydrophobicContact CD1-CD2 4.36Å; L530-L534 HydrophobicContact CD1-CG 3.9Å; L530-L534 HydrophobicContact CD2-CD1 4.32Å; L530-L534 HydrophobicContact CG-CD1 3.69Å; L530-L534 HydrophobicContact CG-CG 4.23Å; L530-L534 VanDerWaalsContact O-CG 3.23Å; L530-L534 WeakPolarHBondContact O-CG 3.46Å; L530-L534 PolarHBondContact O-N 2.85Å; V531-L534 PolarHBondContact O-N 2.82Å; Q532-L534 PolarHBondContact O-N 3.07Å; L534-N536 VanDerWaalsContact C-N 3.34Å; L534-L537 WeakPolarHBondContact O-CB 3.44Å; L534-L537 PolarHBondContact O-N 2.91Å; L534-R538 WeakPolarHBondContact O-CB 3.32Å; L534-R538 PolarHBondContact O-N 2.89Å; L534-L602 HydrophobicContact CD2-CD1 3.82Å; L534-L602 HydrophobicContact CG-CD1 4.1Å
535	I	93.4	Very high	91.3	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-43.1	175.3	-68.9	155	0	0	0	110.3	I145 L432 I440 V531 Q532 L537 R538 Q539	I145-I535 WeakPolarHBondContact O-CD1 3.46Å; L432-I535 HydrophobicContact CD2-CG1 4.21Å; I440-I535 HydrophobicContact CD1-CD1 4.15Å; I440-I535 HydrophobicContact CD1-CG1 4.46Å; V531-I535 HydrophobicContact CG1-CD1 3.47Å; V531-I535 VanDerWaalsContact CG1-CD1 3.47Å; V531-I535 HydrophobicContact CG1-CG1 4.27Å; V531-I535 WeakPolarHBondContact O-CD1 3.45Å; V531-I535 VanDerWaalsContact O-CG1 3.29Å; V531-I535 WeakPolarHBondContact O-CG1 3.33Å; V531-I535 PolarHBondContact O-N 2.86Å; Q532-I535 PolarHBondContact O-N 3.47Å; I535-L537 PolarHBondContact O-N 3.08Å; I535-R538 WeakPolarHBondContact O-CA 3.26Å; I535-R538 WeakPolarHBondContact O-CB 3.31Å; I535-R538 PolarHBondContact O-N 3.42Å; I535-R538 VanDerWaalsContact O-N 3.11Å; I535-Q539 PolarHBondContact O-N 2.76Å; I535-Q539 VanDerWaalsContact O-N 3.16Å
536	N	92.4	Very high	91.8	Very high	115 Å²	115	26.6 Å²	26.6	62%	0.615	14%	0.141	S	C	*	.	H	α-helix	trans	-61.3	-43.6	175.7	-173.3	30.4	0	0	0	111.8	Q532 R533 L534 R538 Q539	Q532-N536 PolarHBondContact O-N 3.22Å; R533-N536 PolarHBondContact O-N 3.25Å; L534-N536 VanDerWaalsContact C-N 3.34Å; N536-R538 VanDerWaalsContact C-N 3.3Å; N536-R538 PolarHBondContact O-N 2.87Å; N536-Q539 WeakPolarHBondContact O-CB 3.42Å; N536-Q539 PolarHBondContact O-N 2.95Å
537	L	94.5	Very high	92	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-42.3	171.9	-75.3	169.4	0	0	0	111.6	L433 R533 L534 I535 Q539 N540 F543 F575 R601 L602 V634	L433-L537 HydrophobicContact CD2-CB 4.41Å; L433-L537 HydrophobicContact CD2-CD1 4.28Å; R533-L537 WeakPolarHBondContact O-CG 3.41Å; R533-L537 PolarHBondContact O-N 3.25Å; L534-L537 WeakPolarHBondContact O-CB 3.44Å; L534-L537 PolarHBondContact O-N 2.91Å; I535-L537 PolarHBondContact O-N 3.08Å; L537-Q539 PolarHBondContact O-N 2.93Å; L537-Q539 VanDerWaalsContact O-N 3.17Å; L537-N540 VanDerWaalsContact O-CB 3.3Å; L537-N540 WeakPolarHBondContact O-CB 3.27Å; L537-N540 PolarHBondContact O-N 3.33Å; L537-F543 HydrophobicContact CB-CE2 4.24Å; L537-F543 HydrophobicContact CD2-CE2 4.4Å; L537-F543 WeakPolarHBondContact O-CD2 3.45Å; L537-F575 HydrophobicContact CD2-CE1 4.34Å; L537-R601 HydrophobicContact CD2-CB 3.98Å; L537-L602 HydrophobicContact CD1-CB 3.96Å; L537-L602 HydrophobicContact CD1-CD1 3.79Å; L537-V634 HydrophobicContact CD1-CB 4.13Å; L537-V634 HydrophobicContact CD1-CG1 4.08Å; L537-V634 HydrophobicContact CD1-CG2 4.06Å; L537-V634 HydrophobicContact CD2-CG1 4.49Å
538	R	93.5	Very high	92	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-24.6	179.6	-176.8	53.8	175.9	-144.4	13.4	113.2	V111 L432 L434 G436 P438 L534 I535 N536 N540 F543 K544	V111-R538 HydrophobicContact CG2-CG 4.16Å; L432-R538 WeakPolarHBondContact O-CD 3.38Å; L432-R538 PolarHBondContact O-NH1 2.91Å; L434-R538 PolarHBondContact O-NH1 2.64Å; G436-R538 PolarHBondContact O-NH2 3.35Å; P438-R538 HydrophobicContact CG-CG 4.46Å; L534-R538 WeakPolarHBondContact O-CB 3.32Å; L534-R538 PolarHBondContact O-N 2.89Å; I535-R538 WeakPolarHBondContact O-CA 3.26Å; I535-R538 WeakPolarHBondContact O-CB 3.31Å; I535-R538 PolarHBondContact O-N 3.42Å; I535-R538 VanDerWaalsContact O-N 3.11Å; N536-R538 VanDerWaalsContact C-N 3.3Å; N536-R538 PolarHBondContact O-N 2.87Å; R538-N540 PolarHBondContact O-N 2.89Å; R538-F543 PolarHBondContact NH1-O 3.24Å; R538-K544 VanDerWaalsContact O-CG 3.24Å; R538-K544 WeakPolarHBondContact O-CG 3.29Å
539	Q	90.9	Very high	92	Very high	74 Å²	74	33.9 Å²	33.9	35%	0.346	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.8	174.8	-62.5	-55	-29	0	0	113.3	I535 N536 L537 K544	I535-Q539 PolarHBondContact O-N 2.76Å; I535-Q539 VanDerWaalsContact O-N 3.16Å; N536-Q539 WeakPolarHBondContact O-CB 3.42Å; N536-Q539 PolarHBondContact O-N 2.95Å; L537-Q539 PolarHBondContact O-N 2.93Å; L537-Q539 VanDerWaalsContact O-N 3.17Å; Q539-K544 WeakPolarHBondContact O-CE 3.41Å; Q539-K544 VanDerWaalsContact OE1-CE 3.29Å
540	N	93.2	Very high	91.9	Very high	40 Å²	40	33.6 Å²	33.6	21%	0.214	18%	0.177	C	C	.	.	S	Bend	trans	-68.9	134	176.7	-177.3	-57.7	0	0	0	111.1	L537 R538 T542 F543 K544	L537-N540 VanDerWaalsContact O-CB 3.3Å; L537-N540 WeakPolarHBondContact O-CB 3.27Å; L537-N540 PolarHBondContact O-N 3.33Å; R538-N540 PolarHBondContact O-N 2.89Å; N540-T542 PolarHBondContact O-N 2.86Å; N540-T542 VanDerWaalsContact O-N 3.08Å; N540-T542 WeakPolarHBondContact OD1-CB 3.42Å; N540-T542 PolarHBondContact OD1-N 2.82Å; N540-T542 PolarHBondContact OD1-OG1 3.12Å; N540-F543 HydrophobicContact CB-CD2 4.11Å; N540-F543 PolarHBondContact O-N 2.88Å; N540-K544 PolarHBondContact O-N 2.95Å
541	P	92.8	Very high	91.4	Very high	45 Å²	45	34.1 Å²	34.1	29%	0.292	18%	0.18	S	C	.	.	H	α-helix	trans	-55.4	-27.9	-178	-32	41	0	0	0	115.5	F543 K544 S545 F572	P541-F543 VanDerWaalsContact C-N 3.28Å; P541-F543 PolarHBondContact O-N 3.1Å; P541-K544 PolarHBondContact O-N 2.86Å; P541-S545 PolarHBondContact O-N 3.45Å; P541-S545 PolarHBondContact O-OG 3.07Å; P541-S545 VanDerWaalsContact O-OG 3.11Å; P541-F572 HydrophobicContact CB-CD1 3.81Å; P541-F572 HydrophobicContact CB-CD2 3.75Å; P541-F572 HydrophobicContact CB-CE1 3.66Å; P541-F572 HydrophobicContact CB-CE2 3.58Å; P541-F572 HydrophobicContact CB-CG 3.86Å; P541-F572 HydrophobicContact CB-CZ 3.53Å; P541-F572 HydrophobicContact CG-CD1 3.83Å; P541-F572 HydrophobicContact CG-CE1 3.41Å; P541-F572 VanDerWaalsContact CG-CE1 3.41Å; P541-F572 HydrophobicContact CG-CE2 4.2Å; P541-F572 HydrophobicContact CG-CG 4.4Å; P541-F572 HydrophobicContact CG-CZ 3.61Å
542	T	94.8	Very high	90.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-39	172.6	-63.2	0	0	0	0	111.9	N540 G546 R567 F572 P573 F575	N540-T542 PolarHBondContact O-N 2.86Å; N540-T542 VanDerWaalsContact O-N 3.08Å; N540-T542 WeakPolarHBondContact OD1-CB 3.42Å; N540-T542 PolarHBondContact OD1-N 2.82Å; N540-T542 PolarHBondContact OD1-OG1 3.12Å; T542-G546 WeakPolarHBondContact O-CA 3.3Å; T542-G546 PolarHBondContact O-N 2.99Å; T542-R567 HydrophobicContact CG2-CB 3.64Å; T542-R567 WeakPolarHBondContact CG2-O 3.33Å; T542-R567 PolarHBondContact O-NH2 2.55Å; T542-F572 VanDerWaalsContact OG1-CB 3.24Å; T542-F572 WeakPolarHBondContact OG1-CB 3.4Å; T542-P573 PolarHBondContact OG1-O 3.16Å; T542-F575 HydrophobicContact CG2-CD2 3.72Å; T542-F575 HydrophobicContact CG2-CE2 4.32Å
543	F	94.1	Very high	88.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-81.6	-34.4	177.6	-66.8	-80.1	0	0	0	112.7	L433 L537 R538 N540 P541 R567 F575 I577 V634	L433-F543 HydrophobicContact CB-CE1 4.33Å; L433-F543 HydrophobicContact CD2-CD1 4.01Å; L433-F543 HydrophobicContact CD2-CE1 3.57Å; L433-F543 HydrophobicContact CD2-CZ 4.08Å; L537-F543 HydrophobicContact CB-CE2 4.24Å; L537-F543 HydrophobicContact CD2-CE2 4.4Å; L537-F543 WeakPolarHBondContact O-CD2 3.45Å; R538-F543 PolarHBondContact NH1-O 3.24Å; N540-F543 HydrophobicContact CB-CD2 4.11Å; N540-F543 PolarHBondContact O-N 2.88Å; P541-F543 VanDerWaalsContact C-N 3.28Å; P541-F543 PolarHBondContact O-N 3.1Å; F543-R567 HydrophobicContact CD1-CG 4.32Å; F543-R567 HydrophobicContact CE1-CG 4.18Å; F543-R567 PolarHBondContact O-NH1 3.28Å; F543-R567 PolarHBondContact O-NH2 3.35Å; F543-F575 HydrophobicContact CE2-CB 4.34Å; F543-F575 AromaticContact CE2-CD1 3.72Å; F543-F575 HydrophobicContact CE2-CD1 3.72Å; F543-F575 AromaticContact CE2-CD2 3.8Å; F543-F575 HydrophobicContact CE2-CD2 3.8Å; F543-F575 AromaticContact CE2-CE1 3.86Å; F543-F575 HydrophobicContact CE2-CE1 3.86Å; F543-F575 AromaticContact CE2-CE2 3.95Å; F543-F575 HydrophobicContact CE2-CE2 3.95Å; F543-F575 AromaticContact CE2-CG 3.68Å; F543-F575 HydrophobicContact CE2-CG 3.68Å; F543-F575 AromaticContact CE2-CZ 3.98Å; F543-F575 HydrophobicContact CE2-CZ 3.98Å; F543-F575 HydrophobicContact CZ-CB 3.79Å; F543-F575 AromaticContact CZ-CD1 3.72Å; F543-F575 HydrophobicContact CZ-CD1 3.72Å; F543-F575 HydrophobicContact CZ-CD2 4.12Å; F543-F575 HydrophobicContact CZ-CE1 4.31Å; F543-F575 AromaticContact CZ-CG 3.6Å; F543-F575 HydrophobicContact CZ-CG 3.6Å; F543-I577 HydrophobicContact CE1-CD1 3.98Å; F543-I577 HydrophobicContact CE1-CG1 4.35Å; F543-V634 HydrophobicContact CZ-CG1 4.09Å
