A0A087XVJ2_POEFO Loading...

GRAM domain containing 1C

AlphaFold DB , UniProt , Accession A0A087XVJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 657 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	30.7	Very low	29.9	Very low	235 Å²	235	140.6 Å²	140.6	100%	1.158	80%	0.796	S	S	*	*				0	141	0	-131.8	154.5	179.9	0	0	107
2	D	32.1	Very low	29.8	Very low	121 Å²	121	138.8 Å²	138.8	65%	0.647	80%	0.799	S	S	*	*			trans	-22.3	122.7	-173	-61.7	-90.4	0	0	0	118.1
3	Q	31.6	Very low	29.9	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	80%	0.8	S	S	*	*				83.9	149	95.5	-72.7	-169.9	82.5	0	0	113.1
4	L	33	Very low	29.8	Very low	142 Å²	142	141.2 Å²	141.2	74%	0.743	80%	0.804	S	S	*	*			cis	-158.5	161.6	14.6	-133.3	162.3	0	0	0	111.9
5	S	31.9	Very low	30	Very low	89 Å²	89	141.3 Å²	141.3	62%	0.622	80%	0.799	S	S	*	*			trans	86	109.4	146.3	-147.2	0	0	0	0	122.5
6	N	28.9	Very low	30.1	Very low	158 Å²	158	141.8 Å²	141.8	85%	0.845	81%	0.806	S	S	*	*			trans	52.2	128.5	132.4	-62.9	-3.9	0	0	0	123.6
7	R	28.1	Very low	29.9	Very low	249 Å²	249	142.6 Å²	142.6	94%	0.94	81%	0.808	S	S	*	*			trans	-137.3	157.7	149.5	-163.6	173.1	-177	-169.3	0.8	110.4
8	S	28.8	Very low	29.8	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	80%	0.803	S	S	*	*			trans	-85.1	153.8	-169.6	55.7	0	0	0	0	116.6
9	G	26.8	Very low	29.7	Very low	64 Å²	64	142 Å²	142	66%	0.66	80%	0.799	S	S	*	*				131.3	144.6	130	0	0	0	0	0	118
10	V	29.3	Very low	29.6	Very low	153 Å²	153	139 Å²	139	93%	0.927	80%	0.802	S	S	*	*			trans	67.8	140.9	167.7	-166.6	0	0	0	0	114.4
11	G	27.8	Very low	29.3	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	80%	0.803	S	S	*	*			cis	132.9	123.6	-2.6	0	0	0	0	0	111.4
12	S	29.3	Very low	29.2	Very low	119 Å²	119	134 Å²	134	83%	0.832	79%	0.785	S	S	*	*			trans	-162.9	151.5	173.3	-168.1	0	0	0	0	111.2
13	D	30.5	Very low	28.9	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	80%	0.796	S	S	*	*			trans	-80.3	165.2	173	-42.5	-90.1	0	0	0	112.2
14	D	29	Very low	28.6	Very low	160 Å²	160	135.3 Å²	135.3	86%	0.856	80%	0.796	S	S	*	*				-160.2	171.2	121.4	-141.8	-22.3	0	0	0	112.4
15	I	32.2	Very low	28.2	Very low	143 Å²	143	135.4 Å²	135.4	73%	0.733	80%	0.803	S	S	*	*			trans	-126.9	137.2	-173.4	-62.5	155.9	0	0	0	110.3
16	T	31.3	Very low	27.8	Very low	148 Å²	148	139.3 Å²	139.3	91%	0.908	81%	0.811	S	S	*	*			trans	-173.4	172.2	136.9	16.5	0	0	0	0	112.1
17	D	26.7	Very low	27.6	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	81%	0.811	S	S	*	*			trans	-125.4	-167.3	-164	-150.6	-24.2	0	0	0	111.1
18	E	29.2	Very low	27.3	Very low	154 Å²	154	133.2 Å²	133.2	72%	0.72	81%	0.806	S	S	*	*			trans	92.9	131.8	157.8	-76.2	-83.8	72.3	0	0	122.5
19	T	27.2	Very low	27.1	Very low	119 Å²	119	132.2 Å²	132.2	73%	0.73	80%	0.798	S	S	*	*			trans	58.7	113.3	150.4	55.1	0	0	0	0	122.4
20	G	27.7	Very low	27.1	Very low	82 Å²	82	136.3 Å²	136.3	85%	0.845	81%	0.805	S	S	*	*			trans	-87.3	-164.5	167.8	0	0	0	0	0	116.7
21	S	23.8	Very low	27.1	Very low	120 Å²	120	137.8 Å²	137.8	84%	0.839	80%	0.802	S	S	*	*			trans	-147.5	148.1	167.8	-173	0	0	0	0	111
22	L	28.3	Very low	27	Very low	148 Å²	148	141 Å²	141	78%	0.775	80%	0.803	S	S	*	*			trans	-65.1	154.7	156.8	-90.6	147	0	0	0	110.5
23	L	26.2	Very low	26.8	Very low	166 Å²	166	141 Å²	141	87%	0.869	80%	0.803	S	S	*	*			trans	-155.3	134.5	147.1	-105.3	177.6	0	0	0	109.6
24	D	24.2	Very low	26.7	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	80%	0.797	S	S	*	*			trans	-75.7	155	175.5	-59.7	-81.6	0	0	0	112.3
25	V	25.7	Very low	26.6	Very low	145 Å²	145	138.6 Å²	138.6	88%	0.879	80%	0.798	S	S	*	*			trans	-131	121.5	159.1	-179.1	0	0	0	0	109
26	Q	23.1	Very low	26.5	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	79%	0.794	S	S	*	*			trans	-65.9	156.7	-176.8	-152.9	92.4	-40	0	0	112.2
27	L	25.2	Very low	26.4	Very low	163 Å²	163	137.2 Å²	137.2	85%	0.853	80%	0.796	S	S	*	*			trans	-73.4	141.8	156	-76.2	87.6	0	0	0	110.1
28	S	21.3	Very low	26.5	Very low	117 Å²	117	132.4 Å²	132.4	82%	0.818	78%	0.784	S	S	*	*			trans	-135.9	130.1	158.5	57.4	0	0	0	0	108.8
29	S	24.8	Very low	26.7	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	79%	0.791	S	S	*	*			trans	-92.6	176.3	176.2	-52.9	0	0	0	0	111
30	D	25.9	Very low	26.7	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	80%	0.797	S	S	*	*			trans	73.4	138.6	155.4	-45	-34	0	0	0	115.4
31	E	29.6	Very low	26.8	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	80%	0.8	S	S	*	*			cis	-137.8	175.6	3.6	-72.8	-165.7	119.9	0	0	113.3
32	D	25.9	Very low	27.2	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	80%	0.797	S	S	*	*			trans	-5.2	142.2	163.7	-96.8	-47.1	0	0	0	122.7
33	S	25.1	Very low	27.4	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	80%	0.796	S	S	*	*				-146.4	132.6	122.2	48.1	0	0	0	0	110.2
34	S	27.9	Very low	27.8	Very low	97 Å²	97	131 Å²	131	68%	0.678	79%	0.788	S	S	*	*			trans	-109	171.6	-177.5	-80.2	0	0	0	0	112.3
35	D	26.7	Very low	28.1	Very low	163 Å²	163	132.8 Å²	132.8	87%	0.872	79%	0.792	S	S	*	*			trans	85.3	141.4	179.3	-65.4	-17.9	0	0	0	118.2
36	A	30	Very low	28.6	Very low	80 Å²	80	127.6 Å²	127.6	66%	0.661	76%	0.762	S	S	*	*			cis	-169.7	132	-24.9	0	0	0	0	0	108.6
37	L	29.2	Very low	29.5	Very low	182 Å²	182	124.9 Å²	124.9	95%	0.953	76%	0.759	S	S	*	*			trans	-179.4	120.2	156.3	-107	162.7	0	0	0	113.8
38	G	30.7	Very low	30.9	Very low	57 Å²	57	123.2 Å²	123.2	59%	0.588	75%	0.751	S	S	*	*			trans	80.4	123.1	151.5	0	0	0	0	0	118.8	C40	G38-C40 PolarHBondContact O-N 2.98Å
39	P	32.6	Very low	33.1	Very low	133 Å²	133	120.1 Å²	120.1	86%	0.864	73%	0.728	S	S	*	*			trans	-78.1	91.5	174.9	32.1	-33.9	0	0	0	111.7	L41	P39-L41 PolarHBondContact O-N 3.08Å
40	C	26.7	Very low	35.7	Very low	125 Å²	125	117.3 Å²	117.3	85%	0.845	71%	0.708	S	S	*	*			trans	-67.8	124.6	167	-71.4	0	0	0	0	110.2	G38 A42	G38-C40 PolarHBondContact O-N 2.98Å; C40-A42 PolarHBondContact O-N 3.33Å
41	L	30.4	Very low	38.6	Very low	175 Å²	175	110.1 Å²	110.1	92%	0.916	67%	0.669	S	S	*	*			trans	-62.6	108.2	179.5	-71.5	168.4	0	0	0	110.7	P39 V43	P39-L41 PolarHBondContact O-N 3.08Å; L41-V43 PolarHBondContact O-N 2.8Å
42	A	32.5	Very low	41.2	Very low	94 Å²	94	103.5 Å²	103.5	78%	0.777	64%	0.638	S	S	*	*			trans	-65.4	127.3	179.2	0	0	0	0	0	111.1	C40	C40-A42 PolarHBondContact O-N 3.33Å
43	V	32.5	Very low	44	Very low	124 Å²	124	102 Å²	102	75%	0.752	63%	0.627	S	S	*	*			trans	-65.9	127.8	170.8	177.8	0	0	0	0	108.6	L41 Q45	L41-V43 PolarHBondContact O-N 2.8Å; V43-Q45 PolarHBondContact O-N 2.9Å
44	P	33.3	Very low	47	Very low	109 Å²	109	97.2 Å²	97.2	71%	0.708	59%	0.59	S	S	*	*			trans	-62.2	110.3	174.4	-21.4	33	0	0	0	110.1	S46	P44-S46 PolarHBondContact O-N 3.39Å
45	Q	31	Very low	49.9	Very low	174 Å²	174	94 Å²	94	81%	0.813	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-70.4	123.7	168.4	-64.5	-162.9	18.8	0	0	108.2	V43	V43-Q45 PolarHBondContact O-N 2.9Å
46	S	35.4	Very low	52.8	Low	36 Å²	36	91.7 Å²	91.7	25%	0.252	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-61	136.5	172.9	63.7	0	0	0	0	109.2	P44 L48 L587	P44-S46 PolarHBondContact O-N 3.39Å; S46-L48 PolarHBondContact O-N 3.38Å; S46-L587 WeakPolarHBondContact OG-CD2 3.22Å
47	P	42.7	Very low	55.7	Low	113 Å²	113	89.3 Å²	89.3	73%	0.734	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-51.6	135.4	-179.6	-27.6	34.2	0	0	0	111.8
48	L	54.4	Low	58.6	Low	129 Å²	129	80.8 Å²	80.8	68%	0.675	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-58.6	134.4	164.3	-85	83.3	0	0	0	107.6	S46 S50	S46-L48 PolarHBondContact O-N 3.38Å; L48-S50 PolarHBondContact O-N 3.27Å
49	P	67.4	Low	61.4	Low	52 Å²	52	82.2 Å²	82.2	34%	0.338	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-59.6	122.8	172.8	25.1	-34	0	0	0	109
50	S	80.3	Confident	64.1	Low	30 Å²	30	83.9 Å²	83.9	21%	0.21	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-61.3	156.2	-173.1	62.6	0	0	0	0	111.9	L48 K52 Q53 R54	L48-S50 PolarHBondContact O-N 3.27Å; S50-K52 PolarHBondContact O-N 3.35Å; S50-Q53 WeakPolarHBondContact O-CB 3.25Å; S50-Q53 PolarHBondContact O-N 2.86Å; S50-R54 PolarHBondContact O-N 2.85Å
51	Y	85.7	Confident	67.1	Low	1 Å²	1	78.8 Å²	78.8	0%	0.004	42%	0.424	C	S	.	.	H	α-helix	trans	-50.5	-43.4	179.5	169.5	-107.2	0	0	0	112.1	Q53 R54 V55 L71 I177 Y181 L185 L187 L195	Y51-Q53 PolarHBondContact O-N 2.89Å; Y51-R54 WeakPolarHBondContact O-CA 3.43Å; Y51-R54 WeakPolarHBondContact O-CB 3.32Å; Y51-R54 PolarHBondContact O-N 3.43Å; Y51-V55 HydrophobicContact CD1-CG2 4.19Å; Y51-V55 HydrophobicContact CD2-CG2 4.24Å; Y51-V55 HydrophobicContact CE1-CG2 3.69Å; Y51-V55 HydrophobicContact CE2-CG2 3.75Å; Y51-V55 HydrophobicContact CG-CG2 4.45Å; Y51-V55 VanDerWaalsContact CZ-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 2.83Å; Y51-L71 VanDerWaalsContact CE2-O 3.29Å; Y51-L71 WeakPolarHBondContact CE2-O 3.37Å; Y51-L71 PolarHBondContact OH-O 3.34Å; Y51-I177 HydrophobicContact CD1-CG2 4.26Å; Y51-I177 HydrophobicContact CD2-CG2 3.8Å; Y51-I177 HydrophobicContact CE1-CD1 4.49Å; Y51-I177 HydrophobicContact CE1-CG2 4.38Å; Y51-I177 HydrophobicContact CE2-CD1 4.11Å; Y51-I177 HydrophobicContact CE2-CG1 4.16Å; Y51-I177 HydrophobicContact CE2-CG2 3.92Å; Y51-I177 HydrophobicContact CG-CG2 3.97Å; Y51-Y181 AromaticContact CD2-CD2 3.77Å; Y51-Y181 HydrophobicContact CD2-CD2 3.77Å; Y51-Y181 AromaticContact CD2-CE2 3.54Å; Y51-Y181 HydrophobicContact CD2-CE2 3.54Å; Y51-Y181 HydrophobicContact CD2-CG 4.37Å; Y51-Y181 AromaticContact CD2-CZ 3.96Å; Y51-Y181 HydrophobicContact CE2-CE2 4.17Å; Y51-Y181 HydrophobicContact CG-CD2 4.39Å; Y51-L185 HydrophobicContact CD1-CB 4.3Å; Y51-L185 HydrophobicContact CG-CD2 4.41Å; Y51-L185 PolarHBondContact N-O 3.49Å; Y51-L187 HydrophobicContact CD1-CD1 3.84Å; Y51-L187 HydrophobicContact CD1-CD2 4.29Å; Y51-L187 HydrophobicContact CD1-CG 4.18Å; Y51-L187 HydrophobicContact CE1-CD1 3.94Å; Y51-L195 HydrophobicContact CE1-CD1 4.16Å
52	K	84.3	Confident	69.9	Low	44 Å²	44	70.7 Å²	70.7	19%	0.191	38%	0.381	C	S	.	.	H	α-helix	trans	-50	-50.4	173.6	-176.8	168.2	-175.6	162.5	0	113.8	S50 R54 V55 E56 L185 G186 L187 E191	S50-K52 PolarHBondContact O-N 3.35Å; K52-R54 PolarHBondContact O-N 2.9Å; K52-R54 VanDerWaalsContact O-N 3.14Å; K52-V55 PolarHBondContact O-N 3.3Å; K52-E56 WeakPolarHBondContact CE-OE1 3.39Å; K52-E56 WeakPolarHBondContact CG-OE1 3.47Å; K52-E56 PolarHBondContact O-N 2.98Å; K52-L185 PolarHBondContact N-O 2.91Å; K52-G186 WeakPolarHBondContact CD-O 3.3Å; K52-L187 HydrophobicContact CB-CD2 3.9Å; K52-L187 HydrophobicContact CD-CD2 4.38Å; K52-L187 HydrophobicContact CG-CD2 4.22Å; K52-E191 VanDerWaalsContact CE-OE1 3.29Å; K52-E191 WeakPolarHBondContact CE-OE1 3.48Å; K52-E191 IonicContact NZ-OE1 3.37Å; K52-E191 PolarHBondContact NZ-OE1 3.35Å; K52-E191 IonicContact NZ-OE2 2.77Å; K52-E191 PolarHBondContact NZ-OE2 2.88Å
53	Q	85.5	Confident	72.4	Confident	105 Å²	105	74.2 Å²	74.2	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-25.4	179.3	-66.1	176.5	0	0	0	112.3	S50 Y51 E57	S50-Q53 WeakPolarHBondContact O-CB 3.25Å; S50-Q53 PolarHBondContact O-N 2.86Å; Y51-Q53 PolarHBondContact O-N 2.89Å; Q53-E57 WeakPolarHBondContact O-CB 3.49Å; Q53-E57 PolarHBondContact O-N 2.8Å
54	R	88.3	Confident	74.8	Confident	19 Å²	19	74.7 Å²	74.7	7%	0.072	37%	0.373	C	S	.	.	H	α-helix	trans	-85.8	-33.9	178.3	-53.3	-41.1	-148.7	80.1	47.7	113.2	S50 Y51 K52 E56 E57 F58 L71 D74 R88 Y181	S50-R54 PolarHBondContact O-N 2.85Å; Y51-R54 WeakPolarHBondContact O-CA 3.43Å; Y51-R54 WeakPolarHBondContact O-CB 3.32Å; Y51-R54 PolarHBondContact O-N 3.43Å; K52-R54 PolarHBondContact O-N 2.9Å; K52-R54 VanDerWaalsContact O-N 3.14Å; R54-E56 VanDerWaalsContact C-N 3.32Å; R54-E57 IonicContact CZ-OE2 2.86Å; R54-E57 IonicContact NH1-OE2 3.14Å; R54-E57 PolarHBondContact NH1-OE2 3.43Å; R54-E57 PolarHBondContact O-N 2.91Å; R54-F58 WeakPolarHBondContact O-CB 3.38Å; R54-F58 PolarHBondContact O-N 2.81Å; R54-L71 HydrophobicContact CB-CD2 3.8Å; R54-L71 WeakPolarHBondContact O-CD2 3.06Å; R54-D74 IonicContact CZ-OD1 2.67Å; R54-D74 IonicContact CZ-OD2 2.91Å; R54-D74 IonicContact NH1-OD2 3.25Å; R54-D74 PolarHBondContact NH1-OD2 2.94Å; R54-D74 VanDerWaalsContact NH2-CG 3.3Å; R54-D74 IonicContact NH2-OD1 3.09Å; R54-D74 PolarHBondContact NH2-OD1 2.94Å; R54-D74 IonicContact NH2-OD2 3.26Å; R54-D74 PolarHBondContact NH2-OD2 2.64Å; R54-R88 VanDerWaalsContact NH2-CZ 3.32Å; R54-R88 VanDerWaalsContact NH2-NH2 3.1Å; R54-Y181 HydrophobicContact CG-CE1 4.26Å
55	V	88.5	Confident	77.4	Confident	30 Å²	30	70.6 Å²	70.6	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-61	-44.5	167.9	178.8	0	0	0	0	110.1	Y51 K52 F58 K59 L71	Y51-V55 HydrophobicContact CD1-CG2 4.19Å; Y51-V55 HydrophobicContact CD2-CG2 4.24Å; Y51-V55 HydrophobicContact CE1-CG2 3.69Å; Y51-V55 HydrophobicContact CE2-CG2 3.75Å; Y51-V55 HydrophobicContact CG-CG2 4.45Å; Y51-V55 VanDerWaalsContact CZ-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 2.83Å; K52-V55 PolarHBondContact O-N 3.3Å; V55-F58 PolarHBondContact O-N 2.91Å; V55-K59 PolarHBondContact O-N 2.62Å; V55-L71 HydrophobicContact CG2-CB 4.38Å; V55-L71 HydrophobicContact CG2-CD2 4.46Å
56	E	88.1	Confident	79.9	Confident	113 Å²	113	65.6 Å²	65.6	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.3	-70.6	174.4	-154.7	0	0	112.5	K52 R54 R60	K52-E56 WeakPolarHBondContact CE-OE1 3.39Å; K52-E56 WeakPolarHBondContact CG-OE1 3.47Å; K52-E56 PolarHBondContact O-N 2.98Å; R54-E56 VanDerWaalsContact C-N 3.32Å; E56-R60 WeakPolarHBondContact O-CB 3.29Å; E56-R60 PolarHBondContact O-N 3.18Å
57	E	89.4	Confident	81.9	Confident	30 Å²	30	70 Å²	70	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-59.9	-46.8	175.1	-174	-179.9	-149	0	0	111.4	Q53 R54 R60 L61 Y90 Y101	Q53-E57 WeakPolarHBondContact O-CB 3.49Å; Q53-E57 PolarHBondContact O-N 2.8Å; R54-E57 IonicContact CZ-OE2 2.86Å; R54-E57 IonicContact NH1-OE2 3.14Å; R54-E57 PolarHBondContact NH1-OE2 3.43Å; R54-E57 PolarHBondContact O-N 2.91Å; E57-R60 PolarHBondContact O-N 2.8Å; E57-L61 HydrophobicContact CG-CD1 3.86Å; E57-L61 HydrophobicContact CG-CG 4.49Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 VanDerWaalsContact O-CG 3.24Å; E57-L61 WeakPolarHBondContact O-CG 3.38Å; E57-L61 PolarHBondContact O-N 3.03Å; E57-Y90 PolarHBondContact OE1-OH 2.63Å; E57-Y90 PolarHBondContact OE2-OH 3.01Å; E57-Y101 PolarHBondContact OE1-OH 3.17Å; E57-Y101 VanDerWaalsContact OE1-OH 3.1Å
58	F	90.7	Very high	83.6	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-55.4	179.1	174.7	-106.1	0	0	0	112	R54 V55 R60 L61 F62 L65 L71 Y90 C97	R54-F58 WeakPolarHBondContact O-CB 3.38Å; R54-F58 PolarHBondContact O-N 2.81Å; V55-F58 PolarHBondContact O-N 2.91Å; F58-R60 VanDerWaalsContact C-N 3.26Å; F58-R60 PolarHBondContact O-N 3.38Å; F58-L61 PolarHBondContact O-N 3.49Å; F58-L61 VanDerWaalsContact O-N 3.07Å; F58-F62 AromaticContact CD2-CD2 3.51Å; F58-F62 HydrophobicContact CD2-CD2 3.51Å; F58-F62 HydrophobicContact CD2-CE2 4.01Å; F58-F62 HydrophobicContact CD2-CG 4.47Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CE2 4.4Å; F58-F62 HydrophobicContact CE2-CG 4.42Å; F58-F62 HydrophobicContact CG-CD2 4.33Å; F58-F62 WeakPolarHBondContact O-CD2 3.43Å; F58-F62 PolarHBondContact O-N 3.23Å; F58-L65 HydrophobicContact CE1-CD1 4.23Å; F58-L65 HydrophobicContact CE2-CD1 3.98Å; F58-L65 HydrophobicContact CZ-CD1 3.46Å; F58-L65 VanDerWaalsContact CZ-CD1 3.46Å; F58-L71 HydrophobicContact CB-CD2 4.11Å; F58-L71 HydrophobicContact CD1-CB 4.03Å; F58-L71 HydrophobicContact CD2-CD1 4.17Å; F58-L71 HydrophobicContact CE1-CB 4.42Å; F58-L71 HydrophobicContact CG-CB 4.26Å; F58-L71 HydrophobicContact CG-CD1 4.28Å; F58-Y90 HydrophobicContact CB-CD1 4.13Å; F58-Y90 HydrophobicContact CB-CE1 4.45Å; F58-Y90 AromaticContact CD2-CD1 3.96Å; F58-Y90 HydrophobicContact CD2-CD1 3.96Å; F58-Y90 AromaticContact CD2-CG 3.9Å; F58-Y90 HydrophobicContact CD2-CG 3.9Å; F58-Y90 HydrophobicContact CG-CD1 4.48Å; F58-C97 HydrophobicContact CE2-CB 4.3Å
59	K	89.3	Confident	85.1	Confident	86 Å²	86	61.2 Å²	61.2	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-32.7	178.6	-72.5	-158.4	166.9	-144.2	0	112.5	V55 K63 D67	V55-K59 PolarHBondContact O-N 2.62Å; K59-K63 WeakPolarHBondContact O-CG 3.5Å; K59-D67 PolarHBondContact NZ-O 3Å; K59-D67 IonicContact NZ-OD1 2.74Å; K59-D67 PolarHBondContact NZ-OD1 3.08Å; K59-D67 VanDerWaalsContact NZ-OD1 3.09Å
60	R	89.6	Confident	85.9	Confident	169 Å²	169	59 Å²	59	64%	0.638	29%	0.285	S	S	*	.	H	α-helix	trans	-68.7	-37.1	174.1	-176.8	-175.9	64.8	174.2	-2.5	112.9	E56 E57 F58	E56-R60 WeakPolarHBondContact O-CB 3.29Å; E56-R60 PolarHBondContact O-N 3.18Å; E57-R60 PolarHBondContact O-N 2.8Å; F58-R60 VanDerWaalsContact C-N 3.26Å; F58-R60 PolarHBondContact O-N 3.38Å
61	L	89.1	Confident	86.4	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-80	-42	-178.8	-72.7	172.8	0	0	0	112.7	E57 F58 Y90 Y99 K107	E57-L61 HydrophobicContact CG-CD1 3.86Å; E57-L61 HydrophobicContact CG-CG 4.49Å; E57-L61 WeakPolarHBondContact O-CB 3.33Å; E57-L61 VanDerWaalsContact O-CG 3.24Å; E57-L61 WeakPolarHBondContact O-CG 3.38Å; E57-L61 PolarHBondContact O-N 3.03Å; F58-L61 PolarHBondContact O-N 3.49Å; F58-L61 VanDerWaalsContact O-N 3.07Å; L61-Y90 HydrophobicContact CD1-CE2 4.3Å; L61-Y99 HydrophobicContact CD1-CD1 3.59Å; L61-Y99 HydrophobicContact CD1-CE1 4.18Å; L61-Y99 HydrophobicContact CD1-CG 3.85Å; L61-Y99 HydrophobicContact CD2-CD1 3.8Å; L61-Y99 HydrophobicContact CD2-CD2 4.03Å; L61-Y99 HydrophobicContact CD2-CE1 3.63Å; L61-Y99 HydrophobicContact CD2-CE2 3.86Å; L61-Y99 HydrophobicContact CD2-CG 3.98Å; L61-Y99 HydrophobicContact CG-CD1 4.36Å; L61-Y99 HydrophobicContact CG-CG 4.49Å; L61-K107 WeakPolarHBondContact O-CE 3.49Å; L61-K107 PolarHBondContact O-NZ 3.45Å
62	F	90.1	Very high	86.6	Confident	5 Å²	5	57.6 Å²	57.6	2%	0.022	28%	0.275	C	S	.	.			trans	-113.4	51.4	-168.8	-56.5	-75.6	0	0	0	112.9	F58 E64 L65 Y90 C97 K107 I109	F58-F62 AromaticContact CD2-CD2 3.51Å; F58-F62 HydrophobicContact CD2-CD2 3.51Å; F58-F62 HydrophobicContact CD2-CE2 4.01Å; F58-F62 HydrophobicContact CD2-CG 4.47Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CE2 4.4Å; F58-F62 HydrophobicContact CE2-CG 4.42Å; F58-F62 HydrophobicContact CG-CD2 4.33Å; F58-F62 WeakPolarHBondContact O-CD2 3.43Å; F58-F62 PolarHBondContact O-N 3.23Å; F62-E64 PolarHBondContact O-N 3.12Å; F62-L65 HydrophobicContact CB-CD1 3.68Å; F62-L65 HydrophobicContact CB-CG 4.07Å; F62-L65 HydrophobicContact CG-CD1 4.46Å; F62-L65 WeakPolarHBondContact O-CB 3.48Å; F62-L65 PolarHBondContact O-N 3.06Å; F62-L65 VanDerWaalsContact O-N 3.09Å; F62-Y90 AromaticContact CE2-CD2 3.68Å; F62-Y90 HydrophobicContact CE2-CD2 3.68Å; F62-Y90 HydrophobicContact CE2-CE2 4.09Å; F62-Y90 HydrophobicContact CE2-CG 4.17Å; F62-Y90 HydrophobicContact CZ-CD2 4.16Å; F62-C97 HydrophobicContact CD1-CB 3.98Å; F62-C97 HydrophobicContact CD2-CB 4.17Å; F62-C97 HydrophobicContact CE1-CB 3.7Å; F62-C97 HydrophobicContact CE2-CB 3.9Å; F62-C97 HydrophobicContact CG-CB 4.21Å; F62-C97 HydrophobicContact CZ-CB 3.64Å; F62-K107 HydrophobicContact CD1-CD 4.46Å; F62-K107 HydrophobicContact CE1-CB 4.39Å; F62-K107 HydrophobicContact CE1-CD 4.44Å; F62-K107 HydrophobicContact CE1-CG 4.4Å; F62-I109 HydrophobicContact CD1-CD1 3.98Å; F62-I109 HydrophobicContact CD1-CG1 3.85Å; F62-I109 HydrophobicContact CE1-CG1 4.21Å
63	K	84.9	Confident	87	Confident	168 Å²	168	55.6 Å²	55.6	73%	0.73	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-1.2	175.5	-58.2	-173.7	177.9	-170.1	0	115.7	K59	K59-K63 WeakPolarHBondContact O-CG 3.5Å
64	E	83.8	Confident	87.3	Confident	135 Å²	135	50.8 Å²	50.8	63%	0.631	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.8	-179.3	-64	146.7	-120.5	0	0	111.2	F62 K107 I109	F62-E64 PolarHBondContact O-N 3.12Å; E64-K107 IonicContact OE1-NZ 2.75Å; E64-K107 PolarHBondContact OE1-NZ 3.3Å; E64-I109 HydrophobicContact CB-CD1 4.24Å
65	L	86.3	Confident	87.6	Confident	23 Å²	23	50.4 Å²	50.4	12%	0.12	24%	0.242	C	C	.	.	S	Bend	trans	-87.9	156.7	174.8	-64.3	175.5	0	0	0	112	F58 F62 W95 I109	F58-L65 HydrophobicContact CE1-CD1 4.23Å; F58-L65 HydrophobicContact CE2-CD1 3.98Å; F58-L65 HydrophobicContact CZ-CD1 3.46Å; F58-L65 VanDerWaalsContact CZ-CD1 3.46Å; F62-L65 HydrophobicContact CB-CD1 3.68Å; F62-L65 HydrophobicContact CB-CG 4.07Å; F62-L65 HydrophobicContact CG-CD1 4.46Å; F62-L65 WeakPolarHBondContact O-CB 3.48Å; F62-L65 PolarHBondContact O-N 3.06Å; F62-L65 VanDerWaalsContact O-N 3.09Å; L65-W95 HydrophobicContact CD2-CB 4.32Å; L65-W95 HydrophobicContact CD2-CD2 3.74Å; L65-W95 HydrophobicContact CD2-CE3 4.23Å; L65-W95 HydrophobicContact CD2-CG 3.75Å; L65-I109 HydrophobicContact CD2-CG2 3.81Å
66	P	85.1	Confident	87.7	Confident	68 Å²	68	51.4 Å²	51.4	44%	0.442	25%	0.249	S	C	.	.			trans	-59.5	141.5	169	-21.9	33.8	0	0	0	112.6	S68 E69	P66-S68 PolarHBondContact O-N 3.45Å; P66-S68 VanDerWaalsContact O-N 3.08Å; P66-E69 HydrophobicContact CB-CG 4.47Å; P66-E69 WeakPolarHBondContact O-CB 3.41Å; P66-E69 PolarHBondContact O-N 2.97Å
67	D	76	Confident	87.9	Confident	129 Å²	129	46.2 Å²	46.2	69%	0.69	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.3	178.6	-96.5	-55.6	0	0	0	114.7	K59 E69	K59-D67 PolarHBondContact NZ-O 3Å; K59-D67 IonicContact NZ-OD1 2.74Å; K59-D67 PolarHBondContact NZ-OD1 3.08Å; K59-D67 VanDerWaalsContact NZ-OD1 3.09Å; D67-E69 VanDerWaalsContact C-N 3.31Å
68	S	79.6	Confident	88	Confident	47 Å²	47	45.1 Å²	45.1	33%	0.329	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.6	173.2	56.5	0	0	0	0	114.4	P66 I70	P66-S68 PolarHBondContact O-N 3.45Å; P66-S68 VanDerWaalsContact O-N 3.08Å; S68-I70 PolarHBondContact O-N 2.98Å
69	E	84.9	Confident	88.1	Confident	11 Å²	11	45 Å²	45	5%	0.051	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-73.9	116.3	-179.5	-70.9	-66.3	148.4	0	0	111.9	P66 D67 S92 N94	P66-E69 HydrophobicContact CB-CG 4.47Å; P66-E69 WeakPolarHBondContact O-CB 3.41Å; P66-E69 PolarHBondContact O-N 2.97Å; D67-E69 VanDerWaalsContact C-N 3.31Å; E69-S92 WeakPolarHBondContact OE2-CB 3.27Å; E69-S92 PolarHBondContact OE2-OG 2.87Å; E69-N94 WeakPolarHBondContact OE1-CB 3.08Å; E69-N94 PolarHBondContact OE1-ND2 2.99Å; E69-N94 PolarHBondContact OE2-N 3.33Å
70	I	85.6	Confident	87.9	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.026	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-91.9	131.4	175.7	-57.7	174.1	0	0	0	109.5	S68 I72 S92 L173 L195 L198 T199	S68-I70 PolarHBondContact O-N 2.98Å; I70-I72 PolarHBondContact O-N 3.16Å; I70-S92 WeakPolarHBondContact O-CA 3.43Å; I70-S92 WeakPolarHBondContact O-CB 3.27Å; I70-L173 HydrophobicContact CD1-CD2 3.96Å; I70-L173 HydrophobicContact CG2-CD1 4.5Å; I70-L173 HydrophobicContact CG2-CD2 4.36Å; I70-L195 HydrophobicContact CD1-CD2 4.07Å; I70-L195 HydrophobicContact CG1-CD2 4.07Å; I70-L195 HydrophobicContact CG2-CD2 3.93Å; I70-L198 HydrophobicContact CD1-CB 4.41Å; I70-L198 HydrophobicContact CD1-CD2 4.23Å; I70-L198 HydrophobicContact CG1-CD2 3.91Å; I70-T199 VanDerWaalsContact CD1-OG1 3.28Å; I70-T199 WeakPolarHBondContact CD1-OG1 3.1Å
71	L	89.9	Confident	87.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.1	170.1	175.7	67.4	0	0	0	109.7	Y51 R54 V55 F58 L73 Y90	Y51-L71 VanDerWaalsContact CE2-O 3.29Å; Y51-L71 WeakPolarHBondContact CE2-O 3.37Å; Y51-L71 PolarHBondContact OH-O 3.34Å; R54-L71 HydrophobicContact CB-CD2 3.8Å; R54-L71 WeakPolarHBondContact O-CD2 3.06Å; V55-L71 HydrophobicContact CG2-CB 4.38Å; V55-L71 HydrophobicContact CG2-CD2 4.46Å; F58-L71 HydrophobicContact CB-CD2 4.11Å; F58-L71 HydrophobicContact CD1-CB 4.03Å; F58-L71 HydrophobicContact CD2-CD1 4.17Å; F58-L71 HydrophobicContact CE1-CB 4.42Å; F58-L71 HydrophobicContact CG-CB 4.26Å; F58-L71 HydrophobicContact CG-CD1 4.28Å; L71-L73 WeakPolarHBondContact CD1-O 3.42Å; L71-Y90 HydrophobicContact CD1-CD1 3.87Å; L71-Y90 HydrophobicContact CD1-CG 4.36Å; L71-Y90 HydrophobicContact CD2-CD1 4.3Å
72	I	89.5	Confident	87	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-50.1	176.5	-43.1	170.4	0	0	0	110.1	I70 L91 E93 I158 L168 L173 M176	I70-I72 PolarHBondContact O-N 3.16Å; I72-L91 PolarHBondContact N-O 2.81Å; I72-E93 HydrophobicContact CD1-CG 4.25Å; I72-I158 HydrophobicContact CD1-CD1 4Å; I72-I158 HydrophobicContact CD1-CG1 3.94Å; I72-I158 HydrophobicContact CD1-CG2 3.91Å; I72-L168 HydrophobicContact CD1-CD1 3.71Å; I72-L168 HydrophobicContact CG1-CD1 4.44Å; I72-L173 HydrophobicContact CB-CD1 4.45Å; I72-L173 HydrophobicContact CG1-CD1 3.99Å; I72-L173 HydrophobicContact CG2-CD1 4.05Å; I72-M176 HydrophobicContact CG2-CB 4.12Å; I72-M176 HydrophobicContact CG2-CE 4.27Å
73	L	92.1	Very high	86.6	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.8	-165.7	-61.2	168.9	0	0	0	111.6	L71 Y75 L91 M176 H180	L71-L73 WeakPolarHBondContact CD1-O 3.42Å; L73-Y75 HydrophobicContact CB-CE2 4.06Å; L73-L91 HydrophobicContact CB-CB 4.31Å; L73-L91 HydrophobicContact CB-CD2 4.32Å; L73-L91 HydrophobicContact CD1-CD2 3.92Å; L73-L91 PolarHBondContact N-O 2.84Å; L73-L91 PolarHBondContact O-N 3.4Å; L73-M176 HydrophobicContact CD1-CE 3.64Å; L73-H180 HydrophobicContact CD2-CB 3.35Å