544	K	91.1	Very high	87	Confident	36 Å²	36	38.9 Å²	38.9	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-42.7	178.4	-62.9	-163	-179.1	-157.6	0	113.4	S109 R538 Q539 N540 P541	S109-K544 WeakPolarHBondContact O-CD 3.22Å; S109-K544 VanDerWaalsContact O-CE 3.3Å; S109-K544 WeakPolarHBondContact O-CE 3.37Å; S109-K544 PolarHBondContact O-NZ 3.19Å; R538-K544 VanDerWaalsContact O-CG 3.24Å; R538-K544 WeakPolarHBondContact O-CG 3.29Å; Q539-K544 WeakPolarHBondContact O-CE 3.41Å; Q539-K544 VanDerWaalsContact OE1-CE 3.29Å; N540-K544 PolarHBondContact O-N 2.95Å; P541-K544 PolarHBondContact O-N 2.86Å
545	S	87.8	Confident	85	Confident	64 Å²	64	42.9 Å²	42.9	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-135.4	-6.4	-169.6	63.4	0	0	0	0	115.1	P541	P541-S545 PolarHBondContact O-N 3.45Å; P541-S545 PolarHBondContact O-OG 3.07Å; P541-S545 VanDerWaalsContact O-OG 3.11Å
546	G	91	Very high	83.1	Confident	4 Å²	4	46.4 Å²	46.4	4%	0.041	26%	0.258	C	S	.	.			trans	-71.3	155.3	-176.9	0	0	0	0	0	114	T542 R567 R568	T542-G546 WeakPolarHBondContact O-CA 3.3Å; T542-G546 PolarHBondContact O-N 2.99Å; G546-R567 PolarHBondContact O-NH2 2.87Å; G546-R568 CarbonylContact C-O 3.57Å; G546-R568 VanDerWaalsContact C-O 3.31Å; G546-R568 WeakPolarHBondContact CA-O 3.19Å
547	T	91.7	Very high	81.1	Confident	78 Å²	78	47 Å²	47	48%	0.479	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	169.9	174.2	61.1	0	0	0	0	111.2	R567 R568	T547-R567 WeakPolarHBondContact O-CA 3.44Å; T547-R567 WeakPolarHBondContact O-CD 3.49Å; T547-R567 PolarHBondContact O-NE 3.26Å; T547-R568 PolarHBondContact N-O 2.76Å; T547-R568 PolarHBondContact O-N 3.43Å; T547-R568 PolarHBondContact OG1-O 3.1Å
548	M	90.9	Very high	79	Confident	13 Å²	13	55 Å²	55	6%	0.064	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.3	178	175.3	-163.5	175	0	0	109.6	Y399 L434 P435 F565 V566	Y399-M548 HydrophobicContact CE1-CE 4.33Å; Y399-M548 HydrophobicContact CE1-SD 3.82Å; L434-M548 HydrophobicContact CD1-CE 4.23Å; L434-M548 HydrophobicContact CD2-CE 3.54Å; L434-M548 HydrophobicContact CD2-SD 3.78Å; L434-M548 HydrophobicContact CG-CE 4.45Å; P435-M548 HydrophobicContact CG-CB 3.65Å; P435-M548 HydrophobicContact CG-SD 4.4Å; M548-F565 HydrophobicContact CE-CB 4.23Å; M548-F565 HydrophobicContact CE-CD1 3.03Å; M548-F565 HydrophobicContact CE-CE1 3.36Å; M548-F565 HydrophobicContact CE-CG 3.72Å; M548-F565 HydrophobicContact CE-CZ 4.32Å; M548-V566 WeakPolarHBondContact CA-O 3.29Å
549	E	90	Very high	76.9	Confident	90 Å²	90	59.4 Å²	59.4	42%	0.421	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.4	169.3	-177.6	-174	177.2	0	0	108.6	F565 V566 R568	E549-F565 CarbonylContact O-C 3.31Å; E549-F565 VanDerWaalsContact O-CA 3.3Å; E549-F565 WeakPolarHBondContact O-CA 3.3Å; E549-V566 HydrophobicContact CB-CB 4.43Å; E549-V566 PolarHBondContact N-O 3.02Å; E549-V566 PolarHBondContact O-N 2.94Å; E549-R568 IonicContact OE2-CZ 2.89Å; E549-R568 IonicContact OE2-NH1 2.91Å; E549-R568 PolarHBondContact OE2-NH1 2.79Å; E549-R568 IonicContact OE2-NH2 2.7Å
550	E	85.6	Confident	75.2	Confident	19 Å²	19	57.7 Å²	57.7	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.6	169	-178.8	172.9	-139.7	0	0	109.5	N394 H400 S552 F565	N394-E550 PolarHBondContact ND2-OE1 2.74Å; H400-E550 IonicContact CG-OE2 3.15Å; H400-E550 IonicContact ND1-OE2 2.96Å; E550-S552 PolarHBondContact O-N 2.84Å; E550-F565 HydrophobicContact CB-CD1 3.83Å; E550-F565 HydrophobicContact CB-CE1 4.01Å; E550-F565 HydrophobicContact CG-CD1 3.87Å; E550-F565 HydrophobicContact CG-CE1 3.72Å; E550-F565 VanDerWaalsContact OE1-CE1 3.25Å; E550-F565 WeakPolarHBondContact OE1-CE1 3.44Å
551	L	82.5	Confident	74	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.058	30%	0.3	C	S	.	.			trans	-80.8	107.3	-175.8	-60.7	174.7	0	0	0	110.5	S553 F554 V564 V566 Y593 I594	L551-S553 PolarHBondContact O-N 2.95Å; L551-F554 HydrophobicContact CB-CD2 3.74Å; L551-F554 HydrophobicContact CB-CE2 4.1Å; L551-F554 HydrophobicContact CD1-CD2 4.22Å; L551-F554 HydrophobicContact CD1-CE2 3.8Å; L551-F554 PolarHBondContact O-N 2.77Å; L551-V564 HydrophobicContact CB-CB 4.45Å; L551-V564 HydrophobicContact CD1-CB 4.23Å; L551-V564 HydrophobicContact CD1-CG1 3.65Å; L551-V564 HydrophobicContact CG-CG1 4.49Å; L551-V564 PolarHBondContact N-O 3.43Å; L551-V566 HydrophobicContact CD1-CG2 3.76Å; L551-V566 HydrophobicContact CD2-CG2 3.86Å; L551-V566 HydrophobicContact CG-CG2 3.86Å; L551-Y593 WeakPolarHBondContact CD1-OH 3.31Å; L551-Y593 HydrophobicContact CD2-CE2 4.35Å; L551-I594 HydrophobicContact CD1-CD1 3.36Å; L551-I594 HydrophobicContact CD2-CD1 4.24Å; L551-I594 HydrophobicContact CG-CD1 4.43Å
552	S	68.6	Low	73.1	Confident	80 Å²	80	57.8 Å²	57.8	56%	0.559	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67	-22.2	-179.2	58.1	0	0	0	0	114.2	E550 F554 K555	E550-S552 PolarHBondContact O-N 2.84Å; S552-F554 PolarHBondContact O-N 3.33Å; S552-F554 VanDerWaalsContact O-N 3.08Å; S552-K555 VanDerWaalsContact O-CB 3.22Å; S552-K555 WeakPolarHBondContact O-CB 3.45Å; S552-K555 VanDerWaalsContact O-CG 3.32Å; S552-K555 WeakPolarHBondContact O-CG 3.5Å; S552-K555 PolarHBondContact O-N 2.91Å
553	S	57.4	Low	72.4	Confident	84 Å²	84	58 Å²	58	59%	0.587	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-59.4	-17.8	178.7	48.3	0	0	0	0	113.6	L551 Y593	L551-S553 PolarHBondContact O-N 2.95Å; S553-Y593 PolarHBondContact OG-OH 3.14Å
554	F	57	Low	72.2	Confident	30 Å²	30	58.1 Å²	58.1	13%	0.132	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-100.7	12.1	178.5	-62.4	-71.2	0	0	0	113.9	L551 S552 D556 Y562 V564 L589 F591 Y593	L551-F554 HydrophobicContact CB-CD2 3.74Å; L551-F554 HydrophobicContact CB-CE2 4.1Å; L551-F554 HydrophobicContact CD1-CD2 4.22Å; L551-F554 HydrophobicContact CD1-CE2 3.8Å; L551-F554 PolarHBondContact O-N 2.77Å; S552-F554 PolarHBondContact O-N 3.33Å; S552-F554 VanDerWaalsContact O-N 3.08Å; F554-D556 PolarHBondContact O-N 2.87Å; F554-Y562 HydrophobicContact CB-CE2 3.54Å; F554-Y562 AromaticContact CD1-CE2 3.87Å; F554-Y562 HydrophobicContact CD1-CE2 3.87Å; F554-Y562 VanDerWaalsContact CD1-OH 3.23Å; F554-Y562 WeakPolarHBondContact CD1-OH 3.19Å; F554-Y562 AromaticContact CG-CE2 3.85Å; F554-Y562 HydrophobicContact CG-CE2 3.85Å; F554-V564 HydrophobicContact CB-CG2 4.27Å; F554-V564 HydrophobicContact CD2-CB 3.88Å; F554-V564 HydrophobicContact CD2-CG1 4.42Å; F554-V564 HydrophobicContact CD2-CG2 3.71Å; F554-V564 HydrophobicContact CE2-CB 4.26Å; F554-V564 HydrophobicContact CE2-CG1 4.3Å; F554-V564 HydrophobicContact CE2-CG2 4.13Å; F554-V564 HydrophobicContact CG-CG2 3.96Å; F554-L589 HydrophobicContact CD1-CD2 3.99Å; F554-L589 HydrophobicContact CE1-CD2 3.63Å; F554-L589 HydrophobicContact CZ-CD2 4.14Å; F554-F591 HydrophobicContact CE2-CE1 4.1Å; F554-F591 HydrophobicContact CZ-CD1 4.37Å; F554-F591 AromaticContact CZ-CE1 3.93Å; F554-F591 HydrophobicContact CZ-CE1 3.93Å; F554-Y593 WeakPolarHBondContact CE2-OH 3.37Å
555	K	52.4	Low	72.2	Confident	84 Å²	84	56.4 Å²	56.4	37%	0.365	29%	0.288	S	S	.	.			trans	-80.8	42	-178.7	-70.9	178.9	174.7	-176.4	0	113.9	S552 Y557	S552-K555 VanDerWaalsContact O-CB 3.22Å; S552-K555 WeakPolarHBondContact O-CB 3.45Å; S552-K555 VanDerWaalsContact O-CG 3.32Å; S552-K555 WeakPolarHBondContact O-CG 3.5Å; S552-K555 PolarHBondContact O-N 2.91Å; K555-Y557 HydrophobicContact CB-CD2 4.22Å; K555-Y557 HydrophobicContact CB-CE2 3.63Å; K555-Y557 HydrophobicContact CD-CE2 4.17Å; K555-Y557 VanDerWaalsContact CD-OH 3.23Å; K555-Y557 WeakPolarHBondContact CD-OH 3.38Å; K555-Y557 WeakPolarHBondContact CE-OH 3.39Å; K555-Y557 HydrophobicContact CG-CE2 4.06Å; K555-Y557 WeakPolarHBondContact CG-OH 3.11Å; K555-Y557 VanDerWaalsContact O-CD2 3.27Å; K555-Y557 WeakPolarHBondContact O-CD2 3.12Å; K555-Y557 PolarHBondContact O-N 3.27Å
556	D	52.4	Low	72.5	Confident	83 Å²	83	53.4 Å²	53.4	44%	0.444	27%	0.266	S	S	.	.			trans	-81.4	77.2	168.5	-165.8	-1.9	0	0	0	109.6	F554 E558 K559 Y560	F554-D556 PolarHBondContact O-N 2.87Å; D556-E558 PolarHBondContact O-N 3.27Å; D556-E558 VanDerWaalsContact O-N 3.13Å; D556-K559 PolarHBondContact O-N 2.73Å; D556-Y560 HydrophobicContact CB-CD2 4.38Å; D556-Y560 PolarHBondContact O-N 3.05Å
557	Y	50.5	Low	72.7	Confident	129 Å²	129	53.2 Å²	53.2	51%	0.506	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	-173.3	-66.6	-69.8	0	0	0	113.8	K555	K555-Y557 HydrophobicContact CB-CD2 4.22Å; K555-Y557 HydrophobicContact CB-CE2 3.63Å; K555-Y557 HydrophobicContact CD-CE2 4.17Å; K555-Y557 VanDerWaalsContact CD-OH 3.23Å; K555-Y557 WeakPolarHBondContact CD-OH 3.38Å; K555-Y557 WeakPolarHBondContact CE-OH 3.39Å; K555-Y557 HydrophobicContact CG-CE2 4.06Å; K555-Y557 WeakPolarHBondContact CG-OH 3.11Å; K555-Y557 VanDerWaalsContact O-CD2 3.27Å; K555-Y557 WeakPolarHBondContact O-CD2 3.12Å; K555-Y557 PolarHBondContact O-N 3.27Å
558	E	50.8	Low	72.9	Confident	182 Å²	182	53.5 Å²	53.5	85%	0.85	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-22.5	-178.1	-66.2	-162.2	164.3	0	0	112.7	D556	D556-E558 PolarHBondContact O-N 3.27Å; D556-E558 VanDerWaalsContact O-N 3.13Å
559	K	50.3	Low	73	Confident	101 Å²	101	53.4 Å²	53.4	44%	0.439	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-26.6	-165.9	-150.3	172.3	-172.4	179.3	0	115	D556 T584	D556-K559 PolarHBondContact O-N 2.73Å; K559-T584 PolarHBondContact O-OG1 2.91Å
560	Y	53.6	Low	73.1	Confident	39 Å²	39	55.2 Å²	55.2	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	-173.1	-51.6	-79.9	0	0	0	114.2	D556 Y562 T583 S585 F587	D556-Y560 HydrophobicContact CB-CD2 4.38Å; D556-Y560 PolarHBondContact O-N 3.05Å; Y560-Y562 VanDerWaalsContact CB-CD1 3.48Å; Y560-Y562 HydrophobicContact CD1-CE1 4.34Å; Y560-Y562 HydrophobicContact CD2-CE1 4.39Å; Y560-Y562 HydrophobicContact CG-CD1 4.4Å; Y560-Y562 AromaticContact CG-CE1 3.78Å; Y560-Y562 HydrophobicContact CG-CE1 3.78Å; Y560-Y562 PolarHBondContact O-N 3.37Å; Y560-T583 WeakPolarHBondContact CD1-OG1 3.49Å; Y560-S585 WeakPolarHBondContact CE1-OG 3.01Å; Y560-S585 VanDerWaalsContact CZ-OG 3.27Å; Y560-S585 PolarHBondContact OH-OG 2.74Å; Y560-F587 AromaticContact CD1-CD1 3.79Å; Y560-F587 HydrophobicContact CD1-CD1 3.79Å; Y560-F587 HydrophobicContact CD1-CE1 4.03Å; Y560-F587 HydrophobicContact CD1-CG 4.31Å; Y560-F587 HydrophobicContact CE1-CB 4.02Å; Y560-F587 AromaticContact CE1-CD1 3.59Å; Y560-F587 HydrophobicContact CE1-CD1 3.59Å; Y560-F587 HydrophobicContact CE1-CE1 4.29Å; Y560-F587 AromaticContact CE1-CG 3.97Å; Y560-F587 HydrophobicContact CE1-CG 3.97Å
561	Y	69.2	Low	73.4	Confident	57 Å²	57	58.5 Å²	58.5	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	62.7	-175.1	-56.8	-88.8	0	0	0	111.1	T391 R581 Y582	T391-Y561 WeakPolarHBondContact O-CD1 3.27Å; T391-Y561 WeakPolarHBondContact O-CE1 3.36Å; Y561-R581 PolarHBondContact O-N 3.24Å; Y561-Y582 HydrophobicContact CD1-CE1 4.36Å; Y561-Y582 HydrophobicContact CD2-CD1 4.05Å; Y561-Y582 AromaticContact CD2-CD2 3.82Å; Y561-Y582 HydrophobicContact CD2-CD2 3.82Å; Y561-Y582 AromaticContact CD2-CE1 3.57Å; Y561-Y582 HydrophobicContact CD2-CE1 3.57Å; Y561-Y582 AromaticContact CD2-CE2 3.32Å; Y561-Y582 HydrophobicContact CD2-CE2 3.32Å; Y561-Y582 HydrophobicContact CD2-CG 4.17Å; Y561-Y582 AromaticContact CD2-CZ 3.19Å; Y561-Y582 HydrophobicContact CE2-CD2 4.14Å; Y561-Y582 AromaticContact CE2-CE1 3.93Å; Y561-Y582 HydrophobicContact CE2-CE1 3.93Å; Y561-Y582 AromaticContact CE2-CE2 3.21Å; Y561-Y582 HydrophobicContact CE2-CE2 3.21Å; Y561-Y582 AromaticContact CE2-CZ 3.09Å; Y561-Y582 WeakPolarHBondContact CE2-OH 3.45Å; Y561-Y582 HydrophobicContact CG-CD1 4.31Å; Y561-Y582 AromaticContact CG-CE1 3.81Å; Y561-Y582 HydrophobicContact CG-CE1 3.81Å; Y561-Y582 HydrophobicContact CG-CE2 4.37Å; Y561-Y582 AromaticContact CG-CZ 3.86Å; Y561-Y582 AromaticContact CZ-CZ 3.65Å; Y561-Y582 PolarHBondContact OH-OH 3.47Å
562	Y	72.6	Confident	74	Confident	29 Å²	29	62 Å²	62	11%	0.114	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.5	176.8	66.9	-92.3	0	0	0	113.5	F554 Y560 V564 V578 L579 F587 L589	F554-Y562 HydrophobicContact CB-CE2 3.54Å; F554-Y562 AromaticContact CD1-CE2 3.87Å; F554-Y562 HydrophobicContact CD1-CE2 3.87Å; F554-Y562 VanDerWaalsContact CD1-OH 3.23Å; F554-Y562 WeakPolarHBondContact CD1-OH 3.19Å; F554-Y562 AromaticContact CG-CE2 3.85Å; F554-Y562 HydrophobicContact CG-CE2 3.85Å; Y560-Y562 VanDerWaalsContact CB-CD1 3.48Å; Y560-Y562 HydrophobicContact CD1-CE1 4.34Å; Y560-Y562 HydrophobicContact CD2-CE1 4.39Å; Y560-Y562 HydrophobicContact CG-CD1 4.4Å; Y560-Y562 AromaticContact CG-CE1 3.78Å; Y560-Y562 HydrophobicContact CG-CE1 3.78Å; Y560-Y562 PolarHBondContact O-N 3.37Å; Y562-V564 HydrophobicContact CD2-CG2 3.58Å; Y562-V564 HydrophobicContact CE2-CG2 3.58Å; Y562-V578 HydrophobicContact CD2-CG1 4.47Å; Y562-L579 CarbonylContact C-O 3.53Å; Y562-L579 WeakPolarHBondContact CA-O 3.37Å; Y562-L579 WeakPolarHBondContact CB-O 3.4Å; Y562-F587 HydrophobicContact CD1-CE2 4.18Å; Y562-F587 AromaticContact CD1-CZ 3.9Å; Y562-F587 HydrophobicContact CD1-CZ 3.9Å; Y562-F587 HydrophobicContact CE1-CD2 4.26Å; Y562-F587 HydrophobicContact CE1-CE1 4.45Å; Y562-F587 AromaticContact CE1-CE2 3.55Å; Y562-F587 HydrophobicContact CE1-CE2 3.55Å; Y562-F587 AromaticContact CE1-CZ 3.68Å; Y562-F587 HydrophobicContact CE1-CZ 3.68Å; Y562-F587 HydrophobicContact CE2-CE2 4.44Å; Y562-F587 AromaticContact CZ-CE2 3.75Å; Y562-L589 HydrophobicContact CE2-CD2 3.84Å
563	G	82	Confident	75.3	Confident	6 Å²	6	60.4 Å²	60.4	6%	0.062	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	168.3	0	0	0	0	0	109.9	V578 L579	G563-V578 WeakPolarHBondContact O-CA 3.1Å; G563-L579 PolarHBondContact N-O 2.94Å; G563-L579 PolarHBondContact O-N 3.05Å
564	V	88.2	Confident	77.1	Confident	1 Å²	1	58 Å²	58	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.1	174.4	-170.2	0	0	0	0	109.7	L551 F554 Y562 V576 I577 V578 L589 F591	L551-V564 HydrophobicContact CB-CB 4.45Å; L551-V564 HydrophobicContact CD1-CB 4.23Å; L551-V564 HydrophobicContact CD1-CG1 3.65Å; L551-V564 HydrophobicContact CG-CG1 4.49Å; L551-V564 PolarHBondContact N-O 3.43Å; F554-V564 HydrophobicContact CB-CG2 4.27Å; F554-V564 HydrophobicContact CD2-CB 3.88Å; F554-V564 HydrophobicContact CD2-CG1 4.42Å; F554-V564 HydrophobicContact CD2-CG2 3.71Å; F554-V564 HydrophobicContact CE2-CB 4.26Å; F554-V564 HydrophobicContact CE2-CG1 4.3Å; F554-V564 HydrophobicContact CE2-CG2 4.13Å; F554-V564 HydrophobicContact CG-CG2 3.96Å; Y562-V564 HydrophobicContact CD2-CG2 3.58Å; Y562-V564 HydrophobicContact CE2-CG2 3.58Å; V564-V576 HydrophobicContact CG1-CG1 3.74Å; V564-I577 CarbonylContact C-O 3.5Å; V564-I577 VanDerWaalsContact CA-O 3.3Å; V564-I577 WeakPolarHBondContact CA-O 3.15Å; V564-V578 HydrophobicContact CG1-CG2 4.32Å; V564-V578 HydrophobicContact CG2-CG1 4.41Å; V564-V578 HydrophobicContact CG2-CG2 4.42Å; V564-L589 HydrophobicContact CG2-CD2 4.37Å; V564-F591 HydrophobicContact CG1-CE1 3.8Å; V564-F591 HydrophobicContact CG1-CZ 4.33Å
565	F	91.2	Very high	79	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.6	-175.2	-47.6	-75.3	0	0	0	110.7	T396 L434 M548 E549 E550 V576 I577 L579	T396-F565 HydrophobicContact CG2-CE1 4.17Å; T396-F565 HydrophobicContact CG2-CE2 4.33Å; T396-F565 HydrophobicContact CG2-CZ 3.62Å; T396-F565 VanDerWaalsContact OG1-CE1 3.3Å; T396-F565 WeakPolarHBondContact OG1-CE1 3.33Å; T396-F565 VanDerWaalsContact OG1-CZ 3.27Å; T396-F565 WeakPolarHBondContact OG1-CZ 3.21Å; L434-F565 HydrophobicContact CD2-CD2 4.38Å; L434-F565 HydrophobicContact CD2-CG 4.3Å; M548-F565 HydrophobicContact CE-CB 4.23Å; M548-F565 HydrophobicContact CE-CD1 3.03Å; M548-F565 HydrophobicContact CE-CE1 3.36Å; M548-F565 HydrophobicContact CE-CG 3.72Å; M548-F565 HydrophobicContact CE-CZ 4.32Å; E549-F565 CarbonylContact O-C 3.31Å; E549-F565 VanDerWaalsContact O-CA 3.3Å; E549-F565 WeakPolarHBondContact O-CA 3.3Å; E550-F565 HydrophobicContact CB-CD1 3.83Å; E550-F565 HydrophobicContact CB-CE1 4.01Å; E550-F565 HydrophobicContact CG-CD1 3.87Å; E550-F565 HydrophobicContact CG-CE1 3.72Å; E550-F565 VanDerWaalsContact OE1-CE1 3.25Å; E550-F565 WeakPolarHBondContact OE1-CE1 3.44Å; F565-V576 CarbonylContact O-C 3.53Å; F565-V576 WeakPolarHBondContact O-CA 3.41Å; F565-I577 HydrophobicContact CB-CB 4.32Å; F565-I577 HydrophobicContact CB-CD1 4.37Å; F565-I577 HydrophobicContact CD2-CB 4.47Å; F565-I577 HydrophobicContact CD2-CG2 4.46Å; F565-I577 PolarHBondContact N-O 2.77Å; F565-I577 PolarHBondContact O-N 3.15Å; F565-L579 HydrophobicContact CD2-CD1 4.49Å; F565-L579 HydrophobicContact CE2-CB 4.44Å; F565-L579 HydrophobicContact CE2-CD1 3.96Å; F565-L579 HydrophobicContact CE2-CG 4.17Å
566	V	94.5	Very high	81.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.4	172.7	-169.7	0	0	0	0	108.9	M548 E549 L551 R568 T574 F575 V576 I594	M548-V566 WeakPolarHBondContact CA-O 3.29Å; E549-V566 HydrophobicContact CB-CB 4.43Å; E549-V566 PolarHBondContact N-O 3.02Å; E549-V566 PolarHBondContact O-N 2.94Å; L551-V566 HydrophobicContact CD1-CG2 3.76Å; L551-V566 HydrophobicContact CD2-CG2 3.86Å; L551-V566 HydrophobicContact CG-CG2 3.86Å; V566-R568 HydrophobicContact CG1-CG 4.09Å; V566-R568 VanDerWaalsContact CG1-CZ 3.48Å; V566-T574 HydrophobicContact CG1-CG2 3.44Å; V566-T574 VanDerWaalsContact CG1-CG2 3.44Å; V566-F575 CarbonylContact C-O 3.5Å; V566-F575 VanDerWaalsContact CA-O 3.3Å; V566-F575 WeakPolarHBondContact CA-O 3.38Å; V566-V576 HydrophobicContact CG2-CG2 4.47Å; V566-I594 HydrophobicContact CG1-CG2 4.11Å; V566-I594 HydrophobicContact CG2-CD1 3.89Å; V566-I594 HydrophobicContact CG2-CG2 4.28Å
567	R	95.5	Very high	83.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.7	172.3	-63.1	-64.6	-56.5	-81.6	1.8	109.9	L433 T542 F543 G546 T547 T574 F575 I577	L433-R567 PolarHBondContact O-NH1 2.93Å; T542-R567 HydrophobicContact CG2-CB 3.64Å; T542-R567 WeakPolarHBondContact CG2-O 3.33Å; T542-R567 PolarHBondContact O-NH2 2.55Å; F543-R567 HydrophobicContact CD1-CG 4.32Å; F543-R567 HydrophobicContact CE1-CG 4.18Å; F543-R567 PolarHBondContact O-NH1 3.28Å; F543-R567 PolarHBondContact O-NH2 3.35Å; G546-R567 PolarHBondContact O-NH2 2.87Å; T547-R567 WeakPolarHBondContact O-CA 3.44Å; T547-R567 WeakPolarHBondContact O-CD 3.49Å; T547-R567 PolarHBondContact O-NE 3.26Å; R567-T574 WeakPolarHBondContact O-CA 3.32Å; R567-F575 HydrophobicContact CB-CB 4.4Å; R567-F575 PolarHBondContact N-O 2.79Å; R567-F575 PolarHBondContact O-N 2.93Å; R567-I577 HydrophobicContact CG-CD1 3.56Å