74	D	93.1	Very high	86.6	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	118.6	-179.7	108.1	-69.3	0	0	0	113.9	R54 R88 L89 Y90 H180 Y181	R54-D74 IonicContact CZ-OD1 2.67Å; R54-D74 IonicContact CZ-OD2 2.91Å; R54-D74 IonicContact NH1-OD2 3.25Å; R54-D74 PolarHBondContact NH1-OD2 2.94Å; R54-D74 VanDerWaalsContact NH2-CG 3.3Å; R54-D74 IonicContact NH2-OD1 3.09Å; R54-D74 PolarHBondContact NH2-OD1 2.94Å; R54-D74 IonicContact NH2-OD2 3.26Å; R54-D74 PolarHBondContact NH2-OD2 2.64Å; D74-R88 VanDerWaalsContact CG-NH2 3.31Å; D74-R88 PolarHBondContact O-NH2 3Å; D74-R88 IonicContact OD1-NH2 3.39Å; D74-R88 PolarHBondContact OD1-NH2 3.31Å; D74-R88 IonicContact OD2-CZ 3.28Å; D74-R88 IonicContact OD2-NE 3.07Å; D74-R88 PolarHBondContact OD2-NE 2.92Å; D74-R88 IonicContact OD2-NH2 3.67Å; D74-R88 PolarHBondContact OD2-NH2 3.11Å; D74-L89 CarbonylContact C-O 3.47Å; D74-L89 VanDerWaalsContact CA-O 3.31Å; D74-L89 WeakPolarHBondContact CA-O 3.31Å; D74-Y90 HydrophobicContact CB-CD1 4.01Å; D74-Y90 HydrophobicContact CB-CE1 4.29Å; D74-H180 PolarHBondContact O-CE1 3.05Å; D74-Y181 WeakPolarHBondContact CB-OH 3.15Å; D74-Y181 PolarHBondContact N-OH 2.67Å; D74-Y181 WeakPolarHBondContact OD1-CE1 3.35Å; D74-Y181 PolarHBondContact OD1-OH 3.25Å
75	Y	93.3	Very high	86.9	Confident	11 Å²	11	44 Å²	44	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	-173	-61.8	-67.3	0	0	0	112.4	L73 C77 R88 L89 F145 S151 S154 V155 H180	L73-Y75 HydrophobicContact CB-CE2 4.06Å; Y75-C77 PolarHBondContact O-N 2.98Å; Y75-R88 CarbonylContact O-C 3.54Å; Y75-R88 VanDerWaalsContact O-CA 3.26Å; Y75-R88 WeakPolarHBondContact O-CA 3.36Å; Y75-L89 PolarHBondContact N-O 3.37Å; Y75-L89 PolarHBondContact O-N 2.92Å; Y75-F145 HydrophobicContact CG-CD1 4.5Å; Y75-F145 HydrophobicContact CG-CE1 4.34Å; Y75-S151 WeakPolarHBondContact CD1-OG 3.33Å; Y75-S151 WeakPolarHBondContact CE1-OG 3.12Å; Y75-S154 WeakPolarHBondContact OH-CB 3.49Å; Y75-S154 PolarHBondContact OH-OG 2.78Å; Y75-V155 HydrophobicContact CD2-CG2 4.31Å; Y75-V155 HydrophobicContact CE2-CG2 3.87Å; Y75-H180 AromaticContact CD1-NE2 3.91Å; Y75-H180 AromaticContact CE1-CD2 3.97Å; Y75-H180 AromaticContact CE1-NE2 3.49Å; Y75-H180 WeakPolarHBondContact CE1-NE2 3.5Å
76	P	91.8	Very high	87	Confident	51 Å²	51	49.4 Å²	49.4	33%	0.331	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.6	164.9	29.7	-29.7	0	0	0	109.5
77	C	92.6	Very high	87.4	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	178.4	177.7	67.9	0	0	0	0	110.8	Y75 G87 F98 A143 F145	Y75-C77 PolarHBondContact O-N 2.98Å; C77-G87 PolarHBondContact N-O 2.78Å; C77-G87 CarbonylContact O-C 3.48Å; C77-G87 PolarHBondContact O-N 2.84Å; C77-F98 VanDerWaalsContact SG-CE2 3.6Å; C77-A143 CarbonylContact C-O 3.48Å; C77-A143 VanDerWaalsContact CA-O 3.32Å; C77-A143 WeakPolarHBondContact CA-O 3.41Å; C77-A143 VanDerWaalsContact CB-O 3.31Å; C77-A143 WeakPolarHBondContact CB-O 3.38Å; C77-F145 HydrophobicContact CB-CD1 4.2Å; C77-F145 HydrophobicContact CB-CD2 4.44Å; C77-F145 HydrophobicContact CB-CE1 3.89Å; C77-F145 HydrophobicContact CB-CE2 4.15Å; C77-F145 HydrophobicContact CB-CG 4.46Å; C77-F145 HydrophobicContact CB-CZ 3.86Å
78	A	91.7	Very high	88.2	Confident	6 Å²	6	42.4 Å²	42.4	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.6	170.3	0	0	0	0	0	110.3	L84 L85 F142 A143	A78-L84 HydrophobicContact CB-CB 4.27Å; A78-L84 HydrophobicContact CB-CD2 4.34Å; A78-L85 CarbonylContact C-O 3.49Å; A78-L85 VanDerWaalsContact CA-O 3.26Å; A78-L85 WeakPolarHBondContact CA-O 3.37Å; A78-F142 CarbonylContact O-C 3.55Å; A78-F142 WeakPolarHBondContact O-CA 3.34Å; A78-A143 PolarHBondContact N-O 3Å; A78-A143 PolarHBondContact O-N 3.15Å
79	L	91.2	Very high	89	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	170.7	178.5	78	0	0	0	109.4	R81 L85 F98 I108 Y140 F142	L79-R81 HydrophobicContact CD2-CG 4Å; L79-R81 HydrophobicContact CG-CG 4.37Å; L79-L85 HydrophobicContact CB-CB 4.43Å; L79-L85 HydrophobicContact CD2-CD1 4.47Å; L79-L85 PolarHBondContact N-O 2.9Å; L79-L85 PolarHBondContact O-N 3.34Å; L79-F98 HydrophobicContact CB-CD1 4.22Å; L79-F98 HydrophobicContact CB-CE1 3.66Å; L79-F98 HydrophobicContact CB-CZ 3.84Å; L79-F98 HydrophobicContact CD2-CE1 4.47Å; L79-I108 HydrophobicContact CD1-CD1 4.3Å; L79-I108 HydrophobicContact CD2-CD1 3.41Å; L79-I108 VanDerWaalsContact CD2-CD1 3.41Å; L79-I108 HydrophobicContact CG-CD1 4.46Å; L79-Y140 HydrophobicContact CD1-CD1 4.21Å; L79-F142 HydrophobicContact CB-CD1 4.27Å; L79-F142 HydrophobicContact CB-CE1 4.25Å; L79-F142 HydrophobicContact CD1-CD1 3.92Å; L79-F142 HydrophobicContact CD1-CE1 3.6Å; L79-F142 HydrophobicContact CD1-CZ 3.96Å; L79-F142 HydrophobicContact CG-CE1 4.5Å
80	H	87	Confident	89.4	Confident	93 Å²	93	39.9 Å²	39.9	43%	0.431	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.6	169.7	-170.2	14.6	0	0	0	109.8	L84 F141	H80-L84 HydrophobicContact CB-CD2 3.82Å; H80-F141 HydrophobicContact CB-CB 4.16Å; H80-F141 HydrophobicContact CB-CD1 3.68Å; H80-F141 HydrophobicContact CB-CG 4.3Å; H80-F141 AromaticContact CD2-CD1 3.91Å; H80-F141 PolarHBondContact N-O 2.9Å
81	R	82.5	Confident	89.8	Confident	108 Å²	108	39.7 Å²	39.7	41%	0.408	20%	0.196	S	C	.	.	S	Bend	trans	-116.4	-134.5	156.1	-72.8	-177.3	163	179.4	-8.7	106.4	L79 I83 E138	L79-R81 HydrophobicContact CD2-CG 4Å; L79-R81 HydrophobicContact CG-CG 4.37Å; R81-I83 PolarHBondContact N-O 3.17Å; R81-I83 PolarHBondContact O-N 3.03Å; R81-I83 VanDerWaalsContact O-N 3.08Å; R81-E138 IonicContact NH2-OE2 3.63Å; R81-E138 PolarHBondContact NH2-OE2 3.25Å
82	D	76.1	Confident	89.9	Confident	163 Å²	163	39.6 Å²	39.6	87%	0.872	20%	0.195	S	C	*	.	S	Bend	trans	-58.5	-25	175.3	-44.1	-78.5	0	0	0	112.9
83	I	81.9	Confident	89.7	Confident	89 Å²	89	40.5 Å²	40.5	46%	0.456	20%	0.199	S	C	.	.	S	Bend	trans	-134.9	170.2	172.3	58	171.8	0	0	0	110.6	R81 L85 F103	R81-I83 PolarHBondContact N-O 3.17Å; R81-I83 PolarHBondContact O-N 3.03Å; R81-I83 VanDerWaalsContact O-N 3.08Å; I83-L85 HydrophobicContact CD1-CD2 3.81Å; I83-L85 HydrophobicContact CG1-CD2 3.89Å; I83-L85 HydrophobicContact CG1-CG 4.37Å; I83-L85 PolarHBondContact O-N 3.06Å; I83-F103 HydrophobicContact CD1-CD2 3.89Å; I83-F103 HydrophobicContact CD1-CE2 3.46Å; I83-F103 VanDerWaalsContact CD1-CE2 3.46Å; I83-F103 HydrophobicContact CD1-CZ 4.35Å
84	L	84.6	Confident	89.6	Confident	92 Å²	92	42.9 Å²	42.9	48%	0.482	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.1	169.9	-70.7	173.1	0	0	0	110.4	A78 H80 Q86 A143	A78-L84 HydrophobicContact CB-CB 4.27Å; A78-L84 HydrophobicContact CB-CD2 4.34Å; H80-L84 HydrophobicContact CB-CD2 3.82Å; L84-Q86 PolarHBondContact O-N 3.48Å; L84-A143 HydrophobicContact CD2-CB 4.12Å
85	L	89.3	Confident	89.5	Confident	15 Å²	15	46.1 Å²	46.1	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	97.4	174.4	-62.6	178.4	0	0	0	109.3	A78 L79 I83 F98 F103	A78-L85 CarbonylContact C-O 3.49Å; A78-L85 VanDerWaalsContact CA-O 3.26Å; A78-L85 WeakPolarHBondContact CA-O 3.37Å; L79-L85 HydrophobicContact CB-CB 4.43Å; L79-L85 HydrophobicContact CD2-CD1 4.47Å; L79-L85 PolarHBondContact N-O 2.9Å; L79-L85 PolarHBondContact O-N 3.34Å; I83-L85 HydrophobicContact CD1-CD2 3.81Å; I83-L85 HydrophobicContact CG1-CD2 3.89Å; I83-L85 HydrophobicContact CG1-CG 4.37Å; I83-L85 PolarHBondContact O-N 3.06Å; L85-F98 WeakPolarHBondContact O-CZ 3.47Å; L85-F103 HydrophobicContact CD2-CD2 4Å
86	Q	90.1	Very high	89.6	Confident	136 Å²	136	45.7 Å²	45.7	64%	0.636	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.1	178.8	-170.9	172.5	1.1	0	0	111.6	L84 S100 Y101 V102	L84-Q86 PolarHBondContact O-N 3.48Å; Q86-S100 CarbonylContact O-C 3.53Å; Q86-S100 VanDerWaalsContact O-CA 3.28Å; Q86-S100 WeakPolarHBondContact O-CA 3.44Å; Q86-S100 WeakPolarHBondContact O-CB 3.23Å; Q86-S100 PolarHBondContact O-OG 3.45Å; Q86-Y101 PolarHBondContact O-N 3.47Å; Q86-V102 HydrophobicContact CB-CG2 4.13Å
87	G	93.1	Very high	89.7	Confident	4 Å²	4	43.2 Å²	43.2	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-153.1	-172.8	0	0	0	0	0	113.7	C77 Y99	C77-G87 PolarHBondContact N-O 2.78Å; C77-G87 CarbonylContact O-C 3.48Å; C77-G87 PolarHBondContact O-N 2.84Å; G87-Y99 CarbonylContact C-O 3.15Å; G87-Y99 WeakPolarHBondContact CA-O 3.37Å
88	R	93.4	Very high	89.8	Confident	47 Å²	47	43 Å²	43	18%	0.177	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.8	171.3	-56.6	-169.1	71.8	102.8	-5.8	111.8	R54 D74 Y75 Y90 F98 Y99 Y101	R54-R88 VanDerWaalsContact NH2-CZ 3.32Å; R54-R88 VanDerWaalsContact NH2-NH2 3.1Å; D74-R88 VanDerWaalsContact CG-NH2 3.31Å; D74-R88 PolarHBondContact O-NH2 3Å; D74-R88 IonicContact OD1-NH2 3.39Å; D74-R88 PolarHBondContact OD1-NH2 3.31Å; D74-R88 IonicContact OD2-CZ 3.28Å; D74-R88 IonicContact OD2-NE 3.07Å; D74-R88 PolarHBondContact OD2-NE 2.92Å; D74-R88 IonicContact OD2-NH2 3.67Å; D74-R88 PolarHBondContact OD2-NH2 3.11Å; Y75-R88 CarbonylContact O-C 3.54Å; Y75-R88 VanDerWaalsContact O-CA 3.26Å; Y75-R88 WeakPolarHBondContact O-CA 3.36Å; R88-Y90 HydrophobicContact CB-CD2 4.44Å; R88-Y90 HydrophobicContact CB-CE2 3.77Å; R88-F98 WeakPolarHBondContact O-CA 3.37Å; R88-F98 WeakPolarHBondContact O-CD2 3.36Å; R88-Y99 PolarHBondContact N-O 3.11Å; R88-Y99 PolarHBondContact O-N 3.36Å; R88-Y101 WeakPolarHBondContact CD-OH 3.47Å; R88-Y101 HydrophobicContact CG-CE2 3.73Å
89	L	94.7	Very high	89.9	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.3	167.2	-158.8	71.3	0	0	0	108.5	D74 Y75 I96 C97 F98 F142 F145	D74-L89 CarbonylContact C-O 3.47Å; D74-L89 VanDerWaalsContact CA-O 3.31Å; D74-L89 WeakPolarHBondContact CA-O 3.31Å; Y75-L89 PolarHBondContact N-O 3.37Å; Y75-L89 PolarHBondContact O-N 2.92Å; L89-I96 HydrophobicContact CD1-CG2 3.48Å; L89-I96 VanDerWaalsContact CD1-CG2 3.48Å; L89-I96 HydrophobicContact CD2-CG2 4.2Å; L89-I96 HydrophobicContact CG-CG2 3.95Å; L89-C97 CarbonylContact C-O 3.57Å; L89-C97 WeakPolarHBondContact CA-O 3.46Å; L89-F98 HydrophobicContact CD1-CB 3.95Å; L89-F98 HydrophobicContact CD1-CD2 4.36Å; L89-F142 HydrophobicContact CD1-CD1 4.25Å; L89-F142 HydrophobicContact CD1-CE1 3.88Å; L89-F142 HydrophobicContact CD1-CE2 4.31Å; L89-F142 HydrophobicContact CD1-CZ 3.91Å; L89-F145 HydrophobicContact CD2-CE1 4.37Å; L89-F145 HydrophobicContact CD2-CZ 4.26Å
90	Y	94.4	Very high	89.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.7	174.1	-60.5	-97.6	0	0	0	107.4	E57 F58 L61 F62 L71 D74 R88 C97	E57-Y90 PolarHBondContact OE1-OH 2.63Å; E57-Y90 PolarHBondContact OE2-OH 3.01Å; F58-Y90 HydrophobicContact CB-CD1 4.13Å; F58-Y90 HydrophobicContact CB-CE1 4.45Å; F58-Y90 AromaticContact CD2-CD1 3.96Å; F58-Y90 HydrophobicContact CD2-CD1 3.96Å; F58-Y90 AromaticContact CD2-CG 3.9Å; F58-Y90 HydrophobicContact CD2-CG 3.9Å; F58-Y90 HydrophobicContact CG-CD1 4.48Å; L61-Y90 HydrophobicContact CD1-CE2 4.3Å; F62-Y90 AromaticContact CE2-CD2 3.68Å; F62-Y90 HydrophobicContact CE2-CD2 3.68Å; F62-Y90 HydrophobicContact CE2-CE2 4.09Å; F62-Y90 HydrophobicContact CE2-CG 4.17Å; F62-Y90 HydrophobicContact CZ-CD2 4.16Å; L71-Y90 HydrophobicContact CD1-CD1 3.87Å; L71-Y90 HydrophobicContact CD1-CG 4.36Å; L71-Y90 HydrophobicContact CD2-CD1 4.3Å; D74-Y90 HydrophobicContact CB-CD1 4.01Å; D74-Y90 HydrophobicContact CB-CE1 4.29Å; R88-Y90 HydrophobicContact CB-CD2 4.44Å; R88-Y90 HydrophobicContact CB-CE2 3.77Å; Y90-C97 PolarHBondContact N-O 2.81Å; Y90-C97 PolarHBondContact O-N 2.8Å
91	L	93.8	Very high	89.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.8	-179	179	71.6	0	0	0	109.1	I72 L73 I96 V155 I158	I72-L91 PolarHBondContact N-O 2.81Å; L73-L91 HydrophobicContact CB-CB 4.31Å; L73-L91 HydrophobicContact CB-CD2 4.32Å; L73-L91 HydrophobicContact CD1-CD2 3.92Å; L73-L91 PolarHBondContact N-O 2.84Å; L73-L91 PolarHBondContact O-N 3.4Å; L91-I96 HydrophobicContact CD1-CD1 4.33Å; L91-I96 HydrophobicContact CD1-CG1 3.63Å; L91-V155 HydrophobicContact CD2-CG2 4.07Å; L91-I158 HydrophobicContact CD1-CB 4.29Å; L91-I158 HydrophobicContact CD1-CG2 4.22Å; L91-I158 HydrophobicContact CD2-CB 4.02Å; L91-I158 HydrophobicContact CD2-CG1 3.73Å; L91-I158 HydrophobicContact CD2-CG2 4.49Å; L91-I158 HydrophobicContact CG-CB 4.41Å; L91-I158 HydrophobicContact CG-CG1 4.44Å; L91-I158 HydrophobicContact CG-CG2 4.38Å
92	S	90.9	Very high	89.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-173	168.2	74.7	0	0	0	0	110.8	E69 I70 W95 I158	E69-S92 WeakPolarHBondContact OE2-CB 3.27Å; E69-S92 PolarHBondContact OE2-OG 2.87Å; I70-S92 WeakPolarHBondContact O-CA 3.43Å; I70-S92 WeakPolarHBondContact O-CB 3.27Å; S92-W95 PolarHBondContact N-O 3.33Å; S92-W95 PolarHBondContact OG-N 3.39Å; S92-W95 PolarHBondContact OG-O 3.29Å; S92-I158 WeakPolarHBondContact O-CG2 3.5Å
93	E	86.6	Confident	88.7	Confident	18 Å²	18	42.9 Å²	42.9	8%	0.084	20%	0.199	C	C	.	.	S	Bend	trans	-65.3	-36.1	179.9	-58	-158.2	128.6	0	0	113.1	I72 L112	I72-E93 HydrophobicContact CD1-CG 4.25Å; E93-L112 WeakPolarHBondContact O-CD1 3.47Å
94	N	88.6	Confident	87.8	Confident	54 Å²	54	51.3 Å²	51.3	29%	0.289	23%	0.225	S	C	.	.	S	Bend	trans	-117.1	-8.6	-177.2	-58.7	-68.9	0	0	0	114.8	E69 L112	E69-N94 WeakPolarHBondContact OE1-CB 3.08Å; E69-N94 PolarHBondContact OE1-ND2 2.99Å; E69-N94 PolarHBondContact OE2-N 3.33Å; N94-L112 WeakPolarHBondContact O-CG 3.42Å; N94-L112 PolarHBondContact O-N 3.11Å
95	W	92.4	Very high	87.2	Confident	70 Å²	70	47.6 Å²	47.6	27%	0.265	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.6	-171	-54	82.5	0	0	0	114.1	L65 S92 I109 L110	L65-W95 HydrophobicContact CD2-CB 4.32Å; L65-W95 HydrophobicContact CD2-CD2 3.74Å; L65-W95 HydrophobicContact CD2-CE3 4.23Å; L65-W95 HydrophobicContact CD2-CG 3.75Å; S92-W95 PolarHBondContact N-O 3.33Å; S92-W95 PolarHBondContact OG-N 3.39Å; S92-W95 PolarHBondContact OG-O 3.29Å; W95-I109 HydrophobicContact CD2-CG2 4.28Å; W95-I109 HydrophobicContact CE3-CG2 3.47Å; W95-I109 VanDerWaalsContact CE3-CG2 3.47Å; W95-I109 HydrophobicContact CZ3-CG2 3.87Å; W95-L110 WeakPolarHBondContact CA-O 3.27Å
96	I	94.4	Very high	87	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	162.7	-68.6	176.8	0	0	0	107.8	L89 L91 L110 L112 I115 I133 V155	L89-I96 HydrophobicContact CD1-CG2 3.48Å; L89-I96 VanDerWaalsContact CD1-CG2 3.48Å; L89-I96 HydrophobicContact CD2-CG2 4.2Å; L89-I96 HydrophobicContact CG-CG2 3.95Å; L91-I96 HydrophobicContact CD1-CD1 4.33Å; L91-I96 HydrophobicContact CD1-CG1 3.63Å; I96-L110 PolarHBondContact N-O 3.43Å; I96-L110 PolarHBondContact O-N 3.03Å; I96-L112 HydrophobicContact CD1-CD2 3.55Å; I96-L112 HydrophobicContact CG1-CD2 3.58Å; I96-L112 HydrophobicContact CG1-CG 4.46Å; I96-I115 HydrophobicContact CD1-CD1 3.74Å; I96-I133 HydrophobicContact CD1-CD1 3.74Å; I96-I133 HydrophobicContact CG2-CD1 4.37Å; I96-V155 HydrophobicContact CD1-CG1 3.51Å; I96-V155 HydrophobicContact CG1-CG1 4.47Å
97	C	94.2	Very high	87	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.4	-178.9	-62.8	0	0	0	0	109.9	F58 F62 L89 Y90 I108	F58-C97 HydrophobicContact CE2-CB 4.3Å; F62-C97 HydrophobicContact CD1-CB 3.98Å; F62-C97 HydrophobicContact CD2-CB 4.17Å; F62-C97 HydrophobicContact CE1-CB 3.7Å; F62-C97 HydrophobicContact CE2-CB 3.9Å; F62-C97 HydrophobicContact CG-CB 4.21Å; F62-C97 HydrophobicContact CZ-CB 3.64Å; L89-C97 CarbonylContact C-O 3.57Å; L89-C97 WeakPolarHBondContact CA-O 3.46Å; Y90-C97 PolarHBondContact N-O 2.81Å; Y90-C97 PolarHBondContact O-N 2.8Å; C97-I108 CarbonylContact C-O 3.19Å; C97-I108 WeakPolarHBondContact CA-O 3.4Å
98	F	94.8	Very high	86.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.7	175.8	174.2	-96.9	0	0	0	110.4	C77 L79 L85 R88 L89 K107 I108 F142	C77-F98 VanDerWaalsContact SG-CE2 3.6Å; L79-F98 HydrophobicContact CB-CD1 4.22Å; L79-F98 HydrophobicContact CB-CE1 3.66Å; L79-F98 HydrophobicContact CB-CZ 3.84Å; L79-F98 HydrophobicContact CD2-CE1 4.47Å; L85-F98 WeakPolarHBondContact O-CZ 3.47Å; R88-F98 WeakPolarHBondContact O-CA 3.37Å; R88-F98 WeakPolarHBondContact O-CD2 3.36Å; L89-F98 HydrophobicContact CD1-CB 3.95Å; L89-F98 HydrophobicContact CD1-CD2 4.36Å; F98-K107 CarbonylContact O-C 3.55Å; F98-K107 WeakPolarHBondContact O-CA 3.47Å; F98-I108 HydrophobicContact CB-CB 4.29Å; F98-I108 HydrophobicContact CD1-CD1 4.49Å; F98-I108 PolarHBondContact N-O 3.25Å; F98-I108 PolarHBondContact O-N 3.01Å; F98-F142 HydrophobicContact CB-CE1 3.8Å; F98-F142 HydrophobicContact CB-CZ 4.25Å; F98-F142 HydrophobicContact CD1-CE1 4.3Å; F98-F142 HydrophobicContact CD2-CD1 4.08Å; F98-F142 AromaticContact CD2-CE1 3.74Å; F98-F142 HydrophobicContact CD2-CE1 3.74Å; F98-F142 HydrophobicContact CE2-CD1 4.47Å; F98-F142 HydrophobicContact CE2-CE1 4.43Å; F98-F142 HydrophobicContact CG-CD1 4.45Å; F98-F142 AromaticContact CG-CE1 3.67Å; F98-F142 HydrophobicContact CG-CE1 3.67Å
99	Y	93.6	Very high	86.9	Confident	52 Å²	52	47 Å²	47	20%	0.204	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.1	171.9	-179.7	-115.3	0	0	0	110.3	L61 G87 R88 Y101 G105 K107	L61-Y99 HydrophobicContact CD1-CD1 3.59Å; L61-Y99 HydrophobicContact CD1-CE1 4.18Å; L61-Y99 HydrophobicContact CD1-CG 3.85Å; L61-Y99 HydrophobicContact CD2-CD1 3.8Å; L61-Y99 HydrophobicContact CD2-CD2 4.03Å; L61-Y99 HydrophobicContact CD2-CE1 3.63Å; L61-Y99 HydrophobicContact CD2-CE2 3.86Å; L61-Y99 HydrophobicContact CD2-CG 3.98Å; L61-Y99 HydrophobicContact CG-CD1 4.36Å; L61-Y99 HydrophobicContact CG-CG 4.49Å; G87-Y99 CarbonylContact C-O 3.15Å; G87-Y99 WeakPolarHBondContact CA-O 3.37Å; R88-Y99 PolarHBondContact N-O 3.11Å; R88-Y99 PolarHBondContact O-N 3.36Å; Y99-Y101 AromaticContact CD1-CD1 3.92Å; Y99-Y101 HydrophobicContact CD1-CD1 3.92Å; Y99-Y101 AromaticContact CD1-CE1 3.81Å; Y99-Y101 HydrophobicContact CD1-CE1 3.81Å; Y99-Y101 AromaticContact CE1-CD1 3.69Å; Y99-Y101 HydrophobicContact CE1-CD1 3.69Å; Y99-Y101 AromaticContact CE1-CE1 3.86Å; Y99-Y101 HydrophobicContact CE1-CE1 3.86Å; Y99-G105 WeakPolarHBondContact CE2-O 3.41Å; Y99-K107 HydrophobicContact CD2-CG 3.94Å; Y99-K107 HydrophobicContact CE2-CG 4.43Å
100	S	92.4	Very high	86.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.2	169.5	-173.2	0	0	0	0	111.2	Q86 V102 G105 T106	Q86-S100 CarbonylContact O-C 3.53Å; Q86-S100 VanDerWaalsContact O-CA 3.28Å; Q86-S100 WeakPolarHBondContact O-CA 3.44Å; Q86-S100 WeakPolarHBondContact O-CB 3.23Å; Q86-S100 PolarHBondContact O-OG 3.45Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact OG-N 2.93Å; S100-V102 VanDerWaalsContact OG-N 3.09Å; S100-G105 WeakPolarHBondContact O-CA 3.37Å; S100-T106 PolarHBondContact N-O 3.4Å
101	Y	85.6	Confident	86.7	Confident	115 Å²	115	48.3 Å²	48.3	45%	0.451	22%	0.218	S	C	.	.	S	Bend	trans	-89.4	0.9	168.4	-59.7	-56.8	0	0	0	112.9	E57 Q86 R88 Y99	E57-Y101 PolarHBondContact OE1-OH 3.17Å; E57-Y101 VanDerWaalsContact OE1-OH 3.1Å; Q86-Y101 PolarHBondContact O-N 3.47Å; R88-Y101 WeakPolarHBondContact CD-OH 3.47Å; R88-Y101 HydrophobicContact CG-CE2 3.73Å; Y99-Y101 AromaticContact CD1-CD1 3.92Å; Y99-Y101 HydrophobicContact CD1-CD1 3.92Å; Y99-Y101 AromaticContact CD1-CE1 3.81Å; Y99-Y101 HydrophobicContact CD1-CE1 3.81Å; Y99-Y101 AromaticContact CE1-CD1 3.69Å; Y99-Y101 HydrophobicContact CE1-CD1 3.69Å; Y99-Y101 AromaticContact CE1-CE1 3.86Å; Y99-Y101 HydrophobicContact CE1-CE1 3.86Å
102	V	74.4	Confident	86.4	Confident	56 Å²	56	48.2 Å²	48.2	34%	0.339	22%	0.218	S	C	.	.	S	Bend	trans	-112.3	157	-175.4	-154.3	0	0	0	0	109.9	Q86 S100 G105	Q86-V102 HydrophobicContact CB-CG2 4.13Å; S100-V102 VanDerWaalsContact C-N 3.32Å; S100-V102 PolarHBondContact OG-N 2.93Å; S100-V102 VanDerWaalsContact OG-N 3.09Å; V102-G105 PolarHBondContact O-N 3.31Å
103	F	59.5	Low	86.3	Confident	146 Å²	146	53.1 Å²	53.1	64%	0.64	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.6	69	174.5	-67	-72.9	0	0	0	115	I83 L85 G105	I83-F103 HydrophobicContact CD1-CD2 3.89Å; I83-F103 HydrophobicContact CD1-CE2 3.46Å; I83-F103 VanDerWaalsContact CD1-CE2 3.46Å; I83-F103 HydrophobicContact CD1-CZ 4.35Å; L85-F103 HydrophobicContact CD2-CD2 4Å; F103-G105 PolarHBondContact O-N 2.85Å
104	R	63.3	Low	86.5	Confident	265 Å²	265	56.4 Å²	56.4	100%	1	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	2.4	178.3	-65.9	-175.8	171.3	-175.5	-2.5	116.5
105	G	72.5	Confident	86.7	Confident	14 Å²	14	54.2 Å²	54.2	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	63.1	171.3	0	0	0	0	0	113.7	Y99 S100 V102 F103 K107	Y99-G105 WeakPolarHBondContact CE2-O 3.41Å; S100-G105 WeakPolarHBondContact O-CA 3.37Å; V102-G105 PolarHBondContact O-N 3.31Å; F103-G105 PolarHBondContact O-N 2.85Å; G105-K107 PolarHBondContact O-N 2.99Å
106	T	84.4	Confident	86.5	Confident	41 Å²	41	54.3 Å²	54.3	25%	0.252	25%	0.253	S	S	.	.			trans	-54.8	119.6	174.6	-56.6	0	0	0	0	111	S100	S100-T106 PolarHBondContact N-O 3.4Å
107	K	90.6	Very high	86.2	Confident	85 Å²	85	57.9 Å²	57.9	37%	0.37	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	146.5	168.4	-60.3	-175.3	-161.2	179.4	0	110.7	L61 F62 E64 F98 Y99 G105	L61-K107 WeakPolarHBondContact O-CE 3.49Å; L61-K107 PolarHBondContact O-NZ 3.45Å; F62-K107 HydrophobicContact CD1-CD 4.46Å; F62-K107 HydrophobicContact CE1-CB 4.39Å; F62-K107 HydrophobicContact CE1-CD 4.44Å; F62-K107 HydrophobicContact CE1-CG 4.4Å; E64-K107 IonicContact OE1-NZ 2.75Å; E64-K107 PolarHBondContact OE1-NZ 3.3Å; F98-K107 CarbonylContact O-C 3.55Å; F98-K107 WeakPolarHBondContact O-CA 3.47Å; Y99-K107 HydrophobicContact CD2-CG 3.94Å; Y99-K107 HydrophobicContact CE2-CG 4.43Å; G105-K107 PolarHBondContact O-N 2.99Å
108	I	90.6	Very high	86.1	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.072	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.8	163.8	-74	163.6	0	0	0	107.1	L79 C97 F98 L110 Y140	L79-I108 HydrophobicContact CD1-CD1 4.3Å; L79-I108 HydrophobicContact CD2-CD1 3.41Å; L79-I108 VanDerWaalsContact CD2-CD1 3.41Å; L79-I108 HydrophobicContact CG-CD1 4.46Å; C97-I108 CarbonylContact C-O 3.19Å; C97-I108 WeakPolarHBondContact CA-O 3.4Å; F98-I108 HydrophobicContact CB-CB 4.29Å; F98-I108 HydrophobicContact CD1-CD1 4.49Å; F98-I108 PolarHBondContact N-O 3.25Å; F98-I108 PolarHBondContact O-N 3.01Å; I108-L110 HydrophobicContact CG2-CD1 4.09Å; I108-L110 HydrophobicContact CG2-CD2 3.85Å; I108-L110 HydrophobicContact CG2-CG 3.67Å; I108-Y140 HydrophobicContact CD1-CD1 3.87Å; I108-Y140 HydrophobicContact CD1-CE1 3.86Å; I108-Y140 HydrophobicContact CG1-CE1 4.43Å; I108-Y140 HydrophobicContact CG2-CE1 4.28Å
109	I	93.1	Very high	85.7	Confident	50 Å²	50	60.3 Å²	60.3	26%	0.256	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.8	176	-61.4	174.4	0	0	0	106.1	F62 E64 L65 W95	F62-I109 HydrophobicContact CD1-CD1 3.98Å; F62-I109 HydrophobicContact CD1-CG1 3.85Å; F62-I109 HydrophobicContact CE1-CG1 4.21Å; E64-I109 HydrophobicContact CB-CD1 4.24Å; L65-I109 HydrophobicContact CD2-CG2 3.81Å; W95-I109 HydrophobicContact CD2-CG2 4.28Å; W95-I109 HydrophobicContact CE3-CG2 3.47Å; W95-I109 VanDerWaalsContact CE3-CG2 3.47Å; W95-I109 HydrophobicContact CZ3-CG2 3.87Å
110	L	92.3	Very high	85.4	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.6	-178.5	-55.6	175.9	0	0	0	109.2	W95 I96 I108 I133 T135 Y140	W95-L110 WeakPolarHBondContact CA-O 3.27Å; I96-L110 PolarHBondContact N-O 3.43Å; I96-L110 PolarHBondContact O-N 3.03Å; I108-L110 HydrophobicContact CG2-CD1 4.09Å; I108-L110 HydrophobicContact CG2-CD2 3.85Å; I108-L110 HydrophobicContact CG2-CG 3.67Å; L110-I133 HydrophobicContact CD1-CG2 4.32Å; L110-T135 HydrophobicContact CD2-CG2 4.16Å; L110-Y140 HydrophobicContact CD1-CD2 3.59Å; L110-Y140 HydrophobicContact CD1-CE2 3.81Å; L110-Y140 HydrophobicContact CD1-CG 4.15Å; L110-Y140 HydrophobicContact CD2-CD2 4.21Å; L110-Y140 HydrophobicContact CD2-CE2 3.52Å; L110-Y140 HydrophobicContact CG-CE2 4.32Å
111	S	91.9	Very high	84.8	Confident	17 Å²	17	66.3 Å²	66.3	12%	0.119	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.1	168	-173.4	0	0	0	0	109.2	K113 D114	S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 PolarHBondContact OG-N 3.35Å; S111-D114 WeakPolarHBondContact CB-OD2 3.31Å; S111-D114 PolarHBondContact O-N 3.19Å; S111-D114 VanDerWaalsContact O-N 3.11Å
112	L	89.3	Confident	84.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.4	-28.5	173.3	-72.8	173.7	0	0	0	112.1	E93 N94 I96 D114 I115 I158 W159	E93-L112 WeakPolarHBondContact O-CD1 3.47Å; N94-L112 WeakPolarHBondContact O-CG 3.42Å; N94-L112 PolarHBondContact O-N 3.11Å; I96-L112 HydrophobicContact CD1-CD2 3.55Å; I96-L112 HydrophobicContact CG1-CD2 3.58Å; I96-L112 HydrophobicContact CG1-CG 4.46Å; L112-D114 VanDerWaalsContact C-N 3.31Å; L112-D114 PolarHBondContact O-N 3.29Å; L112-I115 HydrophobicContact CD2-CD1 3.87Å; L112-I115 PolarHBondContact O-N 2.86Å; L112-I158 HydrophobicContact CD1-CG2 3.72Å; L112-W159 HydrophobicContact CD2-CB 3.99Å; L112-W159 HydrophobicContact CD2-CG 4.43Å; L112-W159 PolarHBondContact O-NE1 3.3Å; L112-W159 VanDerWaalsContact O-NE1 3.1Å
113	K	88.9	Confident	83.8	Confident	102 Å²	102	65.5 Å²	65.5	44%	0.443	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-74.6	-17.1	178.5	-58.9	-165.5	177	-161.8	0	113.9	S111 S162 D165	S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 PolarHBondContact OG-N 3.35Å; K113-S162 VanDerWaalsContact CE-O 3.26Å; K113-S162 WeakPolarHBondContact CE-O 3.38Å; K113-D165 VanDerWaalsContact NZ-CG 3.35Å; K113-D165 IonicContact NZ-OD1 3.3Å; K113-D165 PolarHBondContact NZ-OD1 3.2Å; K113-D165 IonicContact NZ-OD2 2.6Å; K113-D165 PolarHBondContact NZ-OD2 3.09Å