568	R	95.2	Very high	85	Confident	85 Å²	85	42.6 Å²	42.6	32%	0.321	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.6	179.3	-61.7	-170.3	179.9	94.1	-8	111.2	G546 T547 E549 V566 T574	G546-R568 CarbonylContact C-O 3.57Å; G546-R568 VanDerWaalsContact C-O 3.31Å; G546-R568 WeakPolarHBondContact CA-O 3.19Å; T547-R568 PolarHBondContact N-O 2.76Å; T547-R568 PolarHBondContact O-N 3.43Å; T547-R568 PolarHBondContact OG1-O 3.1Å; E549-R568 IonicContact OE2-CZ 2.89Å; E549-R568 IonicContact OE2-NH1 2.91Å; E549-R568 PolarHBondContact OE2-NH1 2.79Å; E549-R568 IonicContact OE2-NH2 2.7Å; V566-R568 HydrophobicContact CG1-CG 4.09Å; V566-R568 VanDerWaalsContact CG1-CZ 3.48Å; R568-T574 HydrophobicContact CG-CG2 3.87Å
569	A	93.4	Very high	86.9	Confident	10 Å²	10	34.2 Å²	34.2	8%	0.083	19%	0.194	C	C	.	.			trans	-136.6	141.8	165.1	0	0	0	0	0	109.7	G571 F572	A569-G571 PolarHBondContact O-N 3.48Å; A569-F572 HydrophobicContact CB-CB 4.22Å; A569-F572 HydrophobicContact CB-CD2 3.97Å; A569-F572 PolarHBondContact O-N 3.2Å; A569-F572 VanDerWaalsContact O-N 3.12Å
570	P	92.2	Very high	88.5	Confident	129 Å²	129	29.5 Å²	29.5	84%	0.838	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	128.8	178.4	-24.9	34.3	0	0	0	112	F572	P570-F572 VanDerWaalsContact C-N 3.26Å; P570-F572 WeakPolarHBondContact O-CD2 3.38Å; P570-F572 PolarHBondContact O-N 3.05Å
571	G	92.9	Very high	89.7	Confident	88 Å²	88	31.8 Å²	31.8	91%	0.907	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	3.2	179.3	0	0	0	0	0	115.5	A569	A569-G571 PolarHBondContact O-N 3.48Å
572	F	95	Very high	90	Very high	84 Å²	84	31.8 Å²	31.8	37%	0.368	18%	0.182	S	C	.	.	S	Bend	trans	-122.3	157.7	178.7	-62.4	-76.8	0	0	0	111.6	P541 T542 A569 P570	P541-F572 HydrophobicContact CB-CD1 3.81Å; P541-F572 HydrophobicContact CB-CD2 3.75Å; P541-F572 HydrophobicContact CB-CE1 3.66Å; P541-F572 HydrophobicContact CB-CE2 3.58Å; P541-F572 HydrophobicContact CB-CG 3.86Å; P541-F572 HydrophobicContact CB-CZ 3.53Å; P541-F572 HydrophobicContact CG-CD1 3.83Å; P541-F572 HydrophobicContact CG-CE1 3.41Å; P541-F572 VanDerWaalsContact CG-CE1 3.41Å; P541-F572 HydrophobicContact CG-CE2 4.2Å; P541-F572 HydrophobicContact CG-CG 4.4Å; P541-F572 HydrophobicContact CG-CZ 3.61Å; T542-F572 VanDerWaalsContact OG1-CB 3.24Å; T542-F572 WeakPolarHBondContact OG1-CB 3.4Å; A569-F572 HydrophobicContact CB-CB 4.22Å; A569-F572 HydrophobicContact CB-CD2 3.97Å; A569-F572 PolarHBondContact O-N 3.2Å; A569-F572 VanDerWaalsContact O-N 3.12Å; P570-F572 VanDerWaalsContact C-N 3.26Å; P570-F572 WeakPolarHBondContact O-CD2 3.38Å; P570-F572 PolarHBondContact O-N 3.05Å
573	P	94.5	Very high	89.8	Confident	46 Å²	46	30.7 Å²	30.7	30%	0.299	18%	0.178	S	C	.	.			trans	-57.6	144.4	179.3	-24.7	34.1	0	0	0	112.7	T542 F575 Q636	T542-P573 PolarHBondContact OG1-O 3.16Å; P573-F575 HydrophobicContact CB-CE2 3.97Å; P573-F575 HydrophobicContact CB-CZ 4.4Å; P573-F575 WeakPolarHBondContact O-CD2 3.18Å; P573-F575 WeakPolarHBondContact O-CE2 3.41Å; P573-Q636 HydrophobicContact CB-CG 3.68Å
574	T	96.7	Very high	89.3	Confident	33 Å²	33	34.2 Å²	34.2	20%	0.202	20%	0.199	C	C	.	.			trans	-79.7	139.2	170.1	-66.3	0	0	0	0	109.3	V566 R567 R568 I594 C637	V566-T574 HydrophobicContact CG1-CG2 3.44Å; V566-T574 VanDerWaalsContact CG1-CG2 3.44Å; R567-T574 WeakPolarHBondContact O-CA 3.32Å; R568-T574 HydrophobicContact CG-CG2 3.87Å; T574-I594 HydrophobicContact CG2-CG2 4.46Å; T574-C637 PolarHBondContact O-N 2.65Å
575	F	97.1	Very high	88.5	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.7	175.9	-69.3	-98.9	0	0	0	111	L537 T542 F543 V566 R567 P573 R601 V634 L635 Q636	L537-F575 HydrophobicContact CD2-CE1 4.34Å; T542-F575 HydrophobicContact CG2-CD2 3.72Å; T542-F575 HydrophobicContact CG2-CE2 4.32Å; F543-F575 HydrophobicContact CE2-CB 4.34Å; F543-F575 AromaticContact CE2-CD1 3.72Å; F543-F575 HydrophobicContact CE2-CD1 3.72Å; F543-F575 AromaticContact CE2-CD2 3.8Å; F543-F575 HydrophobicContact CE2-CD2 3.8Å; F543-F575 AromaticContact CE2-CE1 3.86Å; F543-F575 HydrophobicContact CE2-CE1 3.86Å; F543-F575 AromaticContact CE2-CE2 3.95Å; F543-F575 HydrophobicContact CE2-CE2 3.95Å; F543-F575 AromaticContact CE2-CG 3.68Å; F543-F575 HydrophobicContact CE2-CG 3.68Å; F543-F575 AromaticContact CE2-CZ 3.98Å; F543-F575 HydrophobicContact CE2-CZ 3.98Å; F543-F575 HydrophobicContact CZ-CB 3.79Å; F543-F575 AromaticContact CZ-CD1 3.72Å; F543-F575 HydrophobicContact CZ-CD1 3.72Å; F543-F575 HydrophobicContact CZ-CD2 4.12Å; F543-F575 HydrophobicContact CZ-CE1 4.31Å; F543-F575 AromaticContact CZ-CG 3.6Å; F543-F575 HydrophobicContact CZ-CG 3.6Å; V566-F575 CarbonylContact C-O 3.5Å; V566-F575 VanDerWaalsContact CA-O 3.3Å; V566-F575 WeakPolarHBondContact CA-O 3.38Å; R567-F575 HydrophobicContact CB-CB 4.4Å; R567-F575 PolarHBondContact N-O 2.79Å; R567-F575 PolarHBondContact O-N 2.93Å; P573-F575 HydrophobicContact CB-CE2 3.97Å; P573-F575 HydrophobicContact CB-CZ 4.4Å; P573-F575 WeakPolarHBondContact O-CD2 3.18Å; P573-F575 WeakPolarHBondContact O-CE2 3.41Å; F575-R601 HydrophobicContact CE1-CG 4.15Å; F575-V634 HydrophobicContact CD1-CG1 4Å; F575-L635 CarbonylContact C-O 3.55Å; F575-L635 WeakPolarHBondContact CA-O 3.38Å; F575-L635 WeakPolarHBondContact CD1-O 3.45Å; F575-Q636 HydrophobicContact CD1-CB 3.94Å; F575-Q636 HydrophobicContact CD1-CG 4.36Å; F575-Q636 HydrophobicContact CE1-CB 3.71Å; F575-Q636 HydrophobicContact CE1-CG 3.9Å; F575-Q636 HydrophobicContact CE2-CG 4.49Å; F575-Q636 HydrophobicContact CZ-CB 4.3Å; F575-Q636 HydrophobicContact CZ-CG 3.96Å
576	V	95	Very high	87.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.6	170.2	-177.1	0	0	0	0	108.1	V564 F565 V566 F591 I594 L635	V564-V576 HydrophobicContact CG1-CG1 3.74Å; F565-V576 CarbonylContact O-C 3.53Å; F565-V576 WeakPolarHBondContact O-CA 3.41Å; V566-V576 HydrophobicContact CG2-CG2 4.47Å; V576-F591 HydrophobicContact CG1-CD1 3.94Å; V576-F591 HydrophobicContact CG1-CE1 3.76Å; V576-F591 HydrophobicContact CG1-CE2 4.37Å; V576-F591 HydrophobicContact CG1-CG 4.34Å; V576-F591 HydrophobicContact CG1-CZ 3.94Å; V576-I594 HydrophobicContact CG2-CD1 4.41Å; V576-I594 HydrophobicContact CG2-CG2 4.17Å; V576-L635 HydrophobicContact CB-CB 4.26Å; V576-L635 HydrophobicContact CB-CD1 4.46Å; V576-L635 PolarHBondContact N-O 2.99Å; V576-L635 PolarHBondContact O-N 2.74Å
577	I	94.6	Very high	87	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129	-178.8	-54.9	153.7	0	0	0	107.7	L433 F543 V564 F565 R567 L579 I633	L433-I577 HydrophobicContact CB-CD1 3.97Å; L433-I577 HydrophobicContact CD1-CG2 3.83Å; F543-I577 HydrophobicContact CE1-CD1 3.98Å; F543-I577 HydrophobicContact CE1-CG1 4.35Å; V564-I577 CarbonylContact C-O 3.5Å; V564-I577 VanDerWaalsContact CA-O 3.3Å; V564-I577 WeakPolarHBondContact CA-O 3.15Å; F565-I577 HydrophobicContact CB-CB 4.32Å; F565-I577 HydrophobicContact CB-CD1 4.37Å; F565-I577 HydrophobicContact CD2-CB 4.47Å; F565-I577 HydrophobicContact CD2-CG2 4.46Å; F565-I577 PolarHBondContact N-O 2.77Å; F565-I577 PolarHBondContact O-N 3.15Å; R567-I577 HydrophobicContact CG-CD1 3.56Å; I577-L579 HydrophobicContact CG2-CD2 3.9Å; I577-L579 HydrophobicContact CG2-CG 3.99Å; I577-I633 CarbonylContact C-O 3.46Å; I577-I633 WeakPolarHBondContact CA-O 3.2Å
578	V	91	Very high	86.3	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.5	173.1	-172.9	0	0	0	0	107.7	Y562 G563 V564 L589 F591 I632 I633	Y562-V578 HydrophobicContact CD2-CG1 4.47Å; G563-V578 WeakPolarHBondContact O-CA 3.1Å; V564-V578 HydrophobicContact CG1-CG2 4.32Å; V564-V578 HydrophobicContact CG2-CG1 4.41Å; V564-V578 HydrophobicContact CG2-CG2 4.42Å; V578-L589 HydrophobicContact CG1-CD1 3.92Å; V578-L589 HydrophobicContact CG2-CD1 4.06Å; V578-F591 HydrophobicContact CG2-CZ 3.83Å; V578-I632 WeakPolarHBondContact O-CA 3.33Å; V578-I633 HydrophobicContact CB-CB 4.08Å; V578-I633 HydrophobicContact CG2-CB 4.42Å; V578-I633 PolarHBondContact N-O 3.03Å; V578-I633 PolarHBondContact O-N 3.27Å
579	L	89.9	Confident	85.8	Confident	6 Å²	6	40.3 Å²	40.3	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.7	172.9	-58.5	-175.5	0	0	0	108	L395 L426 A429 A430 Y562 G563 F565 I577 I632	L395-L579 HydrophobicContact CD2-CD1 3.73Å; L426-L579 HydrophobicContact CD2-CB 4.4Å; A429-L579 HydrophobicContact CB-CD2 4.1Å; A430-L579 HydrophobicContact CB-CD1 3.73Å; Y562-L579 CarbonylContact C-O 3.53Å; Y562-L579 WeakPolarHBondContact CA-O 3.37Å; Y562-L579 WeakPolarHBondContact CB-O 3.4Å; G563-L579 PolarHBondContact N-O 2.94Å; G563-L579 PolarHBondContact O-N 3.05Å; F565-L579 HydrophobicContact CD2-CD1 4.49Å; F565-L579 HydrophobicContact CE2-CB 4.44Å; F565-L579 HydrophobicContact CE2-CD1 3.96Å; F565-L579 HydrophobicContact CE2-CG 4.17Å; I577-L579 HydrophobicContact CG2-CD2 3.9Å; I577-L579 HydrophobicContact CG2-CG 3.99Å; L579-I632 HydrophobicContact CD2-CB 4.42Å; L579-I632 HydrophobicContact CD2-CG1 4.15Å; L579-I632 HydrophobicContact CD2-CG2 3.89Å