114	D	90.4	Very high	83.7	Confident	87 Å²	87	63 Å²	63	47%	0.465	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-89	-10	176.7	-70.6	-44.4	0	0	0	113.7	S111 L112 T135	S111-D114 WeakPolarHBondContact CB-OD2 3.31Å; S111-D114 PolarHBondContact O-N 3.19Å; S111-D114 VanDerWaalsContact O-N 3.11Å; L112-D114 VanDerWaalsContact C-N 3.31Å; L112-D114 PolarHBondContact O-N 3.29Å; D114-T135 VanDerWaalsContact O-CA 3.31Å; D114-T135 WeakPolarHBondContact O-CA 3.13Å
115	I	91.6	Very high	83.2	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.046	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123	179.4	-60.5	172.4	0	0	0	109.1	I96 L112 I133 W159	I96-I115 HydrophobicContact CD1-CD1 3.74Å; L112-I115 HydrophobicContact CD2-CD1 3.87Å; L112-I115 PolarHBondContact O-N 2.86Å; I115-I133 HydrophobicContact CB-CG2 4.42Å; I115-I133 HydrophobicContact CD1-CG2 3.74Å; I115-I133 HydrophobicContact CG1-CG2 3.73Å; I115-I133 HydrophobicContact CG2-CG2 3.89Å; I115-W159 HydrophobicContact CB-CZ2 4.35Å; I115-W159 HydrophobicContact CG2-CD2 4.26Å; I115-W159 HydrophobicContact CG2-CH2 4.48Å; I115-W159 HydrophobicContact CG2-CZ2 3.78Å; I115-W159 WeakPolarHBondContact O-CZ2 3.31Å; I115-W159 PolarHBondContact O-NE1 3.47Å
116	T	89	Confident	81.9	Confident	71 Å²	71	67.7 Å²	67.7	44%	0.436	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.9	179.7	59.5	0	0	0	0	112.1	C134 T135 R136	T116-C134 PolarHBondContact N-O 2.99Å; T116-C134 PolarHBondContact OG1-O 3.05Å; T116-C134 VanDerWaalsContact OG1-O 3.09Å; T116-T135 PolarHBondContact OG1-O 2.99Å; T116-R136 HydrophobicContact CG2-CB 4.44Å; T116-R136 HydrophobicContact CG2-CG 3.55Å
117	T	88.4	Confident	80.8	Confident	78 Å²	78	69.2 Å²	69.2	48%	0.479	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150.3	-179.8	52.1	0	0	0	0	111.3	C134	T117-C134 PolarHBondContact N-O 2.65Å; T117-C134 PolarHBondContact O-N 2.71Å; T117-C134 WeakPolarHBondContact OG1-CB 3.3Å
118	M	90.8	Very high	79.2	Confident	17 Å²	17	68.1 Å²	68.1	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129	177	-174.2	-173.7	175.8	0	0	108.4	I131 Q132 I133 Y152 V155 F156 W159	M118-I131 HydrophobicContact CE-CG2 3.52Å; M118-I131 HydrophobicContact CG-CG2 4.23Å; M118-Q132 CarbonylContact C-O 3.55Å; M118-Q132 WeakPolarHBondContact CA-O 3.42Å; M118-I133 HydrophobicContact CG-CG1 4.26Å; M118-Y152 HydrophobicContact CE-CD2 3.66Å; M118-Y152 HydrophobicContact CE-CE2 3.95Å; M118-Y152 HydrophobicContact CE-CG 4.16Å; M118-Y152 HydrophobicContact CG-CD2 4.42Å; M118-Y152 HydrophobicContact CG-CE2 3.84Å; M118-Y152 PolarHBondContact O-OH 3.36Å; M118-Y152 HydrophobicContact SD-CD2 4.43Å; M118-Y152 HydrophobicContact SD-CE2 4.12Å; M118-V155 HydrophobicContact CE-CB 3.74Å; M118-V155 HydrophobicContact CE-CG1 3.55Å; M118-V155 HydrophobicContact SD-CG1 4.14Å; M118-F156 HydrophobicContact CE-CB 4.44Å; M118-F156 HydrophobicContact SD-CB 3.98Å; M118-F156 HydrophobicContact SD-CD2 3.99Å; M118-W159 HydrophobicContact CB-CE3 4.07Å; M118-W159 HydrophobicContact CB-CH2 4.48Å; M118-W159 HydrophobicContact CB-CZ3 3.83Å; M118-W159 HydrophobicContact SD-CE3 4.37Å
119	S	87.1	Confident	78.7	Confident	33 Å²	33	70.5 Å²	70.5	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.2	-176.7	65.6	0	0	0	0	113.6	E121 Q132	S119-E121 WeakPolarHBondContact CB-OE1 3.38Å; S119-E121 PolarHBondContact OG-OE1 3.49Å; S119-Q132 PolarHBondContact N-O 3.01Å; S119-Q132 PolarHBondContact O-N 3.17Å
120	R	87.9	Confident	78.3	Confident	114 Å²	114	68.1 Å²	68.1	43%	0.43	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	97.5	177.2	-62.4	-179.1	-160.1	159.3	14.2	109.2	E149 Y152	R120-E149 VanDerWaalsContact CD-OE1 3.25Å; R120-E149 WeakPolarHBondContact CD-OE1 3.38Å; R120-E149 IonicContact CZ-OE1 2.82Å; R120-E149 VanDerWaalsContact CZ-OE1 3.26Å; R120-E149 IonicContact NE-OE1 3.78Å; R120-E149 PolarHBondContact NE-OE1 3.31Å; R120-E149 IonicContact NH1-OE1 2.62Å; R120-E149 PolarHBondContact NH1-OE1 2.87Å; R120-Y152 HydrophobicContact CG-CD1 4.17Å; R120-Y152 HydrophobicContact CG-CD2 3.35Å; R120-Y152 HydrophobicContact CG-CE1 4.31Å; R120-Y152 HydrophobicContact CG-CE2 3.46Å; R120-Y152 VanDerWaalsContact CG-CE2 3.46Å; R120-Y152 HydrophobicContact CG-CG 3.74Å; R120-Y152 VanDerWaalsContact NE-CE1 3.3Å
121	E	79.8	Confident	78.2	Confident	64 Å²	64	67.6 Å²	67.6	30%	0.299	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	170.2	-170.9	-69.6	-54.7	149.7	0	0	114.3	S119 A130 Q132 F141 R148	S119-E121 WeakPolarHBondContact CB-OE1 3.38Å; S119-E121 PolarHBondContact OG-OE1 3.49Å; E121-A130 HydrophobicContact CB-CB 3.88Å; E121-A130 PolarHBondContact N-O 2.74Å; E121-Q132 HydrophobicContact CG-CB 3.58Å; E121-F141 HydrophobicContact CB-CD2 4.43Å; E121-F141 HydrophobicContact CB-CE2 3.6Å; E121-F141 HydrophobicContact CB-CZ 4.08Å; E121-F141 HydrophobicContact CG-CD2 4.41Å; E121-F141 HydrophobicContact CG-CE2 3.94Å; E121-R148 PolarHBondContact O-NH1 2.93Å
122	K	75.3	Confident	78.2	Confident	121 Å²	121	68.7 Å²	68.7	53%	0.526	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115	171.7	-61	-177.5	-176.4	178.8	0	110.7	A124 R125 I127 P128	K122-A124 PolarHBondContact O-N 3.41Å; K122-R125 VanDerWaalsContact CD-O 3.31Å; K122-R125 WeakPolarHBondContact CD-O 3.44Å; K122-R125 PolarHBondContact O-N 3.38Å; K122-R125 VanDerWaalsContact O-N 3.09Å; K122-I127 CarbonylContact C-O 3.57Å; K122-I127 VanDerWaalsContact CA-O 3.31Å; K122-I127 WeakPolarHBondContact CA-O 3.47Å; K122-P128 HydrophobicContact CG-CB 4.28Å
123	T	63.8	Low	78.4	Confident	33 Å²	33	68.7 Å²	68.7	20%	0.202	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	124.1	170	-49.6	0	0	0	0	109.5	R125 L126 I127	T123-R125 PolarHBondContact O-N 2.97Å; T123-R125 VanDerWaalsContact O-N 3.1Å; T123-L126 PolarHBondContact O-N 3.34Å; T123-L126 VanDerWaalsContact O-N 3.13Å; T123-I127 PolarHBondContact N-O 3.12Å; T123-I127 PolarHBondContact O-N 3.02Å; T123-I127 VanDerWaalsContact O-N 3.1Å
124	A	57.3	Low	78.4	Confident	95 Å²	95	64.2 Å²	64.2	79%	0.785	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	34	-176.8	0	0	0	0	0	114.4	K122 L126	K122-A124 PolarHBondContact O-N 3.41Å; A124-L126 PolarHBondContact O-N 3.12Å
125	R	53.4	Low	78.4	Confident	228 Å²	228	60.8 Å²	60.8	86%	0.86	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-11.1	-174.5	-57.9	-178.8	176.3	-179.4	-1.4	116.3	K122 T123	K122-R125 VanDerWaalsContact CD-O 3.31Å; K122-R125 WeakPolarHBondContact CD-O 3.44Å; K122-R125 PolarHBondContact O-N 3.38Å; K122-R125 VanDerWaalsContact O-N 3.09Å; T123-R125 PolarHBondContact O-N 2.97Å; T123-R125 VanDerWaalsContact O-N 3.1Å
126	L	43.9	Very low	78.1	Confident	149 Å²	149	70.6 Å²	70.6	78%	0.78	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-39	-170.7	-169.6	63.8	0	0	0	114	T123 A124	T123-L126 PolarHBondContact O-N 3.34Å; T123-L126 VanDerWaalsContact O-N 3.13Å; A124-L126 PolarHBondContact O-N 3.12Å
127	I	61.7	Low	77.8	Confident	73 Å²	73	73.3 Å²	73.3	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.2	-171.9	-58.6	176.5	0	0	0	110.5	K122 T123 N129	K122-I127 CarbonylContact C-O 3.57Å; K122-I127 VanDerWaalsContact CA-O 3.31Å; K122-I127 WeakPolarHBondContact CA-O 3.47Å; T123-I127 PolarHBondContact N-O 3.12Å; T123-I127 PolarHBondContact O-N 3.02Å; T123-I127 VanDerWaalsContact O-N 3.1Å; I127-N129 HydrophobicContact CG2-CB 4.02Å; I127-N129 PolarHBondContact O-N 2.85Å
128	P	57.1	Low	77.8	Confident	61 Å²	61	73.7 Å²	73.7	40%	0.396	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	42.8	-173.6	35.4	-38.1	0	0	0	114.2	K122 R148	K122-P128 HydrophobicContact CG-CB 4.28Å; P128-R148 WeakPolarHBondContact O-CD 3.38Å; P128-R148 PolarHBondContact O-NE 3.37Å; P128-R148 PolarHBondContact O-NH1 2.86Å
129	N	79.2	Confident	77.8	Confident	64 Å²	64	80.3 Å²	80.3	34%	0.342	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	29.4	-174.8	-65.6	6.7	0	0	0	113.2	I127 A143 S144 F145	I127-N129 HydrophobicContact CG2-CB 4.02Å; I127-N129 PolarHBondContact O-N 2.85Å; N129-A143 CarbonylContact O-C 3.38Å; N129-S144 PolarHBondContact O-N 3.41Å; N129-F145 PolarHBondContact O-N 3.11Å
130	A	85.3	Confident	78	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.3	-178.2	0	0	0	0	0	113.9	E121 F141 F142 R148	E121-A130 HydrophobicContact CB-CB 3.88Å; E121-A130 PolarHBondContact N-O 2.74Å; A130-F141 HydrophobicContact CB-CD1 4.37Å; A130-F141 HydrophobicContact CB-CE1 3.53Å; A130-F141 HydrophobicContact CB-CE2 4.14Å; A130-F141 HydrophobicContact CB-CZ 3.39Å; A130-F142 CarbonylContact C-O 3.55Å; A130-F142 WeakPolarHBondContact CA-O 3.31Å; A130-F142 WeakPolarHBondContact CB-O 3.46Å; A130-R148 WeakPolarHBondContact O-CD 3.46Å
131	I	90.9	Very high	78.2	Confident	3 Å²	3	76 Å²	76	2%	0.015	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.6	172.6	-60.3	176.3	0	0	0	106.5	M118 I133 F142 F145 R148 Y152	M118-I131 HydrophobicContact CE-CG2 3.52Å; M118-I131 HydrophobicContact CG-CG2 4.23Å; I131-I133 HydrophobicContact CG2-CG1 4.42Å; I131-F142 PolarHBondContact N-O 3.14Å; I131-F142 PolarHBondContact O-N 2.97Å; I131-F145 HydrophobicContact CB-CD2 4.37Å; I131-F145 HydrophobicContact CB-CE2 3.72Å; I131-F145 HydrophobicContact CB-CZ 4.24Å; I131-F145 HydrophobicContact CD1-CD1 4.33Å; I131-F145 HydrophobicContact CD1-CD2 4Å; I131-F145 HydrophobicContact CD1-CE1 4.14Å; I131-F145 HydrophobicContact CD1-CE2 3.79Å; I131-F145 HydrophobicContact CD1-CG 4.27Å; I131-F145 HydrophobicContact CD1-CZ 3.87Å; I131-F145 HydrophobicContact CG1-CD2 3.94Å; I131-F145 HydrophobicContact CG1-CE2 3.74Å; I131-F145 HydrophobicContact CG1-CZ 4.29Å; I131-R148 HydrophobicContact CD1-CG 4.23Å; I131-R148 HydrophobicContact CG1-CG 3.76Å; I131-Y152 HydrophobicContact CG1-CD2 4.47Å; I131-Y152 HydrophobicContact CG2-CD2 4.27Å
132	Q	91.3	Very high	78.8	Confident	40 Å²	40	73 Å²	73	19%	0.187	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.1	174.9	-176.7	-179.4	-84	0	0	109.8	M118 S119 E121 Y140 F141	M118-Q132 CarbonylContact C-O 3.55Å; M118-Q132 WeakPolarHBondContact CA-O 3.42Å; S119-Q132 PolarHBondContact N-O 3.01Å; S119-Q132 PolarHBondContact O-N 3.17Å; E121-Q132 HydrophobicContact CG-CB 3.58Å; Q132-Y140 WeakPolarHBondContact CA-O 3.29Å; Q132-F141 HydrophobicContact CB-CD2 4.28Å; Q132-F141 HydrophobicContact CG-CD2 4.49Å
133	I	92.9	Very high	79.5	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.1	176.9	-66.4	174.8	0	0	0	106.9	I96 L110 I115 M118 I131 Y140 F142	I96-I133 HydrophobicContact CD1-CD1 3.74Å; I96-I133 HydrophobicContact CG2-CD1 4.37Å; L110-I133 HydrophobicContact CD1-CG2 4.32Å; I115-I133 HydrophobicContact CB-CG2 4.42Å; I115-I133 HydrophobicContact CD1-CG2 3.74Å; I115-I133 HydrophobicContact CG1-CG2 3.73Å; I115-I133 HydrophobicContact CG2-CG2 3.89Å; M118-I133 HydrophobicContact CG-CG1 4.26Å; I131-I133 HydrophobicContact CG2-CG1 4.42Å; I133-Y140 PolarHBondContact N-O 3.35Å; I133-Y140 PolarHBondContact O-N 3.13Å; I133-F142 HydrophobicContact CD1-CD2 4.2Å; I133-F142 HydrophobicContact CD1-CE2 4.02Å
134	C	89.1	Confident	80.6	Confident	8 Å²	8	69 Å²	69	5%	0.054	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	175.5	-52.3	0	0	0	0	109.2	T116 T117 K139	T116-C134 PolarHBondContact N-O 2.99Å; T116-C134 PolarHBondContact OG1-O 3.05Å; T116-C134 VanDerWaalsContact OG1-O 3.09Å; T117-C134 PolarHBondContact N-O 2.65Å; T117-C134 PolarHBondContact O-N 2.71Å; T117-C134 WeakPolarHBondContact OG1-CB 3.3Å; C134-K139 HydrophobicContact CB-CG 4.17Å
135	T	90.6	Very high	82.1	Confident	14 Å²	14	64.6 Å²	64.6	9%	0.086	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-165.7	166.3	66.7	0	0	0	0	109.6	L110 D114 T116 T137 E138 Y140	L110-T135 HydrophobicContact CD2-CG2 4.16Å; D114-T135 VanDerWaalsContact O-CA 3.31Å; D114-T135 WeakPolarHBondContact O-CA 3.13Å; T116-T135 PolarHBondContact OG1-O 2.99Å; T135-T137 VanDerWaalsContact C-N 3.28Å; T135-T137 PolarHBondContact OG1-N 2.93Å; T135-T137 PolarHBondContact OG1-OG1 2.86Å; T135-E138 PolarHBondContact N-O 2.88Å; T135-E138 PolarHBondContact OG1-N 3.03Å; T135-E138 PolarHBondContact OG1-O 2.98Å; T135-Y140 HydrophobicContact CG2-CD2 4.33Å; T135-Y140 HydrophobicContact CG2-CE2 3.88Å
136	R	85.3	Confident	83.6	Confident	216 Å²	216	58.7 Å²	58.7	82%	0.815	30%	0.304	S	S	*	.	S	Bend	trans	-75.7	-14.7	170.9	-60	-178.9	70.9	172.6	2.5	113.4	T116	T116-R136 HydrophobicContact CG2-CB 4.44Å; T116-R136 HydrophobicContact CG2-CG 3.55Å
137	T	83.3	Confident	85.6	Confident	127 Å²	127	53.9 Å²	53.9	78%	0.779	29%	0.286	S	S	*	.	S	Bend	trans	-123.2	-40.6	-170.7	49.4	0	0	0	0	113.8	T135	T135-T137 VanDerWaalsContact C-N 3.28Å; T135-T137 PolarHBondContact OG1-N 2.93Å; T135-T137 PolarHBondContact OG1-OG1 2.86Å
138	E	89	Confident	86.8	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.276	S	S	.	.			trans	-130.4	163.2	-174	-73.4	-168.5	-170.3	0	0	111.9	R81 T135 Y140	R81-E138 IonicContact NH2-OE2 3.63Å; R81-E138 PolarHBondContact NH2-OE2 3.25Å; T135-E138 PolarHBondContact N-O 2.88Å; T135-E138 PolarHBondContact OG1-N 3.03Å; T135-E138 PolarHBondContact OG1-O 2.98Å; E138-Y140 HydrophobicContact CB-CE1 4.38Å; E138-Y140 HydrophobicContact CB-CE2 3.78Å; E138-Y140 WeakPolarHBondContact CB-OH 3.27Å; E138-Y140 VanDerWaalsContact CD-OH 3.3Å; E138-Y140 VanDerWaalsContact OE2-CE1 3.27Å; E138-Y140 WeakPolarHBondContact OE2-CE1 3.48Å; E138-Y140 PolarHBondContact OE2-OH 3.31Å
139	K	89.5	Confident	88.2	Confident	156 Å²	156	53 Å²	53	68%	0.678	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.8	172.2	-63	-173.1	176.9	179.5	0	109.5	C134	C134-K139 HydrophobicContact CB-CG 4.17Å
140	Y	92	Very high	88.7	Confident	22 Å²	22	55.4 Å²	55.4	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.6	-179.5	-58	-79.6	0	0	0	109.5	L79 I108 L110 Q132 I133 T135 E138 F142	L79-Y140 HydrophobicContact CD1-CD1 4.21Å; I108-Y140 HydrophobicContact CD1-CD1 3.87Å; I108-Y140 HydrophobicContact CD1-CE1 3.86Å; I108-Y140 HydrophobicContact CG1-CE1 4.43Å; I108-Y140 HydrophobicContact CG2-CE1 4.28Å; L110-Y140 HydrophobicContact CD1-CD2 3.59Å; L110-Y140 HydrophobicContact CD1-CE2 3.81Å; L110-Y140 HydrophobicContact CD1-CG 4.15Å; L110-Y140 HydrophobicContact CD2-CD2 4.21Å; L110-Y140 HydrophobicContact CD2-CE2 3.52Å; L110-Y140 HydrophobicContact CG-CE2 4.32Å; Q132-Y140 WeakPolarHBondContact CA-O 3.29Å; I133-Y140 PolarHBondContact N-O 3.35Å; I133-Y140 PolarHBondContact O-N 3.13Å; T135-Y140 HydrophobicContact CG2-CD2 4.33Å; T135-Y140 HydrophobicContact CG2-CE2 3.88Å; E138-Y140 HydrophobicContact CB-CE1 4.38Å; E138-Y140 HydrophobicContact CB-CE2 3.78Å; E138-Y140 WeakPolarHBondContact CB-OH 3.27Å; E138-Y140 VanDerWaalsContact CD-OH 3.3Å; E138-Y140 VanDerWaalsContact OE2-CE1 3.27Å; E138-Y140 WeakPolarHBondContact OE2-CE1 3.48Å; E138-Y140 PolarHBondContact OE2-OH 3.31Å; Y140-F142 HydrophobicContact CG-CE2 4.47Å
141	F	91.1	Very high	89	Confident	34 Å²	34	55.5 Å²	55.5	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.7	178	-171.6	-79.7	0	0	0	108.9	H80 E121 A130 Q132 A143	H80-F141 HydrophobicContact CB-CB 4.16Å; H80-F141 HydrophobicContact CB-CD1 3.68Å; H80-F141 HydrophobicContact CB-CG 4.3Å; H80-F141 AromaticContact CD2-CD1 3.91Å; H80-F141 PolarHBondContact N-O 2.9Å; E121-F141 HydrophobicContact CB-CD2 4.43Å; E121-F141 HydrophobicContact CB-CE2 3.6Å; E121-F141 HydrophobicContact CB-CZ 4.08Å; E121-F141 HydrophobicContact CG-CD2 4.41Å; E121-F141 HydrophobicContact CG-CE2 3.94Å; A130-F141 HydrophobicContact CB-CD1 4.37Å; A130-F141 HydrophobicContact CB-CE1 3.53Å; A130-F141 HydrophobicContact CB-CE2 4.14Å; A130-F141 HydrophobicContact CB-CZ 3.39Å; Q132-F141 HydrophobicContact CB-CD2 4.28Å; Q132-F141 HydrophobicContact CG-CD2 4.49Å; F141-A143 HydrophobicContact CD1-CB 4.37Å; F141-A143 HydrophobicContact CE1-CB 4.1Å
142	F	92.6	Very high	89	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.6	176	-61.4	-80	0	0	0	109.2	A78 L79 L89 F98 A130 I131 I133 Y140 F145	A78-F142 CarbonylContact O-C 3.55Å; A78-F142 WeakPolarHBondContact O-CA 3.34Å; L79-F142 HydrophobicContact CB-CD1 4.27Å; L79-F142 HydrophobicContact CB-CE1 4.25Å; L79-F142 HydrophobicContact CD1-CD1 3.92Å; L79-F142 HydrophobicContact CD1-CE1 3.6Å; L79-F142 HydrophobicContact CD1-CZ 3.96Å; L79-F142 HydrophobicContact CG-CE1 4.5Å; L89-F142 HydrophobicContact CD1-CD1 4.25Å; L89-F142 HydrophobicContact CD1-CE1 3.88Å; L89-F142 HydrophobicContact CD1-CE2 4.31Å; L89-F142 HydrophobicContact CD1-CZ 3.91Å; F98-F142 HydrophobicContact CB-CE1 3.8Å; F98-F142 HydrophobicContact CB-CZ 4.25Å; F98-F142 HydrophobicContact CD1-CE1 4.3Å; F98-F142 HydrophobicContact CD2-CD1 4.08Å; F98-F142 AromaticContact CD2-CE1 3.74Å; F98-F142 HydrophobicContact CD2-CE1 3.74Å; F98-F142 HydrophobicContact CE2-CD1 4.47Å; F98-F142 HydrophobicContact CE2-CE1 4.43Å; F98-F142 HydrophobicContact CG-CD1 4.45Å; F98-F142 AromaticContact CG-CE1 3.67Å; F98-F142 HydrophobicContact CG-CE1 3.67Å; A130-F142 CarbonylContact C-O 3.55Å; A130-F142 WeakPolarHBondContact CA-O 3.31Å; A130-F142 WeakPolarHBondContact CB-O 3.46Å; I131-F142 PolarHBondContact N-O 3.14Å; I131-F142 PolarHBondContact O-N 2.97Å; I133-F142 HydrophobicContact CD1-CD2 4.2Å; I133-F142 HydrophobicContact CD1-CE2 4.02Å; Y140-F142 HydrophobicContact CG-CE2 4.47Å; F142-F145 HydrophobicContact CB-CE2 3.52Å; F142-F145 HydrophobicContact CB-CZ 3.73Å; F142-F145 WeakPolarHBondContact O-CE2 3.41Å
143	A	89.6	Confident	89	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	175.2	-176.3	0	0	0	0	0	111.6	C77 A78 L84 N129 F141 F145	C77-A143 CarbonylContact C-O 3.48Å; C77-A143 VanDerWaalsContact CA-O 3.32Å; C77-A143 WeakPolarHBondContact CA-O 3.41Å; C77-A143 VanDerWaalsContact CB-O 3.31Å; C77-A143 WeakPolarHBondContact CB-O 3.38Å; A78-A143 PolarHBondContact N-O 3Å; A78-A143 PolarHBondContact O-N 3.15Å; L84-A143 HydrophobicContact CD2-CB 4.12Å; N129-A143 CarbonylContact O-C 3.38Å; F141-A143 HydrophobicContact CD1-CB 4.37Å; F141-A143 HydrophobicContact CE1-CB 4.1Å; A143-F145 VanDerWaalsContact C-N 3.32Å; A143-F145 PolarHBondContact O-N 3.41Å
144	S	88.3	Confident	88.9	Confident	71 Å²	71	59.7 Å²	59.7	50%	0.497	31%	0.305	S	S	.	.			trans	62.4	30.4	173.6	-52.1	0	0	0	0	115	N129 S146	N129-S144 PolarHBondContact O-N 3.41Å; S144-S146 PolarHBondContact O-N 3.46Å
145	F	88.3	Confident	89.1	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.303	C	S	.	.			trans	-68	127.3	167.9	-68.9	-86.4	0	0	0	110.4	Y75 C77 L89 N129 I131 F142 A143 A147 R148	Y75-F145 HydrophobicContact CG-CD1 4.5Å; Y75-F145 HydrophobicContact CG-CE1 4.34Å; C77-F145 HydrophobicContact CB-CD1 4.2Å; C77-F145 HydrophobicContact CB-CD2 4.44Å; C77-F145 HydrophobicContact CB-CE1 3.89Å; C77-F145 HydrophobicContact CB-CE2 4.15Å; C77-F145 HydrophobicContact CB-CG 4.46Å; C77-F145 HydrophobicContact CB-CZ 3.86Å; L89-F145 HydrophobicContact CD2-CE1 4.37Å; L89-F145 HydrophobicContact CD2-CZ 4.26Å; N129-F145 PolarHBondContact O-N 3.11Å; I131-F145 HydrophobicContact CB-CD2 4.37Å; I131-F145 HydrophobicContact CB-CE2 3.72Å; I131-F145 HydrophobicContact CB-CZ 4.24Å; I131-F145 HydrophobicContact CD1-CD1 4.33Å; I131-F145 HydrophobicContact CD1-CD2 4Å; I131-F145 HydrophobicContact CD1-CE1 4.14Å; I131-F145 HydrophobicContact CD1-CE2 3.79Å; I131-F145 HydrophobicContact CD1-CG 4.27Å; I131-F145 HydrophobicContact CD1-CZ 3.87Å; I131-F145 HydrophobicContact CG1-CD2 3.94Å; I131-F145 HydrophobicContact CG1-CE2 3.74Å; I131-F145 HydrophobicContact CG1-CZ 4.29Å; F142-F145 HydrophobicContact CB-CE2 3.52Å; F142-F145 HydrophobicContact CB-CZ 3.73Å; F142-F145 WeakPolarHBondContact O-CE2 3.41Å; A143-F145 VanDerWaalsContact C-N 3.32Å; A143-F145 PolarHBondContact O-N 3.41Å; F145-A147 VanDerWaalsContact C-N 3.31Å; F145-A147 PolarHBondContact O-N 3.37Å; F145-R148 HydrophobicContact CB-CB 4.25Å
146	S	84.6	Confident	89.1	Confident	105 Å²	105	61.4 Å²	61.4	73%	0.734	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.1	177.1	53	0	0	0	0	113.4	S144	S144-S146 PolarHBondContact O-N 3.46Å
147	A	85.8	Confident	89.4	Confident	48 Å²	48	55.2 Å²	55.2	40%	0.397	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	64.2	178.3	0	0	0	0	0	110.5	F145 E149 K150 S151	F145-A147 VanDerWaalsContact C-N 3.31Å; F145-A147 PolarHBondContact O-N 3.37Å; A147-E149 PolarHBondContact O-N 2.86Å; A147-E149 VanDerWaalsContact O-N 3.07Å; A147-K150 HydrophobicContact CB-CB 4.37Å; A147-K150 PolarHBondContact O-N 3.03Å; A147-K150 VanDerWaalsContact O-N 3.12Å; A147-S151 PolarHBondContact O-N 2.78Å; A147-S151 PolarHBondContact O-OG 2.93Å
148	R	87.9	Confident	89.7	Confident	44 Å²	44	49.3 Å²	49.3	17%	0.166	25%	0.251	C	S	.	.	H	α-helix	trans	-44.3	-48.1	-173.1	-171.1	-152.4	57.3	-168.1	2.1	112.7	E121 P128 A130 I131 F145 S151 Y152	E121-R148 PolarHBondContact O-NH1 2.93Å; P128-R148 WeakPolarHBondContact O-CD 3.38Å; P128-R148 PolarHBondContact O-NE 3.37Å; P128-R148 PolarHBondContact O-NH1 2.86Å; A130-R148 WeakPolarHBondContact O-CD 3.46Å; I131-R148 HydrophobicContact CD1-CG 4.23Å; I131-R148 HydrophobicContact CG1-CG 3.76Å; F145-R148 HydrophobicContact CB-CB 4.25Å; R148-S151 PolarHBondContact O-N 2.78Å; R148-Y152 VanDerWaalsContact O-CB 3.29Å; R148-Y152 WeakPolarHBondContact O-CB 3.27Å; R148-Y152 PolarHBondContact O-N 2.97Å
149	E	86.7	Confident	89.8	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-43	-173.3	-143.1	67.1	-179.3	0	0	112.8	R120 A147 Y152 L153	R120-E149 VanDerWaalsContact CD-OE1 3.25Å; R120-E149 WeakPolarHBondContact CD-OE1 3.38Å; R120-E149 IonicContact CZ-OE1 2.82Å; R120-E149 VanDerWaalsContact CZ-OE1 3.26Å; R120-E149 IonicContact NE-OE1 3.78Å; R120-E149 PolarHBondContact NE-OE1 3.31Å; R120-E149 IonicContact NH1-OE1 2.62Å; R120-E149 PolarHBondContact NH1-OE1 2.87Å; A147-E149 PolarHBondContact O-N 2.86Å; A147-E149 VanDerWaalsContact O-N 3.07Å; E149-Y152 PolarHBondContact O-N 3.5Å; E149-L153 WeakPolarHBondContact O-CB 3.16Å; E149-L153 VanDerWaalsContact O-CG 3.28Å; E149-L153 WeakPolarHBondContact O-CG 3.47Å; E149-L153 PolarHBondContact O-N 2.86Å
150	K	88.6	Confident	89.8	Confident	116 Å²	116	43.2 Å²	43.2	50%	0.504	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-46	174.1	-171.9	177.9	177.9	-176	0	110.4	A147 Y152 L153 S154 Q179	A147-K150 HydrophobicContact CB-CB 4.37Å; A147-K150 PolarHBondContact O-N 3.03Å; A147-K150 VanDerWaalsContact O-N 3.12Å; K150-Y152 PolarHBondContact O-N 2.67Å; K150-L153 PolarHBondContact O-N 2.75Å; K150-S154 WeakPolarHBondContact O-CB 3.47Å; K150-S154 PolarHBondContact O-N 2.92Å; K150-S154 PolarHBondContact O-OG 2.73Å; K150-Q179 PolarHBondContact NZ-O 2.78Å
151	S	91.3	Very high	89.6	Confident	2 Å²	2	43 Å²	43	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-43.3	177.1	-59.3	0	0	0	0	112.6	Y75 A147 R148 V155	Y75-S151 WeakPolarHBondContact CD1-OG 3.33Å; Y75-S151 WeakPolarHBondContact CE1-OG 3.12Å; A147-S151 PolarHBondContact O-N 2.78Å; A147-S151 PolarHBondContact O-OG 2.93Å; R148-S151 PolarHBondContact O-N 2.78Å; S151-V155 WeakPolarHBondContact O-CB 3.39Å; S151-V155 VanDerWaalsContact O-CG2 3.28Å; S151-V155 WeakPolarHBondContact O-CG2 3.35Å; S151-V155 PolarHBondContact O-N 2.76Å
152	Y	91.7	Very high	89.5	Confident	15 Å²	15	41.8 Å²	41.8	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-53.3	176	178.3	-80.1	0	0	0	110.4	M118 R120 I131 R148 E149 K150 S154 V155 F156	M118-Y152 HydrophobicContact CE-CD2 3.66Å; M118-Y152 HydrophobicContact CE-CE2 3.95Å; M118-Y152 HydrophobicContact CE-CG 4.16Å; M118-Y152 HydrophobicContact CG-CD2 4.42Å; M118-Y152 HydrophobicContact CG-CE2 3.84Å; M118-Y152 PolarHBondContact O-OH 3.36Å; M118-Y152 HydrophobicContact SD-CD2 4.43Å; M118-Y152 HydrophobicContact SD-CE2 4.12Å; R120-Y152 HydrophobicContact CG-CD1 4.17Å; R120-Y152 HydrophobicContact CG-CD2 3.35Å; R120-Y152 HydrophobicContact CG-CE1 4.31Å; R120-Y152 HydrophobicContact CG-CE2 3.46Å; R120-Y152 VanDerWaalsContact CG-CE2 3.46Å; R120-Y152 HydrophobicContact CG-CG 3.74Å; R120-Y152 VanDerWaalsContact NE-CE1 3.3Å; I131-Y152 HydrophobicContact CG1-CD2 4.47Å; I131-Y152 HydrophobicContact CG2-CD2 4.27Å; R148-Y152 VanDerWaalsContact O-CB 3.29Å; R148-Y152 WeakPolarHBondContact O-CB 3.27Å; R148-Y152 PolarHBondContact O-N 2.97Å; E149-Y152 PolarHBondContact O-N 3.5Å; K150-Y152 PolarHBondContact O-N 2.67Å; Y152-S154 VanDerWaalsContact C-N 3.33Å; Y152-S154 PolarHBondContact O-N 2.84Å; Y152-V155 PolarHBondContact O-N 3.11Å; Y152-F156 HydrophobicContact CD1-CB 4.21Å; Y152-F156 HydrophobicContact CE1-CB 3.87Å; Y152-F156 HydrophobicContact CE1-CD1 4.48Å; Y152-F156 AromaticContact CE1-CD2 3.8Å; Y152-F156 HydrophobicContact CE1-CD2 3.8Å; Y152-F156 HydrophobicContact CE1-CE2 4.43Å; Y152-F156 AromaticContact CE1-CG 3.83Å; Y152-F156 HydrophobicContact CE1-CG 3.83Å; Y152-F156 AromaticContact CZ-CD2 3.65Å; Y152-F156 WeakPolarHBondContact O-CB 3.48Å; Y152-F156 PolarHBondContact O-N 2.67Å; Y152-F156 VanDerWaalsContact OH-CD2 3.23Å; Y152-F156 WeakPolarHBondContact OH-CD2 3.14Å; Y152-F156 WeakPolarHBondContact OH-CE2 3.42Å