580	M	84.2	Confident	85.3	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137	-177.5	178.5	170.1	63.2	0	0	110.7	T583 F587 I623 N630 Q631	M580-T583 HydrophobicContact SD-CG2 4.27Å; M580-F587 HydrophobicContact SD-CE1 3.92Å; M580-F587 HydrophobicContact SD-CZ 3.74Å; M580-I623 HydrophobicContact CE-CG2 3.91Å; M580-I623 HydrophobicContact SD-CG2 4.46Å; M580-N630 CarbonylContact O-C 3.59Å; M580-N630 VanDerWaalsContact O-CA 3.27Å; M580-N630 WeakPolarHBondContact O-CA 3.39Å; M580-Q631 HydrophobicContact CB-CB 4.27Å; M580-Q631 HydrophobicContact CE-CB 3.7Å; M580-Q631 HydrophobicContact CE-CG 3.64Å; M580-Q631 PolarHBondContact N-O 3.14Å; M580-Q631 PolarHBondContact O-N 2.64Å
581	R	80	Confident	85.1	Confident	87 Å²	87	35.8 Å²	35.8	33%	0.328	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-51.6	176.7	-158.7	166.8	-169.2	170.4	-4.5	112.8	P390 L426 Y561 S629 N630	P390-R581 PolarHBondContact O-NH1 2.79Å; P390-R581 PolarHBondContact O-NH2 3.23Å; L426-R581 HydrophobicContact CD1-CB 3.85Å; L426-R581 HydrophobicContact CD1-CG 3.96Å; Y561-R581 PolarHBondContact O-N 3.24Å; R581-S629 CarbonylContact O-C 3.56Å; R581-S629 VanDerWaalsContact O-O 3.13Å; R581-N630 WeakPolarHBondContact CG-OD1 3.3Å; R581-N630 WeakPolarHBondContact O-CA 3.18Å; R581-N630 PolarHBondContact O-N 2.53Å; R581-N630 PolarHBondContact O-OD1 3.24Å
582	Y	73.9	Confident	84.8	Confident	57 Å²	57	38.3 Å²	38.3	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	164.9	170.2	63.3	-85.3	0	0	0	109	Y561 T584	Y561-Y582 HydrophobicContact CD1-CE1 4.36Å; Y561-Y582 HydrophobicContact CD2-CD1 4.05Å; Y561-Y582 AromaticContact CD2-CD2 3.82Å; Y561-Y582 HydrophobicContact CD2-CD2 3.82Å; Y561-Y582 AromaticContact CD2-CE1 3.57Å; Y561-Y582 HydrophobicContact CD2-CE1 3.57Å; Y561-Y582 AromaticContact CD2-CE2 3.32Å; Y561-Y582 HydrophobicContact CD2-CE2 3.32Å; Y561-Y582 HydrophobicContact CD2-CG 4.17Å; Y561-Y582 AromaticContact CD2-CZ 3.19Å; Y561-Y582 HydrophobicContact CE2-CD2 4.14Å; Y561-Y582 AromaticContact CE2-CE1 3.93Å; Y561-Y582 HydrophobicContact CE2-CE1 3.93Å; Y561-Y582 AromaticContact CE2-CE2 3.21Å; Y561-Y582 HydrophobicContact CE2-CE2 3.21Å; Y561-Y582 AromaticContact CE2-CZ 3.09Å; Y561-Y582 WeakPolarHBondContact CE2-OH 3.45Å; Y561-Y582 HydrophobicContact CG-CD1 4.31Å; Y561-Y582 AromaticContact CG-CE1 3.81Å; Y561-Y582 HydrophobicContact CG-CE1 3.81Å; Y561-Y582 HydrophobicContact CG-CE2 4.37Å; Y561-Y582 AromaticContact CG-CZ 3.86Å; Y561-Y582 AromaticContact CZ-CZ 3.65Å; Y561-Y582 PolarHBondContact OH-OH 3.47Å; Y582-T584 HydrophobicContact CD2-CG2 4.35Å; Y582-T584 HydrophobicContact CE2-CG2 4.12Å
583	T	69.9	Low	84.5	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.8	170.8	-179.9	0	0	0	0	110.1	Y560 M580 S585 F587 I623	Y560-T583 WeakPolarHBondContact CD1-OG1 3.49Å; M580-T583 HydrophobicContact SD-CG2 4.27Å; T583-S585 PolarHBondContact OG1-N 3.25Å; T583-S585 PolarHBondContact OG1-O 3.32Å; T583-F587 HydrophobicContact CG2-CE1 4.15Å; T583-I623 HydrophobicContact CG2-CG2 4.03Å
584	T	69.7	Low	84.2	Confident	81 Å²	81	39.8 Å²	39.8	50%	0.497	19%	0.19	S	C	.	.	S	Bend	trans	-98.9	-11.5	175.3	58	0	0	0	0	112.7	K559 Y582	K559-T584 PolarHBondContact O-OG1 2.91Å; Y582-T584 HydrophobicContact CD2-CG2 4.35Å; Y582-T584 HydrophobicContact CE2-CG2 4.12Å
585	S	72.6	Confident	83.8	Confident	26 Å²	26	38.4 Å²	38.4	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	-148.3	159.2	-176	52.2	0	0	0	0	112.3	Y560 T583	Y560-S585 WeakPolarHBondContact CE1-OG 3.01Å; Y560-S585 VanDerWaalsContact CZ-OG 3.27Å; Y560-S585 PolarHBondContact OH-OG 2.74Å; T583-S585 PolarHBondContact OG1-N 3.25Å; T583-S585 PolarHBondContact OG1-O 3.32Å
586	N	76.6	Confident	83.4	Confident	100 Å²	100	42.9 Å²	42.9	54%	0.535	21%	0.213	S	C	.	.			trans	-63.8	140	171.6	-63.2	-4.5	0	0	0	109.1	I623 N625	N586-I623 WeakPolarHBondContact CA-O 3.34Å; N586-N625 WeakPolarHBondContact OD1-CA 3.44Å; N586-N625 WeakPolarHBondContact OD1-CB 3.4Å; N586-N625 PolarHBondContact OD1-N 2.82Å
587	F	76.6	Confident	83.2	Confident	21 Å²	21	43.9 Å²	43.9	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.2	170.8	68.3	-79.2	0	0	0	110.5	Y560 Y562 M580 T583 L589 I623	Y560-F587 AromaticContact CD1-CD1 3.79Å; Y560-F587 HydrophobicContact CD1-CD1 3.79Å; Y560-F587 HydrophobicContact CD1-CE1 4.03Å; Y560-F587 HydrophobicContact CD1-CG 4.31Å; Y560-F587 HydrophobicContact CE1-CB 4.02Å; Y560-F587 AromaticContact CE1-CD1 3.59Å; Y560-F587 HydrophobicContact CE1-CD1 3.59Å; Y560-F587 HydrophobicContact CE1-CE1 4.29Å; Y560-F587 AromaticContact CE1-CG 3.97Å; Y560-F587 HydrophobicContact CE1-CG 3.97Å; Y562-F587 HydrophobicContact CD1-CE2 4.18Å; Y562-F587 AromaticContact CD1-CZ 3.9Å; Y562-F587 HydrophobicContact CD1-CZ 3.9Å; Y562-F587 HydrophobicContact CE1-CD2 4.26Å; Y562-F587 HydrophobicContact CE1-CE1 4.45Å; Y562-F587 AromaticContact CE1-CE2 3.55Å; Y562-F587 HydrophobicContact CE1-CE2 3.55Å; Y562-F587 AromaticContact CE1-CZ 3.68Å; Y562-F587 HydrophobicContact CE1-CZ 3.68Å; Y562-F587 HydrophobicContact CE2-CE2 4.44Å; Y562-F587 AromaticContact CZ-CE2 3.75Å; M580-F587 HydrophobicContact SD-CE1 3.92Å; M580-F587 HydrophobicContact SD-CZ 3.74Å; T583-F587 HydrophobicContact CG2-CE1 4.15Å; F587-L589 HydrophobicContact CD2-CD2 4.2Å; F587-L589 HydrophobicContact CD2-CG 4.08Å; F587-L589 HydrophobicContact CE2-CD1 4.05Å; F587-L589 HydrophobicContact CE2-CD2 3.62Å; F587-L589 HydrophobicContact CE2-CG 3.54Å; F587-L589 HydrophobicContact CZ-CG 4.5Å; F587-I623 HydrophobicContact CD1-CB 3.99Å; F587-I623 HydrophobicContact CD1-CG2 4.19Å; F587-I623 HydrophobicContact CE1-CB 3.67Å; F587-I623 HydrophobicContact CE1-CG1 4.09Å; F587-I623 HydrophobicContact CE1-CG2 3.57Å; F587-I623 HydrophobicContact CE2-CB 4.43Å; F587-I623 HydrophobicContact CE2-CG1 4.09Å; F587-I623 HydrophobicContact CG-CB 4.48Å; F587-I623 HydrophobicContact CZ-CB 3.91Å; F587-I623 HydrophobicContact CZ-CG1 3.78Å; F587-I623 HydrophobicContact CZ-CG2 4.04Å; F587-I623 PolarHBondContact N-O 3.14Å; F587-I623 VanDerWaalsContact N-O 3.15Å; F587-I623 PolarHBondContact O-N 3.48Å
588	V	81.3	Confident	83	Confident	66 Å²	66	43.9 Å²	43.9	40%	0.4	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126	177.6	-177.2	0	0	0	0	108.1	E620 I621 H622	V588-E620 HydrophobicContact CG1-CB 3.97Å; V588-E620 HydrophobicContact CG1-CG 4.29Å; V588-I621 WeakPolarHBondContact CA-O 3.36Å; V588-H622 WeakPolarHBondContact CG2-ND1 3.11Å
589	L	84.1	Confident	83	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.8	167.5	-71.7	169.8	0	0	0	108	F554 Y562 V564 V578 F587 F591 E620 I621 I623	F554-L589 HydrophobicContact CD1-CD2 3.99Å; F554-L589 HydrophobicContact CE1-CD2 3.63Å; F554-L589 HydrophobicContact CZ-CD2 4.14Å; Y562-L589 HydrophobicContact CE2-CD2 3.84Å; V564-L589 HydrophobicContact CG2-CD2 4.37Å; V578-L589 HydrophobicContact CG1-CD1 3.92Å; V578-L589 HydrophobicContact CG2-CD1 4.06Å; F587-L589 HydrophobicContact CD2-CD2 4.2Å; F587-L589 HydrophobicContact CD2-CG 4.08Å; F587-L589 HydrophobicContact CE2-CD1 4.05Å; F587-L589 HydrophobicContact CE2-CD2 3.62Å; F587-L589 HydrophobicContact CE2-CG 3.54Å; F587-L589 HydrophobicContact CZ-CG 4.5Å; L589-F591 HydrophobicContact CB-CE1 4.35Å; L589-F591 HydrophobicContact CB-CE2 3.78Å; L589-F591 HydrophobicContact CB-CZ 3.61Å; L589-F591 HydrophobicContact CD1-CZ 4.14Å; L589-F591 HydrophobicContact CD2-CZ 4.19Å; L589-F591 HydrophobicContact CG-CZ 4.2Å; L589-E620 CarbonylContact O-C 3.54Å; L589-E620 WeakPolarHBondContact O-CA 3.4Å; L589-I621 HydrophobicContact CB-CB 4.27Å; L589-I621 PolarHBondContact N-O 2.9Å; L589-I621 PolarHBondContact O-N 3.35Å; L589-I623 HydrophobicContact CD1-CD1 4.39Å; L589-I623 HydrophobicContact CD1-CG1 4.05Å; L589-I623 HydrophobicContact CG-CG1 4.46Å
590	D	84.7	Confident	83.1	Confident	44 Å²	44	44.6 Å²	44.6	24%	0.235	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.4	176.6	-178.2	0.4	0	0	0	109.9	R592 Y593 E620	D590-R592 VanDerWaalsContact CG-NE 3.35Å; D590-R592 VanDerWaalsContact OD1-CB 3.25Å; D590-R592 WeakPolarHBondContact OD1-CB 3.33Å; D590-R592 WeakPolarHBondContact OD1-CG 3.06Å; D590-R592 IonicContact OD1-CZ 3.21Å; D590-R592 PolarHBondContact OD1-N 3.07Å; D590-R592 IonicContact OD1-NE 2.68Å; D590-R592 PolarHBondContact OD1-NE 3.5Å; D590-R592 IonicContact OD2-CZ 3.93Å; D590-R592 IonicContact OD2-NE 3.83Å; D590-R592 PolarHBondContact OD2-NE 3.08Å; D590-R592 IonicContact OD2-NH2 2.74Å; D590-R592 PolarHBondContact OD2-NH2 3.25Å; D590-Y593 WeakPolarHBondContact O-CE1 3.36Å; D590-E620 HydrophobicContact CB-CG 4.4Å
591	F	88	Confident	83.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.			trans	-115.1	15.4	178	-51.5	-61.4	0	0	0	113.5	F554 V564 V576 V578 L589 Y593 I594 C595 P619 I621 L635	F554-F591 HydrophobicContact CE2-CE1 4.1Å; F554-F591 HydrophobicContact CZ-CD1 4.37Å; F554-F591 AromaticContact CZ-CE1 3.93Å; F554-F591 HydrophobicContact CZ-CE1 3.93Å; V564-F591 HydrophobicContact CG1-CE1 3.8Å; V564-F591 HydrophobicContact CG1-CZ 4.33Å; V576-F591 HydrophobicContact CG1-CD1 3.94Å; V576-F591 HydrophobicContact CG1-CE1 3.76Å; V576-F591 HydrophobicContact CG1-CE2 4.37Å; V576-F591 HydrophobicContact CG1-CG 4.34Å; V576-F591 HydrophobicContact CG1-CZ 3.94Å; V578-F591 HydrophobicContact CG2-CZ 3.83Å; L589-F591 HydrophobicContact CB-CE1 4.35Å; L589-F591 HydrophobicContact CB-CE2 3.78Å; L589-F591 HydrophobicContact CB-CZ 3.61Å; L589-F591 HydrophobicContact CD1-CZ 4.14Å; L589-F591 HydrophobicContact CD2-CZ 4.19Å; L589-F591 HydrophobicContact CG-CZ 4.2Å; F591-Y593 PolarHBondContact O-N 2.91Å; F591-Y593 VanDerWaalsContact O-N 3.11Å; F591-I594 HydrophobicContact CB-CD1 4.47Å; F591-I594 HydrophobicContact CD1-CD1 4.09Å; F591-I594 WeakPolarHBondContact O-CA 3.47Å; F591-I594 PolarHBondContact O-N 3.39Å; F591-C595 PolarHBondContact O-N 3.12Å; F591-P619 HydrophobicContact CB-CB 4.2Å; F591-P619 PolarHBondContact N-O 2.94Å; F591-I621 HydrophobicContact CE2-CD1 4.15Å; F591-L635 HydrophobicContact CD2-CD1 3.61Å; F591-L635 HydrophobicContact CE2-CD1 3.46Å; F591-L635 VanDerWaalsContact CE2-CD1 3.46Å; F591-L635 HydrophobicContact CZ-CD1 4.45Å
592	R	86.5	Confident	84.2	Confident	142 Å²	142	45.1 Å²	45.1	54%	0.536	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.9	-178.7	-75	178.7	-67.2	-165.7	-7.9	114.3	D590 I594 C595 P619 E620	D590-R592 VanDerWaalsContact CG-NE 3.35Å; D590-R592 VanDerWaalsContact OD1-CB 3.25Å; D590-R592 WeakPolarHBondContact OD1-CB 3.33Å; D590-R592 WeakPolarHBondContact OD1-CG 3.06Å; D590-R592 IonicContact OD1-CZ 3.21Å; D590-R592 PolarHBondContact OD1-N 3.07Å; D590-R592 IonicContact OD1-NE 2.68Å; D590-R592 PolarHBondContact OD1-NE 3.5Å; D590-R592 IonicContact OD2-CZ 3.93Å; D590-R592 IonicContact OD2-NE 3.83Å; D590-R592 PolarHBondContact OD2-NE 3.08Å; D590-R592 IonicContact OD2-NH2 2.74Å; D590-R592 PolarHBondContact OD2-NH2 3.25Å; R592-I594 PolarHBondContact O-N 2.8Å; R592-C595 WeakPolarHBondContact CA-O 3.38Å; R592-P619 HydrophobicContact CB-CG 4.32Å; R592-P619 HydrophobicContact CG-CG 3.64Å; R592-E620 IonicContact CZ-OE1 2.69Å; R592-E620 IonicContact NE-OE1 2.98Å; R592-E620 IonicContact NH1-OE1 2.71Å; R592-E620 PolarHBondContact NH1-OE1 3.11Å; R592-E620 VanDerWaalsContact NH1-OE1 3.15Å; R592-E620 IonicContact NH2-OE1 3.07Å; R592-E620 PolarHBondContact NH2-OE1 3.46Å
593	Y	86.9	Confident	85	Confident	127 Å²	127	42.5 Å²	42.5	50%	0.498	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.7	176.7	63.9	-88.2	0	0	0	113.4	L551 S553 F554 D590 F591	L551-Y593 WeakPolarHBondContact CD1-OH 3.31Å; L551-Y593 HydrophobicContact CD2-CE2 4.35Å; S553-Y593 PolarHBondContact OG-OH 3.14Å; F554-Y593 WeakPolarHBondContact CE2-OH 3.37Å; D590-Y593 WeakPolarHBondContact O-CE1 3.36Å; F591-Y593 PolarHBondContact O-N 2.91Å; F591-Y593 VanDerWaalsContact O-N 3.11Å
594	I	88.5	Confident	86	Confident	33 Å²	33	43.3 Å²	43.3	17%	0.169	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-47.7	-178.1	-46.5	177.1	0	0	0	110.6	L551 V566 T574 V576 F591 R592	L551-I594 HydrophobicContact CD1-CD1 3.36Å; L551-I594 HydrophobicContact CD2-CD1 4.24Å; L551-I594 HydrophobicContact CG-CD1 4.43Å; V566-I594 HydrophobicContact CG1-CG2 4.11Å; V566-I594 HydrophobicContact CG2-CD1 3.89Å; V566-I594 HydrophobicContact CG2-CG2 4.28Å; T574-I594 HydrophobicContact CG2-CG2 4.46Å; V576-I594 HydrophobicContact CG2-CD1 4.41Å; V576-I594 HydrophobicContact CG2-CG2 4.17Å; F591-I594 HydrophobicContact CB-CD1 4.47Å; F591-I594 HydrophobicContact CD1-CD1 4.09Å; F591-I594 WeakPolarHBondContact O-CA 3.47Å; F591-I594 PolarHBondContact O-N 3.39Å; R592-I594 PolarHBondContact O-N 2.8Å
595	C	89.8	Confident	86.8	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.034	21%	0.21	C	C	.	.			trans	-125	140.3	-177.6	-42.9	0	0	0	0	109.4	F591 R592 S597 V598 C637	F591-C595 PolarHBondContact O-N 3.12Å; R592-C595 WeakPolarHBondContact CA-O 3.38Å; C595-S597 WeakPolarHBondContact CB-O 3.07Å; C595-V598 HydrophobicContact CB-CG1 3.52Å; C595-V598 WeakPolarHBondContact SG-CG1 3.37Å; C595-C637 HydrophobicContact CB-CB 3.55Å; C595-C637 WeakPolarHBondContact CB-SG 3.5Å; C595-C637 WeakPolarHBondContact SG-CB 3.2Å; C595-C637 CovalentContact SG-SG 2.03Å; C595-C637 PolarHBondContact SG-SG 3.12Å
596	S	88	Confident	87.2	Confident	95 Å²	95	42.9 Å²	42.9	66%	0.664	22%	0.22	S	C	*	.	S	Bend	trans	-72.5	-39.1	169	39.8	0	0	0	0	112.1
597	S	89.7	Confident	87.3	Confident	21 Å²	21	39.8 Å²	39.8	15%	0.147	20%	0.203	C	C	.	.	S	Bend	trans	-145.4	161.1	170.6	54	0	0	0	0	109.3	C595 L616 N638	C595-S597 WeakPolarHBondContact CB-O 3.07Å; S597-L616 WeakPolarHBondContact CA-O 3.39Å; S597-L616 WeakPolarHBondContact CB-O 3.26Å; S597-N638 PolarHBondContact O-N 2.89Å; S597-N638 WeakPolarHBondContact OG-CB 3.3Å
598	V	90.9	Very high	87.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.5	-178.7	-66	0	0	0	0	112.4	C595 E615 L616 P619 L635 Q636	C595-V598 HydrophobicContact CB-CG1 3.52Å; C595-V598 WeakPolarHBondContact SG-CG1 3.37Å; V598-E615 CarbonylContact O-C 3.46Å; V598-E615 WeakPolarHBondContact O-CA 3.15Å; V598-L616 HydrophobicContact CG2-CB 3.8Å; V598-L616 HydrophobicContact CG2-CD1 4.07Å; V598-L616 HydrophobicContact CG2-CG 4.37Å; V598-L616 PolarHBondContact N-O 3.15Å; V598-L616 PolarHBondContact O-N 2.7Å; V598-P619 HydrophobicContact CB-CB 4.43Å; V598-P619 HydrophobicContact CG1-CB 3.83Å; V598-P619 HydrophobicContact CG2-CB 3.81Å; V598-L635 HydrophobicContact CB-CB 4.29Å; V598-L635 HydrophobicContact CG1-CB 4.44Å; V598-L635 HydrophobicContact CG2-CD1 4.49Å; V598-Q636 CarbonylContact C-O 3.48Å; V598-Q636 VanDerWaalsContact CA-O 3.24Å; V598-Q636 WeakPolarHBondContact CA-O 3.24Å
599	S	92.2	Very high	86.8	Confident	24 Å²	24	47.9 Å²	47.9	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.3	164.3	-61.7	0	0	0	0	110	R601 L635 Q636 N638	S599-R601 PolarHBondContact O-N 2.8Å; S599-L635 CarbonylContact O-C 3.57Å; S599-L635 WeakPolarHBondContact O-CA 3.19Å; S599-Q636 PolarHBondContact N-O 3.2Å; S599-Q636 PolarHBondContact O-N 3.14Å; S599-N638 WeakPolarHBondContact CB-OD1 3.16Å; S599-N638 VanDerWaalsContact OG-CG 3.27Å; S599-N638 PolarHBondContact OG-ND2 2.77Å; S599-N638 PolarHBondContact OG-OD1 3.38Å
600	V	91.9	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.3	174.2	-176.2	0	0	0	0	108.7	V603 L610 N613 N614 L616 L635	V600-V603 HydrophobicContact CG1-CG2 3.38Å; V600-L610 HydrophobicContact CG1-CG 4.25Å; V600-L610 HydrophobicContact CG2-CD1 3.65Å; V600-L610 HydrophobicContact CG2-CG 4.08Å; V600-N613 WeakPolarHBondContact O-CA 3.43Å; V600-N613 PolarHBondContact O-N 2.81Å; V600-N614 PolarHBondContact N-O 3.09Å; V600-L616 HydrophobicContact CG2-CD1 4.19Å; V600-L616 HydrophobicContact CG2-CG 4.44Å; V600-L635 HydrophobicContact CB-CD2 4.34Å; V600-L635 HydrophobicContact CG1-CD2 4.37Å; V600-L635 HydrophobicContact CG2-CD2 3.96Å
601	R	93.4	Very high	86.1	Confident	99 Å²	99	49 Å²	49	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-31.9	-177.8	-57.6	-62.5	-69.4	159.9	-4.8	113.3	L537 F575 S599 N613 V634 Q636	L537-R601 HydrophobicContact CD2-CB 3.98Å; F575-R601 HydrophobicContact CE1-CG 4.15Å; S599-R601 PolarHBondContact O-N 2.8Å; R601-N613 PolarHBondContact NH1-OD1 2.63Å; R601-V634 WeakPolarHBondContact CA-O 3.42Å; R601-V634 PolarHBondContact N-O 3.02Å; R601-Q636 HydrophobicContact CG-CB 3.66Å
602	L	93.1	Very high	85.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	136.3	177.5	-176.7	154.5	0	0	0	109.8	L530 R533 L534 L537 I632 I633 V634	L530-L602 HydrophobicContact CD1-CD1 4.14Å; L530-L602 HydrophobicContact CD1-CD2 4.11Å; R533-L602 HydrophobicContact CB-CD1 3.73Å; L534-L602 HydrophobicContact CD2-CD1 3.82Å; L534-L602 HydrophobicContact CG-CD1 4.1Å; L537-L602 HydrophobicContact CD1-CB 3.96Å; L537-L602 HydrophobicContact CD1-CD1 3.79Å; L602-I632 HydrophobicContact CD2-CB 4.14Å; L602-I632 HydrophobicContact CD2-CG2 3.62Å; L602-I633 CarbonylContact O-C 3.56Å; L602-I633 WeakPolarHBondContact O-CA 3.32Å; L602-V634 HydrophobicContact CB-CB 3.97Å; L602-V634 HydrophobicContact CB-CG2 4.08Å; L602-V634 HydrophobicContact CD2-CG2 4.34Å; L602-V634 PolarHBondContact N-O 3.1Å; L602-V634 VanDerWaalsContact N-O 3.14Å; L602-V634 PolarHBondContact O-N 2.83Å
603	V	91	Very high	84.7	Confident	3 Å²	3	49 Å²	49	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.1	168.8	-178	0	0	0	0	107.5	V600 I607 L610 I632 I633	V600-V603 HydrophobicContact CG1-CG2 3.38Å; V603-I607 HydrophobicContact CG1-CB 4Å; V603-I607 HydrophobicContact CG1-CD1 3.73Å; V603-I607 HydrophobicContact CG1-CG1 3.66Å; V603-L610 HydrophobicContact CG2-CD2 3.72Å; V603-L610 HydrophobicContact CG2-CG 4Å; V603-I632 CarbonylContact C-O 3.6Å; V603-I632 VanDerWaalsContact CA-O 3.3Å; V603-I632 WeakPolarHBondContact CA-O 3.27Å; V603-I633 HydrophobicContact CG1-CG1 4.5Å; V603-I633 HydrophobicContact CG2-CG2 4.35Å