153	L	91.4	Very high	89.2	Confident	95 Å²	95	45.9 Å²	45.9	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-39.4	-176.2	-70.2	169.9	0	0	0	111.9	E149 K150 R157	E149-L153 WeakPolarHBondContact O-CB 3.16Å; E149-L153 VanDerWaalsContact O-CG 3.28Å; E149-L153 WeakPolarHBondContact O-CG 3.47Å; E149-L153 PolarHBondContact O-N 2.86Å; K150-L153 PolarHBondContact O-N 2.75Å; L153-R157 WeakPolarHBondContact O-CB 3.3Å; L153-R157 PolarHBondContact O-N 2.91Å
154	S	91.1	Very high	89	Confident	22 Å²	22	52.2 Å²	52.2	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-48.4	175.6	-65.8	0	0	0	0	112.9	Y75 K150 Y152 R157 I158	Y75-S154 WeakPolarHBondContact OH-CB 3.49Å; Y75-S154 PolarHBondContact OH-OG 2.78Å; K150-S154 WeakPolarHBondContact O-CB 3.47Å; K150-S154 PolarHBondContact O-N 2.92Å; K150-S154 PolarHBondContact O-OG 2.73Å; Y152-S154 VanDerWaalsContact C-N 3.33Å; Y152-S154 PolarHBondContact O-N 2.84Å; S154-R157 PolarHBondContact O-N 2.96Å; S154-I158 PolarHBondContact O-N 3.09Å
155	V	92	Very high	88.6	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-65.2	-40.8	178	172.4	0	0	0	0	111.1	Y75 L91 I96 M118 S151 Y152 I158 W159	Y75-V155 HydrophobicContact CD2-CG2 4.31Å; Y75-V155 HydrophobicContact CE2-CG2 3.87Å; L91-V155 HydrophobicContact CD2-CG2 4.07Å; I96-V155 HydrophobicContact CD1-CG1 3.51Å; I96-V155 HydrophobicContact CG1-CG1 4.47Å; M118-V155 HydrophobicContact CE-CB 3.74Å; M118-V155 HydrophobicContact CE-CG1 3.55Å; M118-V155 HydrophobicContact SD-CG1 4.14Å; S151-V155 WeakPolarHBondContact O-CB 3.39Å; S151-V155 VanDerWaalsContact O-CG2 3.28Å; S151-V155 WeakPolarHBondContact O-CG2 3.35Å; S151-V155 PolarHBondContact O-N 2.76Å; Y152-V155 PolarHBondContact O-N 3.11Å; V155-I158 PolarHBondContact O-N 2.82Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.27Å
156	F	91.4	Very high	88.3	Confident	55 Å²	55	59.1 Å²	59.1	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-39.7	177.6	-173.3	-93.5	0	0	0	112.1	M118 Y152 W159 Q160	M118-F156 HydrophobicContact CE-CB 4.44Å; M118-F156 HydrophobicContact SD-CB 3.98Å; M118-F156 HydrophobicContact SD-CD2 3.99Å; Y152-F156 HydrophobicContact CD1-CB 4.21Å; Y152-F156 HydrophobicContact CE1-CB 3.87Å; Y152-F156 HydrophobicContact CE1-CD1 4.48Å; Y152-F156 AromaticContact CE1-CD2 3.8Å; Y152-F156 HydrophobicContact CE1-CD2 3.8Å; Y152-F156 HydrophobicContact CE1-CE2 4.43Å; Y152-F156 AromaticContact CE1-CG 3.83Å; Y152-F156 HydrophobicContact CE1-CG 3.83Å; Y152-F156 AromaticContact CZ-CD2 3.65Å; Y152-F156 WeakPolarHBondContact O-CB 3.48Å; Y152-F156 PolarHBondContact O-N 2.67Å; Y152-F156 VanDerWaalsContact OH-CD2 3.23Å; Y152-F156 WeakPolarHBondContact OH-CD2 3.14Å; Y152-F156 WeakPolarHBondContact OH-CE2 3.42Å; F156-W159 AromaticContact CD2-CE3 3.78Å; F156-W159 HydrophobicContact CD2-CE3 3.78Å; F156-W159 AromaticContact CD2-CZ3 3.95Å; F156-W159 HydrophobicContact CD2-CZ3 3.95Å; F156-W159 AromaticContact CE2-CE3 4Å; F156-W159 HydrophobicContact CE2-CE3 4Å; F156-W159 AromaticContact CE2-CZ3 3.75Å; F156-W159 HydrophobicContact CE2-CZ3 3.75Å; F156-W159 PolarHBondContact O-N 3.06Å; F156-Q160 HydrophobicContact CD1-CG 4.15Å; F156-Q160 HydrophobicContact CE1-CG 3.96Å; F156-Q160 HydrophobicContact CZ-CG 4.38Å; F156-Q160 WeakPolarHBondContact O-CB 3.31Å; F156-Q160 WeakPolarHBondContact O-CG 3.48Å; F156-Q160 PolarHBondContact O-N 3.38Å
157	R	90.6	Very high	87.9	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-46.6	173.4	177.3	-178.8	172.4	-176.1	-2.8	111.8	L153 S154 Q160 N161 E172	L153-R157 WeakPolarHBondContact O-CB 3.3Å; L153-R157 PolarHBondContact O-N 2.91Å; S154-R157 PolarHBondContact O-N 2.96Å; R157-Q160 PolarHBondContact O-N 3.23Å; R157-N161 WeakPolarHBondContact O-CB 3.34Å; R157-N161 PolarHBondContact O-N 3.14Å; R157-E172 IonicContact CZ-OE2 2.69Å; R157-E172 IonicContact NH2-OE2 2.89Å; R157-E172 PolarHBondContact NH2-OE2 2.71Å
158	I	90.8	Very high	87.6	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-70.5	-36.9	-179.4	-56	-49.2	0	0	0	111	I72 L91 S92 L112 S154 V155 N161 S162 L168 M176	I72-I158 HydrophobicContact CD1-CD1 4Å; I72-I158 HydrophobicContact CD1-CG1 3.94Å; I72-I158 HydrophobicContact CD1-CG2 3.91Å; L91-I158 HydrophobicContact CD1-CB 4.29Å; L91-I158 HydrophobicContact CD1-CG2 4.22Å; L91-I158 HydrophobicContact CD2-CB 4.02Å; L91-I158 HydrophobicContact CD2-CG1 3.73Å; L91-I158 HydrophobicContact CD2-CG2 4.49Å; L91-I158 HydrophobicContact CG-CB 4.41Å; L91-I158 HydrophobicContact CG-CG1 4.44Å; L91-I158 HydrophobicContact CG-CG2 4.38Å; S92-I158 WeakPolarHBondContact O-CG2 3.5Å; L112-I158 HydrophobicContact CD1-CG2 3.72Å; S154-I158 PolarHBondContact O-N 3.09Å; V155-I158 PolarHBondContact O-N 2.82Å; I158-N161 PolarHBondContact O-N 2.86Å; I158-S162 PolarHBondContact O-N 3.08Å; I158-L168 HydrophobicContact CD1-CD1 3.89Å; I158-L168 HydrophobicContact CD1-CD2 4.17Å; I158-L168 HydrophobicContact CD1-CG 4.38Å; I158-M176 HydrophobicContact CD1-CE 3.71Å; I158-M176 HydrophobicContact CD1-SD 3.89Å; I158-M176 HydrophobicContact CG1-CE 4.02Å
159	W	91.6	Very high	87.3	Confident	26 Å²	26	56.7 Å²	56.7	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-48.5	170.7	179.4	42.6	0	0	0	112.4	L112 I115 M118 V155 F156 N161 S162 L163	L112-W159 HydrophobicContact CD2-CB 3.99Å; L112-W159 HydrophobicContact CD2-CG 4.43Å; L112-W159 PolarHBondContact O-NE1 3.3Å; L112-W159 VanDerWaalsContact O-NE1 3.1Å; I115-W159 HydrophobicContact CB-CZ2 4.35Å; I115-W159 HydrophobicContact CG2-CD2 4.26Å; I115-W159 HydrophobicContact CG2-CH2 4.48Å; I115-W159 HydrophobicContact CG2-CZ2 3.78Å; I115-W159 WeakPolarHBondContact O-CZ2 3.31Å; I115-W159 PolarHBondContact O-NE1 3.47Å; M118-W159 HydrophobicContact CB-CE3 4.07Å; M118-W159 HydrophobicContact CB-CH2 4.48Å; M118-W159 HydrophobicContact CB-CZ3 3.83Å; M118-W159 HydrophobicContact SD-CE3 4.37Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.27Å; F156-W159 AromaticContact CD2-CE3 3.78Å; F156-W159 HydrophobicContact CD2-CE3 3.78Å; F156-W159 AromaticContact CD2-CZ3 3.95Å; F156-W159 HydrophobicContact CD2-CZ3 3.95Å; F156-W159 AromaticContact CE2-CE3 4Å; F156-W159 HydrophobicContact CE2-CE3 4Å; F156-W159 AromaticContact CE2-CZ3 3.75Å; F156-W159 HydrophobicContact CE2-CZ3 3.75Å; F156-W159 PolarHBondContact O-N 3.06Å; W159-N161 PolarHBondContact O-N 3.04Å; W159-S162 PolarHBondContact O-N 2.9Å; W159-L163 HydrophobicContact CD2-CD1 4.19Å; W159-L163 HydrophobicContact CZ2-CD1 3.76Å; W159-L163 WeakPolarHBondContact O-CG 3.21Å; W159-L163 PolarHBondContact O-N 3.03Å
160	Q	88.6	Confident	86.8	Confident	89 Å²	89	54.3 Å²	54.3	42%	0.416	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.7	-73.7	-173.6	-63.7	0	0	112.5	F156 R157 S162 L163 L164	F156-Q160 HydrophobicContact CD1-CG 4.15Å; F156-Q160 HydrophobicContact CE1-CG 3.96Å; F156-Q160 HydrophobicContact CZ-CG 4.38Å; F156-Q160 WeakPolarHBondContact O-CB 3.31Å; F156-Q160 WeakPolarHBondContact O-CG 3.48Å; F156-Q160 PolarHBondContact O-N 3.38Å; R157-Q160 PolarHBondContact O-N 3.23Å; Q160-S162 PolarHBondContact O-N 2.75Å; Q160-L163 PolarHBondContact O-N 2.9Å; Q160-L164 WeakPolarHBondContact O-CB 3.45Å; Q160-L164 VanDerWaalsContact O-CG 3.26Å; Q160-L164 WeakPolarHBondContact O-CG 3.23Å; Q160-L164 PolarHBondContact O-N 2.97Å
161	N	88.3	Confident	86.4	Confident	19 Å²	19	53.4 Å²	53.4	10%	0.102	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-47.9	174.4	-85.2	11.5	0	0	0	111.4	R157 I158 W159 L163 L164 D165 K166 L168	R157-N161 WeakPolarHBondContact O-CB 3.34Å; R157-N161 PolarHBondContact O-N 3.14Å; I158-N161 PolarHBondContact O-N 2.86Å; W159-N161 PolarHBondContact O-N 3.04Å; N161-L163 PolarHBondContact O-N 3.35Å; N161-L164 CarbonylContact O-C 3.58Å; N161-L164 PolarHBondContact O-N 3Å; N161-L164 VanDerWaalsContact O-N 3.16Å; N161-D165 PolarHBondContact O-N 3.02Å; N161-D165 VanDerWaalsContact O-N 3.14Å; N161-K166 WeakPolarHBondContact CB-O 3.32Å; N161-K166 PolarHBondContact O-N 3.44Å; N161-L168 WeakPolarHBondContact ND2-CD2 3.26Å
162	S	87.6	Confident	86	Confident	7 Å²	7	55.2 Å²	55.2	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-33.4	179.8	-166.8	0	0	0	0	113	K113 I158 W159 Q160 L164 D165	K113-S162 VanDerWaalsContact CE-O 3.26Å; K113-S162 WeakPolarHBondContact CE-O 3.38Å; I158-S162 PolarHBondContact O-N 3.08Å; W159-S162 PolarHBondContact O-N 2.9Å; Q160-S162 PolarHBondContact O-N 2.75Å; S162-L164 VanDerWaalsContact C-N 3.33Å; S162-D165 PolarHBondContact O-N 3.31Å
163	L	86.4	Confident	85.6	Confident	87 Å²	87	54.6 Å²	54.6	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-71.1	-24.5	172	-73.2	-178	0	0	0	114	W159 Q160 N161	W159-L163 HydrophobicContact CD2-CD1 4.19Å; W159-L163 HydrophobicContact CZ2-CD1 3.76Å; W159-L163 WeakPolarHBondContact O-CG 3.21Å; W159-L163 PolarHBondContact O-N 3.03Å; Q160-L163 PolarHBondContact O-N 2.9Å; N161-L163 PolarHBondContact O-N 3.35Å
164	L	85.4	Confident	85.2	Confident	133 Å²	133	51 Å²	51	70%	0.696	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	5.4	178.3	-67.3	171.5	0	0	0	112.8	Q160 N161 S162 K166	Q160-L164 WeakPolarHBondContact O-CB 3.45Å; Q160-L164 VanDerWaalsContact O-CG 3.26Å; Q160-L164 WeakPolarHBondContact O-CG 3.23Å; Q160-L164 PolarHBondContact O-N 2.97Å; N161-L164 CarbonylContact O-C 3.58Å; N161-L164 PolarHBondContact O-N 3Å; N161-L164 VanDerWaalsContact O-N 3.16Å; S162-L164 VanDerWaalsContact C-N 3.33Å; L164-K166 HydrophobicContact CB-CB 4.47Å; L164-K166 PolarHBondContact O-N 2.89Å; L164-K166 VanDerWaalsContact O-N 3.09Å
165	D	81.1	Confident	84.9	Confident	122 Å²	122	55 Å²	55	65%	0.652	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	27.5	-170.9	-81.7	-58.8	0	0	0	113.7	K113 N161 S162 T167	K113-D165 VanDerWaalsContact NZ-CG 3.35Å; K113-D165 IonicContact NZ-OD1 3.3Å; K113-D165 PolarHBondContact NZ-OD1 3.2Å; K113-D165 IonicContact NZ-OD2 2.6Å; K113-D165 PolarHBondContact NZ-OD2 3.09Å; N161-D165 PolarHBondContact O-N 3.02Å; N161-D165 VanDerWaalsContact O-N 3.14Å; S162-D165 PolarHBondContact O-N 3.31Å; D165-T167 PolarHBondContact O-N 3.19Å
166	K	81.3	Confident	84.7	Confident	95 Å²	95	55.3 Å²	55.3	41%	0.413	28%	0.282	S	S	.	.			trans	-89.1	102.1	176.9	-168.3	-156.5	168.5	-163.3	0	109.9	N161 L164 E172	N161-K166 WeakPolarHBondContact CB-O 3.32Å; N161-K166 PolarHBondContact O-N 3.44Å; L164-K166 HydrophobicContact CB-CB 4.47Å; L164-K166 PolarHBondContact O-N 2.89Å; L164-K166 VanDerWaalsContact O-N 3.09Å; K166-E172 IonicContact NZ-OE1 3.78Å; K166-E172 PolarHBondContact NZ-OE1 3.01Å; K166-E172 IonicContact NZ-OE2 3.83Å; K166-E172 PolarHBondContact NZ-OE2 3.18Å
167	T	77.2	Confident	84.4	Confident	72 Å²	72	52.8 Å²	52.8	44%	0.442	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-59.6	151.9	167.7	50.3	0	0	0	0	111.6	D165 T202	D165-T167 PolarHBondContact O-N 3.19Å; T167-T202 HydrophobicContact CG2-CG2 4.28Å
168	L	78.9	Confident	84.2	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.042	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-74.2	140.8	168	-71.8	170.1	0	0	0	109.3	I72 I158 N161 E172 L173 M176	I72-L168 HydrophobicContact CD1-CD1 3.71Å; I72-L168 HydrophobicContact CG1-CD1 4.44Å; I158-L168 HydrophobicContact CD1-CD1 3.89Å; I158-L168 HydrophobicContact CD1-CD2 4.17Å; I158-L168 HydrophobicContact CD1-CG 4.38Å; N161-L168 WeakPolarHBondContact ND2-CD2 3.26Å; L168-E172 HydrophobicContact CD2-CB 4.06Å; L168-L173 HydrophobicContact CB-CB 4.28Å; L168-L173 HydrophobicContact CD1-CB 4.43Å; L168-L173 HydrophobicContact CD1-CD1 4.04Å; L168-M176 HydrophobicContact CD2-SD 4.43Å
169	T	80.4	Confident	83.9	Confident	67 Å²	67	57.8 Å²	57.8	41%	0.411	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-78.3	149.9	166.4	60.6	0	0	0	0	109.4	P171 E172 L173	T169-P171 VanDerWaalsContact C-CD 3.43Å; T169-P171 VanDerWaalsContact C-N 3.27Å; T169-P171 VanDerWaalsContact O-N 3.15Å; T169-E172 PolarHBondContact O-N 3.36Å; T169-E172 WeakPolarHBondContact OG1-CG 3.05Å; T169-E172 PolarHBondContact OG1-N 3.28Å; T169-L173 PolarHBondContact O-N 3.46Å
170	C	77.8	Confident	83.5	Confident	20 Å²	20	58.9 Å²	58.9	14%	0.135	30%	0.303	C	S	.	.	H	α-helix	trans	-47.1	-43.8	176.9	-60.4	0	0	0	0	113	L173 W174 T199	C170-L173 PolarHBondContact O-N 2.92Å; C170-W174 WeakPolarHBondContact O-CB 3.4Å; C170-W174 PolarHBondContact O-N 3.47Å; C170-T199 VanDerWaalsContact SG-CB 3.57Å
171	P	79.7	Confident	83.3	Confident	96 Å²	96	56 Å²	56	62%	0.623	29%	0.289	S	S	*	.	H	α-helix	trans	-65	-42.1	175.9	-22.4	35.8	0	0	0	114	T169 Q175	T169-P171 VanDerWaalsContact C-CD 3.43Å; T169-P171 VanDerWaalsContact C-N 3.27Å; T169-P171 VanDerWaalsContact O-N 3.15Å; P171-Q175 VanDerWaalsContact O-CB 3.24Å; P171-Q175 WeakPolarHBondContact O-CB 3.32Å; P171-Q175 PolarHBondContact O-N 2.96Å
172	E	82.9	Confident	83	Confident	40 Å²	40	56.5 Å²	56.5	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-44	176.1	-77.7	-175.4	-116.1	0	0	111.1	R157 K166 L168 T169 Q175 M176	R157-E172 IonicContact CZ-OE2 2.69Å; R157-E172 IonicContact NH2-OE2 2.89Å; R157-E172 PolarHBondContact NH2-OE2 2.71Å; K166-E172 IonicContact NZ-OE1 3.78Å; K166-E172 PolarHBondContact NZ-OE1 3.01Å; K166-E172 IonicContact NZ-OE2 3.83Å; K166-E172 PolarHBondContact NZ-OE2 3.18Å; L168-E172 HydrophobicContact CD2-CB 4.06Å; T169-E172 PolarHBondContact O-N 3.36Å; T169-E172 WeakPolarHBondContact OG1-CG 3.05Å; T169-E172 PolarHBondContact OG1-N 3.28Å; E172-Q175 PolarHBondContact O-N 3.44Å; E172-M176 WeakPolarHBondContact O-CG 3.37Å; E172-M176 PolarHBondContact O-N 3.33Å
173	L	84.2	Confident	82.4	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-53.9	177.4	176.6	61.9	0	0	0	111.3	I70 I72 L168 T169 C170 Q175 M176 I177 T199	I70-L173 HydrophobicContact CD1-CD2 3.96Å; I70-L173 HydrophobicContact CG2-CD1 4.5Å; I70-L173 HydrophobicContact CG2-CD2 4.36Å; I72-L173 HydrophobicContact CB-CD1 4.45Å; I72-L173 HydrophobicContact CG1-CD1 3.99Å; I72-L173 HydrophobicContact CG2-CD1 4.05Å; L168-L173 HydrophobicContact CB-CB 4.28Å; L168-L173 HydrophobicContact CD1-CB 4.43Å; L168-L173 HydrophobicContact CD1-CD1 4.04Å; T169-L173 PolarHBondContact O-N 3.46Å; C170-L173 PolarHBondContact O-N 2.92Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.13Å; L173-M176 PolarHBondContact O-N 3.4Å; L173-I177 HydrophobicContact CD1-CD1 3.89Å; L173-I177 HydrophobicContact CD1-CG1 4.48Å; L173-I177 HydrophobicContact CG-CD1 3.95Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 2.88Å; L173-T199 HydrophobicContact CD2-CG2 4.25Å; L173-T199 WeakPolarHBondContact CD2-OG1 3.44Å
174	W	82.1	Confident	82	Confident	19 Å²	19	68.3 Å²	68.3	7%	0.072	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-34.1	177.9	-75.7	119.1	0	0	0	112.9	C170 I177 K178 L185 L187 M192 L195	C170-W174 WeakPolarHBondContact O-CB 3.4Å; C170-W174 PolarHBondContact O-N 3.47Å; W174-I177 HydrophobicContact CE3-CD1 4.25Å; W174-I177 HydrophobicContact CZ3-CD1 4.49Å; W174-K178 WeakPolarHBondContact O-CB 3.39Å; W174-K178 VanDerWaalsContact O-CG 3.22Å; W174-K178 WeakPolarHBondContact O-CG 3.49Å; W174-K178 PolarHBondContact O-N 2.6Å; W174-L185 HydrophobicContact CE3-CD1 3.87Å; W174-L185 HydrophobicContact CZ3-CD1 3.63Å; W174-L187 HydrophobicContact CH2-CD1 3.59Å; W174-L187 HydrophobicContact CZ3-CD1 3.79Å; W174-M192 HydrophobicContact CH2-CB 4.42Å; W174-M192 HydrophobicContact CH2-CG 3.92Å; W174-M192 HydrophobicContact CZ2-CB 4.38Å; W174-M192 HydrophobicContact CZ2-CG 3.65Å; W174-L195 HydrophobicContact CH2-CB 4.15Å; W174-L195 HydrophobicContact CH2-CD1 3.61Å; W174-L195 HydrophobicContact CZ2-CB 3.75Å; W174-L195 HydrophobicContact CZ2-CD1 4.12Å
175	Q	85.1	Confident	81.6	Confident	106 Å²	106	62.6 Å²	62.6	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-65.4	-45	174.6	-175.9	178.6	3.4	0	0	111.3	P171 E172 L173 K178 Q179	P171-Q175 VanDerWaalsContact O-CB 3.24Å; P171-Q175 WeakPolarHBondContact O-CB 3.32Å; P171-Q175 PolarHBondContact O-N 2.96Å; E172-Q175 PolarHBondContact O-N 3.44Å; L173-Q175 VanDerWaalsContact C-N 3.3Å; L173-Q175 PolarHBondContact O-N 3.13Å; Q175-K178 PolarHBondContact O-N 3.47Å; Q175-Q179 HydrophobicContact CG-CG 4.47Å; Q175-Q179 WeakPolarHBondContact O-CB 3.31Å; Q175-Q179 VanDerWaalsContact O-CG 3.27Å; Q175-Q179 WeakPolarHBondContact O-CG 3.49Å; Q175-Q179 PolarHBondContact O-N 3.15Å
176	M	86.3	Confident	81.3	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-41.9	177.7	-74.1	-172.3	59.8	0	0	112.3	I72 L73 I158 L168 E172 L173 Q179 H180	I72-M176 HydrophobicContact CG2-CB 4.12Å; I72-M176 HydrophobicContact CG2-CE 4.27Å; L73-M176 HydrophobicContact CD1-CE 3.64Å; I158-M176 HydrophobicContact CD1-CE 3.71Å; I158-M176 HydrophobicContact CD1-SD 3.89Å; I158-M176 HydrophobicContact CG1-CE 4.02Å; L168-M176 HydrophobicContact CD2-SD 4.43Å; E172-M176 WeakPolarHBondContact O-CG 3.37Å; E172-M176 PolarHBondContact O-N 3.33Å; L173-M176 PolarHBondContact O-N 3.4Å; M176-Q179 PolarHBondContact O-N 2.92Å; M176-H180 PolarHBondContact O-N 3.32Å
177	I	87	Confident	80.9	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-49.7	174.9	-67.3	164.4	0	0	0	110.2	Y51 L173 W174 Q179 H180 Y181 L185	Y51-I177 HydrophobicContact CD1-CG2 4.26Å; Y51-I177 HydrophobicContact CD2-CG2 3.8Å; Y51-I177 HydrophobicContact CE1-CD1 4.49Å; Y51-I177 HydrophobicContact CE1-CG2 4.38Å; Y51-I177 HydrophobicContact CE2-CD1 4.11Å; Y51-I177 HydrophobicContact CE2-CG1 4.16Å; Y51-I177 HydrophobicContact CE2-CG2 3.92Å; Y51-I177 HydrophobicContact CG-CG2 3.97Å; L173-I177 HydrophobicContact CD1-CD1 3.89Å; L173-I177 HydrophobicContact CD1-CG1 4.48Å; L173-I177 HydrophobicContact CG-CD1 3.95Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 2.88Å; W174-I177 HydrophobicContact CE3-CD1 4.25Å; W174-I177 HydrophobicContact CZ3-CD1 4.49Å; I177-Q179 VanDerWaalsContact C-N 3.34Å; I177-Q179 PolarHBondContact O-N 3.19Å; I177-H180 PolarHBondContact O-N 3.49Å; I177-Y181 HydrophobicContact CG2-CD2 3.92Å; I177-Y181 HydrophobicContact CG2-CE2 4.46Å; I177-Y181 WeakPolarHBondContact O-CD2 3.27Å; I177-Y181 PolarHBondContact O-N 3.05Å; I177-L185 HydrophobicContact CG2-CD1 3.78Å; I177-L185 HydrophobicContact CG2-CD2 3.74Å; I177-L185 HydrophobicContact CG2-CG 4.44Å
178	K	85.1	Confident	80.6	Confident	81 Å²	81	56.8 Å²	56.8	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-35.2	179.9	-71.5	169.7	-177.1	177.3	0	113	W174 Q175 H180 G182 Y183 L185	W174-K178 WeakPolarHBondContact O-CB 3.39Å; W174-K178 VanDerWaalsContact O-CG 3.22Å; W174-K178 WeakPolarHBondContact O-CG 3.49Å; W174-K178 PolarHBondContact O-N 2.6Å; Q175-K178 PolarHBondContact O-N 3.47Å; K178-H180 PolarHBondContact O-N 3.44Å; K178-G182 WeakPolarHBondContact CA-O 3.49Å; K178-G182 CarbonylContact O-C 3.53Å; K178-G182 VanDerWaalsContact O-CA 3.27Å; K178-G182 WeakPolarHBondContact O-CA 3.39Å; K178-G182 PolarHBondContact O-N 2.88Å; K178-Y183 HydrophobicContact CD-CD1 4.29Å; K178-Y183 HydrophobicContact CD-CE1 4.48Å; K178-L185 HydrophobicContact CG-CD1 4.19Å
179	Q	84.1	Confident	80	Confident	113 Å²	113	62 Å²	62	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-71.9	-4.8	173.9	-74.8	-179.2	-10	0	0	114.7	K150 Q175 M176 I177	K150-Q179 PolarHBondContact NZ-O 2.78Å; Q175-Q179 HydrophobicContact CG-CG 4.47Å; Q175-Q179 WeakPolarHBondContact O-CB 3.31Å; Q175-Q179 VanDerWaalsContact O-CG 3.27Å; Q175-Q179 WeakPolarHBondContact O-CG 3.49Å; Q175-Q179 PolarHBondContact O-N 3.15Å; M176-Q179 PolarHBondContact O-N 2.92Å; I177-Q179 VanDerWaalsContact C-N 3.34Å; I177-Q179 PolarHBondContact O-N 3.19Å
180	H	84.1	Confident	79.3	Confident	49 Å²	49	65.4 Å²	65.4	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-114.7	-44.2	180	-170.9	-92.7	0	0	0	113.2	L73 D74 Y75 M176 I177 K178	L73-H180 HydrophobicContact CD2-CB 3.35Å; D74-H180 PolarHBondContact O-CE1 3.05Å; Y75-H180 AromaticContact CD1-NE2 3.91Å; Y75-H180 AromaticContact CE1-CD2 3.97Å; Y75-H180 AromaticContact CE1-NE2 3.49Å; Y75-H180 WeakPolarHBondContact CE1-NE2 3.5Å; M176-H180 PolarHBondContact O-N 3.32Å; I177-H180 PolarHBondContact O-N 3.49Å; K178-H180 PolarHBondContact O-N 3.44Å
181	Y	83.7	Confident	78.9	Confident	28 Å²	28	67.3 Å²	67.3	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-105.1	-11.7	-176.7	-57.8	-83.9	0	0	0	114	Y51 R54 D74 I177	Y51-Y181 AromaticContact CD2-CD2 3.77Å; Y51-Y181 HydrophobicContact CD2-CD2 3.77Å; Y51-Y181 AromaticContact CD2-CE2 3.54Å; Y51-Y181 HydrophobicContact CD2-CE2 3.54Å; Y51-Y181 HydrophobicContact CD2-CG 4.37Å; Y51-Y181 AromaticContact CD2-CZ 3.96Å; Y51-Y181 HydrophobicContact CE2-CE2 4.17Å; Y51-Y181 HydrophobicContact CG-CD2 4.39Å; R54-Y181 HydrophobicContact CG-CE1 4.26Å; D74-Y181 WeakPolarHBondContact CB-OH 3.15Å; D74-Y181 PolarHBondContact N-OH 2.67Å; D74-Y181 WeakPolarHBondContact OD1-CE1 3.35Å; D74-Y181 PolarHBondContact OD1-OH 3.25Å; I177-Y181 HydrophobicContact CG2-CD2 3.92Å; I177-Y181 HydrophobicContact CG2-CE2 4.46Å; I177-Y181 WeakPolarHBondContact O-CD2 3.27Å; I177-Y181 PolarHBondContact O-N 3.05Å
182	G	82.4	Confident	78.2	Confident	30 Å²	30	66.2 Å²	66.2	31%	0.309	33%	0.329	S	S	.	.			trans	93.4	-171.6	-173.7	0	0	0	0	0	113.1	K178 L185	K178-G182 WeakPolarHBondContact CA-O 3.49Å; K178-G182 CarbonylContact O-C 3.53Å; K178-G182 VanDerWaalsContact O-CA 3.27Å; K178-G182 WeakPolarHBondContact O-CA 3.39Å; K178-G182 PolarHBondContact O-N 2.88Å; G182-L185 VanDerWaalsContact O-CD2 3.28Å; G182-L185 WeakPolarHBondContact O-CD2 3.38Å
183	Y	75.9	Confident	77.3	Confident	209 Å²	209	69.8 Å²	69.8	82%	0.82	35%	0.346	S	S	*	.	S	Bend	trans	-82.9	-27.1	-178.2	-67.4	-77.1	0	0	0	113.7	K178 L185	K178-Y183 HydrophobicContact CD-CD1 4.29Å; K178-Y183 HydrophobicContact CD-CE1 4.48Å; Y183-L185 PolarHBondContact O-N 3.03Å
184	D	76.3	Confident	76.5	Confident	133 Å²	133	75 Å²	75	71%	0.711	37%	0.374	S	S	*	.			trans	-85.9	97.3	172	-176.9	7.2	0	0	0	110.3	G186	D184-G186 PolarHBondContact OD1-N 2.78Å
185	L	77.8	Confident	75.7	Confident	13 Å²	13	75.3 Å²	75.3	7%	0.068	38%	0.377	C	S	.	.			trans	-90.3	-7.3	179.1	-58.8	-178.8	0	0	0	112.8	Y51 K52 W174 I177 K178 G182 Y183 L187	Y51-L185 HydrophobicContact CD1-CB 4.3Å; Y51-L185 HydrophobicContact CG-CD2 4.41Å; Y51-L185 PolarHBondContact N-O 3.49Å; K52-L185 PolarHBondContact N-O 2.91Å; W174-L185 HydrophobicContact CE3-CD1 3.87Å; W174-L185 HydrophobicContact CZ3-CD1 3.63Å; I177-L185 HydrophobicContact CG2-CD1 3.78Å; I177-L185 HydrophobicContact CG2-CD2 3.74Å; I177-L185 HydrophobicContact CG2-CG 4.44Å; K178-L185 HydrophobicContact CG-CD1 4.19Å; G182-L185 VanDerWaalsContact O-CD2 3.28Å; G182-L185 WeakPolarHBondContact O-CD2 3.38Å; Y183-L185 PolarHBondContact O-N 3.03Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 HydrophobicContact CB-CD1 4.22Å; L185-L187 HydrophobicContact CB-CG 4.22Å; L185-L187 PolarHBondContact O-N 2.89Å
186	G	74.8	Confident	74.6	Confident	32 Å²	32	73.6 Å²	73.6	33%	0.33	37%	0.369	S	S	.	.			trans	62.6	26.3	-176.3	0	0	0	0	0	115.1	K52 D184	K52-G186 WeakPolarHBondContact CD-O 3.3Å; D184-G186 PolarHBondContact OD1-N 2.78Å
187	L	74	Confident	73.3	Confident	42 Å²	42	77.7 Å²	77.7	22%	0.22	39%	0.394	C	S	.	.			trans	-99.2	147.1	178.7	-64.2	173.1	0	0	0	111.5	Y51 K52 W174 L185 E191 L195	Y51-L187 HydrophobicContact CD1-CD1 3.84Å; Y51-L187 HydrophobicContact CD1-CD2 4.29Å; Y51-L187 HydrophobicContact CD1-CG 4.18Å; Y51-L187 HydrophobicContact CE1-CD1 3.94Å; K52-L187 HydrophobicContact CB-CD2 3.9Å; K52-L187 HydrophobicContact CD-CD2 4.38Å; K52-L187 HydrophobicContact CG-CD2 4.22Å; W174-L187 HydrophobicContact CH2-CD1 3.59Å; W174-L187 HydrophobicContact CZ3-CD1 3.79Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 HydrophobicContact CB-CD1 4.22Å; L185-L187 HydrophobicContact CB-CG 4.22Å; L185-L187 PolarHBondContact O-N 2.89Å; L187-E191 HydrophobicContact CB-CB 4.39Å; L187-E191 HydrophobicContact CD2-CB 4.23Å; L187-L195 HydrophobicContact CD1-CD1 3.99Å
188	N	71	Confident	72	Confident	92 Å²	92	80 Å²	80	49%	0.492	41%	0.406	S	S	.	.			trans	-78.4	159.8	167.3	-63	-1.2	0	0	0	110.8	E190 E191 M192	N188-E190 VanDerWaalsContact C-N 3.31Å; N188-E190 PolarHBondContact O-N 3.02Å; N188-E191 HydrophobicContact CB-CG 4.12Å; N188-E191 PolarHBondContact N-OE2 3.37Å; N188-E191 WeakPolarHBondContact O-CB 3.06Å; N188-E191 PolarHBondContact O-N 2.68Å; N188-M192 PolarHBondContact O-N 3.44Å
189	N	66.2	Low	70.6	Confident	119 Å²	119	76.7 Å²	76.7	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-54.5	-45.9	176.3	-70.1	-1.8	0	0	0	112.2	E191 M192 E193	N189-E191 PolarHBondContact O-N 3.19Å; N189-M192 WeakPolarHBondContact O-CB 3.39Å; N189-M192 PolarHBondContact O-N 3.48Å; N189-M192 VanDerWaalsContact O-N 3.11Å; N189-E193 WeakPolarHBondContact O-CG 3.37Å; N189-E193 PolarHBondContact O-N 2.96Å
190	E	64.8	Low	69.3	Low	138 Å²	138	76.7 Å²	76.7	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-57.1	-35.5	176	-62.7	167.5	-168.6	0	0	112.3	N188 N194	N188-E190 VanDerWaalsContact C-N 3.31Å; N188-E190 PolarHBondContact O-N 3.02Å; E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 2.79Å; E190-N194 PolarHBondContact O-ND2 2.86Å
191	E	69.2	Low	67.7	Low	59 Å²	59	77.5 Å²	77.5	28%	0.276	40%	0.404	S	S	.	.	H	α-helix	trans	-77.8	-31.7	179.7	-61.5	174.7	144.8	0	0	111.6	K52 L187 N188 N189 L195	K52-E191 VanDerWaalsContact CE-OE1 3.29Å; K52-E191 WeakPolarHBondContact CE-OE1 3.48Å; K52-E191 IonicContact NZ-OE1 3.37Å; K52-E191 PolarHBondContact NZ-OE1 3.35Å; K52-E191 IonicContact NZ-OE2 2.77Å; K52-E191 PolarHBondContact NZ-OE2 2.88Å; L187-E191 HydrophobicContact CB-CB 4.39Å; L187-E191 HydrophobicContact CD2-CB 4.23Å; N188-E191 HydrophobicContact CB-CG 4.12Å; N188-E191 PolarHBondContact N-OE2 3.37Å; N188-E191 WeakPolarHBondContact O-CB 3.06Å; N188-E191 PolarHBondContact O-N 2.68Å; N189-E191 PolarHBondContact O-N 3.19Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.35Å
192	M	66.2	Low	66	Low	73 Å²	73	78.4 Å²	78.4	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-68.9	-38.7	172.1	-172.5	173.1	62.2	0	0	111.7	W174 N188 N189 Q196	W174-M192 HydrophobicContact CH2-CB 4.42Å; W174-M192 HydrophobicContact CH2-CG 3.92Å; W174-M192 HydrophobicContact CZ2-CB 4.38Å; W174-M192 HydrophobicContact CZ2-CG 3.65Å; N188-M192 PolarHBondContact O-N 3.44Å; N189-M192 WeakPolarHBondContact O-CB 3.39Å; N189-M192 PolarHBondContact O-N 3.48Å; N189-M192 VanDerWaalsContact O-N 3.11Å; M192-Q196 WeakPolarHBondContact O-CG 3.13Å; M192-Q196 PolarHBondContact O-N 2.95Å
193	E	63.8	Low	64.2	Low	116 Å²	116	79.2 Å²	79.2	54%	0.542	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-46.1	173.8	-72.3	172.2	-169.5	0	0	111.7	N189 L195 Q196 V197	N189-E193 WeakPolarHBondContact O-CG 3.37Å; N189-E193 PolarHBondContact O-N 2.96Å; E193-L195 VanDerWaalsContact C-N 3.26Å; E193-L195 PolarHBondContact O-N 3.03Å; E193-Q196 WeakPolarHBondContact O-CB 3.39Å; E193-Q196 PolarHBondContact O-N 2.81Å; E193-V197 PolarHBondContact O-N 2.83Å
194	N	66.7	Low	62.5	Low	111 Å²	111	76.8 Å²	76.8	59%	0.594	42%	0.417	S	S	*	.	H	α-helix	trans	-58.3	-36.4	176.8	-86.2	-75.7	0	0	0	112.8	E190 L198	E190-N194 WeakPolarHBondContact O-CB 3.41Å; E190-N194 PolarHBondContact O-N 2.79Å; E190-N194 PolarHBondContact O-ND2 2.86Å; N194-L198 WeakPolarHBondContact O-CB 3.32Å; N194-L198 PolarHBondContact O-N 2.94Å
195	L	65.8	Low	60.4	Low	26 Å²	26	76.2 Å²	76.2	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-70.4	-29.9	175.5	-78.1	166.7	0	0	0	113.2	Y51 I70 W174 L187 E191 E193 T199	Y51-L195 HydrophobicContact CE1-CD1 4.16Å; I70-L195 HydrophobicContact CD1-CD2 4.07Å; I70-L195 HydrophobicContact CG1-CD2 4.07Å; I70-L195 HydrophobicContact CG2-CD2 3.93Å; W174-L195 HydrophobicContact CH2-CB 4.15Å; W174-L195 HydrophobicContact CH2-CD1 3.61Å; W174-L195 HydrophobicContact CZ2-CB 3.75Å; W174-L195 HydrophobicContact CZ2-CD1 4.12Å; L187-L195 HydrophobicContact CD1-CD1 3.99Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.35Å; E193-L195 VanDerWaalsContact C-N 3.26Å; E193-L195 PolarHBondContact O-N 3.03Å; L195-T199 PolarHBondContact O-N 2.68Å; L195-T199 PolarHBondContact O-OG1 2.9Å
196	Q	60.8	Low	58.4	Low	70 Å²	70	80.6 Å²	80.6	33%	0.327	45%	0.45	S	S	.	.	H	α-helix	trans	-69.7	-49.6	172.6	-69.2	170	5.5	0	0	110.7	M192 E193 L198 T199 E200	M192-Q196 WeakPolarHBondContact O-CG 3.13Å; M192-Q196 PolarHBondContact O-N 2.95Å; E193-Q196 WeakPolarHBondContact O-CB 3.39Å; E193-Q196 PolarHBondContact O-N 2.81Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 2.88Å; Q196-T199 PolarHBondContact O-N 2.83Å; Q196-E200 WeakPolarHBondContact O-CG 3.34Å; Q196-E200 PolarHBondContact O-N 2.86Å
197	V	59	Low	56.6	Low	95 Å²	95	86.4 Å²	86.4	58%	0.576	47%	0.473	S	S	*	.	H	α-helix	trans	-57.6	-41	178.2	174.4	0	0	0	0	111.9	E193 E200 S201	E193-V197 PolarHBondContact O-N 2.83Å; V197-E200 PolarHBondContact O-N 2.92Å; V197-S201 PolarHBondContact O-N 3.4Å
198	L	60.7	Low	54.6	Low	51 Å²	51	93.3 Å²	93.3	27%	0.267	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-44.6	179	-164.4	63.6	0	0	0	111.7	I70 N194 Q196 S201 T202	I70-L198 HydrophobicContact CD1-CB 4.41Å; I70-L198 HydrophobicContact CD1-CD2 4.23Å; I70-L198 HydrophobicContact CG1-CD2 3.91Å; N194-L198 WeakPolarHBondContact O-CB 3.32Å; N194-L198 PolarHBondContact O-N 2.94Å; Q196-L198 VanDerWaalsContact C-N 3.29Å; Q196-L198 PolarHBondContact O-N 2.88Å; L198-S201 PolarHBondContact O-N 3.28Å; L198-S201 PolarHBondContact O-OG 3.39Å; L198-T202 PolarHBondContact O-N 3.1Å; L198-T202 PolarHBondContact O-OG1 3.03Å
199	T	55.8	Low	52.7	Low	12 Å²	12	98.5 Å²	98.5	7%	0.074	53%	0.525	C	S	.	.	H	α-helix	trans	-64.4	-40.7	178	-48.7	0	0	0	0	111.7	I70 C170 L173 L195 Q196	I70-T199 VanDerWaalsContact CD1-OG1 3.28Å; I70-T199 WeakPolarHBondContact CD1-OG1 3.1Å; C170-T199 VanDerWaalsContact SG-CB 3.57Å; L173-T199 HydrophobicContact CD2-CG2 4.25Å; L173-T199 WeakPolarHBondContact CD2-OG1 3.44Å; L195-T199 PolarHBondContact O-N 2.68Å; L195-T199 PolarHBondContact O-OG1 2.9Å; Q196-T199 PolarHBondContact O-N 2.83Å
200	E	55.6	Low	51.1	Low	113 Å²	113	101.5 Å²	101.5	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-33.8	178.1	-72	176	-169.3	0	0	112.7	Q196 V197 T202 G203	Q196-E200 WeakPolarHBondContact O-CG 3.34Å; Q196-E200 PolarHBondContact O-N 2.86Å; V197-E200 PolarHBondContact O-N 2.92Å; E200-T202 PolarHBondContact O-N 3.28Å; E200-G203 PolarHBondContact O-N 2.79Å
201	S	51.2	Low	49.3	Very low	66 Å²	66	104.4 Å²	104.4	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178.5	76.3	0	0	0	0	113.4	V197 L198 G203 T205	V197-S201 PolarHBondContact O-N 3.4Å; L198-S201 PolarHBondContact O-N 3.28Å; L198-S201 PolarHBondContact O-OG 3.39Å; S201-G203 PolarHBondContact O-N 2.9Å; S201-T205 PolarHBondContact O-OG1 2.82Å
202	T	47.5	Very low	47.4	Very low	47 Å²	47	109 Å²	109	29%	0.288	57%	0.568	S	S	.	*	H	α-helix	trans	-64.8	-29	176.2	-53.9	0	0	0	0	112	T167 L198 E200 Q204 T205	T167-T202 HydrophobicContact CG2-CG2 4.28Å; L198-T202 PolarHBondContact O-N 3.1Å; L198-T202 PolarHBondContact O-OG1 3.03Å; E200-T202 PolarHBondContact O-N 3.28Å; T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 2.98Å; T202-T205 PolarHBondContact O-OG1 2.86Å
203	G	44.4	Very low	45.5	Very low	47 Å²	47	111.1 Å²	111.1	49%	0.485	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.9	-14.1	-176.7	0	0	0	0	0	115.7	E200 S201	E200-G203 PolarHBondContact O-N 2.79Å; S201-G203 PolarHBondContact O-N 2.9Å
204	Q	40.7	Very low	43.7	Very low	158 Å²	158	109.9 Å²	109.9	74%	0.738	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-8.6	-171.4	-61.4	-169.6	7.2	0	0	114.7	T202 S206	T202-Q204 VanDerWaalsContact C-N 3.33Å; T202-Q204 PolarHBondContact O-N 2.98Å; Q204-S206 VanDerWaalsContact C-N 3.31Å; Q204-S206 PolarHBondContact O-N 2.96Å
205	T	33.5	Very low	41.9	Very low	120 Å²	120	109.6 Å²	109.6	74%	0.736	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-1.6	-164.8	-11.9	0	0	0	0	115.7	S201 T202	S201-T205 PolarHBondContact O-OG1 2.82Å; T202-T205 PolarHBondContact O-OG1 2.86Å
206	S	34.5	Very low	40.1	Very low	105 Å²	105	115.2 Å²	115.2	73%	0.734	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-13.6	-174.9	65.1	0	0	0	0	115.8	Q204	Q204-S206 VanDerWaalsContact C-N 3.31Å; Q204-S206 PolarHBondContact O-N 2.96Å
207	L	37.3	Very low	38.7	Very low	155 Å²	155	120.6 Å²	120.6	81%	0.812	67%	0.668	S	S	*	*	S	Bend	trans	-131.5	44	-173	-74	179.1	0	0	0	114.7
208	Q	31.9	Very low	37.2	Very low	186 Å²	186	119.5 Å²	119.5	87%	0.869	68%	0.676	S	S	*	*			trans	-148.5	26.3	168.5	-131.4	158.2	97.3	0	0	118	K210	Q208-K210 VanDerWaalsContact C-N 3.28Å; Q208-K210 PolarHBondContact O-N 3.08Å
209	Q	32.2	Very low	35.6	Very low	202 Å²	202	126 Å²	126	94%	0.944	71%	0.711	S	S	*	*			trans	-88.9	51.2	168.6	-158.1	176.7	3.5	0	0	113.3
210	K	32.4	Very low	34.2	Very low	181 Å²	181	129 Å²	129	79%	0.787	74%	0.744	S	S	*	*			trans	-159.5	80.8	166.3	-151	174.4	-170.5	178.4	0	113.9	Q208	Q208-K210 VanDerWaalsContact C-N 3.28Å; Q208-K210 PolarHBondContact O-N 3.08Å
211	F	25.8	Very low	32.8	Very low	200 Å²	200	135.1 Å²	135.1	88%	0.877	76%	0.762	S	S	*	*			trans	-176.6	143.1	131.3	-98.2	-67.2	0	0	0	109.2
212	I	30.4	Very low	32.2	Very low	156 Å²	156	136.4 Å²	136.4	80%	0.8	77%	0.769	S	S	*	*			trans	-124.1	147.4	179.5	-55.4	175.6	0	0	0	107.9
213	S	24.9	Very low	31.2	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	80%	0.797	S	S	*	*			trans	79.7	133.1	178.2	-24.4	0	0	0	0	113.2
214	A	27.2	Very low	30.3	Very low	91 Å²	91	151.4 Å²	151.4	75%	0.752	81%	0.813	S	S	*	*			cis	-163.3	157.9	35.8	0	0	0	0	0	112.9
215	A	28.7	Very low	29.9	Very low	105 Å²	105	149.9 Å²	149.9	87%	0.868	82%	0.818	S	S	*	*			trans	55.2	162.6	155.1	0	0	0	0	0	120.5
216	D	28.3	Very low	29.4	Very low	143 Å²	143	150.6 Å²	150.6	77%	0.765	82%	0.817	S	S	*	*			cis	-173.7	156.4	-38	-167.9	15.9	0	0	0	107.2
217	E	30.5	Very low	28.9	Very low	183 Å²	183	150.6 Å²	150.6	86%	0.855	82%	0.817	S	S	*	*			trans	57	171.6	170	-72.9	-90.1	103.1	0	0	118.6
218	G	27.6	Very low	28.3	Very low	73 Å²	73	150.4 Å²	150.4	75%	0.753	82%	0.816	S	S	*	*			trans	121.6	61	155.4	0	0	0	0	0	120.5
219	L	27.8	Very low	28	Very low	188 Å²	188	148.7 Å²	148.7	98%	0.984	81%	0.812	S	S	*	*			trans	-45	131.4	164.2	172.9	72.2	0	0	0	115.1
220	G	26.2	Very low	27.7	Very low	75 Å²	75	145.8 Å²	145.8	77%	0.773	80%	0.802	S	S	*	*			trans	171	132	163.3	0	0	0	0	0	119
221	R	25.4	Very low	27.4	Very low	240 Å²	240	142.6 Å²	142.6	91%	0.906	80%	0.8	S	S	*	*			trans	-157.3	151.3	169	-164.9	-116.4	-175.5	174.4	1.3	107.7
222	P	39.8	Very low	27.4	Very low	94 Å²	94	139 Å²	139	61%	0.61	79%	0.794	S	S	*	*			cis	-116.2	-179.3	-12.9	36.6	-20.7	0	0	0	113.1
223	E	26.3	Very low	27.3	Very low	187 Å²	187	137.2 Å²	137.2	87%	0.874	79%	0.79	S	S	*	*				-177.7	167.1	117.5	-102	177.2	-165.8	0	0	114
224	R	25.5	Very low	27.2	Very low	221 Å²	221	140.4 Å²	140.4	83%	0.834	79%	0.792	S	S	*	*			trans	-135.1	140	171.5	-116.9	-176.6	-176.8	166.4	1	106.1
225	P	31	Very low	27.3	Very low	127 Å²	127	144.8 Å²	144.8	83%	0.825	80%	0.797	S	S	*	*				-143	-164.2	96.6	37	-20.5	0	0	0	113.8
226	N	23.8	Very low	27.2	Very low	135 Å²	135	145.4 Å²	145.4	72%	0.722	79%	0.789	S	S	*	*			trans	-101.4	162.4	-158.6	-62.6	-24.3	0	0	0	116.1
227	S	24.3	Very low	27.8	Very low	105 Å²	105	143.9 Å²	143.9	73%	0.734	79%	0.787	S	S	*	*			trans	89.3	165.8	138.6	77.7	0	0	0	0	120.9
228	L	24.5	Very low	27.7	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	78%	0.781	S	S	*	*			trans	78.2	136.4	-175.4	-45.2	-179.5	0	0	0	115
229	L	24.5	Very low	27.6	Very low	150 Å²	150	146.2 Å²	146.2	79%	0.785	78%	0.782	S	S	*	*			cis	-158.2	175.3	-12	-123.8	173.9	0	0	0	111.9
230	L	26.3	Very low	27.4	Very low	141 Å²	141	141.1 Å²	141.1	74%	0.738	76%	0.763	S	S	*	*			trans	-92.3	166.8	175.2	-68.4	162.4	0	0	0	112.8
231	P	27.4	Very low	27.3	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	76%	0.759	S	S	*	*				-109.8	136.5	129.6	34.2	-28.8	0	0	0	109.9
232	V	25.6	Very low	27.5	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	75%	0.752	S	S	*	*			cis	69.4	110.8	44.2	-172.5	0	0	0	0	110.5
233	V	27.4	Very low	27.8	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	75%	0.754	S	S	*	*				-159	153.9	84.1	164.1	0	0	0	0	106.5
234	E	23.6	Very low	27.7	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	76%	0.755	S	S	*	*			cis	-145.4	-166	36.6	-150.4	141.9	-128.6	0	0	114.6
235	H	29.3	Very low	27.6	Very low	183 Å²	183	130.3 Å²	130.3	85%	0.847	75%	0.752	S	S	*	*			trans	-114.4	156.9	-149.9	-103.6	-97.9	0	0	0	118.9
236	V	25.9	Very low	27.7	Very low	117 Å²	117	133.5 Å²	133.5	71%	0.709	76%	0.755	S	S	*	*			trans	-82.1	170.4	164.1	-146.2	0	0	0	0	111
237	P	40.4	Very low	27.7	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	77%	0.766	S	S	*	*				-150.1	170.4	105.5	40.8	-25.5	0	0	0	114.1
238	L	29	Very low	27.9	Very low	139 Å²	139	139.4 Å²	139.4	73%	0.728	77%	0.769	S	S	*	*			cis	-112.2	-127.5	-7.6	-66.9	82	0	0	0	108.7
239	Q	25	Very low	28.7	Very low	165 Å²	165	138 Å²	138	77%	0.771	77%	0.769	S	S	*	*			cis	-157.5	-163.3	-8.5	-143.2	159.7	-30.8	0	0	112.7
240	S	24.9	Very low	29.2	Very low	82 Å²	82	135.7 Å²	135.7	57%	0.573	77%	0.765	S	S	*	*			trans	-83.4	152.7	-173.2	50.2	0	0	0	0	114.3
241	S	24.1	Very low	29.8	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	77%	0.766	S	S	*	*			cis	70.5	150.5	39.9	92.3	0	0	0	0	113.3
242	T	28.2	Very low	29.6	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	77%	0.772	S	S	*	*			cis	-154.9	-157.6	26.1	-18.7	0	0	0	0	111.1
243	P	46.2	Very low	29.5	Very low	101 Å²	101	136.4 Å²	136.4	66%	0.656	77%	0.771	S	S	*	*			trans	-134.9	-144.8	-139.8	44.3	-19.7	0	0	0	116.5
244	Q	24.3	Very low	29.6	Very low	192 Å²	192	136 Å²	136	90%	0.897	77%	0.773	S	S	*	*			trans	74.9	158.2	169.6	-73	162.4	-37.3	0	0	117
245	G	24.6	Very low	30.6	Very low	73 Å²	73	132.6 Å²	132.6	75%	0.753	77%	0.766	S	S	*	*			cis	-162.9	-169.9	2.5	0	0	0	0	0	112.5
246	E	31.8	Very low	30.5	Very low	194 Å²	194	134.9 Å²	134.9	91%	0.907	77%	0.768	S	S	*	*			trans	-102	179.7	-164.7	-62.3	-178	109.7	0	0	116.8
247	E	25.5	Very low	30.6	Very low	200 Å²	200	134.7 Å²	134.7	94%	0.935	77%	0.767	S	S	*	*			trans	95.3	164.6	159.4	-57.9	-154	118.7	0	0	121.8
248	M	27.1	Very low	30	Very low	163 Å²	163	135.1 Å²	135.1	80%	0.803	77%	0.768	S	S	*	*			trans	-140.3	145	-159.2	171.5	71.6	95.5	0	0	106.3
249	P	42.8	Very low	30	Very low	122 Å²	122	135 Å²	135	79%	0.792	77%	0.768	S	S	*	*				-154.1	-174.9	65	40.1	-16.5	0	0	0	118.3
250	S	32.9	Very low	30.3	Very low	101 Å²	101	132.4 Å²	132.4	71%	0.706	76%	0.763	S	S	*	*			trans	-85.7	170	176	-24.4	0	0	0	0	112.7
251	P	39.5	Very low	30.7	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	77%	0.772	S	S	*	*				-152.9	174.4	53.7	43	-22.3	0	0	0	119.2
252	M	24.6	Very low	31	Very low	176 Å²	176	137 Å²	137	87%	0.867	77%	0.773	S	S	*	*			trans	50.2	150.8	150.4	-73.8	-176.3	73.4	0	0	121.7
253	S	23.4	Very low	31.2	Very low	105 Å²	105	135 Å²	135	73%	0.734	76%	0.764	S	S	*	*			cis	-159.4	175.5	0.4	42.4	0	0	0	0	112.4
254	S	29.4	Very low	30.5	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	77%	0.765	S	S	*	*			trans	-85.1	-178.8	-171.8	61.4	0	0	0	0	116.2
255	P	43.3	Very low	30.6	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	75%	0.754	S	S	*	*				-155.8	157.8	98	40.1	-21.8	0	0	0	119.4
256	R	27.1	Very low	30.5	Very low	231 Å²	231	135.7 Å²	135.7	87%	0.872	76%	0.755	S	S	*	*			trans	66.1	151.5	151.5	-71.9	174.1	-177.9	-169.4	0.4	119.7
257	T	29.3	Very low	31.1	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	75%	0.746	S	S	*	*			cis	-165.4	141.3	-21.1	21.3	0	0	0	0	105
258	T	26.7	Very low	31.2	Very low	121 Å²	121	127.1 Å²	127.1	74%	0.742	74%	0.736	S	S	*	*				-162.2	-166	61.9	45.4	0	0	0	0	109.1
259	N	28.4	Very low	31.3	Very low	136 Å²	136	126.5 Å²	126.5	73%	0.727	74%	0.735	S	S	*	*			cis	-164.8	167.1	-46.7	-88.1	8.4	0	0	0	106.2
260	T	32.3	Very low	30.5	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	73%	0.732	S	S	*	*			cis	-167.3	163.6	-39.9	-56.8	0	0	0	0	105.9
261	V	33.3	Very low	30	Very low	124 Å²	124	134.2 Å²	134.2	75%	0.752	74%	0.739	S	S	*	*			trans	77.7	122.4	168.6	-171.6	0	0	0	0	115.4
262	E	31.1	Very low	29.2	Very low	154 Å²	154	133.4 Å²	133.4	72%	0.72	74%	0.736	S	S	*	*			cis	-176	-173.8	-9.8	-115.7	-166.8	-120.1	0	0	106.7
263	S	31.1	Very low	30.1	Very low	83 Å²	83	129.8 Å²	129.8	58%	0.58	73%	0.726	S	S	*	*			cis	-171.8	168	-23	46.8	0	0	0	0	108.2
264	H	31.4	Very low	30.1	Very low	146 Å²	146	130.3 Å²	130.3	68%	0.676	73%	0.725	S	S	*	*			cis	-156.5	144	-24	-107.9	-50.9	0	0	0	111.2
265	N	26.6	Very low	29.8	Very low	124 Å²	124	132.6 Å²	132.6	66%	0.663	73%	0.728	S	S	*	*			trans	61.3	106.1	138.8	-54.5	-10	0	0	0	124.3
266	S	22.9	Very low	29.9	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	73%	0.728	S	S	*	*				61.9	-172.8	105	-43.8	0	0	0	0	120.8
267	P	44.4	Very low	29.8	Very low	110 Å²	110	129.4 Å²	129.4	71%	0.714	73%	0.727	S	S	*	*				-140.2	173.5	-98.5	43.5	-24.4	0	0	0	119.1
268	S	27.3	Very low	29.5	Very low	103 Å²	103	127.9 Å²	127.9	72%	0.72	73%	0.726	S	S	*	*			trans	78.9	168.1	147.5	79.7	0	0	0	0	122.2
269	L	30	Very low	29.5	Very low	150 Å²	150	133.8 Å²	133.8	79%	0.785	74%	0.735	S	S	*	*			trans	94.5	120.2	160	-71.1	161.9	0	0	0	122.9
270	H	24.6	Very low	29.3	Very low	160 Å²	160	135.7 Å²	135.7	74%	0.741	74%	0.739	S	S	*	*			trans	53.7	131.8	135.8	-101.5	-42.6	0	0	0	125.8
271	R	22.9	Very low	29.4	Very low	225 Å²	225	136.1 Å²	136.1	85%	0.849	74%	0.744	S	S	*	*			trans	85.7	142.8	133.8	-165.4	178.1	-76.6	-169.8	-2.2	119
272	S	23.5	Very low	29.1	Very low	98 Å²	98	134 Å²	134	69%	0.685	74%	0.739	S	S	*	*			trans	-97.5	-170.8	-179.8	59.1	0	0	0	0	111.9
273	P	42.7	Very low	28.9	Very low	101 Å²	101	134.1 Å²	134.1	66%	0.656	74%	0.74	S	S	*	*			cis	-139.5	175.1	-2.9	40.1	-20.1	0	0	0	117.6
274	T	24.6	Very low	28.8	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	75%	0.748	S	S	*	*			trans	56.1	134.8	144.9	47.5	0	0	0	0	125.6
275	L	23.3	Very low	28.5	Very low	157 Å²	157	140 Å²	140	82%	0.822	75%	0.754	S	S	*	*			trans	73.8	167.6	146.3	-64.6	164.1	0	0	0	118.3
276	P	44.5	Very low	28.4	Very low	111 Å²	111	138.5 Å²	138.5	72%	0.721	75%	0.753	S	S	*	*				-138.7	-170.5	-58.9	41.2	-24.6	0	0	0	115
277	L	24.9	Very low	28.9	Very low	163 Å²	163	143 Å²	143	85%	0.853	76%	0.759	S	S	*	*			trans	106.5	108.2	144.2	-160	66.7	0	0	0	121.7
278	A	24.1	Very low	27.9	Very low	81 Å²	81	148.6 Å²	148.6	67%	0.669	77%	0.765	S	S	*	*			trans	55.8	132.4	142.9	0	0	0	0	0	124.4
279	R	25.5	Very low	27.9	Very low	246 Å²	246	148.9 Å²	148.9	93%	0.928	77%	0.768	S	S	*	*				-169.8	151.8	106.2	-101.5	168.3	-176.7	141.1	1.5	114.9
280	H	23.4	Very low	27.8	Very low	175 Å²	175	146.4 Å²	146.4	81%	0.81	76%	0.759	S	S	*	*			trans	-93.3	170.2	166.4	-86.1	-60.1	0	0	0	109.9
281	P	35.6	Very low	27.9	Very low	121 Å²	121	147.2 Å²	147.2	79%	0.786	76%	0.763	S	S	*	*			cis	-129	175.8	33.4	33.4	-11.7	0	0	0	115.5
282	A	27.2	Very low	28.2	Very low	80 Å²	80	141.5 Å²	141.5	66%	0.661	76%	0.757	S	S	*	*			cis	102.7	101.7	3.9	0	0	0	0	0	118.6
283	E	25.9	Very low	28.8	Very low	155 Å²	155	144.4 Å²	144.4	72%	0.724	77%	0.765	S	S	*	*			trans	-175.4	153.1	154.1	-98.4	-153.1	149.1	0	0	109.5
284	R	29.8	Very low	28.1	Very low	201 Å²	201	147.2 Å²	147.2	76%	0.758	77%	0.774	S	S	*	*			cis	-165.1	165.1	-22.4	-140.1	-179.8	-155.1	159.6	-2.8	111.8
285	L	24.4	Very low	28.5	Very low	152 Å²	152	149.1 Å²	149.1	80%	0.796	78%	0.779	S	S	*	*			trans	82.7	142.9	162.4	-57.6	162.4	0	0	0	119.8
286	S	25.9	Very low	28.8	Very low	92 Å²	92	149.7 Å²	149.7	64%	0.643	78%	0.783	S	S	*	*			cis	-172.6	134.7	-39.8	45.2	0	0	0	0	113.1
287	K	31.7	Very low	28.3	Very low	206 Å²	206	148.4 Å²	148.4	90%	0.896	78%	0.781	S	S	*	*			trans	34.6	142.1	137.2	-63.5	-178.1	-179.6	-178.5	0	119.8
288	R	23.6	Very low	28.7	Very low	227 Å²	227	147 Å²	147	86%	0.857	78%	0.775	S	S	*	*				-163	154.5	61	-176.5	174	-177.4	165.3	0.7	114.1
289	S	27.9	Very low	29.4	Very low	110 Å²	110	150.1 Å²	150.1	77%	0.769	78%	0.776	S	S	*	*			trans	-136.2	158.6	169.1	168.3	0	0	0	0	109.8
290	T	28.6	Very low	29.6	Very low	98 Å²	98	146.1 Å²	146.1	60%	0.601	77%	0.773	S	S	*	*			trans	-159.7	139.1	170.2	42.4	0	0	0	0	108.6
291	Q	26.3	Very low	30.2	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	77%	0.774	S	S	*	*			cis	-155.7	-177.9	-14.3	-164.8	149.5	-24.7	0	0	109.2
292	S	29.1	Very low	30	Very low	104 Å²	104	146.8 Å²	146.8	73%	0.727	77%	0.774	S	S	*	*			trans	-91.1	163.6	-161.9	52.7	0	0	0	0	117.1
293	L	36	Very low	30.2	Very low	160 Å²	160	151.2 Å²	151.2	84%	0.838	78%	0.781	S	S	*	*			trans	-33	153.9	162.4	-63.4	157.2	0	0	0	116.4
294	D	27.1	Very low	30.6	Very low	159 Å²	159	153.3 Å²	153.3	85%	0.85	79%	0.791	S	S	*	*			trans	-145.1	164.7	130.6	-144.3	-22.3	0	0	0	110.8
295	L	34.8	Very low	30.5	Very low	157 Å²	157	149.4 Å²	149.4	82%	0.822	79%	0.794	S	S	*	*			trans	-116.5	136.2	-173.6	-75.4	172.4	0	0	0	112.6
296	N	29.6	Very low	31.2	Very low	168 Å²	168	146.2 Å²	146.2	90%	0.898	80%	0.798	S	S	*	*			trans	-154.5	154.6	148.6	-146.6	-11.6	0	0	0	111.7
297	A	33.7	Very low	31.6	Very low	84 Å²	84	146.7 Å²	146.7	69%	0.694	80%	0.802	S	S	*	*			trans	-114.6	145.8	-179.4	0	0	0	0	0	111
298	N	32.7	Very low	31.8	Very low	134 Å²	134	140.4 Å²	140.4	72%	0.717	78%	0.775	S	S	*	*				-166.6	161.7	104.7	-158.3	30.6	0	0	0	112.7
299	E	38.1	Very low	32.7	Very low	147 Å²	147	132.8 Å²	132.8	69%	0.687	75%	0.754	S	S	*	*			trans	-6.5	130.4	164.3	-67	162.5	140.7	0	0	119.4
300	N	30	Very low	33.8	Very low	161 Å²	161	131.7 Å²	131.7	86%	0.861	75%	0.746	S	S	*	*				-159	159.6	95.8	-109.3	-84.9	0	0	0	113.2
301	L	36.7	Very low	34.9	Very low	159 Å²	159	134 Å²	134	83%	0.832	75%	0.751	S	S	*	*			trans	-81.6	147.5	175.6	-68.9	155.5	0	0	0	110.7
302	L	31.1	Very low	35.9	Very low	152 Å²	152	129.8 Å²	129.8	80%	0.796	73%	0.731	S	S	*	*				-177.2	119.1	129	-98.9	166.9	0	0	0	112.8
303	E	30.8	Very low	37.1	Very low	173 Å²	173	126.7 Å²	126.7	81%	0.808	71%	0.707	S	S	*	*			trans	36.4	111.6	146	-66.1	177.8	-178.7	0	0	122.7
304	Q	36	Very low	37.9	Very low	198 Å²	198	122.2 Å²	122.2	93%	0.925	68%	0.682	S	S	*	*			trans	21.3	114	132.6	-60.8	-178.6	2	0	0	119.5
305	S	27.7	Very low	38.9	Very low	120 Å²	120	119.3 Å²	119.3	84%	0.839	67%	0.667	S	S	*	*			trans	-141.6	110.4	143.9	-171.8	0	0	0	0	109.6	S307	S305-S307 PolarHBondContact O-N 3.05Å
306	G	38.9	Very low	39.7	Very low	85 Å²	85	118.8 Å²	118.8	88%	0.876	65%	0.654	S	S	*	*			trans	-77	112.2	-171.5	0	0	0	0	0	112.8
307	S	33.3	Very low	40.8	Very low	102 Å²	102	111.5 Å²	111.5	71%	0.713	61%	0.614	S	S	*	*			trans	-128.2	75.5	171.3	176.9	0	0	0	0	110.1	S305 T309	S305-S307 PolarHBondContact O-N 3.05Å; S307-T309 PolarHBondContact O-N 3.28Å
308	E	36.9	Very low	41.2	Very low	74 Å²	74	113.5 Å²	113.5	35%	0.346	61%	0.614	S	S	.	*			trans	-49.8	123	165	-71.8	173.5	120.4	0	0	108.5	R316 R407	E308-R316 IonicContact OE1-CZ 3.11Å; E308-R316 IonicContact OE1-NH1 3.35Å; E308-R316 PolarHBondContact OE1-NH1 3.42Å; E308-R316 VanDerWaalsContact OE1-NH1 3.07Å; E308-R316 IonicContact OE1-NH2 2.68Å; E308-R316 PolarHBondContact OE1-NH2 3.47Å; E308-R407 IonicContact OE2-CZ 3.75Å; E308-R407 IonicContact OE2-NH1 2.64Å; E308-R407 PolarHBondContact OE2-NH1 3.05Å; E308-R407 IonicContact OE2-NH2 2.62Å; E308-R407 PolarHBondContact OE2-NH2 3.28Å
309	T	42.1	Very low	41.4	Very low	67 Å²	67	114 Å²	114	41%	0.411	61%	0.609	S	S	.	*			trans	-74.7	156.2	-176.4	57.9	0	0	0	0	110.4	S307 E311 E312	S307-T309 PolarHBondContact O-N 3.28Å; T309-E311 PolarHBondContact O-N 3.43Å; T309-E312 PolarHBondContact O-N 3.47Å; T309-E312 VanDerWaalsContact O-N 3.13Å
310	S	50.3	Low	41.8	Very low	86 Å²	86	109.7 Å²	109.7	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-59	-22.5	178.6	44.9	0	0	0	0	113.6	V313 E314	S310-V313 PolarHBondContact O-N 3.4Å; S310-E314 PolarHBondContact O-N 3.4Å
311	E	51.3	Low	42.5	Very low	148 Å²	148	111.6 Å²	111.6	69%	0.692	60%	0.599	S	S	*	*	H	α-helix	trans	-69.8	-41.3	178.2	-64.1	170.5	167	0	0	111.3	T309 V313 E314 D315	T309-E311 PolarHBondContact O-N 3.43Å; E311-V313 PolarHBondContact O-N 2.97Å; E311-E314 PolarHBondContact O-N 2.84Å; E311-D315 VanDerWaalsContact O-CB 3.29Å; E311-D315 WeakPolarHBondContact O-CB 3.41Å; E311-D315 PolarHBondContact O-N 2.93Å
312	E	47.6	Very low	43.5	Very low	87 Å²	87	105.8 Å²	105.8	41%	0.407	57%	0.568	S	S	.	*	H	α-helix	trans	-63.2	-23.8	175.7	-66.6	-172.2	179	0	0	113.3	T309 R316	T309-E312 PolarHBondContact O-N 3.47Å; T309-E312 VanDerWaalsContact O-N 3.13Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 PolarHBondContact O-NE 3.18Å; E312-R316 IonicContact OE2-NH2 3.1Å; E312-R316 PolarHBondContact OE2-NH2 2.99Å
313	V	54	Low	44.9	Very low	40 Å²	40	102.6 Å²	102.6	24%	0.242	56%	0.556	C	S	.	*	H	α-helix	trans	-82.5	-39.7	178	-176.7	0	0	0	0	111.1	S310 E311 I317 Y411	S310-V313 PolarHBondContact O-N 3.4Å; E311-V313 PolarHBondContact O-N 2.97Å; V313-I317 HydrophobicContact CG1-CD1 4.36Å; V313-I317 WeakPolarHBondContact O-CD1 3.23Å; V313-I317 WeakPolarHBondContact O-CG1 3.48Å; V313-I317 PolarHBondContact O-N 2.88Å; V313-Y411 HydrophobicContact CG1-CD2 4.15Å; V313-Y411 HydrophobicContact CG1-CE2 4.42Å
314	E	53.4	Low	46.9	Very low	65 Å²	65	95.9 Å²	95.9	30%	0.304	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-39.8	171	-65.5	-148	75.8	0	0	111.2	S310 E311 R316 I317 D318 R446 R448	S310-E314 PolarHBondContact O-N 3.4Å; E311-E314 PolarHBondContact O-N 2.84Å; E314-R316 PolarHBondContact O-N 2.9Å; E314-I317 PolarHBondContact O-N 2.96Å; E314-D318 PolarHBondContact O-N 2.9Å; E314-D318 VanDerWaalsContact O-N 3.08Å; E314-R446 IonicContact OE1-CZ 3.47Å; E314-R446 IonicContact OE1-NH1 2.66Å; E314-R446 PolarHBondContact OE1-NH1 3.1Å; E314-R446 IonicContact OE2-CZ 2.89Å; E314-R446 IonicContact OE2-NH1 3.13Å; E314-R446 PolarHBondContact OE2-NH1 2.64Å; E314-R448 IonicContact OE1-CZ 3.52Å; E314-R448 IonicContact OE1-NH2 2.82Å; E314-R448 PolarHBondContact OE1-NH2 2.74Å
315	D	47.7	Very low	49.4	Very low	99 Å²	99	92.1 Å²	92.1	53%	0.529	51%	0.511	S	S	.	.	H	α-helix	trans	-71.6	-14.4	-177.8	-161.8	51.3	0	0	0	113.9	E311 K319	E311-D315 VanDerWaalsContact O-CB 3.29Å; E311-D315 WeakPolarHBondContact O-CB 3.41Å; E311-D315 PolarHBondContact O-N 2.93Å; D315-K319 WeakPolarHBondContact O-CG 3.25Å; D315-K319 PolarHBondContact O-NZ 3.37Å; D315-K319 IonicContact OD1-NZ 2.74Å; D315-K319 PolarHBondContact OD1-NZ 2.88Å; D315-K319 IonicContact OD2-NZ 3.4Å; D315-K319 PolarHBondContact OD2-NZ 3.43Å