604	Y	90.4	Very high	84.4	Confident	22 Å²	22	46.8 Å²	46.8	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	130.7	-179.6	179.8	-86.8	0	0	0	112.5	V425 Q525 T526 L530 Q631 I632	V425-Y604 HydrophobicContact CG2-CE1 4.43Å; Q525-Y604 WeakPolarHBondContact O-CE2 3.48Å; Q525-Y604 PolarHBondContact O-OH 3.46Å; T526-Y604 WeakPolarHBondContact O-CE2 3.33Å; L530-Y604 HydrophobicContact CB-CD2 3.82Å; L530-Y604 HydrophobicContact CB-CE2 3.82Å; L530-Y604 HydrophobicContact CB-CG 4.23Å; L530-Y604 HydrophobicContact CD1-CD1 4.25Å; L530-Y604 HydrophobicContact CD1-CD2 4.18Å; L530-Y604 HydrophobicContact CD1-CG 3.81Å; L530-Y604 HydrophobicContact CD2-CD1 3.82Å; L530-Y604 HydrophobicContact CD2-CD2 4.46Å; L530-Y604 HydrophobicContact CD2-CE1 3.84Å; L530-Y604 HydrophobicContact CD2-CE2 4.46Å; L530-Y604 HydrophobicContact CD2-CG 4.13Å; L530-Y604 HydrophobicContact CG-CD1 4.45Å; L530-Y604 HydrophobicContact CG-CD2 4.36Å; L530-Y604 HydrophobicContact CG-CG 4.27Å; Y604-Q631 CarbonylContact O-C 3.59Å; Y604-Q631 VanDerWaalsContact O-CA 3.29Å; Y604-Q631 WeakPolarHBondContact O-CA 3.41Å; Y604-I632 HydrophobicContact CD1-CD1 3.93Å; Y604-I632 PolarHBondContact N-O 3.25Å; Y604-I632 PolarHBondContact O-N 2.88Å
605	P	86.4	Confident	84	Confident	40 Å²	40	50.8 Å²	50.8	26%	0.26	29%	0.291	S	S	.	.	S	Bend	cis	-55.4	164.3	-19.1	-23.8	35.6	0	0	0	111.4	I607 N630	P605-I607 PolarHBondContact O-N 2.66Å; P605-N630 WeakPolarHBondContact CD-O 3.38Å
606	S	82	Confident	83.5	Confident	58 Å²	58	52.6 Å²	52.6	41%	0.406	30%	0.3	S	S	.	.			trans	-61.2	137	-177.9	-66.2	0	0	0	0	111.9	Q525	Q525-S606 VanDerWaalsContact NE2-CB 3.28Å; Q525-S606 PolarHBondContact NE2-OG 3.04Å; Q525-S606 VanDerWaalsContact OE1-N 3.09Å
607	I	78.3	Confident	83	Confident	34 Å²	34	58.3 Å²	58.3	17%	0.174	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-106	122.5	174.2	-59.5	170	0	0	0	107.5	V603 P605 N609 L610 Q631 I633	V603-I607 HydrophobicContact CG1-CB 4Å; V603-I607 HydrophobicContact CG1-CD1 3.73Å; V603-I607 HydrophobicContact CG1-CG1 3.66Å; P605-I607 PolarHBondContact O-N 2.66Å; I607-N609 PolarHBondContact O-N 2.88Å; I607-N609 VanDerWaalsContact O-N 3.12Å; I607-L610 HydrophobicContact CB-CB 4.2Å; I607-L610 HydrophobicContact CG2-CB 4.28Å; I607-L610 CarbonylContact O-C 3.59Å; I607-L610 PolarHBondContact O-N 2.85Å; I607-Q631 VanDerWaalsContact CD1-OE1 3.31Å; I607-I633 HydrophobicContact CD1-CD1 4.15Å
608	P	74.4	Confident	82.3	Confident	121 Å²	121	61.6 Å²	61.6	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.1	-175.7	-29.5	35.2	0	0	0	114.9
609	N	73.8	Confident	81.6	Confident	136 Å²	136	61.6 Å²	61.6	73%	0.727	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	3	-177.6	-62.8	-13.9	0	0	0	113.8	I607	I607-N609 PolarHBondContact O-N 2.88Å; I607-N609 VanDerWaalsContact O-N 3.12Å
610	L	78.4	Confident	81	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.047	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-139.5	67.6	-179.7	-168.8	73.9	0	0	0	109.6	V600 V603 I607 L616 I621 I633	V600-L610 HydrophobicContact CG1-CG 4.25Å; V600-L610 HydrophobicContact CG2-CD1 3.65Å; V600-L610 HydrophobicContact CG2-CG 4.08Å; V603-L610 HydrophobicContact CG2-CD2 3.72Å; V603-L610 HydrophobicContact CG2-CG 4Å; I607-L610 HydrophobicContact CB-CB 4.2Å; I607-L610 HydrophobicContact CG2-CB 4.28Å; I607-L610 CarbonylContact O-C 3.59Å; I607-L610 PolarHBondContact O-N 2.85Å; L610-L616 HydrophobicContact CD1-CD1 3.73Å; L610-I621 HydrophobicContact CD1-CD1 4.19Å; L610-I621 HydrophobicContact CD1-CG1 4.32Å; L610-I621 HydrophobicContact CD1-CG2 4.43Å; L610-I621 HydrophobicContact CD2-CD1 4.03Å; L610-I621 HydrophobicContact CD2-CG2 4Å; L610-I633 HydrophobicContact CD2-CD1 4.09Å; L610-I633 HydrophobicContact CD2-CG1 4.44Å; L610-I633 HydrophobicContact CD2-CG2 3.99Å
611	P	74.3	Confident	80.4	Confident	59 Å²	59	63.8 Å²	63.8	38%	0.383	34%	0.337	S	S	.	.			trans	-68	148.1	178.3	31.8	-36.8	0	0	0	110.5	N614	P611-N614 HydrophobicContact CG-CB 4.29Å; P611-N614 WeakPolarHBondContact CG-ND2 3.32Å
612	A	70.3	Confident	79.6	Confident	31 Å²	31	64.8 Å²	64.8	26%	0.256	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	151.6	176.7	0	0	0	0	0	111.3	N614	A612-N614 PolarHBondContact O-N 2.82Å
613	N	74.9	Confident	78.7	Confident	113 Å²	113	65.1 Å²	65.1	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	6.7	-176.6	-57.5	-45.7	0	0	0	116.7	V600 R601	V600-N613 WeakPolarHBondContact O-CA 3.43Å; V600-N613 PolarHBondContact O-N 2.81Å; R601-N613 PolarHBondContact NH1-OD1 2.63Å
614	N	80.1	Confident	77.6	Confident	79 Å²	79	68.9 Å²	68.9	42%	0.422	37%	0.37	S	S	.	.			trans	-74.5	141.3	170.3	-87.1	17.9	0	0	0	111.9	V600 P611 A612	V600-N614 PolarHBondContact N-O 3.09Å; P611-N614 HydrophobicContact CG-CB 4.29Å; P611-N614 WeakPolarHBondContact CG-ND2 3.32Å; A612-N614 PolarHBondContact O-N 2.82Å
615	E	80.9	Confident	76.1	Confident	117 Å²	117	71.6 Å²	71.6	55%	0.547	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.3	168.5	-175.2	172.2	-165.3	0	0	110.1	V598 N638	V598-E615 CarbonylContact O-C 3.46Å; V598-E615 WeakPolarHBondContact O-CA 3.15Å; E615-N638 VanDerWaalsContact CD-ND2 3.31Å; E615-N638 WeakPolarHBondContact CG-ND2 3.27Å; E615-N638 PolarHBondContact OE1-ND2 3.2Å
616	L	80	Confident	74.5	Confident	43 Å²	43	80.9 Å²	80.9	23%	0.225	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.2	173.3	-59.6	174.9	0	0	0	108.9	S597 V598 V600 L610 C618 I621	S597-L616 WeakPolarHBondContact CA-O 3.39Å; S597-L616 WeakPolarHBondContact CB-O 3.26Å; V598-L616 HydrophobicContact CG2-CB 3.8Å; V598-L616 HydrophobicContact CG2-CD1 4.07Å; V598-L616 HydrophobicContact CG2-CG 4.37Å; V598-L616 PolarHBondContact N-O 3.15Å; V598-L616 PolarHBondContact O-N 2.7Å; V600-L616 HydrophobicContact CG2-CD1 4.19Å; V600-L616 HydrophobicContact CG2-CG 4.44Å; L610-L616 HydrophobicContact CD1-CD1 3.73Å; L616-C618 VanDerWaalsContact C-N 3.33Å; L616-I621 HydrophobicContact CD1-CG1 4.18Å
617	R	77.3	Confident	73.2	Confident	215 Å²	215	80.3 Å²	80.3	81%	0.811	41%	0.41	S	S	*	.	S	Bend	trans	-70.3	-29.8	174.3	-68.3	-171.6	179.3	-170.7	0.8	113.1
618	C	74.4	Confident	72.3	Confident	90 Å²	90	86.5 Å²	86.5	61%	0.608	44%	0.442	S	S	*	.	S	Bend	trans	-107.4	109.5	169.1	-68.2	0	0	0	0	106.9	L616 E620	L616-C618 VanDerWaalsContact C-N 3.33Å; C618-E620 PolarHBondContact O-N 3.13Å
619	P	77.2	Confident	72.4	Confident	1 Å²	1	83 Å²	83	1%	0.006	42%	0.42	C	S	.	.			trans	-78.4	52.9	-177.9	35.4	-38.5	0	0	0	111.3	F591 R592 V598	F591-P619 HydrophobicContact CB-CB 4.2Å; F591-P619 PolarHBondContact N-O 2.94Å; R592-P619 HydrophobicContact CB-CG 4.32Å; R592-P619 HydrophobicContact CG-CG 3.64Å; V598-P619 HydrophobicContact CB-CB 4.43Å; V598-P619 HydrophobicContact CG1-CB 3.83Å; V598-P619 HydrophobicContact CG2-CB 3.81Å
620	E	78.9	Confident	72.9	Confident	62 Å²	62	78.5 Å²	78.5	29%	0.29	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.5	169.6	-69.6	-174.8	-179.7	0	0	108.2	V588 L589 D590 R592 C618	V588-E620 HydrophobicContact CG1-CB 3.97Å; V588-E620 HydrophobicContact CG1-CG 4.29Å; L589-E620 CarbonylContact O-C 3.54Å; L589-E620 WeakPolarHBondContact O-CA 3.4Å; D590-E620 HydrophobicContact CB-CG 4.4Å; R592-E620 IonicContact CZ-OE1 2.69Å; R592-E620 IonicContact NE-OE1 2.98Å; R592-E620 IonicContact NH1-OE1 2.71Å; R592-E620 PolarHBondContact NH1-OE1 3.11Å; R592-E620 VanDerWaalsContact NH1-OE1 3.15Å; R592-E620 IonicContact NH2-OE1 3.07Å; R592-E620 PolarHBondContact NH2-OE1 3.46Å; C618-E620 PolarHBondContact O-N 3.13Å
621	I	79.2	Confident	73.3	Confident	7 Å²	7	78.5 Å²	78.5	4%	0.036	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.2	176.2	-58.2	-178.1	0	0	0	108.5	V588 L589 F591 L610 L616 I623 I633 L635	V588-I621 WeakPolarHBondContact CA-O 3.36Å; L589-I621 HydrophobicContact CB-CB 4.27Å; L589-I621 PolarHBondContact N-O 2.9Å; L589-I621 PolarHBondContact O-N 3.35Å; F591-I621 HydrophobicContact CE2-CD1 4.15Å; L610-I621 HydrophobicContact CD1-CD1 4.19Å; L610-I621 HydrophobicContact CD1-CG1 4.32Å; L610-I621 HydrophobicContact CD1-CG2 4.43Å; L610-I621 HydrophobicContact CD2-CD1 4.03Å; L610-I621 HydrophobicContact CD2-CG2 4Å; L616-I621 HydrophobicContact CD1-CG1 4.18Å; I621-I623 HydrophobicContact CG2-CD1 3.76Å; I621-I623 HydrophobicContact CG2-CG1 4.45Å; I621-I623 PolarHBondContact O-N 3.14Å; I621-I633 HydrophobicContact CD1-CG2 4.39Å; I621-L635 HydrophobicContact CD1-CD1 3.52Å; I621-L635 HydrophobicContact CD1-CD2 3.83Å; I621-L635 HydrophobicContact CD1-CG 4.24Å
622	H	77.4	Confident	74.2	Confident	121 Å²	121	75.7 Å²	75.7	56%	0.56	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.3	174.3	-64.5	-92.6	0	0	0	109.9	V588 V624	V588-H622 WeakPolarHBondContact CG2-ND1 3.11Å; H622-V624 PolarHBondContact O-N 2.72Å
623	I	73.9	Confident	75.2	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	109.5	171	-55.7	-60.8	0	0	0	107.8	M580 T583 N586 F587 L589 I621 I633	M580-I623 HydrophobicContact CE-CG2 3.91Å; M580-I623 HydrophobicContact SD-CG2 4.46Å; T583-I623 HydrophobicContact CG2-CG2 4.03Å; N586-I623 WeakPolarHBondContact CA-O 3.34Å; F587-I623 HydrophobicContact CD1-CB 3.99Å; F587-I623 HydrophobicContact CD1-CG2 4.19Å; F587-I623 HydrophobicContact CE1-CB 3.67Å; F587-I623 HydrophobicContact CE1-CG1 4.09Å; F587-I623 HydrophobicContact CE1-CG2 3.57Å; F587-I623 HydrophobicContact CE2-CB 4.43Å; F587-I623 HydrophobicContact CE2-CG1 4.09Å; F587-I623 HydrophobicContact CG-CB 4.48Å; F587-I623 HydrophobicContact CZ-CB 3.91Å; F587-I623 HydrophobicContact CZ-CG1 3.78Å; F587-I623 HydrophobicContact CZ-CG2 4.04Å; F587-I623 PolarHBondContact N-O 3.14Å; F587-I623 VanDerWaalsContact N-O 3.15Å; F587-I623 PolarHBondContact O-N 3.48Å; L589-I623 HydrophobicContact CD1-CD1 4.39Å; L589-I623 HydrophobicContact CD1-CG1 4.05Å; L589-I623 HydrophobicContact CG-CG1 4.46Å; I621-I623 HydrophobicContact CG2-CD1 3.76Å; I621-I623 HydrophobicContact CG2-CG1 4.45Å; I621-I623 PolarHBondContact O-N 3.14Å; I623-I633 HydrophobicContact CD1-CD1 4.03Å