316	R	51.2	Low	52.3	Low	146 Å²	146	89.7 Å²	89.7	55%	0.551	49%	0.488	S	S	*	.	H	α-helix	trans	-85.5	-26.5	166.4	-73.2	173.3	-154.4	-178.9	12.5	112.9	E308 E312 E314	E308-R316 IonicContact OE1-CZ 3.11Å; E308-R316 IonicContact OE1-NH1 3.35Å; E308-R316 PolarHBondContact OE1-NH1 3.42Å; E308-R316 VanDerWaalsContact OE1-NH1 3.07Å; E308-R316 IonicContact OE1-NH2 2.68Å; E308-R316 PolarHBondContact OE1-NH2 3.47Å; E312-R316 VanDerWaalsContact O-CG 3.23Å; E312-R316 WeakPolarHBondContact O-CG 3.37Å; E312-R316 PolarHBondContact O-N 3.29Å; E312-R316 PolarHBondContact O-NE 3.18Å; E312-R316 IonicContact OE2-NH2 3.1Å; E312-R316 PolarHBondContact OE2-NH2 2.99Å; E314-R316 PolarHBondContact O-N 2.9Å
317	I	53.1	Low	54.6	Low	14 Å²	14	87.3 Å²	87.3	7%	0.072	45%	0.453	C	S	.	.	H	α-helix	trans	-79.6	-44.6	-179.2	-68.7	165.9	0	0	0	110.8	V313 E314 K319 S320 Y411 I438	V313-I317 HydrophobicContact CG1-CD1 4.36Å; V313-I317 WeakPolarHBondContact O-CD1 3.23Å; V313-I317 WeakPolarHBondContact O-CG1 3.48Å; V313-I317 PolarHBondContact O-N 2.88Å; E314-I317 PolarHBondContact O-N 2.96Å; I317-K319 PolarHBondContact O-N 3.29Å; I317-K319 VanDerWaalsContact O-N 3.11Å; I317-S320 PolarHBondContact O-N 3.47Å; I317-S320 VanDerWaalsContact O-N 3.16Å; I317-Y411 HydrophobicContact CD1-CE2 4.22Å; I317-I438 HydrophobicContact CD1-CD1 3.67Å; I317-I438 HydrophobicContact CD1-CG1 4.46Å
318	D	42.6	Very low	57.3	Low	126 Å²	126	82.6 Å²	82.6	67%	0.674	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.4	179.9	-83	20.2	0	0	0	113.6	E314 R448	E314-D318 PolarHBondContact O-N 2.9Å; E314-D318 VanDerWaalsContact O-N 3.08Å; D318-R448 IonicContact OD1-NH1 3.23Å
319	K	37.4	Very low	60.1	Low	145 Å²	145	83.1 Å²	83.1	63%	0.63	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	0	173.8	-65.9	-170	-174.6	79.6	0	114.4	D315 I317	D315-K319 WeakPolarHBondContact O-CG 3.25Å; D315-K319 PolarHBondContact O-NZ 3.37Å; D315-K319 IonicContact OD1-NZ 2.74Å; D315-K319 PolarHBondContact OD1-NZ 2.88Å; D315-K319 IonicContact OD2-NZ 3.4Å; D315-K319 PolarHBondContact OD2-NZ 3.43Å; I317-K319 PolarHBondContact O-N 3.29Å; I317-K319 VanDerWaalsContact O-N 3.11Å
320	S	45.6	Very low	62.5	Low	57 Å²	57	83.1 Å²	83.1	40%	0.399	42%	0.419	S	S	.	.	S	Bend	trans	-96.6	119.5	171	-171.5	0	0	0	0	109.7	I317 E322	I317-S320 PolarHBondContact O-N 3.47Å; I317-S320 VanDerWaalsContact O-N 3.16Å; S320-E322 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact OG-OE1 2.67Å
321	E	45.3	Very low	64.6	Low	201 Å²	201	81.7 Å²	81.7	94%	0.939	41%	0.407	S	S	*	.			trans	-71.9	72.4	163.9	-72.7	-166.4	132.7	0	0	109.4	P323	E321-P323 WeakPolarHBondContact O-CD 3.29Å
322	E	57.6	Low	66.6	Low	37 Å²	37	74.6 Å²	74.6	17%	0.173	37%	0.374	C	S	.	.			trans	-58.2	118.2	-177.6	-77.4	-71.6	115.8	0	0	111.7	S320 G324 R434 Y436 Y450	S320-E322 PolarHBondContact O-N 2.84Å; S320-E322 PolarHBondContact OG-OE1 2.67Å; E322-G324 PolarHBondContact O-N 3.13Å; E322-R434 VanDerWaalsContact CD-NH1 3.25Å; E322-R434 IonicContact OE1-NH1 2.67Å; E322-R434 PolarHBondContact OE1-NH1 2.89Å; E322-R434 WeakPolarHBondContact OE2-CD 3.31Å; E322-R434 IonicContact OE2-CZ 2.65Å; E322-R434 IonicContact OE2-NE 2.74Å; E322-R434 IonicContact OE2-NH1 2.71Å; E322-R434 PolarHBondContact OE2-NH1 2.86Å; E322-Y436 VanDerWaalsContact CD-OH 3.22Å; E322-Y436 PolarHBondContact OE1-OH 2.87Å; E322-Y436 PolarHBondContact OE2-OH 3.39Å; E322-Y436 VanDerWaalsContact OE2-OH 3.06Å; E322-Y450 HydrophobicContact CB-CD1 4.45Å; E322-Y450 HydrophobicContact CB-CE1 4.39Å
323	P	59.9	Low	68.8	Low	85 Å²	85	74 Å²	74	55%	0.552	37%	0.371	S	S	*	.	S	Bend	trans	-76.6	89	179.6	30.5	-34.1	0	0	0	111	E321	E321-P323 WeakPolarHBondContact O-CD 3.29Å
324	G	73.3	Confident	70.7	Confident	32 Å²	32	72.2 Å²	72.2	33%	0.33	36%	0.36	S	S	.	.	S	Bend	trans	176.5	165.8	172.5	0	0	0	0	0	113.8	E322 S451	E322-G324 PolarHBondContact O-N 3.13Å; G324-S451 CarbonylContact C-O 3.57Å; G324-S451 WeakPolarHBondContact CA-O 3.37Å
325	R	87.6	Confident	72.6	Confident	118 Å²	118	71.1 Å²	71.1	45%	0.445	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.3	170.7	178.1	175.6	177.7	-143.6	-1.6	109.2	Y327 Y450 S451 W472 E476	R325-Y327 HydrophobicContact CB-CD2 4.33Å; R325-Y327 HydrophobicContact CB-CE2 3.83Å; R325-Y327 HydrophobicContact CG-CD2 4.24Å; R325-Y327 HydrophobicContact CG-CE2 3.8Å; R325-Y327 PolarHBondContact NH1-OH 2.74Å; R325-Y327 VanDerWaalsContact O-CD2 3.27Å; R325-Y327 WeakPolarHBondContact O-CD2 3.28Å; R325-Y327 PolarHBondContact O-N 2.79Å; R325-Y450 CarbonylContact O-C 3.52Å; R325-Y450 WeakPolarHBondContact O-CA 3.43Å; R325-S451 PolarHBondContact N-O 2.84Å; R325-S451 PolarHBondContact O-N 3.39Å; R325-W472 HydrophobicContact CB-CH2 4.2Å; R325-E476 IonicContact CZ-OE2 2.7Å; R325-E476 IonicContact NH1-OE2 2.73Å; R325-E476 PolarHBondContact NH1-OE2 2.72Å; R325-E476 IonicContact NH2-OE2 2.9Å; R325-E476 PolarHBondContact NH2-OE2 2.93Å
326	L	89.7	Confident	74.8	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.366	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.3	171	-177.2	64.2	0	0	0	109.7	L328 N329 R448 Y450	L326-L328 WeakPolarHBondContact CD1-O 3.33Å; L326-N329 HydrophobicContact CD1-CB 4.24Å; L326-N329 HydrophobicContact CD2-CB 4.01Å; L326-N329 HydrophobicContact CG-CB 4.3Å; L326-R448 HydrophobicContact CD1-CB 4.21Å; L326-Y450 HydrophobicContact CB-CD1 4.12Å; L326-Y450 HydrophobicContact CB-CE1 4.06Å; L326-Y450 HydrophobicContact CD1-CD1 4.24Å; L326-Y450 HydrophobicContact CD1-CD2 4.11Å; L326-Y450 HydrophobicContact CD1-CE1 4Å; L326-Y450 HydrophobicContact CD1-CE2 3.84Å; L326-Y450 HydrophobicContact CD1-CG 4.29Å
327	Y	86	Confident	76.8	Confident	35 Å²	35	61.4 Å²	61.4	14%	0.137	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-35.5	-179.6	-88.9	-81.8	0	0	0	113.7	R325 V449 W472 I475 E476 F479	R325-Y327 HydrophobicContact CB-CD2 4.33Å; R325-Y327 HydrophobicContact CB-CE2 3.83Å; R325-Y327 HydrophobicContact CG-CD2 4.24Å; R325-Y327 HydrophobicContact CG-CE2 3.8Å; R325-Y327 PolarHBondContact NH1-OH 2.74Å; R325-Y327 VanDerWaalsContact O-CD2 3.27Å; R325-Y327 WeakPolarHBondContact O-CD2 3.28Å; R325-Y327 PolarHBondContact O-N 2.79Å; Y327-V449 PolarHBondContact N-O 3.23Å; Y327-W472 AromaticContact CE2-CE3 3.75Å; Y327-W472 HydrophobicContact CE2-CE3 3.75Å; Y327-W472 HydrophobicContact CE2-CH2 4.42Å; Y327-W472 AromaticContact CE2-CZ3 3.58Å; Y327-W472 HydrophobicContact CE2-CZ3 3.58Å; Y327-W472 AromaticContact CZ-CE3 3.72Å; Y327-I475 HydrophobicContact CD1-CG2 4.13Å; Y327-I475 HydrophobicContact CD2-CG2 3.84Å; Y327-I475 HydrophobicContact CE1-CG2 3.94Å; Y327-I475 HydrophobicContact CE2-CG2 3.65Å; Y327-I475 HydrophobicContact CG-CG2 4.08Å; Y327-E476 HydrophobicContact CD1-CB 4.28Å; Y327-E476 HydrophobicContact CD1-CG 4.14Å; Y327-E476 HydrophobicContact CE1-CB 3.73Å; Y327-E476 HydrophobicContact CE1-CG 3.83Å; Y327-F479 HydrophobicContact CG-CD2 4.23Å
328	L	91.4	Very high	78.7	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.5	179.6	-178.2	55.4	0	0	0	109	L326 K330 L447 R448 V449 E483	L326-L328 WeakPolarHBondContact CD1-O 3.33Å; L328-K330 HydrophobicContact CD1-CB 4.02Å; L328-L447 HydrophobicContact CD2-CD2 3.57Å; L328-L447 HydrophobicContact CD2-CG 4.06Å; L328-L447 HydrophobicContact CG-CD2 4.43Å; L328-L447 HydrophobicContact CG-CG 4.46Å; L328-R448 CarbonylContact O-C 3.48Å; L328-R448 VanDerWaalsContact O-CA 3.25Å; L328-R448 WeakPolarHBondContact O-CA 3.37Å; L328-V449 HydrophobicContact CB-CB 4.13Å; L328-V449 HydrophobicContact CB-CG2 4.1Å; L328-V449 HydrophobicContact CD2-CG2 4.27Å; L328-V449 PolarHBondContact N-O 2.85Å; L328-V449 PolarHBondContact O-N 3.4Å; L328-E483 HydrophobicContact CD1-CB 3.99Å; L328-E483 HydrophobicContact CD1-CG 3.78Å; L328-E483 WeakPolarHBondContact CD1-OE2 3.44Å
329	N	93.9	Very high	81.1	Confident	85 Å²	85	57.3 Å²	57.3	46%	0.455	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	83.8	175.4	-178.1	12.6	0	0	0	108.7	L326 R446 L447 R448	L326-N329 HydrophobicContact CD1-CB 4.24Å; L326-N329 HydrophobicContact CD2-CB 4.01Å; L326-N329 HydrophobicContact CG-CB 4.3Å; N329-R446 WeakPolarHBondContact OD1-CD 3.2Å; N329-L447 CarbonylContact C-O 3.2Å; N329-L447 VanDerWaalsContact CA-O 3.28Å; N329-L447 WeakPolarHBondContact CA-O 3.31Å; N329-R448 HydrophobicContact CB-CG 4.43Å; N329-R448 WeakPolarHBondContact OD1-CG 3.49Å
330	K	93.8	Very high	83.8	Confident	66 Å²	66	51.9 Å²	51.9	29%	0.287	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.8	-170.1	-161.7	164.8	-161.8	173.1	0	112.5	L328 F332 R446 L447 E483 L487	L328-K330 HydrophobicContact CD1-CB 4.02Å; K330-F332 HydrophobicContact CB-CD2 4.45Å; K330-F332 HydrophobicContact CB-CE2 3.81Å; K330-F332 HydrophobicContact CB-CZ 4.15Å; K330-F332 HydrophobicContact CD-CZ 4.2Å; K330-F332 HydrophobicContact CG-CE2 4.29Å; K330-F332 HydrophobicContact CG-CZ 4.34Å; K330-R446 CarbonylContact O-C 3.58Å; K330-R446 WeakPolarHBondContact O-CA 3.43Å; K330-L447 PolarHBondContact N-O 2.85Å; K330-L447 PolarHBondContact O-N 3.16Å; K330-E483 HydrophobicContact CD-CG 3.9Å; K330-E483 VanDerWaalsContact CD-OE1 3.24Å; K330-E483 WeakPolarHBondContact CD-OE1 3.4Å; K330-E483 WeakPolarHBondContact CE-OE1 3.48Å; K330-E483 IonicContact NZ-OE1 2.63Å; K330-E483 PolarHBondContact NZ-OE1 3.24Å; K330-L487 HydrophobicContact CD-CD2 4.35Å; K330-L487 VanDerWaalsContact NZ-CD1 3.31Å
331	V	94.3	Very high	86.1	Confident	56 Å²	56	53 Å²	53	34%	0.339	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.4	175.1	-176.4	0	0	0	0	108.8	K444 C445 R446	V331-K444 HydrophobicContact CG1-CB 4.19Å; V331-K444 HydrophobicContact CG1-CD 4.48Å; V331-C445 CarbonylContact C-O 3.53Å; V331-C445 WeakPolarHBondContact CA-O 3.41Å; V331-R446 HydrophobicContact CG2-CB 4.05Å; V331-R446 HydrophobicContact CG2-CG 4.05Å
332	F	94.1	Very high	88.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	144.4	179	-64.6	-91.9	0	0	0	110.7	K330 M334 K444 C445 L447 E483 L486 L487 E490	K330-F332 HydrophobicContact CB-CD2 4.45Å; K330-F332 HydrophobicContact CB-CE2 3.81Å; K330-F332 HydrophobicContact CB-CZ 4.15Å; K330-F332 HydrophobicContact CD-CZ 4.2Å; K330-F332 HydrophobicContact CG-CE2 4.29Å; K330-F332 HydrophobicContact CG-CZ 4.34Å; F332-M334 HydrophobicContact CB-CE 4.33Å; F332-M334 HydrophobicContact CB-CG 4.05Å; F332-M334 PolarHBondContact O-N 3.04Å; F332-K444 VanDerWaalsContact O-CA 3.3Å; F332-K444 WeakPolarHBondContact O-CA 3.3Å; F332-C445 PolarHBondContact N-O 2.99Å; F332-C445 PolarHBondContact O-N 3.09Å; F332-L447 HydrophobicContact CD2-CB 4.14Å; F332-L447 HydrophobicContact CE2-CB 3.88Å; F332-L447 HydrophobicContact CE2-CD2 4.08Å; F332-E483 HydrophobicContact CZ-CG 4.46Å; F332-L486 HydrophobicContact CD1-CB 4.08Å; F332-L486 HydrophobicContact CE1-CB 3.42Å; F332-L486 VanDerWaalsContact CE1-CB 3.42Å; F332-L486 HydrophobicContact CE1-CD1 4.26Å; F332-L486 HydrophobicContact CE1-CG 4.48Å; F332-L486 HydrophobicContact CE2-CD1 4.35Å; F332-L486 HydrophobicContact CZ-CB 3.9Å; F332-L486 HydrophobicContact CZ-CD1 3.9Å; F332-L487 HydrophobicContact CD1-CD2 4.19Å; F332-L487 HydrophobicContact CE1-CD2 3.92Å; F332-L487 HydrophobicContact CE1-CG 4.04Å; F332-E490 WeakPolarHBondContact CA-OE2 3.49Å; F332-E490 VanDerWaalsContact CB-OE2 3.26Å; F332-E490 WeakPolarHBondContact CB-OE2 3.39Å; F332-E490 VanDerWaalsContact CD1-OE2 3.32Å; F332-E490 WeakPolarHBondContact CD1-OE2 3.31Å
333	H	93.1	Very high	90.1	Very high	74 Å²	74	42.9 Å²	42.9	34%	0.343	23%	0.226	S	C	.	.	S	Bend	trans	-83.1	52.8	178.8	-63.8	84.5	0	0	0	113.2	R443 K444 E490 N494	H333-R443 CarbonylContact C-O 3.55Å; H333-R443 WeakPolarHBondContact CA-O 3.24Å; H333-K444 VanDerWaalsContact CD2-CE 3.4Å; H333-K444 WeakPolarHBondContact CD2-CE 3.45Å; H333-K444 PolarHBondContact CD2-NZ 2.71Å; H333-K444 WeakPolarHBondContact NE2-CE 3.37Å; H333-K444 PolarHBondContact NE2-NZ 2.83Å; H333-E490 HydrophobicContact CB-CG 4.02Å; H333-E490 WeakPolarHBondContact CB-OE1 3.45Å; H333-E490 IonicContact CE1-OE1 3.85Å; H333-E490 IonicContact CG-OE1 2.81Å; H333-E490 PolarHBondContact N-OE1 3.47Å; H333-E490 PolarHBondContact N-OE2 3.34Å; H333-E490 IonicContact ND1-OE1 3.37Å; H333-E490 PolarHBondContact ND1-OE1 2.8Å; H333-N494 PolarHBondContact O-ND2 2.89Å; H333-N494 VanDerWaalsContact O-ND2 3.12Å
334	M	93.2	Very high	91.7	Very high	3 Å²	3	39 Å²	39	2%	0.015	20%	0.2	C	C	.	.	S	Bend	trans	-134	171.6	172.5	59.7	-177.5	75.8	0	0	110.7	F332 L339 L342 R443 K444 C445 E490 M493	F332-M334 HydrophobicContact CB-CE 4.33Å; F332-M334 HydrophobicContact CB-CG 4.05Å; F332-M334 PolarHBondContact O-N 3.04Å; M334-L339 HydrophobicContact CG-CB 4.18Å; M334-L339 HydrophobicContact SD-CB 3.76Å; M334-L339 HydrophobicContact SD-CD1 3.79Å; M334-L339 HydrophobicContact SD-CG 4.32Å; M334-L342 HydrophobicContact CE-CD1 4.16Å; M334-L342 HydrophobicContact SD-CD1 3.74Å; M334-R443 PolarHBondContact N-O 2.78Å; M334-R443 CarbonylContact O-C 3.58Å; M334-K444 CarbonylContact O-C 3.59Å; M334-K444 WeakPolarHBondContact O-CA 3.49Å; M334-K444 PolarHBondContact O-N 2.73Å; M334-C445 PolarHBondContact O-N 3.36Å; M334-E490 HydrophobicContact CE-CB 4.03Å; M334-M493 HydrophobicContact CB-CE 3.87Å
335	S	93.6	Very high	92.5	Very high	41 Å²	41	40 Å²	40	29%	0.287	20%	0.2	S	C	.	.			trans	-81.4	154.1	175.4	68	0	0	0	0	111	S337 K338 L339	S335-S337 VanDerWaalsContact C-N 3.29Å; S335-S337 PolarHBondContact O-N 3.28Å; S335-K338 PolarHBondContact O-N 3.07Å; S335-K338 WeakPolarHBondContact OG-CB 3.27Å; S335-K338 PolarHBondContact OG-N 2.9Å; S335-L339 PolarHBondContact O-N 3.49Å
336	A	93.6	Very high	92.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-42.7	177.3	0	0	0	0	0	112.2	K338 L339 F340 Y412 I437 R439 C445	A336-K338 VanDerWaalsContact C-N 3.33Å; A336-K338 PolarHBondContact O-N 3.01Å; A336-L339 PolarHBondContact O-N 3.09Å; A336-F340 WeakPolarHBondContact O-CB 3.36Å; A336-F340 PolarHBondContact O-N 2.89Å; A336-Y412 HydrophobicContact CB-CE2 4.2Å; A336-I437 HydrophobicContact CB-CG2 3.83Å; A336-R439 HydrophobicContact CB-CB 4.14Å; A336-C445 HydrophobicContact CB-CB 4.18Å
337	S	93.2	Very high	92.5	Very high	40 Å²	40	37.1 Å²	37.1	28%	0.28	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-38	174.9	-47.6	0	0	0	0	112.6	S335 F340 E341 G409 Y412	S335-S337 VanDerWaalsContact C-N 3.29Å; S335-S337 PolarHBondContact O-N 3.28Å; S337-F340 PolarHBondContact O-N 2.89Å; S337-E341 WeakPolarHBondContact O-CB 3.22Å; S337-E341 PolarHBondContact O-N 2.9Å; S337-G409 WeakPolarHBondContact OG-CA 3.45Å; S337-G409 PolarHBondContact OG-N 3.03Å; S337-Y412 WeakPolarHBondContact CA-OH 3.39Å; S337-Y412 PolarHBondContact OG-OH 3.41Å
338	K	92.7	Very high	92.6	Very high	55 Å²	55	38.8 Å²	38.8	24%	0.239	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-38.4	-179.1	-172.3	52.2	169.5	-177.6	0	112.1	S335 A336 F340 E341 L342 M493	S335-K338 PolarHBondContact O-N 3.07Å; S335-K338 WeakPolarHBondContact OG-CB 3.27Å; S335-K338 PolarHBondContact OG-N 2.9Å; A336-K338 VanDerWaalsContact C-N 3.33Å; A336-K338 PolarHBondContact O-N 3.01Å; K338-F340 VanDerWaalsContact C-N 3.31Å; K338-E341 HydrophobicContact CD-CB 4.3Å; K338-E341 WeakPolarHBondContact CD-OE2 3.49Å; K338-E341 IonicContact NZ-OE1 3.77Å; K338-E341 PolarHBondContact NZ-OE1 3.47Å; K338-E341 IonicContact NZ-OE2 2.75Å; K338-E341 PolarHBondContact NZ-OE2 3.39Å; K338-E341 WeakPolarHBondContact O-CB 3.37Å; K338-E341 PolarHBondContact O-N 2.79Å; K338-L342 HydrophobicContact CD-CG 4.36Å; K338-L342 HydrophobicContact CG-CD1 4.18Å; K338-L342 WeakPolarHBondContact O-CB 3.44Å; K338-L342 VanDerWaalsContact O-CG 3.23Å; K338-L342 WeakPolarHBondContact O-CG 3.23Å; K338-L342 PolarHBondContact O-N 3.27Å; K338-M493 HydrophobicContact CG-CE 3.9Å; K338-M493 HydrophobicContact CG-SD 4.08Å
339	L	94.4	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-38.2	172.1	-177	60.7	0	0	0	111.5	M334 S335 A336 L342 L343 I437 L447 L486	M334-L339 HydrophobicContact CG-CB 4.18Å; M334-L339 HydrophobicContact SD-CB 3.76Å; M334-L339 HydrophobicContact SD-CD1 3.79Å; M334-L339 HydrophobicContact SD-CG 4.32Å; S335-L339 PolarHBondContact O-N 3.49Å; A336-L339 PolarHBondContact O-N 3.09Å; L339-L342 PolarHBondContact O-N 3.33Å; L339-L343 HydrophobicContact CD1-CD1 3.83Å; L339-L343 HydrophobicContact CD1-CG 4.09Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CG 3.47Å; L339-L343 PolarHBondContact O-N 3.44Å; L339-L343 VanDerWaalsContact O-N 3.11Å; L339-I437 HydrophobicContact CB-CD1 4.38Å; L339-I437 HydrophobicContact CB-CG2 4.38Å; L339-I437 HydrophobicContact CD2-CD1 4.27Å; L339-I437 HydrophobicContact CD2-CG1 4.02Å; L339-I437 HydrophobicContact CD2-CG2 4.11Å; L339-I437 HydrophobicContact CG-CD1 3.98Å; L339-I437 HydrophobicContact CG-CG1 4.29Å; L339-L447 HydrophobicContact CD2-CB 3.92Å; L339-L447 HydrophobicContact CD2-CD1 4.4Å; L339-L447 HydrophobicContact CD2-CD2 4.24Å; L339-L447 HydrophobicContact CD2-CG 4.41Å; L339-L486 HydrophobicContact CD1-CD1 4.14Å; L339-L486 HydrophobicContact CD1-CD2 3.71Å
340	F	94.3	Very high	92.5	Very high	30 Å²	30	35.9 Å²	35.9	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-45.4	173.1	179.2	-94.2	0	0	0	111.4	A336 S337 K338 L342 L343 F344 L402 Y412 V414 I437	A336-F340 WeakPolarHBondContact O-CB 3.36Å; A336-F340 PolarHBondContact O-N 2.89Å; S337-F340 PolarHBondContact O-N 2.89Å; K338-F340 VanDerWaalsContact C-N 3.31Å; F340-L342 PolarHBondContact O-N 3.2Å; F340-L343 PolarHBondContact O-N 3.07Å; F340-F344 HydrophobicContact CD2-CB 4.02Å; F340-F344 AromaticContact CD2-CD2 3.45Å; F340-F344 HydrophobicContact CD2-CD2 3.45Å; F340-F344 VanDerWaalsContact CD2-CD2 3.45Å; F340-F344 HydrophobicContact CD2-CE2 4.31Å; F340-F344 HydrophobicContact CD2-CG 4.04Å; F340-F344 HydrophobicContact CE1-CB 4.26Å; F340-F344 HydrophobicContact CE2-CB 3.68Å; F340-F344 AromaticContact CE2-CD2 3.7Å; F340-F344 HydrophobicContact CE2-CD2 3.7Å; F340-F344 AromaticContact CE2-CG 3.84Å; F340-F344 HydrophobicContact CE2-CG 3.84Å; F340-F344 HydrophobicContact CG-CB 4.43Å; F340-F344 HydrophobicContact CG-CD2 4.23Å; F340-F344 HydrophobicContact CZ-CB 3.81Å; F340-F344 HydrophobicContact CZ-CG 4.45Å; F340-F344 WeakPolarHBondContact O-CA 3.23Å; F340-F344 VanDerWaalsContact O-CB 3.31Å; F340-F344 WeakPolarHBondContact O-CB 3.38Å; F340-F344 PolarHBondContact O-N 3.13Å; F340-L402 HydrophobicContact CE2-CD1 4.02Å; F340-L402 HydrophobicContact CE2-CD2 4.4Å; F340-L402 HydrophobicContact CZ-CD2 4.08Å; F340-Y412 HydrophobicContact CB-CD1 4.23Å; F340-Y412 HydrophobicContact CB-CD2 3.97Å; F340-Y412 HydrophobicContact CB-CE1 4.1Å; F340-Y412 HydrophobicContact CB-CE2 3.84Å; F340-Y412 HydrophobicContact CB-CG 4.16Å; F340-Y412 HydrophobicContact CD1-CD1 4.23Å; F340-Y412 AromaticContact CD1-CE1 3.83Å; F340-Y412 HydrophobicContact CD1-CE1 3.83Å; F340-Y412 AromaticContact CD2-CD1 3.41Å; F340-Y412 HydrophobicContact CD2-CD1 3.41Å; F340-Y412 VanDerWaalsContact CD2-CD1 3.41Å; F340-Y412 HydrophobicContact CD2-CD2 4.33Å; F340-Y412 AromaticContact CD2-CE1 3.88Å; F340-Y412 HydrophobicContact CD2-CE1 3.88Å; F340-Y412 AromaticContact CD2-CG 3.66Å; F340-Y412 HydrophobicContact CD2-CG 3.66Å; F340-Y412 HydrophobicContact CE1-CE1 4.24Å; F340-Y412 AromaticContact CE2-CD1 3.77Å; F340-Y412 HydrophobicContact CE2-CD1 3.77Å; F340-Y412 HydrophobicContact CE2-CE1 4.29Å; F340-Y412 HydrophobicContact CE2-CG 4.35Å; F340-Y412 AromaticContact CG-CD1 3.68Å; F340-Y412 HydrophobicContact CG-CD1 3.68Å; F340-Y412 HydrophobicContact CG-CD2 4.31Å; F340-Y412 AromaticContact CG-CE1 3.64Å; F340-Y412 HydrophobicContact CG-CE1 3.64Å; F340-Y412 HydrophobicContact CG-CE2 4.29Å; F340-Y412 HydrophobicContact CG-CG 4.01Å; F340-Y412 AromaticContact CG-CZ 3.94Å; F340-Y412 HydrophobicContact CZ-CD1 4.31Å; F340-Y412 HydrophobicContact CZ-CE1 4.46Å; F340-V414 HydrophobicContact CE2-CG2 4.07Å; F340-I437 HydrophobicContact CB-CD1 3.96Å; F340-I437 HydrophobicContact CD2-CD1 4.42Å
341	E	93.1	Very high	92.4	Very high	80 Å²	80	37.7 Å²	37.7	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-56.6	-48.6	175.4	-167.2	-155.2	132.1	0	0	111.6	S337 K338 L343 T345	S337-E341 WeakPolarHBondContact O-CB 3.22Å; S337-E341 PolarHBondContact O-N 2.9Å; K338-E341 HydrophobicContact CD-CB 4.3Å; K338-E341 WeakPolarHBondContact CD-OE2 3.49Å; K338-E341 IonicContact NZ-OE1 3.77Å; K338-E341 PolarHBondContact NZ-OE1 3.47Å; K338-E341 IonicContact NZ-OE2 2.75Å; K338-E341 PolarHBondContact NZ-OE2 3.39Å; K338-E341 WeakPolarHBondContact O-CB 3.37Å; K338-E341 PolarHBondContact O-N 2.79Å; E341-L343 PolarHBondContact O-N 2.82Å; E341-T345 HydrophobicContact CG-CG2 4.36Å; E341-T345 WeakPolarHBondContact O-CB 3.39Å; E341-T345 PolarHBondContact O-N 3.06Å; E341-T345 PolarHBondContact O-OG1 3.12Å
342	L	94	Very high	92.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-36	-179.2	-70.9	166.2	0	0	0	113.4	M334 K338 L339 F340 S347 F349 T350 E489	M334-L342 HydrophobicContact CE-CD1 4.16Å; M334-L342 HydrophobicContact SD-CD1 3.74Å; K338-L342 HydrophobicContact CD-CG 4.36Å; K338-L342 HydrophobicContact CG-CD1 4.18Å; K338-L342 WeakPolarHBondContact O-CB 3.44Å; K338-L342 VanDerWaalsContact O-CG 3.23Å; K338-L342 WeakPolarHBondContact O-CG 3.23Å; K338-L342 PolarHBondContact O-N 3.27Å; L339-L342 PolarHBondContact O-N 3.33Å; F340-L342 PolarHBondContact O-N 3.2Å; L342-S347 PolarHBondContact O-OG 2.97Å; L342-S347 VanDerWaalsContact O-OG 3.05Å; L342-F349 HydrophobicContact CB-CD1 4.3Å; L342-F349 HydrophobicContact CD2-CB 3.61Å; L342-F349 HydrophobicContact CD2-CG 4.19Å; L342-F349 WeakPolarHBondContact O-CD1 3.22Å; L342-T350 PolarHBondContact O-OG1 3.41Å; L342-E489 HydrophobicContact CD1-CG 4.11Å; L342-E489 HydrophobicContact CD2-CG 4.18Å
343	L	93.6	Very high	92.1	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.115	21%	0.207	C	C	.	.	H	α-helix	trans	-93.2	-31.1	-177.3	-65.6	178.8	0	0	0	114	L339 F340 E341 F349 I437 L447 L482 L486	L339-L343 HydrophobicContact CD1-CD1 3.83Å; L339-L343 HydrophobicContact CD1-CG 4.09Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 WeakPolarHBondContact O-CG 3.47Å; L339-L343 PolarHBondContact O-N 3.44Å; L339-L343 VanDerWaalsContact O-N 3.11Å; F340-L343 PolarHBondContact O-N 3.07Å; E341-L343 PolarHBondContact O-N 2.82Å; L343-F349 HydrophobicContact CD2-CE1 4.07Å; L343-I437 HydrophobicContact CD1-CD1 4.49Å; L343-L447 HydrophobicContact CD1-CD1 4.41Å; L343-L447 HydrophobicContact CD1-CD2 4.1Å; L343-L482 HydrophobicContact CD2-CD1 3.9Å; L343-L482 HydrophobicContact CD2-CD2 4.3Å; L343-L482 HydrophobicContact CD2-CG 4.47Å; L343-L486 HydrophobicContact CD2-CD1 4.41Å; L343-L486 HydrophobicContact CD2-CD2 4.28Å
344	F	92.7	Very high	91.9	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-120.3	11.4	-165.8	-62.6	-68.3	0	0	0	114.7	F340 W367 R377 V414 Y435 I437	F340-F344 HydrophobicContact CD2-CB 4.02Å; F340-F344 AromaticContact CD2-CD2 3.45Å; F340-F344 HydrophobicContact CD2-CD2 3.45Å; F340-F344 VanDerWaalsContact CD2-CD2 3.45Å; F340-F344 HydrophobicContact CD2-CE2 4.31Å; F340-F344 HydrophobicContact CD2-CG 4.04Å; F340-F344 HydrophobicContact CE1-CB 4.26Å; F340-F344 HydrophobicContact CE2-CB 3.68Å; F340-F344 AromaticContact CE2-CD2 3.7Å; F340-F344 HydrophobicContact CE2-CD2 3.7Å; F340-F344 AromaticContact CE2-CG 3.84Å; F340-F344 HydrophobicContact CE2-CG 3.84Å; F340-F344 HydrophobicContact CG-CB 4.43Å; F340-F344 HydrophobicContact CG-CD2 4.23Å; F340-F344 HydrophobicContact CZ-CB 3.81Å; F340-F344 HydrophobicContact CZ-CG 4.45Å; F340-F344 WeakPolarHBondContact O-CA 3.23Å; F340-F344 VanDerWaalsContact O-CB 3.31Å; F340-F344 WeakPolarHBondContact O-CB 3.38Å; F340-F344 PolarHBondContact O-N 3.13Å; F344-W367 HydrophobicContact CB-CZ2 4.17Å; F344-W367 HydrophobicContact CD1-CZ2 4.41Å; F344-W367 PolarHBondContact O-NE1 3.04Å; F344-R377 VanDerWaalsContact O-CZ 3.31Å; F344-R377 PolarHBondContact O-NH1 2.97Å; F344-R377 VanDerWaalsContact O-NH1 3.11Å; F344-R377 PolarHBondContact O-NH2 3.26Å; F344-V414 HydrophobicContact CD1-CG1 4.14Å; F344-V414 HydrophobicContact CD1-CG2 4.26Å; F344-V414 HydrophobicContact CD2-CG2 4.23Å; F344-V414 HydrophobicContact CE1-CB 3.88Å; F344-V414 HydrophobicContact CE1-CG1 3.63Å; F344-V414 HydrophobicContact CE1-CG2 4.02Å; F344-V414 HydrophobicContact CE2-CB 4.37Å; F344-V414 HydrophobicContact CE2-CG2 3.97Å; F344-V414 HydrophobicContact CG-CG2 4.37Å; F344-V414 HydrophobicContact CZ-CB 3.79Å; F344-V414 HydrophobicContact CZ-CG1 4.08Å; F344-V414 HydrophobicContact CZ-CG2 3.86Å; F344-Y435 HydrophobicContact CE1-CD2 4.44Å; F344-Y435 HydrophobicContact CZ-CD1 4.1Å; F344-Y435 AromaticContact CZ-CD2 3.96Å; F344-Y435 HydrophobicContact CZ-CD2 3.96Å; F344-Y435 AromaticContact CZ-CG 3.73Å; F344-Y435 HydrophobicContact CZ-CG 3.73Å; F344-I437 HydrophobicContact CD2-CD1 4.36Å; F344-I437 HydrophobicContact CE2-CD1 4.05Å
345	T	89.8	Confident	91.7	Very high	54 Å²	54	44.6 Å²	44.6	33%	0.331	23%	0.231	S	C	.	.	S	Bend	trans	-123.2	172.4	165.9	75	0	0	0	0	111.3	E341 S347 T350	E341-T345 HydrophobicContact CG-CG2 4.36Å; E341-T345 WeakPolarHBondContact O-CB 3.39Å; E341-T345 PolarHBondContact O-N 3.06Å; E341-T345 PolarHBondContact O-OG1 3.12Å; T345-S347 PolarHBondContact O-N 2.86Å; T345-T350 PolarHBondContact O-OG1 2.87Å
346	D	86.3	Confident	91.5	Very high	119 Å²	119	46.7 Å²	46.7	64%	0.636	24%	0.238	S	C	*	.	S	Bend	trans	-76.2	67.3	170.7	-173.1	25.4	0	0	0	110.1	Q351	D346-Q351 VanDerWaalsContact CG-NE2 3.32Å; D346-Q351 PolarHBondContact OD1-NE2 3.28Å; D346-Q351 PolarHBondContact OD2-NE2 3.32Å
347	S	90.6	Very high	91.1	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.063	25%	0.249	C	C	.	.			trans	-87.2	156.1	-176.3	87.2	0	0	0	0	111	L342 T345 F349 T350 Q351	L342-S347 PolarHBondContact O-OG 2.97Å; L342-S347 VanDerWaalsContact O-OG 3.05Å; T345-S347 PolarHBondContact O-N 2.86Å; S347-F349 PolarHBondContact O-N 2.89Å; S347-F349 VanDerWaalsContact O-N 3.16Å; S347-F349 PolarHBondContact OG-N 2.92Å; S347-T350 PolarHBondContact N-OG1 3.03Å; S347-T350 WeakPolarHBondContact O-CB 3.47Å; S347-T350 PolarHBondContact O-N 2.86Å; S347-T350 PolarHBondContact OG-N 3.42Å; S347-T350 VanDerWaalsContact OG-N 3.08Å; S347-T350 PolarHBondContact OG-OG1 3.39Å; S347-Q351 PolarHBondContact O-N 3.4Å
348	S	89.5	Confident	90.9	Very high	70 Å²	70	51 Å²	51	49%	0.49	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-26.7	175.5	77.2	0	0	0	0	112.9	R352	S348-R352 VanDerWaalsContact CB-NH1 3.34Å; S348-R352 WeakPolarHBondContact O-CG 3.43Å; S348-R352 PolarHBondContact O-N 3.21Å; S348-R352 VanDerWaalsContact O-N 3.12Å; S348-R352 PolarHBondContact O-NH1 2.77Å; S348-R352 PolarHBondContact OG-NH1 2.75Å
349	F	93.1	Very high	90.7	Very high	5 Å²	5	49.3 Å²	49.3	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-47.9	171.4	171	-87.6	0	0	0	111	L342 L343 S347 Q351 R352 F353 L482 E485 L486 E489	L342-F349 HydrophobicContact CB-CD1 4.3Å; L342-F349 HydrophobicContact CD2-CB 3.61Å; L342-F349 HydrophobicContact CD2-CG 4.19Å; L342-F349 WeakPolarHBondContact O-CD1 3.22Å; L343-F349 HydrophobicContact CD2-CE1 4.07Å; S347-F349 PolarHBondContact O-N 2.89Å; S347-F349 VanDerWaalsContact O-N 3.16Å; S347-F349 PolarHBondContact OG-N 2.92Å; F349-Q351 VanDerWaalsContact C-N 3.26Å; F349-Q351 PolarHBondContact O-N 2.86Å; F349-R352 PolarHBondContact O-N 2.91Å; F349-F353 HydrophobicContact CE1-CB 4.49Å; F349-F353 WeakPolarHBondContact O-CB 3.49Å; F349-F353 PolarHBondContact O-N 2.78Å; F349-L482 HydrophobicContact CE1-CD1 4.02Å; F349-L482 HydrophobicContact CZ-CD1 4.05Å; F349-E485 HydrophobicContact CE2-CB 3.58Å; F349-E485 HydrophobicContact CZ-CB 3.9Å; F349-L486 HydrophobicContact CE1-CD2 3.93Å; F349-L486 HydrophobicContact CE1-CG 4.41Å; F349-L486 HydrophobicContact CE2-CD2 3.97Å; F349-L486 HydrophobicContact CE2-CG 4.26Å; F349-L486 HydrophobicContact CZ-CD2 3.54Å; F349-L486 HydrophobicContact CZ-CG 3.71Å; F349-E489 HydrophobicContact CD2-CB 4.07Å; F349-E489 HydrophobicContact CD2-CG 4.07Å; F349-E489 HydrophobicContact CE2-CB 4.33Å
350	T	90.3	Very high	90.4	Very high	21 Å²	21	52.2 Å²	52.2	13%	0.129	27%	0.27	C	S	.	.	H	α-helix	trans	-54.2	-45.9	177.2	-41.2	0	0	0	0	110.8	L342 T345 S347 F353 M354	L342-T350 PolarHBondContact O-OG1 3.41Å; T345-T350 PolarHBondContact O-OG1 2.87Å; S347-T350 PolarHBondContact N-OG1 3.03Å; S347-T350 WeakPolarHBondContact O-CB 3.47Å; S347-T350 PolarHBondContact O-N 2.86Å; S347-T350 PolarHBondContact OG-N 3.42Å; S347-T350 VanDerWaalsContact OG-N 3.08Å; S347-T350 PolarHBondContact OG-OG1 3.39Å; T350-F353 PolarHBondContact O-N 3.08Å; T350-M354 HydrophobicContact CG2-CE 3.94Å; T350-M354 HydrophobicContact CG2-SD 4.42Å; T350-M354 WeakPolarHBondContact O-CB 3.36Å; T350-M354 WeakPolarHBondContact O-CG 3.18Å; T350-M354 PolarHBondContact O-N 3.25Å
351	Q	90.1	Very high	90	Very high	104 Å²	104	57 Å²	57	49%	0.486	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-46.1	179.9	-65.5	175.9	0.4	0	0	112.2	D346 S347 F349 F353 M354 E355	D346-Q351 VanDerWaalsContact CG-NE2 3.32Å; D346-Q351 PolarHBondContact OD1-NE2 3.28Å; D346-Q351 PolarHBondContact OD2-NE2 3.32Å; S347-Q351 PolarHBondContact O-N 3.4Å; F349-Q351 VanDerWaalsContact C-N 3.26Å; F349-Q351 PolarHBondContact O-N 2.86Å; Q351-F353 PolarHBondContact O-N 3.4Å; Q351-M354 PolarHBondContact O-N 2.84Å; Q351-E355 PolarHBondContact O-N 2.9Å
352	R	90.4	Very high	89.8	Confident	87 Å²	87	56.8 Å²	56.8	33%	0.328	30%	0.303	S	S	.	.	H	α-helix	trans	-58.2	-47.2	173.6	-76.9	-170.8	-63.1	-80.8	13.3	111.8	S348 F349 M354 E355 I356 E489	S348-R352 VanDerWaalsContact CB-NH1 3.34Å; S348-R352 WeakPolarHBondContact O-CG 3.43Å; S348-R352 PolarHBondContact O-N 3.21Å; S348-R352 VanDerWaalsContact O-N 3.12Å; S348-R352 PolarHBondContact O-NH1 2.77Å; S348-R352 PolarHBondContact OG-NH1 2.75Å; F349-R352 PolarHBondContact O-N 2.91Å; R352-M354 PolarHBondContact O-N 3.13Å; R352-E355 PolarHBondContact O-N 2.97Å; R352-I356 VanDerWaalsContact O-CG1 3.29Å; R352-I356 WeakPolarHBondContact O-CG1 3.48Å; R352-I356 PolarHBondContact O-N 2.79Å; R352-E489 IonicContact CZ-OE2 3.95Å; R352-E489 VanDerWaalsContact NH2-CD 3.25Å; R352-E489 IonicContact NH2-OE1 3.43Å; R352-E489 PolarHBondContact NH2-OE1 3.35Å; R352-E489 VanDerWaalsContact NH2-OE1 3.11Å; R352-E489 IonicContact NH2-OE2 2.92Å; R352-E489 PolarHBondContact NH2-OE2 2.82Å
353	F	91.7	Very high	89.6	Confident	10 Å²	10	59.9 Å²	59.9	4%	0.044	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-41.2	-179.2	178.3	-111.2	0	0	0	112	F349 T350 Q351 I356 R357 Y478 Q481 L482 E485	F349-F353 HydrophobicContact CE1-CB 4.49Å; F349-F353 WeakPolarHBondContact O-CB 3.49Å; F349-F353 PolarHBondContact O-N 2.78Å; T350-F353 PolarHBondContact O-N 3.08Å; Q351-F353 PolarHBondContact O-N 3.4Å; F353-I356 PolarHBondContact O-N 3.02Å; F353-R357 HydrophobicContact CD2-CG 4.23Å; F353-R357 HydrophobicContact CE1-CG 4.31Å; F353-R357 HydrophobicContact CE2-CG 3.87Å; F353-R357 HydrophobicContact CZ-CG 3.92Å; F353-R357 WeakPolarHBondContact O-CB 3.19Å; F353-R357 VanDerWaalsContact O-CG 3.27Å; F353-R357 WeakPolarHBondContact O-CG 3.49Å; F353-R357 PolarHBondContact O-N 3.49Å; F353-Y478 HydrophobicContact CE1-CD2 4.29Å; F353-Y478 AromaticContact CE1-CE2 3.48Å; F353-Y478 HydrophobicContact CE1-CE2 3.48Å; F353-Y478 VanDerWaalsContact CE1-CE2 3.48Å; F353-Y478 AromaticContact CE1-CZ 3.66Å; F353-Y478 AromaticContact CZ-CD2 3.99Å; F353-Y478 HydrophobicContact CZ-CD2 3.99Å; F353-Y478 AromaticContact CZ-CE2 3.63Å; F353-Y478 HydrophobicContact CZ-CE2 3.63Å; F353-Y478 AromaticContact CZ-CZ 3.94Å; F353-Q481 HydrophobicContact CE2-CB 4.16Å; F353-Q481 HydrophobicContact CE2-CG 4.15Å; F353-L482 HydrophobicContact CD1-CD1 4.12Å; F353-L482 HydrophobicContact CD2-CD1 4.24Å; F353-L482 HydrophobicContact CE1-CD1 3.87Å; F353-L482 HydrophobicContact CE2-CB 3.99Å; F353-L482 HydrophobicContact CE2-CD1 3.99Å; F353-L482 HydrophobicContact CG-CD1 4.3Å; F353-L482 HydrophobicContact CZ-CB 3.88Å; F353-L482 HydrophobicContact CZ-CD1 3.79Å; F353-L482 HydrophobicContact CZ-CG 4.41Å; F353-E485 HydrophobicContact CD2-CG 3.99Å
354	M	90.2	Very high	89.5	Confident	30 Å²	30	62 Å²	62	15%	0.148	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-44.9	173.4	-75.4	178.2	177	0	0	112.2	T350 Q351 R352 R357 S358 I359 P362	T350-M354 HydrophobicContact CG2-CE 3.94Å; T350-M354 HydrophobicContact CG2-SD 4.42Å; T350-M354 WeakPolarHBondContact O-CB 3.36Å; T350-M354 WeakPolarHBondContact O-CG 3.18Å; T350-M354 PolarHBondContact O-N 3.25Å; Q351-M354 PolarHBondContact O-N 2.84Å; R352-M354 PolarHBondContact O-N 3.13Å; M354-R357 CarbonylContact O-C 3.54Å; M354-R357 PolarHBondContact O-N 2.88Å; M354-S358 PolarHBondContact O-N 3.29Å; M354-I359 HydrophobicContact CB-CB 4.04Å; M354-I359 HydrophobicContact CB-CG2 4.4Å; M354-I359 HydrophobicContact CG-CB 4.28Å; M354-I359 HydrophobicContact CG-CD1 4.36Å; M354-I359 HydrophobicContact CG-CG2 4.26Å; M354-I359 WeakPolarHBondContact O-CB 3.28Å; M354-I359 PolarHBondContact O-N 3.41Å; M354-P362 HydrophobicContact CE-CB 4.39Å; M354-P362 HydrophobicContact SD-CB 3.62Å; M354-P362 HydrophobicContact SD-CG 4.05Å
355	E	89.4	Confident	89.5	Confident	152 Å²	152	64.5 Å²	64.5	71%	0.71	36%	0.357	S	S	*	.	H	α-helix	trans	-60.1	-48.8	176.6	-174.1	177.8	-158.5	0	0	111.7	Q351 R352 R357 S358	Q351-E355 PolarHBondContact O-N 2.9Å; R352-E355 PolarHBondContact O-N 2.97Å; E355-R357 VanDerWaalsContact C-N 3.27Å; E355-R357 PolarHBondContact O-N 3.35Å; E355-S358 PolarHBondContact O-N 3.43Å
356	I	88.3	Confident	89.5	Confident	84 Å²	84	65.6 Å²	65.6	43%	0.431	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-38.2	177.6	-69.4	165.3	0	0	0	111.5	R352 F353 S358 Q481 E485	R352-I356 VanDerWaalsContact O-CG1 3.29Å; R352-I356 WeakPolarHBondContact O-CG1 3.48Å; R352-I356 PolarHBondContact O-N 2.79Å; F353-I356 PolarHBondContact O-N 3.02Å; I356-S358 PolarHBondContact O-N 3.49Å; I356-Q481 HydrophobicContact CG2-CG 4.37Å; I356-E485 VanDerWaalsContact CD1-OE2 3.31Å; I356-E485 WeakPolarHBondContact CD1-OE2 3.21Å
357	R	86.3	Confident	89.8	Confident	64 Å²	64	63.1 Å²	63.1	24%	0.242	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	3.4	176.1	-66.3	-58.1	-60.7	-154.2	-11.2	114.2	F353 M354 E355 I359 D477	F353-R357 HydrophobicContact CD2-CG 4.23Å; F353-R357 HydrophobicContact CE1-CG 4.31Å; F353-R357 HydrophobicContact CE2-CG 3.87Å; F353-R357 HydrophobicContact CZ-CG 3.92Å; F353-R357 WeakPolarHBondContact O-CB 3.19Å; F353-R357 VanDerWaalsContact O-CG 3.27Å; F353-R357 WeakPolarHBondContact O-CG 3.49Å; F353-R357 PolarHBondContact O-N 3.49Å; M354-R357 CarbonylContact O-C 3.54Å; M354-R357 PolarHBondContact O-N 2.88Å; E355-R357 VanDerWaalsContact C-N 3.27Å; E355-R357 PolarHBondContact O-N 3.35Å; R357-I359 HydrophobicContact CB-CD1 3.86Å; R357-I359 HydrophobicContact CB-CG1 3.87Å; R357-I359 PolarHBondContact O-N 3.47Å; R357-D477 PolarHBondContact NH1-O 2.92Å
358	S	87.9	Confident	89.7	Confident	69 Å²	69	68.6 Å²	68.6	48%	0.483	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	38.6	-174.1	-59	0	0	0	0	112.6	M354 E355 I356 A384	M354-S358 PolarHBondContact O-N 3.29Å; E355-S358 PolarHBondContact O-N 3.43Å; I356-S358 PolarHBondContact O-N 3.49Å; S358-A384 PolarHBondContact O-N 3.29Å
359	I	89	Confident	89.8	Confident	18 Å²	18	72.5 Å²	72.5	9%	0.092	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.5	171.4	-61.6	173.8	0	0	0	107.7	M354 R357 Y381 T382 V383	M354-I359 HydrophobicContact CB-CB 4.04Å; M354-I359 HydrophobicContact CB-CG2 4.4Å; M354-I359 HydrophobicContact CG-CB 4.28Å; M354-I359 HydrophobicContact CG-CD1 4.36Å; M354-I359 HydrophobicContact CG-CG2 4.26Å; M354-I359 WeakPolarHBondContact O-CB 3.28Å; M354-I359 PolarHBondContact O-N 3.41Å; R357-I359 HydrophobicContact CB-CD1 3.86Å; R357-I359 HydrophobicContact CB-CG1 3.87Å; R357-I359 PolarHBondContact O-N 3.47Å; I359-Y381 HydrophobicContact CG2-CD2 3.85Å; I359-Y381 HydrophobicContact CG2-CG 3.96Å; I359-T382 CarbonylContact C-O 3.55Å; I359-T382 WeakPolarHBondContact CA-O 3.33Å; I359-V383 HydrophobicContact CG1-CB 4.32Å; I359-V383 HydrophobicContact CG1-CG2 4.11Å
360	T	87.7	Confident	89.5	Confident	62 Å²	62	73.8 Å²	73.8	38%	0.38	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	158	-173.1	55.1	0	0	0	0	111	P362 T382	T360-P362 VanDerWaalsContact C-CD 3.42Å; T360-T382 PolarHBondContact N-O 2.81Å; T360-T382 PolarHBondContact O-N 3.09Å; T360-T382 PolarHBondContact OG1-O 2.88Å
361	N	86.3	Confident	89.1	Confident	130 Å²	130	81.3 Å²	81.3	70%	0.695	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.3	46.4	-176.5	-52.4	-34.2	0	0	0	114.5	S363	N361-S363 PolarHBondContact O-N 3.31Å
362	P	89.3	Confident	88.6	Confident	76 Å²	76	79.8 Å²	79.8	49%	0.494	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.3	176.4	30.9	-35	0	0	0	110.7	M354 T360	M354-P362 HydrophobicContact CE-CB 4.39Å; M354-P362 HydrophobicContact SD-CB 3.62Å; M354-P362 HydrophobicContact SD-CG 4.05Å; T360-P362 VanDerWaalsContact C-CD 3.42Å
363	S	89.6	Confident	88.2	Confident	69 Å²	69	77.3 Å²	77.3	48%	0.483	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143	172.9	58	0	0	0	0	108.5	N361 L379 S380	N361-S363 PolarHBondContact O-N 3.31Å; S363-L379 CarbonylContact O-C 3.55Å; S363-L379 VanDerWaalsContact O-CA 3.25Å; S363-L379 WeakPolarHBondContact O-CA 3.44Å; S363-S380 PolarHBondContact N-O 2.88Å; S363-S380 PolarHBondContact O-N 3.44Å; S363-S380 PolarHBondContact OG-O 3.43Å
364	S	90.4	Very high	88.2	Confident	67 Å²	67	78.1 Å²	78.1	47%	0.469	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.6	177.7	67.1	0	0	0	0	111.4	V378	S364-V378 WeakPolarHBondContact CA-O 3.25Å
365	T	92.8	Very high	88.3	Confident	55 Å²	55	78.3 Å²	78.3	34%	0.337	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-81.5	155.5	169.8	71.3	0	0	0	0	110.3	R377 V378	T365-R377 WeakPolarHBondContact OG1-CA 3.33Å; T365-R377 WeakPolarHBondContact OG1-CB 3.3Å; T365-V378 HydrophobicContact CG2-CB 4.28Å; T365-V378 PolarHBondContact N-O 3.24Å; T365-V378 PolarHBondContact OG1-N 3.34Å
366	A	90.8	Very high	88.5	Confident	76 Å²	76	75.3 Å²	75.3	63%	0.628	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-58.2	154.9	161.4	0	0	0	0	0	110.8
367	W	91.4	Very high	88.8	Confident	67 Å²	67	72.1 Å²	72.1	25%	0.254	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-64.9	131.8	168.9	-68.3	103	0	0	0	109.9	F344 D375 K376 R377 Q400 L402 V414	F344-W367 HydrophobicContact CB-CZ2 4.17Å; F344-W367 HydrophobicContact CD1-CZ2 4.41Å; F344-W367 PolarHBondContact O-NE1 3.04Å; W367-D375 HydrophobicContact CE3-CB 4.06Å; W367-D375 WeakPolarHBondContact CZ3-O 3.34Å; W367-K376 CarbonylContact C-O 3.6Å; W367-K376 WeakPolarHBondContact CA-O 3.27Å; W367-R377 HydrophobicContact CD2-CB 4.22Å; W367-R377 HydrophobicContact CD2-CG 3.91Å; W367-R377 VanDerWaalsContact CE2-CD 3.46Å; W367-R377 HydrophobicContact CE3-CB 4.1Å; W367-R377 HydrophobicContact CE3-CG 3.82Å; W367-R377 HydrophobicContact CH2-CG 3.94Å; W367-R377 HydrophobicContact CZ2-CG 4.01Å; W367-R377 HydrophobicContact CZ3-CG 3.83Å; W367-Q400 HydrophobicContact CH2-CB 3.86Å; W367-Q400 HydrophobicContact CZ3-CB 4.25Å; W367-L402 HydrophobicContact CE3-CB 4.35Å; W367-L402 HydrophobicContact CH2-CB 4.08Å; W367-L402 HydrophobicContact CZ3-CB 3.79Å; W367-V414 HydrophobicContact CH2-CG1 4.24Å
368	Q	90.3	Very high	89.2	Confident	124 Å²	124	71.8 Å²	71.8	58%	0.579	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.1	-177.7	-72.2	167.8	83.8	0	0	109.5	K376	Q368-K376 PolarHBondContact N-O 3.11Å; Q368-K376 PolarHBondContact O-N 3.49Å
369	K	90.4	Very high	89.5	Confident	153 Å²	153	69.2 Å²	69.2	67%	0.665	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.2	179.4	-66.4	-169.8	-177.9	-120.5	0	111.7	N374 D375	K369-N374 CarbonylContact C-O 3.55Å; K369-N374 WeakPolarHBondContact CA-O 3.4Å; K369-D375 WeakPolarHBondContact CE-OD1 3.19Å; K369-D375 WeakPolarHBondContact CE-OD2 3.34Å; K369-D375 WeakPolarHBondContact CG-OD1 3.33Å; K369-D375 IonicContact NZ-OD2 2.79Å; K369-D375 PolarHBondContact NZ-OD2 3.16Å
370	D	86.3	Confident	89.7	Confident	31 Å²	31	70.4 Å²	70.4	17%	0.166	40%	0.404	C	S	.	.			trans	-92.8	168.4	172.7	77	6.8	0	0	0	112.6	S372 G373 N374 K376	D370-S372 PolarHBondContact O-N 2.94Å; D370-S372 VanDerWaalsContact OD1-CA 3.29Å; D370-S372 WeakPolarHBondContact OD1-CA 3.3Å; D370-S372 VanDerWaalsContact OD1-CB 3.27Å; D370-S372 WeakPolarHBondContact OD1-CB 3.43Å; D370-S372 PolarHBondContact OD1-N 2.92Å; D370-G373 PolarHBondContact O-N 3.38Å; D370-G373 PolarHBondContact OD1-N 2.96Å; D370-N374 PolarHBondContact N-O 3.37Å; D370-N374 PolarHBondContact OD1-N 3.46Å; D370-K376 HydrophobicContact CB-CD 4.14Å; D370-K376 WeakPolarHBondContact OD2-CE 3.43Å; D370-K376 IonicContact OD2-NZ 3.13Å; D370-K376 PolarHBondContact OD2-NZ 2.91Å
371	D	81.9	Confident	90	Very high	179 Å²	179	68.7 Å²	68.7	96%	0.957	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.9	178.8	-49.1	-69.2	0	0	0	113.7
372	S	79.9	Confident	90.2	Very high	73 Å²	73	63.9 Å²	63.9	51%	0.51	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.1	176.3	-59.1	0	0	0	0	113.4	D370 K404	D370-S372 PolarHBondContact O-N 2.94Å; D370-S372 VanDerWaalsContact OD1-CA 3.29Å; D370-S372 WeakPolarHBondContact OD1-CA 3.3Å; D370-S372 VanDerWaalsContact OD1-CB 3.27Å; D370-S372 WeakPolarHBondContact OD1-CB 3.43Å; D370-S372 PolarHBondContact OD1-N 2.92Å; S372-K404 PolarHBondContact O-NZ 3.27Å
373	G	83.4	Confident	90.3	Very high	34 Å²	34	61.8 Å²	61.8	35%	0.351	35%	0.351	S	S	.	.	S	Bend	trans	89.6	4.2	179.9	0	0	0	0	0	115.3	D370 K404	D370-G373 PolarHBondContact O-N 3.38Å; D370-G373 PolarHBondContact OD1-N 2.96Å; G373-K404 WeakPolarHBondContact O-CB 3.3Å
374	N	90.1	Very high	90.1	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.144	34%	0.342	C	S	.	.			trans	-90	149.4	-179.9	-54.5	-65.6	0	0	0	110.9	K369 D370 T401 L402 S403 K404	K369-N374 CarbonylContact C-O 3.55Å; K369-N374 WeakPolarHBondContact CA-O 3.4Å; D370-N374 PolarHBondContact N-O 3.37Å; D370-N374 PolarHBondContact OD1-N 3.46Å; N374-T401 HydrophobicContact CB-CG2 3.79Å; N374-L402 WeakPolarHBondContact CB-O 3.42Å; N374-S403 WeakPolarHBondContact OD1-CA 3.39Å; N374-K404 PolarHBondContact OD1-N 2.83Å
375	D	92	Very high	89.7	Confident	34 Å²	34	58.8 Å²	58.8	18%	0.182	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.3	173.2	-80.8	-77.9	0	0	0	109.6	W367 K369 T401 L402	W367-D375 HydrophobicContact CE3-CB 4.06Å; W367-D375 WeakPolarHBondContact CZ3-O 3.34Å; K369-D375 WeakPolarHBondContact CE-OD1 3.19Å; K369-D375 WeakPolarHBondContact CE-OD2 3.34Å; K369-D375 WeakPolarHBondContact CG-OD1 3.33Å; K369-D375 IonicContact NZ-OD2 2.79Å; K369-D375 PolarHBondContact NZ-OD2 3.16Å; D375-T401 CarbonylContact O-C 3.48Å; D375-T401 WeakPolarHBondContact O-CA 3.36Å; D375-L402 HydrophobicContact CB-CB 4.15Å; D375-L402 HydrophobicContact CB-CD2 4.23Å; D375-L402 PolarHBondContact N-O 3.5Å; D375-L402 VanDerWaalsContact N-O 3.14Å; D375-L402 PolarHBondContact O-N 2.93Å
376	K	93.9	Very high	88.7	Confident	90 Å²	90	64.3 Å²	64.3	39%	0.391	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.2	-177.8	-79.3	179.6	173.3	155	0	112.8	W367 Q368 D370 Q400 T401	W367-K376 CarbonylContact C-O 3.6Å; W367-K376 WeakPolarHBondContact CA-O 3.27Å; Q368-K376 PolarHBondContact N-O 3.11Å; Q368-K376 PolarHBondContact O-N 3.49Å; D370-K376 HydrophobicContact CB-CD 4.14Å; D370-K376 WeakPolarHBondContact OD2-CE 3.43Å; D370-K376 IonicContact OD2-NZ 3.13Å; D370-K376 PolarHBondContact OD2-NZ 2.91Å; K376-Q400 CarbonylContact C-O 3.59Å; K376-Q400 VanDerWaalsContact CA-O 3.31Å; K376-Q400 WeakPolarHBondContact CA-O 3.35Å; K376-T401 HydrophobicContact CD-CG2 4.45Å; K376-T401 WeakPolarHBondContact CE-OG1 3.35Å; K376-T401 HydrophobicContact CG-CG2 3.86Å
377	R	94.7	Very high	87.8	Confident	17 Å²	17	62.3 Å²	62.3	6%	0.064	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.9	167.2	67.4	174.6	-176.6	165.4	4.4	112	F344 T365 W367 L379 Q400	F344-R377 VanDerWaalsContact O-CZ 3.31Å; F344-R377 PolarHBondContact O-NH1 2.97Å; F344-R377 VanDerWaalsContact O-NH1 3.11Å; F344-R377 PolarHBondContact O-NH2 3.26Å; T365-R377 WeakPolarHBondContact OG1-CA 3.33Å; T365-R377 WeakPolarHBondContact OG1-CB 3.3Å; W367-R377 HydrophobicContact CD2-CB 4.22Å; W367-R377 HydrophobicContact CD2-CG 3.91Å; W367-R377 VanDerWaalsContact CE2-CD 3.46Å; W367-R377 HydrophobicContact CE3-CB 4.1Å; W367-R377 HydrophobicContact CE3-CG 3.82Å; W367-R377 HydrophobicContact CH2-CG 3.94Å; W367-R377 HydrophobicContact CZ2-CG 4.01Å; W367-R377 HydrophobicContact CZ3-CG 3.83Å; R377-L379 HydrophobicContact CG-CD1 4.13Å; R377-Q400 HydrophobicContact CG-CB 4.02Å; R377-Q400 VanDerWaalsContact CZ-OE1 3.24Å; R377-Q400 PolarHBondContact N-O 3.08Å; R377-Q400 PolarHBondContact O-N 2.93Å
378	V	95.1	Very high	86.7	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.345	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.1	173.3	-177.7	0	0	0	0	109	S364 T365 T397	S364-V378 WeakPolarHBondContact CA-O 3.25Å; T365-V378 HydrophobicContact CG2-CB 4.28Å; T365-V378 PolarHBondContact N-O 3.24Å; T365-V378 PolarHBondContact OG1-N 3.34Å; V378-T397 HydrophobicContact CG1-CG2 3.65Å
379	L	93.9	Very high	85.3	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.073	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.5	167.1	-58	85.1	0	0	0	108.8	S363 R377 Y381 T397 E398 Q400	S363-L379 CarbonylContact O-C 3.55Å; S363-L379 VanDerWaalsContact O-CA 3.25Å; S363-L379 WeakPolarHBondContact O-CA 3.44Å; R377-L379 HydrophobicContact CG-CD1 4.13Å; L379-Y381 HydrophobicContact CB-CD1 4.24Å; L379-Y381 HydrophobicContact CB-CE1 4.28Å; L379-T397 CarbonylContact O-C 3.58Å; L379-T397 WeakPolarHBondContact O-CA 3.44Å; L379-E398 HydrophobicContact CB-CB 4.34Å; L379-E398 PolarHBondContact N-O 2.93Å; L379-E398 PolarHBondContact O-N 3.39Å; L379-Q400 HydrophobicContact CD1-CB 4.47Å; L379-Q400 HydrophobicContact CD1-CG 3.74Å
380	S	93.4	Very high	84.3	Confident	44 Å²	44	59.7 Å²	59.7	31%	0.308	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.8	171	-73.6	0	0	0	0	109.5	S363 A396 T397	S363-S380 PolarHBondContact N-O 2.88Å; S363-S380 PolarHBondContact O-N 3.44Å; S363-S380 PolarHBondContact OG-O 3.43Å; S380-A396 WeakPolarHBondContact CA-O 3.45Å; S380-T397 PolarHBondContact OG-OG1 2.9Å
381	Y	94	Very high	83.4	Confident	26 Å²	26	59.9 Å²	59.9	10%	0.102	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.8	-174	50.9	-100.2	0	0	0	111.6	I359 L379 T395 A396 E398	I359-Y381 HydrophobicContact CG2-CD2 3.85Å; I359-Y381 HydrophobicContact CG2-CG 3.96Å; L379-Y381 HydrophobicContact CB-CD1 4.24Å; L379-Y381 HydrophobicContact CB-CE1 4.28Å; Y381-T395 CarbonylContact O-C 3.58Å; Y381-T395 WeakPolarHBondContact O-CA 3.49Å; Y381-A396 HydrophobicContact CD2-CB 4.01Å; Y381-A396 HydrophobicContact CE2-CB 3.7Å; Y381-A396 PolarHBondContact N-O 3.46Å; Y381-A396 PolarHBondContact O-N 3.21Å; Y381-E398 HydrophobicContact CE1-CB 3.94Å; Y381-E398 WeakPolarHBondContact CE1-OE2 3.33Å; Y381-E398 PolarHBondContact OH-OE2 3.37Å
382	T	91.4	Very high	83.3	Confident	28 Å²	28	59.5 Å²	59.5	17%	0.172	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.6	177.8	-54.1	0	0	0	0	110.1	I359 T360 F393 S394	I359-T382 CarbonylContact C-O 3.55Å; I359-T382 WeakPolarHBondContact CA-O 3.33Å; T360-T382 PolarHBondContact N-O 2.81Å; T360-T382 PolarHBondContact O-N 3.09Å; T360-T382 PolarHBondContact OG1-O 2.88Å; T382-F393 HydrophobicContact CG2-CB 4.22Å; T382-S394 CarbonylContact C-O 3.51Å; T382-S394 WeakPolarHBondContact CA-O 3.31Å
383	V	90	Very high	83.6	Confident	33 Å²	33	62.1 Å²	62.1	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.3	-178	61.5	0	0	0	0	111.3	I359 I385 F393 S394	I359-V383 HydrophobicContact CG1-CB 4.32Å; I359-V383 HydrophobicContact CG1-CG2 4.11Å; V383-I385 HydrophobicContact CG1-CG1 4.47Å; V383-F393 CarbonylContact O-C 3.59Å; V383-F393 VanDerWaalsContact O-CA 3.31Å; V383-F393 WeakPolarHBondContact O-CA 3.32Å; V383-S394 WeakPolarHBondContact CG1-O 3.39Å; V383-S394 PolarHBondContact N-O 2.87Å; V383-S394 PolarHBondContact O-N 2.92Å
384	A	85.4	Confident	83.9	Confident	34 Å²	34	60.5 Å²	60.5	28%	0.281	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.2	170	0	0	0	0	0	111.1	S358 K392 F393	S358-A384 PolarHBondContact O-N 3.29Å; A384-K392 WeakPolarHBondContact CA-O 3.36Å; A384-F393 HydrophobicContact CB-CD1 3.96Å; A384-F393 HydrophobicContact CB-CE1 3.98Å
385	I	82.4	Confident	84	Confident	38 Å²	38	61.9 Å²	61.9	20%	0.195	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.5	-177.8	-62.7	-177.4	0	0	0	109.5	V383 N387 I390 G391 K392 V423	V383-I385 HydrophobicContact CG1-CG1 4.47Å; I385-N387 HydrophobicContact CG2-CB 3.87Å; I385-N387 PolarHBondContact O-N 2.84Å; I385-N387 VanDerWaalsContact O-N 3.08Å; I385-I390 HydrophobicContact CD1-CG2 3.85Å; I385-I390 HydrophobicContact CG2-CB 4.05Å; I385-I390 HydrophobicContact CG2-CG2 3.94Å; I385-G391 VanDerWaalsContact O-O 3.09Å; I385-K392 PolarHBondContact N-O 2.96Å; I385-V423 HydrophobicContact CD1-CG1 3.69Å
386	N	71.4	Confident	84.1	Confident	172 Å²	172	60.4 Å²	60.4	92%	0.92	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	53.1	177.5	-165.8	14.5	0	0	0	111.7
387	N	73.4	Confident	84.2	Confident	33 Å²	33	57.6 Å²	57.6	18%	0.176	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	112.6	179.1	-171.7	-26.3	0	0	0	111	I385 L389 I390 G391 N470	I385-N387 HydrophobicContact CG2-CB 3.87Å; I385-N387 PolarHBondContact O-N 2.84Å; I385-N387 VanDerWaalsContact O-N 3.08Å; N387-L389 PolarHBondContact O-N 3.21Å; N387-L389 PolarHBondContact OD1-N 3.07Å; N387-L389 VanDerWaalsContact OD1-N 3.08Å; N387-I390 HydrophobicContact CB-CB 4.29Å; N387-I390 HydrophobicContact CB-CD1 4.09Å; N387-I390 HydrophobicContact CB-CG1 4.23Å; N387-I390 WeakPolarHBondContact ND2-CD1 3.48Å; N387-I390 PolarHBondContact O-N 3.24Å; N387-I390 VanDerWaalsContact O-N 3.1Å; N387-G391 PolarHBondContact O-N 3.43Å; N387-N470 PolarHBondContact ND2-OD1 2.84Å