624	V	67.5	Low	76.2	Confident	83 Å²	83	68.9 Å²	68.9	50%	0.503	34%	0.337	S	S	.	.			trans	-91.8	133.2	179.3	-171.4	0	0	0	0	109.7	H622 R626	H622-V624 PolarHBondContact O-N 2.72Å; V624-R626 PolarHBondContact O-N 3.21Å
625	N	59.1	Low	76.9	Confident	78 Å²	78	65.1 Å²	65.1	42%	0.417	32%	0.317	S	S	.	.	S	Bend	trans	-55.5	115.6	174.6	179.5	10.9	0	0	0	110	N586	N586-N625 WeakPolarHBondContact OD1-CA 3.44Å; N586-N625 WeakPolarHBondContact OD1-CB 3.4Å; N586-N625 PolarHBondContact OD1-N 2.82Å
626	R	53.2	Low	77.6	Confident	236 Å²	236	61.4 Å²	61.4	89%	0.891	30%	0.3	S	S	*	.			trans	176.5	7.4	155.3	-103.5	172.2	-167.8	-149.4	4.4	114.9	V624	V624-R626 PolarHBondContact O-N 3.21Å
627	T	54.2	Low	78.3	Confident	45 Å²	45	60.1 Å²	60.1	28%	0.276	29%	0.294	S	S	.	.			trans	-114.8	104	-179.9	57.2	0	0	0	0	111.1	S629 Q631	T627-S629 WeakPolarHBondContact CB-OG 3.43Å; T627-S629 PolarHBondContact O-N 3.19Å; T627-Q631 PolarHBondContact OG1-NE2 2.9Å
628	L	59.9	Low	78.9	Confident	164 Å²	164	54.6 Å²	54.6	86%	0.859	28%	0.281	S	S	*	.			trans	-70.6	24.8	160.8	-71.5	170.9	0	0	0	111.8
629	S	74.6	Confident	79.1	Confident	47 Å²	47	52.8 Å²	52.8	33%	0.329	26%	0.264	S	S	.	.	S	Bend	trans	-118.8	149.7	-173.5	67.7	0	0	0	0	110.6	R581 T627	R581-S629 CarbonylContact O-C 3.56Å; R581-S629 VanDerWaalsContact O-O 3.13Å; T627-S629 WeakPolarHBondContact CB-OG 3.43Å; T627-S629 PolarHBondContact O-N 3.19Å
630	N	84.9	Confident	79.2	Confident	42 Å²	42	55.5 Å²	55.5	23%	0.225	28%	0.278	C	S	.	.			trans	-51	141.1	169.5	-61.5	-28.2	0	0	0	110.1	V425 L426 M580 R581 P605	V425-N630 HydrophobicContact CG2-CB 3.98Å; V425-N630 VanDerWaalsContact CG2-ND2 3.29Å; V425-N630 WeakPolarHBondContact CG2-ND2 3.46Å; L426-N630 HydrophobicContact CD1-CB 4.2Å; L426-N630 WeakPolarHBondContact CD1-OD1 3.46Å; L426-N630 HydrophobicContact CD2-CB 3.97Å; L426-N630 HydrophobicContact CG-CB 3.89Å; M580-N630 CarbonylContact O-C 3.59Å; M580-N630 VanDerWaalsContact O-CA 3.27Å; M580-N630 WeakPolarHBondContact O-CA 3.39Å; R581-N630 WeakPolarHBondContact CG-OD1 3.3Å; R581-N630 WeakPolarHBondContact O-CA 3.18Å; R581-N630 PolarHBondContact O-N 2.53Å; R581-N630 PolarHBondContact O-OD1 3.24Å; P605-N630 WeakPolarHBondContact CD-O 3.38Å
631	Q	87.4	Confident	79.2	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.1	169.2	-64	-172.4	3.7	0	0	109.8	M580 Y604 I607 T627	M580-Q631 HydrophobicContact CB-CB 4.27Å; M580-Q631 HydrophobicContact CE-CB 3.7Å; M580-Q631 HydrophobicContact CE-CG 3.64Å; M580-Q631 PolarHBondContact N-O 3.14Å; M580-Q631 PolarHBondContact O-N 2.64Å; Y604-Q631 CarbonylContact O-C 3.59Å; Y604-Q631 VanDerWaalsContact O-CA 3.29Å; Y604-Q631 WeakPolarHBondContact O-CA 3.41Å; I607-Q631 VanDerWaalsContact CD1-OE1 3.31Å; T627-Q631 PolarHBondContact OG1-NE2 2.9Å
632	I	92.5	Very high	79.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121	174.7	-58.9	157.9	0	0	0	106	L426 A429 L530 V578 L579 L602 V603 Y604	L426-I632 HydrophobicContact CD2-CD1 4.41Å; L426-I632 HydrophobicContact CD2-CG1 3.73Å; A429-I632 HydrophobicContact CB-CD1 3.56Å; A429-I632 HydrophobicContact CB-CG1 4Å; A429-I632 HydrophobicContact CB-CG2 4.06Å; L530-I632 HydrophobicContact CD1-CD1 3.95Å; L530-I632 HydrophobicContact CD2-CD1 3.68Å; L530-I632 HydrophobicContact CG-CD1 4.46Å; V578-I632 WeakPolarHBondContact O-CA 3.33Å; L579-I632 HydrophobicContact CD2-CB 4.42Å; L579-I632 HydrophobicContact CD2-CG1 4.15Å; L579-I632 HydrophobicContact CD2-CG2 3.89Å; L602-I632 HydrophobicContact CD2-CB 4.14Å; L602-I632 HydrophobicContact CD2-CG2 3.62Å; V603-I632 CarbonylContact C-O 3.6Å; V603-I632 VanDerWaalsContact CA-O 3.3Å; V603-I632 WeakPolarHBondContact CA-O 3.27Å; Y604-I632 HydrophobicContact CD1-CD1 3.93Å; Y604-I632 PolarHBondContact N-O 3.25Å; Y604-I632 PolarHBondContact O-N 2.88Å
633	I	92.5	Very high	79.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	177.1	-54	169.6	0	0	0	107.7	I577 V578 L602 V603 I607 L610 I621 I623 L635	I577-I633 CarbonylContact C-O 3.46Å; I577-I633 WeakPolarHBondContact CA-O 3.2Å; V578-I633 HydrophobicContact CB-CB 4.08Å; V578-I633 HydrophobicContact CG2-CB 4.42Å; V578-I633 PolarHBondContact N-O 3.03Å; V578-I633 PolarHBondContact O-N 3.27Å; L602-I633 CarbonylContact O-C 3.56Å; L602-I633 WeakPolarHBondContact O-CA 3.32Å; V603-I633 HydrophobicContact CG1-CG1 4.5Å; V603-I633 HydrophobicContact CG2-CG2 4.35Å; I607-I633 HydrophobicContact CD1-CD1 4.15Å; L610-I633 HydrophobicContact CD2-CD1 4.09Å; L610-I633 HydrophobicContact CD2-CG1 4.44Å; L610-I633 HydrophobicContact CD2-CG2 3.99Å; I621-I633 HydrophobicContact CD1-CG2 4.39Å; I623-I633 HydrophobicContact CD1-CD1 4.03Å; I633-L635 HydrophobicContact CG2-CD2 3.67Å; I633-L635 HydrophobicContact CG2-CG 3.98Å
634	V	95.4	Very high	79.7	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.4	172.3	-174.1	0	0	0	0	108.2	L433 L537 F543 F575 R601 L602	L433-V634 HydrophobicContact CD1-CG2 3.75Å; L433-V634 HydrophobicContact CD2-CG2 4.31Å; L537-V634 HydrophobicContact CD1-CB 4.13Å; L537-V634 HydrophobicContact CD1-CG1 4.08Å; L537-V634 HydrophobicContact CD1-CG2 4.06Å; L537-V634 HydrophobicContact CD2-CG1 4.49Å; F543-V634 HydrophobicContact CZ-CG1 4.09Å; F575-V634 HydrophobicContact CD1-CG1 4Å; R601-V634 WeakPolarHBondContact CA-O 3.42Å; R601-V634 PolarHBondContact N-O 3.02Å; L602-V634 HydrophobicContact CB-CB 3.97Å; L602-V634 HydrophobicContact CB-CG2 4.08Å; L602-V634 HydrophobicContact CD2-CG2 4.34Å; L602-V634 PolarHBondContact N-O 3.1Å; L602-V634 VanDerWaalsContact N-O 3.14Å; L602-V634 PolarHBondContact O-N 2.83Å
635	L	95.1	Very high	80.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.7	178.6	-49.8	173	0	0	0	108.8	F575 V576 F591 V598 S599 V600 I621 I633	F575-L635 CarbonylContact C-O 3.55Å; F575-L635 WeakPolarHBondContact CA-O 3.38Å; F575-L635 WeakPolarHBondContact CD1-O 3.45Å; V576-L635 HydrophobicContact CB-CB 4.26Å; V576-L635 HydrophobicContact CB-CD1 4.46Å; V576-L635 PolarHBondContact N-O 2.99Å; V576-L635 PolarHBondContact O-N 2.74Å; F591-L635 HydrophobicContact CD2-CD1 3.61Å; F591-L635 HydrophobicContact CE2-CD1 3.46Å; F591-L635 VanDerWaalsContact CE2-CD1 3.46Å; F591-L635 HydrophobicContact CZ-CD1 4.45Å; V598-L635 HydrophobicContact CB-CB 4.29Å; V598-L635 HydrophobicContact CG1-CB 4.44Å; V598-L635 HydrophobicContact CG2-CD1 4.49Å; S599-L635 CarbonylContact O-C 3.57Å; S599-L635 WeakPolarHBondContact O-CA 3.19Å; V600-L635 HydrophobicContact CB-CD2 4.34Å; V600-L635 HydrophobicContact CG1-CD2 4.37Å; V600-L635 HydrophobicContact CG2-CD2 3.96Å; I621-L635 HydrophobicContact CD1-CD1 3.52Å; I621-L635 HydrophobicContact CD1-CD2 3.83Å; I621-L635 HydrophobicContact CD1-CG 4.24Å; I633-L635 HydrophobicContact CG2-CD2 3.67Å; I633-L635 HydrophobicContact CG2-CG 3.98Å
636	Q	95.3	Very high	82.2	Confident	39 Å²	39	53.7 Å²	53.7	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.1	170.1	-178.5	-177.4	-51.7	0	0	107.9	P573 F575 V598 S599 R601	P573-Q636 HydrophobicContact CB-CG 3.68Å; F575-Q636 HydrophobicContact CD1-CB 3.94Å; F575-Q636 HydrophobicContact CD1-CG 4.36Å; F575-Q636 HydrophobicContact CE1-CB 3.71Å; F575-Q636 HydrophobicContact CE1-CG 3.9Å; F575-Q636 HydrophobicContact CE2-CG 4.49Å; F575-Q636 HydrophobicContact CZ-CB 4.3Å; F575-Q636 HydrophobicContact CZ-CG 3.96Å; V598-Q636 CarbonylContact C-O 3.48Å; V598-Q636 VanDerWaalsContact CA-O 3.24Å; V598-Q636 WeakPolarHBondContact CA-O 3.24Å; S599-Q636 PolarHBondContact N-O 3.2Å; S599-Q636 PolarHBondContact O-N 3.14Å; R601-Q636 HydrophobicContact CG-CB 3.66Å
637	C	94	Very high	84.6	Confident	15 Å²	15	38.5 Å²	38.5	10%	0.101	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.4	167.8	-55.9	0	0	0	0	108.8	T574 C595	T574-C637 PolarHBondContact O-N 2.65Å; C595-C637 HydrophobicContact CB-CB 3.55Å; C595-C637 WeakPolarHBondContact CB-SG 3.5Å; C595-C637 WeakPolarHBondContact SG-CB 3.2Å; C595-C637 CovalentContact SG-SG 2.03Å; C595-C637 PolarHBondContact SG-SG 3.12Å
638	N	89.5	Confident	87.4	Confident	99 Å²	99	37.9 Å²	37.9	53%	0.529	21%	0.207	S	C	.	.			trans	-88.4	0	175.5	-64.6	-15.7	0	0	0	112.2	S597 S599 E615	S597-N638 PolarHBondContact O-N 2.89Å; S597-N638 WeakPolarHBondContact OG-CB 3.3Å; S599-N638 WeakPolarHBondContact CB-OD1 3.16Å; S599-N638 VanDerWaalsContact OG-CG 3.27Å; S599-N638 PolarHBondContact OG-ND2 2.77Å; S599-N638 PolarHBondContact OG-OD1 3.38Å; E615-N638 VanDerWaalsContact CD-ND2 3.31Å; E615-N638 WeakPolarHBondContact CG-ND2 3.27Å; E615-N638 PolarHBondContact OE1-ND2 3.2Å

Retrieved 638 of 638 residues in 1498.4 ms (Link to these results)

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