388	P	67.1	Low	84.2	Confident	131 Å²	131	57.2 Å²	57.2	85%	0.851	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.3	-174.3	28.6	-36.3	0	0	0	114.3
389	L	60.4	Low	84.3	Confident	124 Å²	124	57.2 Å²	57.2	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.8	177.6	-59.8	176.3	0	0	0	113.9	N387 F466	N387-L389 PolarHBondContact O-N 3.21Å; N387-L389 PolarHBondContact OD1-N 3.07Å; N387-L389 VanDerWaalsContact OD1-N 3.08Å; L389-F466 HydrophobicContact CB-CZ 4.21Å; L389-F466 HydrophobicContact CD1-CE2 3.95Å; L389-F466 HydrophobicContact CD1-CZ 4.34Å
390	I	69.8	Low	84.4	Confident	35 Å²	35	57 Å²	57	18%	0.179	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-37.8	-173.2	-63.7	179.6	0	0	0	111.4	I385 N387 V423 N470	I385-I390 HydrophobicContact CD1-CG2 3.85Å; I385-I390 HydrophobicContact CG2-CB 4.05Å; I385-I390 HydrophobicContact CG2-CG2 3.94Å; N387-I390 HydrophobicContact CB-CB 4.29Å; N387-I390 HydrophobicContact CB-CD1 4.09Å; N387-I390 HydrophobicContact CB-CG1 4.23Å; N387-I390 WeakPolarHBondContact ND2-CD1 3.48Å; N387-I390 PolarHBondContact O-N 3.24Å; N387-I390 VanDerWaalsContact O-N 3.1Å; I390-V423 HydrophobicContact CG2-CB 3.82Å; I390-V423 HydrophobicContact CG2-CG1 3.6Å; I390-N470 HydrophobicContact CD1-CB 4.28Å
391	G	68.8	Low	84.4	Confident	34 Å²	34	56.5 Å²	56.5	35%	0.351	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.5	173.5	-172.9	0	0	0	0	0	110.7	I385 N387	I385-G391 VanDerWaalsContact O-O 3.09Å; N387-G391 PolarHBondContact O-N 3.43Å
392	K	79.5	Confident	84.5	Confident	171 Å²	171	56.4 Å²	56.4	74%	0.743	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	-26.9	179.3	-66.7	-176.1	179.7	179.5	0	113.5	A384 I385	A384-K392 WeakPolarHBondContact CA-O 3.36Å; I385-K392 PolarHBondContact N-O 2.96Å
393	F	86	Confident	84.4	Confident	129 Å²	129	55.7 Å²	55.7	57%	0.566	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	152.9	-176.9	-55.2	-78.8	0	0	0	109.1	T382 V383 A384	T382-F393 HydrophobicContact CG2-CB 4.22Å; V383-F393 CarbonylContact O-C 3.59Å; V383-F393 VanDerWaalsContact O-CA 3.31Å; V383-F393 WeakPolarHBondContact O-CA 3.32Å; A384-F393 HydrophobicContact CB-CD1 3.96Å; A384-F393 HydrophobicContact CB-CE1 3.98Å
394	S	88.9	Confident	84.3	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.2	163.9	-177.9	0	0	0	0	109.7	T382 V383 H421 D422	T382-S394 CarbonylContact C-O 3.51Å; T382-S394 WeakPolarHBondContact CA-O 3.31Å; V383-S394 WeakPolarHBondContact CG1-O 3.39Å; V383-S394 PolarHBondContact N-O 2.87Å; V383-S394 PolarHBondContact O-N 2.92Å; S394-H421 PolarHBondContact OG-N 2.9Å; S394-D422 PolarHBondContact OG-N 2.89Å; S394-D422 VanDerWaalsContact OG-N 3.11Å
395	T	92.4	Very high	84.2	Confident	56 Å²	56	63.4 Å²	63.4	34%	0.344	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	148.5	157.5	62	0	0	0	0	109.8	Y381 H421 D422	Y381-T395 CarbonylContact O-C 3.58Å; Y381-T395 WeakPolarHBondContact O-CA 3.49Å; T395-H421 PolarHBondContact O-N 2.97Å; T395-D422 WeakPolarHBondContact CB-OD2 3.37Å; T395-D422 PolarHBondContact N-OD2 2.9Å; T395-D422 PolarHBondContact OG1-OD2 3.37Å
396	A	94.3	Very high	84.2	Confident	2 Å²	2	62.8 Å²	62.8	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.7	177	0	0	0	0	0	110.2	S380 Y381 Y419 T420	S380-A396 WeakPolarHBondContact CA-O 3.45Å; Y381-A396 HydrophobicContact CD2-CB 4.01Å; Y381-A396 HydrophobicContact CE2-CB 3.7Å; Y381-A396 PolarHBondContact N-O 3.46Å; Y381-A396 PolarHBondContact O-N 3.21Å; A396-Y419 CarbonylContact C-O 3.56Å; A396-Y419 WeakPolarHBondContact CA-O 3.49Å; A396-Y419 WeakPolarHBondContact CB-O 3.24Å; A396-T420 HydrophobicContact CB-CG2 4.12Å
397	T	95.6	Very high	84.8	Confident	31 Å²	31	60.3 Å²	60.3	19%	0.19	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.8	174.6	-58.4	0	0	0	0	108.7	V378 L379 S380 Y419 H421	V378-T397 HydrophobicContact CG1-CG2 3.65Å; L379-T397 CarbonylContact O-C 3.58Å; L379-T397 WeakPolarHBondContact O-CA 3.44Å; S380-T397 PolarHBondContact OG-OG1 2.9Å; T397-Y419 PolarHBondContact N-O 3.49Å; T397-Y419 PolarHBondContact O-N 3.34Å; T397-H421 PolarHBondContact OG1-NE2 2.76Å
398	E	95.9	Very high	85.3	Confident	9 Å²	9	66.8 Å²	66.8	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.7	-177.1	176.7	174.8	171	0	0	110.3	L379 Y381 Q400 A416 V417 V418	L379-E398 HydrophobicContact CB-CB 4.34Å; L379-E398 PolarHBondContact N-O 2.93Å; L379-E398 PolarHBondContact O-N 3.39Å; Y381-E398 HydrophobicContact CE1-CB 3.94Å; Y381-E398 WeakPolarHBondContact CE1-OE2 3.33Å; Y381-E398 PolarHBondContact OH-OE2 3.37Å; E398-Q400 HydrophobicContact CG-CG 3.96Å; E398-Q400 PolarHBondContact OE1-NE2 2.88Å; E398-A416 HydrophobicContact CG-CB 4.3Å; E398-A416 WeakPolarHBondContact OE1-CB 3.45Å; E398-V417 WeakPolarHBondContact CA-O 3.41Å; E398-V418 HydrophobicContact CB-CG2 4.16Å; E398-V418 HydrophobicContact CG-CG2 3.83Å
399	N	95.5	Very high	85.9	Confident	57 Å²	57	61 Å²	61	31%	0.305	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.6	177.9	-63.4	-18.1	0	0	0	108.6	A416 V417	N399-A416 WeakPolarHBondContact O-CA 3.46Å; N399-V417 PolarHBondContact N-O 3.41Å; N399-V417 PolarHBondContact O-N 2.94Å
400	Q	96.2	Very high	87.2	Confident	9 Å²	9	59.8 Å²	59.8	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.7	179.2	-61.9	-171.9	-15.6	0	0	111.2	W367 K376 R377 L379 E398 V414 D415 A416	W367-Q400 HydrophobicContact CH2-CB 3.86Å; W367-Q400 HydrophobicContact CZ3-CB 4.25Å; K376-Q400 CarbonylContact C-O 3.59Å; K376-Q400 VanDerWaalsContact CA-O 3.31Å; K376-Q400 WeakPolarHBondContact CA-O 3.35Å; R377-Q400 HydrophobicContact CG-CB 4.02Å; R377-Q400 VanDerWaalsContact CZ-OE1 3.24Å; R377-Q400 PolarHBondContact N-O 3.08Å; R377-Q400 PolarHBondContact O-N 2.93Å; L379-Q400 HydrophobicContact CD1-CB 4.47Å; L379-Q400 HydrophobicContact CD1-CG 3.74Å; E398-Q400 HydrophobicContact CG-CG 3.96Å; E398-Q400 PolarHBondContact OE1-NE2 2.88Å; Q400-V414 HydrophobicContact CB-CG1 4.19Å; Q400-D415 CarbonylContact C-O 3.59Å; Q400-D415 WeakPolarHBondContact CA-O 3.23Å; Q400-A416 HydrophobicContact CG-CB 3.92Å
401	T	95.1	Very high	88.2	Confident	34 Å²	34	59.5 Å²	59.5	21%	0.209	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.1	176.5	-53.4	0	0	0	0	109.1	N374 D375 K376 V414 D415	N374-T401 HydrophobicContact CB-CG2 3.79Å; D375-T401 CarbonylContact O-C 3.48Å; D375-T401 WeakPolarHBondContact O-CA 3.36Å; K376-T401 HydrophobicContact CD-CG2 4.45Å; K376-T401 WeakPolarHBondContact CE-OG1 3.35Å; K376-T401 HydrophobicContact CG-CG2 3.86Å; T401-V414 WeakPolarHBondContact O-CA 3.23Å; T401-D415 PolarHBondContact N-O 3.31Å; T401-D415 PolarHBondContact O-N 3.28Å
402	L	94.3	Very high	89.4	Confident	24 Å²	24	58.6 Å²	58.6	13%	0.126	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.7	168.9	172.6	67.1	0	0	0	108.2	F340 W367 N374 D375 S406 Y412 V414	F340-L402 HydrophobicContact CE2-CD1 4.02Å; F340-L402 HydrophobicContact CE2-CD2 4.4Å; F340-L402 HydrophobicContact CZ-CD2 4.08Å; W367-L402 HydrophobicContact CE3-CB 4.35Å; W367-L402 HydrophobicContact CH2-CB 4.08Å; W367-L402 HydrophobicContact CZ3-CB 3.79Å; N374-L402 WeakPolarHBondContact CB-O 3.42Å; D375-L402 HydrophobicContact CB-CB 4.15Å; D375-L402 HydrophobicContact CB-CD2 4.23Å; D375-L402 PolarHBondContact N-O 3.5Å; D375-L402 VanDerWaalsContact N-O 3.14Å; D375-L402 PolarHBondContact O-N 2.93Å; L402-S406 VanDerWaalsContact CD1-OG 3.27Å; L402-S406 WeakPolarHBondContact CD1-OG 3.31Å; L402-Y412 HydrophobicContact CD1-CD1 4.24Å; L402-V414 HydrophobicContact CB-CG2 4.39Å; L402-V414 HydrophobicContact CD1-CG2 3.79Å
403	S	90.9	Very high	90.1	Very high	13 Å²	13	52 Å²	52	9%	0.091	25%	0.25	C	S	.	.			trans	-72	141.4	-177.2	111.1	0	0	0	0	111.2	N374 E405 S406 Q413	N374-S403 WeakPolarHBondContact OD1-CA 3.39Å; S403-E405 VanDerWaalsContact CB-OE2 3.27Å; S403-E405 WeakPolarHBondContact CB-OE2 3.25Å; S403-E405 PolarHBondContact O-N 3.27Å; S403-E405 VanDerWaalsContact O-N 3.15Å; S403-E405 PolarHBondContact OG-N 2.9Å; S403-E405 PolarHBondContact OG-OE2 3.49Å; S403-S406 WeakPolarHBondContact O-CB 2.95Å; S403-S406 PolarHBondContact O-N 3.45Å; S403-S406 PolarHBondContact O-OG 2.94Å; S403-Q413 PolarHBondContact N-O 3.25Å
404	K	86.9	Confident	90.5	Very high	124 Å²	124	45.9 Å²	45.9	54%	0.539	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.2	-179.4	67.4	-172.1	171	-170.1	0	114.9	S372 G373 N374 S406	S372-K404 PolarHBondContact O-NZ 3.27Å; G373-K404 WeakPolarHBondContact O-CB 3.3Å; N374-K404 PolarHBondContact OD1-N 2.83Å; K404-S406 PolarHBondContact O-N 3.46Å
405	E	82.7	Confident	90.8	Very high	106 Å²	106	47.3 Å²	47.3	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.5	173.5	-59.9	72.1	-155.2	0	0	112.3	S403	S403-E405 VanDerWaalsContact CB-OE2 3.27Å; S403-E405 WeakPolarHBondContact CB-OE2 3.25Å; S403-E405 PolarHBondContact O-N 3.27Å; S403-E405 VanDerWaalsContact O-N 3.15Å; S403-E405 PolarHBondContact OG-N 2.9Å; S403-E405 PolarHBondContact OG-OE2 3.49Å
406	S	84.1	Confident	91	Very high	25 Å²	25	44.7 Å²	44.7	18%	0.175	22%	0.215	C	C	.	.			trans	-64.4	131.6	174.7	-58.5	0	0	0	0	111.8	L402 S403 K404 Y411 Q413	L402-S406 VanDerWaalsContact CD1-OG 3.27Å; L402-S406 WeakPolarHBondContact CD1-OG 3.31Å; S403-S406 WeakPolarHBondContact O-CB 2.95Å; S403-S406 PolarHBondContact O-N 3.45Å; S403-S406 PolarHBondContact O-OG 2.94Å; K404-S406 PolarHBondContact O-N 3.46Å; S406-Y411 CarbonylContact C-O 3.6Å; S406-Y411 VanDerWaalsContact CA-O 3.3Å; S406-Y411 WeakPolarHBondContact CA-O 3.35Å; S406-Q413 PolarHBondContact OG-N 2.99Å
407	R	82.9	Confident	91.1	Very high	120 Å²	120	45.9 Å²	45.9	45%	0.453	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-118.3	123.2	177.9	-69.1	-174	-174.9	160.4	6.3	110.8	E308 G409 Q410 Y411	E308-R407 IonicContact OE2-CZ 3.75Å; E308-R407 IonicContact OE2-NH1 2.64Å; E308-R407 PolarHBondContact OE2-NH1 3.05Å; E308-R407 IonicContact OE2-NH2 2.62Å; E308-R407 PolarHBondContact OE2-NH2 3.28Å; R407-G409 PolarHBondContact O-N 3.3Å; R407-Q410 HydrophobicContact CB-CB 4.02Å; R407-Q410 PolarHBondContact O-N 2.99Å; R407-Y411 CarbonylContact C-O 3.51Å; R407-Y411 PolarHBondContact N-O 3.33Å; R407-Y411 PolarHBondContact O-N 3.3Å
408	E	83.3	Confident	91.1	Very high	169 Å²	169	45.1 Å²	45.1	79%	0.79	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.7	-174.3	-158.2	-170.4	152.3	0	0	112.3	Q410 Y412	E408-Q410 PolarHBondContact O-N 3.38Å; E408-Q410 VanDerWaalsContact O-N 3.09Å; E408-Y412 VanDerWaalsContact CG-OH 3.27Å; E408-Y412 WeakPolarHBondContact CG-OH 3.3Å
409	G	80.8	Confident	91	Very high	8 Å²	8	48.7 Å²	48.7	8%	0.082	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	3.4	-178.6	0	0	0	0	0	116.3	S337 R407 Y412 R439	S337-G409 WeakPolarHBondContact OG-CA 3.45Å; S337-G409 PolarHBondContact OG-N 3.03Å; R407-G409 PolarHBondContact O-N 3.3Å; G409-Y412 PolarHBondContact N-OH 3.2Å; G409-R439 WeakPolarHBondContact O-CD 3.12Å; G409-R439 PolarHBondContact O-NH1 2.79Å
410	Q	87.1	Confident	90.9	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-53.6	175.8	-63.8	-175.1	-5.2	0	0	112.1	R407 E408 R439	R407-Q410 HydrophobicContact CB-CB 4.02Å; R407-Q410 PolarHBondContact O-N 2.99Å; E408-Q410 PolarHBondContact O-N 3.38Å; E408-Q410 VanDerWaalsContact O-N 3.09Å; Q410-R439 WeakPolarHBondContact O-CB 3.38Å; Q410-R439 PolarHBondContact O-N 2.9Å
411	Y	91.3	Very high	90.6	Very high	30 Å²	30	50.7 Å²	50.7	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	130.2	-170.7	176.2	-106.2	0	0	0	110.2	V313 I317 S406 R407 Q413 Y436 I437 I438	V313-Y411 HydrophobicContact CG1-CD2 4.15Å; V313-Y411 HydrophobicContact CG1-CE2 4.42Å; I317-Y411 HydrophobicContact CD1-CE2 4.22Å; S406-Y411 CarbonylContact C-O 3.6Å; S406-Y411 VanDerWaalsContact CA-O 3.3Å; S406-Y411 WeakPolarHBondContact CA-O 3.35Å; R407-Y411 CarbonylContact C-O 3.51Å; R407-Y411 PolarHBondContact N-O 3.33Å; R407-Y411 PolarHBondContact O-N 3.3Å; Y411-Q413 HydrophobicContact CE1-CB 3.93Å; Y411-Q413 PolarHBondContact OH-OE1 3.04Å; Y411-Y436 AromaticContact CE2-CD1 3.99Å; Y411-Y436 HydrophobicContact CE2-CD1 3.99Å; Y411-Y436 AromaticContact CZ-CD1 3.97Å; Y411-Y436 VanDerWaalsContact OH-CD1 3.28Å; Y411-Y436 WeakPolarHBondContact OH-CD1 3.28Å; Y411-Y436 WeakPolarHBondContact OH-CE1 3.39Å; Y411-I437 CarbonylContact C-O 3.54Å; Y411-I437 WeakPolarHBondContact CA-O 3.29Å; Y411-I438 HydrophobicContact CD2-CG1 4.24Å; Y411-I438 HydrophobicContact CE2-CG1 4.38Å
412	Y	93.8	Very high	90.2	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.2	169.8	-55.8	-97.8	0	0	0	110.1	A336 S337 F340 L402 E408 G409 Y436 I437	A336-Y412 HydrophobicContact CB-CE2 4.2Å; S337-Y412 WeakPolarHBondContact CA-OH 3.39Å; S337-Y412 PolarHBondContact OG-OH 3.41Å; F340-Y412 HydrophobicContact CB-CD1 4.23Å; F340-Y412 HydrophobicContact CB-CD2 3.97Å; F340-Y412 HydrophobicContact CB-CE1 4.1Å; F340-Y412 HydrophobicContact CB-CE2 3.84Å; F340-Y412 HydrophobicContact CB-CG 4.16Å; F340-Y412 HydrophobicContact CD1-CD1 4.23Å; F340-Y412 AromaticContact CD1-CE1 3.83Å; F340-Y412 HydrophobicContact CD1-CE1 3.83Å; F340-Y412 AromaticContact CD2-CD1 3.41Å; F340-Y412 HydrophobicContact CD2-CD1 3.41Å; F340-Y412 VanDerWaalsContact CD2-CD1 3.41Å; F340-Y412 HydrophobicContact CD2-CD2 4.33Å; F340-Y412 AromaticContact CD2-CE1 3.88Å; F340-Y412 HydrophobicContact CD2-CE1 3.88Å; F340-Y412 AromaticContact CD2-CG 3.66Å; F340-Y412 HydrophobicContact CD2-CG 3.66Å; F340-Y412 HydrophobicContact CE1-CE1 4.24Å; F340-Y412 AromaticContact CE2-CD1 3.77Å; F340-Y412 HydrophobicContact CE2-CD1 3.77Å; F340-Y412 HydrophobicContact CE2-CE1 4.29Å; F340-Y412 HydrophobicContact CE2-CG 4.35Å; F340-Y412 AromaticContact CG-CD1 3.68Å; F340-Y412 HydrophobicContact CG-CD1 3.68Å; F340-Y412 HydrophobicContact CG-CD2 4.31Å; F340-Y412 AromaticContact CG-CE1 3.64Å; F340-Y412 HydrophobicContact CG-CE1 3.64Å; F340-Y412 HydrophobicContact CG-CE2 4.29Å; F340-Y412 HydrophobicContact CG-CG 4.01Å; F340-Y412 AromaticContact CG-CZ 3.94Å; F340-Y412 HydrophobicContact CZ-CD1 4.31Å; F340-Y412 HydrophobicContact CZ-CE1 4.46Å; L402-Y412 HydrophobicContact CD1-CD1 4.24Å; E408-Y412 VanDerWaalsContact CG-OH 3.27Å; E408-Y412 WeakPolarHBondContact CG-OH 3.3Å; G409-Y412 PolarHBondContact N-OH 3.2Å; Y412-Y436 WeakPolarHBondContact O-CA 3.36Å; Y412-I437 HydrophobicContact CD2-CB 4.17Å; Y412-I437 HydrophobicContact CD2-CG2 4.18Å; Y412-I437 PolarHBondContact N-O 3.11Å; Y412-I437 PolarHBondContact O-N 3.07Å
413	Q	94.5	Very high	89.9	Confident	33 Å²	33	53 Å²	53	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114.8	173.3	178.1	175.7	-26.3	0	0	109.3	S403 S406 Y411 Y435 Y436	S403-Q413 PolarHBondContact N-O 3.25Å; S406-Q413 PolarHBondContact OG-N 2.99Å; Y411-Q413 HydrophobicContact CE1-CB 3.93Å; Y411-Q413 PolarHBondContact OH-OE1 3.04Å; Q413-Y435 WeakPolarHBondContact CA-O 3.44Å; Q413-Y436 HydrophobicContact CB-CD1 4.27Å; Q413-Y436 HydrophobicContact CB-CE1 4.34Å; Q413-Y436 HydrophobicContact CG-CD1 4.14Å; Q413-Y436 HydrophobicContact CG-CE1 3.82Å
414	V	95.1	Very high	89.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.8	177.4	-173.8	0	0	0	0	110.1	F340 F344 W367 Q400 T401 L402 Y435	F340-V414 HydrophobicContact CE2-CG2 4.07Å; F344-V414 HydrophobicContact CD1-CG1 4.14Å; F344-V414 HydrophobicContact CD1-CG2 4.26Å; F344-V414 HydrophobicContact CD2-CG2 4.23Å; F344-V414 HydrophobicContact CE1-CB 3.88Å; F344-V414 HydrophobicContact CE1-CG1 3.63Å; F344-V414 HydrophobicContact CE1-CG2 4.02Å; F344-V414 HydrophobicContact CE2-CB 4.37Å; F344-V414 HydrophobicContact CE2-CG2 3.97Å; F344-V414 HydrophobicContact CG-CG2 4.37Å; F344-V414 HydrophobicContact CZ-CB 3.79Å; F344-V414 HydrophobicContact CZ-CG1 4.08Å; F344-V414 HydrophobicContact CZ-CG2 3.86Å; W367-V414 HydrophobicContact CH2-CG1 4.24Å; Q400-V414 HydrophobicContact CB-CG1 4.19Å; T401-V414 WeakPolarHBondContact O-CA 3.23Å; L402-V414 HydrophobicContact CB-CG2 4.39Å; L402-V414 HydrophobicContact CD1-CG2 3.79Å; V414-Y435 PolarHBondContact N-O 2.98Å; V414-Y435 PolarHBondContact O-N 3.44Å
415	D	95	Very high	89.6	Confident	30 Å²	30	53.8 Å²	53.8	16%	0.16	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.2	167.5	-94.7	-46.7	0	0	0	109.6	Q400 T401 Q432 R434	Q400-D415 CarbonylContact C-O 3.59Å; Q400-D415 WeakPolarHBondContact CA-O 3.23Å; T401-D415 PolarHBondContact N-O 3.31Å; T401-D415 PolarHBondContact O-N 3.28Å; D415-Q432 PolarHBondContact OD1-NE2 3.48Å; D415-R434 WeakPolarHBondContact OD1-CB 3.45Å; D415-R434 IonicContact OD1-CZ 3.36Å; D415-R434 IonicContact OD1-NE 3.54Å; D415-R434 PolarHBondContact OD1-NE 2.94Å; D415-R434 IonicContact OD1-NH2 3.87Å; D415-R434 PolarHBondContact OD1-NH2 2.93Å; D415-R434 IonicContact OD2-CZ 3.18Å; D415-R434 IonicContact OD2-NE 2.89Å; D415-R434 PolarHBondContact OD2-NE 2.83Å; D415-R434 IonicContact OD2-NH2 3.58Å; D415-R434 PolarHBondContact OD2-NH2 2.84Å
416	A	95.8	Very high	89.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.9	179	0	0	0	0	0	110.4	E398 N399 Q400 Q432 N433 Y435	E398-A416 HydrophobicContact CG-CB 4.3Å; E398-A416 WeakPolarHBondContact OE1-CB 3.45Å; N399-A416 WeakPolarHBondContact O-CA 3.46Å; Q400-A416 HydrophobicContact CG-CB 3.92Å; A416-Q432 WeakPolarHBondContact O-CA 3.47Å; A416-N433 HydrophobicContact CB-CB 4.42Å; A416-N433 PolarHBondContact N-O 3.34Å; A416-N433 PolarHBondContact O-N 2.63Å; A416-Y435 HydrophobicContact CB-CD2 4.48Å; A416-Y435 HydrophobicContact CB-CE2 3.98Å
417	V	96.4	Very high	90.1	Very high	28 Å²	28	54.4 Å²	54.4	17%	0.17	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.2	-178.6	-173.8	0	0	0	0	109.2	E398 N399 Y419 Y430 Q432	E398-V417 WeakPolarHBondContact CA-O 3.41Å; N399-V417 PolarHBondContact N-O 3.41Å; N399-V417 PolarHBondContact O-N 2.94Å; V417-Y419 HydrophobicContact CB-CE2 4.43Å; V417-Y419 HydrophobicContact CG1-CD2 4.48Å; V417-Y419 HydrophobicContact CG1-CE2 3.66Å; V417-Y430 HydrophobicContact CG1-CD2 3.52Å; V417-Y430 HydrophobicContact CG1-CE2 3.83Å; V417-Y430 HydrophobicContact CG1-CG 4.35Å; V417-Q432 HydrophobicContact CG2-CG 4.36Å
418	V	95.6	Very high	90.4	Very high	15 Å²	15	51 Å²	51	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121	-173.9	-171.6	0	0	0	0	110.6	E398 T420 T431	E398-V418 HydrophobicContact CB-CG2 4.16Å; E398-V418 HydrophobicContact CG-CG2 3.83Å; V418-T420 HydrophobicContact CG1-CG2 4.38Å; V418-T431 PolarHBondContact N-O 3.5Å; V418-T431 PolarHBondContact O-N 2.89Å
419	Y	94.7	Very high	90.9	Very high	84 Å²	84	43.6 Å²	43.6	33%	0.329	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.6	169.6	-57.2	-86.1	0	0	0	109	A396 T397 V417 Y430	A396-Y419 CarbonylContact C-O 3.56Å; A396-Y419 WeakPolarHBondContact CA-O 3.49Å; A396-Y419 WeakPolarHBondContact CB-O 3.24Å; T397-Y419 PolarHBondContact N-O 3.49Å; T397-Y419 PolarHBondContact O-N 3.34Å; V417-Y419 HydrophobicContact CB-CE2 4.43Å; V417-Y419 HydrophobicContact CG1-CD2 4.48Å; V417-Y419 HydrophobicContact CG1-CE2 3.66Å; Y419-Y430 HydrophobicContact CD1-CG 4.37Å; Y419-Y430 HydrophobicContact CE1-CD1 4.02Å; Y419-Y430 AromaticContact CE1-CG 3.85Å; Y419-Y430 HydrophobicContact CE1-CG 3.85Å
420	T	92.6	Very high	91.5	Very high	33 Å²	33	45.8 Å²	45.8	20%	0.202	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113	178.2	50.9	0	0	0	0	108.9	A396 V418 V423 H426	A396-T420 HydrophobicContact CB-CG2 4.12Å; V418-T420 HydrophobicContact CG1-CG2 4.38Å; T420-V423 WeakPolarHBondContact O-CG2 3.36Å; T420-V423 WeakPolarHBondContact OG1-CG2 3.33Å; T420-H426 WeakPolarHBondContact O-CB 3.33Å
421	H	88.9	Confident	91.9	Very high	74 Å²	74	42 Å²	42	34%	0.343	20%	0.204	S	C	.	.	S	Bend	trans	-88.1	-30.8	-160.3	-55.3	-64.8	0	0	0	115.6	S394 T395 T397 V423 H426	S394-H421 PolarHBondContact OG-N 2.9Å; T395-H421 PolarHBondContact O-N 2.97Å; T397-H421 PolarHBondContact OG1-NE2 2.76Å; H421-V423 VanDerWaalsContact C-N 3.34Å; H421-V423 PolarHBondContact O-N 3.11Å; H421-H426 WeakPolarHBondContact O-CB 3.44Å; H421-H426 PolarHBondContact O-CD2 3.25Å; H421-H426 PolarHBondContact O-ND1 2.86Å
422	D	87	Confident	92.1	Very high	95 Å²	95	42 Å²	42	51%	0.508	21%	0.205	S	C	.	.	S	Bend	trans	-93.4	9.8	-172.5	-53.2	-78	0	0	0	113.3	S394 T395	S394-D422 PolarHBondContact OG-N 2.89Å; S394-D422 VanDerWaalsContact OG-N 3.11Å; T395-D422 WeakPolarHBondContact CB-OD2 3.37Å; T395-D422 PolarHBondContact N-OD2 2.9Å; T395-D422 PolarHBondContact OG1-OD2 3.37Å
423	V	88.1	Confident	92.1	Very high	13 Å²	13	42 Å²	42	8%	0.079	21%	0.206	C	C	.	.	S	Bend	trans	-93.9	150.3	-178.4	-51.5	0	0	0	0	112.1	I385 I390 T420 H421 Y425 H426 F429	I385-V423 HydrophobicContact CD1-CG1 3.69Å; I390-V423 HydrophobicContact CG2-CB 3.82Å; I390-V423 HydrophobicContact CG2-CG1 3.6Å; T420-V423 WeakPolarHBondContact O-CG2 3.36Å; T420-V423 WeakPolarHBondContact OG1-CG2 3.33Å; H421-V423 VanDerWaalsContact C-N 3.34Å; H421-V423 PolarHBondContact O-N 3.11Å; V423-Y425 PolarHBondContact O-N 2.64Å; V423-H426 HydrophobicContact CG2-CB 3.98Å; V423-H426 WeakPolarHBondContact O-CB 3.46Å; V423-H426 PolarHBondContact O-CD2 2.9Å; V423-H426 PolarHBondContact O-N 3.34Å; V423-H426 VanDerWaalsContact O-N 3.09Å; V423-F429 HydrophobicContact CG2-CE1 4.23Å; V423-F429 HydrophobicContact CG2-CZ 3.91Å
424	P	85.2	Confident	92.1	Very high	56 Å²	56	42.7 Å²	42.7	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	130.3	172.3	-25.9	35.4	0	0	0	111.7	H426	P424-H426 VanDerWaalsContact C-N 3.33Å; P424-H426 PolarHBondContact O-N 2.78Å
425	Y	87.2	Confident	92.1	Very high	97 Å²	97	43.1 Å²	43.1	38%	0.38	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	23.5	-177	-43.8	-83.7	0	0	0	115.6	V423 D427 H428 F429 I463 I467	V423-Y425 PolarHBondContact O-N 2.64Å; Y425-D427 PolarHBondContact O-N 3.34Å; Y425-H428 WeakPolarHBondContact O-CB 3.29Å; Y425-H428 PolarHBondContact O-N 2.84Å; Y425-F429 WeakPolarHBondContact O-CD1 3.4Å; Y425-F429 WeakPolarHBondContact O-CE1 3.36Å; Y425-I463 HydrophobicContact CD1-CG2 3.94Å; Y425-I463 HydrophobicContact CD2-CG2 3.87Å; Y425-I463 HydrophobicContact CE1-CD1 3.82Å; Y425-I463 HydrophobicContact CE1-CG1 4.27Å; Y425-I463 HydrophobicContact CE1-CG2 3.92Å; Y425-I463 HydrophobicContact CE2-CG1 4.42Å; Y425-I463 HydrophobicContact CE2-CG2 3.87Å; Y425-I463 HydrophobicContact CG-CG2 3.92Å; Y425-I467 HydrophobicContact CD2-CD1 4.47Å; Y425-I467 HydrophobicContact CG-CD1 4.38Å
426	H	88.1	Confident	92.1	Very high	84 Å²	84	42 Å²	42	39%	0.389	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-30.1	176.2	64.9	103.9	0	0	0	115.5	T420 H421 V423 P424	T420-H426 WeakPolarHBondContact O-CB 3.33Å; H421-H426 WeakPolarHBondContact O-CB 3.44Å; H421-H426 PolarHBondContact O-CD2 3.25Å; H421-H426 PolarHBondContact O-ND1 2.86Å; V423-H426 HydrophobicContact CG2-CB 3.98Å; V423-H426 WeakPolarHBondContact O-CB 3.46Å; V423-H426 PolarHBondContact O-CD2 2.9Å; V423-H426 PolarHBondContact O-N 3.34Å; V423-H426 VanDerWaalsContact O-N 3.09Å; P424-H426 VanDerWaalsContact C-N 3.33Å; P424-H426 PolarHBondContact O-N 2.78Å
427	D	89.4	Confident	92.1	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.7	-178.7	68.9	-46.9	0	0	0	113.8	Y425 S456 K457	Y425-D427 PolarHBondContact O-N 3.34Å; D427-S456 PolarHBondContact O-OG 3.44Å; D427-K457 WeakPolarHBondContact O-CD 3.39Å; D427-K457 VanDerWaalsContact O-CE 3.23Å; D427-K457 WeakPolarHBondContact O-CE 3.36Å; D427-K457 WeakPolarHBondContact OD2-CE 3.37Å; D427-K457 IonicContact OD2-NZ 2.92Å; D427-K457 PolarHBondContact OD2-NZ 3.09Å
428	H	89	Confident	92	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.218	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-18.6	-177.8	-69.3	66.9	0	0	0	114.3	Y425 Y455 S456 K457 T459	Y425-H428 WeakPolarHBondContact O-CB 3.29Å; Y425-H428 PolarHBondContact O-N 2.84Å; H428-Y455 CarbonylContact O-C 3.59Å; H428-Y455 VanDerWaalsContact O-CA 3.31Å; H428-Y455 WeakPolarHBondContact O-CA 3.43Å; H428-S456 WeakPolarHBondContact CA-OG 3.23Å; H428-S456 PolarHBondContact O-N 3.35Å; H428-S456 PolarHBondContact O-OG 2.61Å; H428-S456 VanDerWaalsContact O-OG 3.13Å; H428-K457 HydrophobicContact CB-CB 4.21Å; H428-K457 PolarHBondContact O-N 3.03Å; H428-T459 HydrophobicContact CB-CG2 3.74Å
429	F	93.5	Very high	91.9	Very high	14 Å²	14	45.2 Å²	45.2	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.3	-177.3	76.4	-83.1	0	0	0	112.9	V423 Y425 V453 K454 Y455 I467	V423-F429 HydrophobicContact CG2-CE1 4.23Å; V423-F429 HydrophobicContact CG2-CZ 3.91Å; Y425-F429 WeakPolarHBondContact O-CD1 3.4Å; Y425-F429 WeakPolarHBondContact O-CE1 3.36Å; F429-V453 HydrophobicContact CD2-CG1 4.25Å; F429-K454 CarbonylContact C-O 3.53Å; F429-K454 WeakPolarHBondContact CA-O 3.38Å; F429-K454 WeakPolarHBondContact CB-O 3.43Å; F429-Y455 HydrophobicContact CB-CD1 3.97Å; F429-Y455 HydrophobicContact CB-CE1 4.02Å; F429-I467 HydrophobicContact CB-CG2 4.09Å; F429-I467 HydrophobicContact CD1-CB 4.48Å; F429-I467 HydrophobicContact CD1-CD1 3.73Å; F429-I467 HydrophobicContact CD1-CG1 4.02Å; F429-I467 HydrophobicContact CD1-CG2 3.6Å; F429-I467 HydrophobicContact CD2-CG2 3.64Å; F429-I467 HydrophobicContact CE1-CD1 4.17Å; F429-I467 HydrophobicContact CE1-CG1 4.02Å; F429-I467 HydrophobicContact CE1-CG2 3.87Å; F429-I467 HydrophobicContact CE2-CG2 3.91Å; F429-I467 HydrophobicContact CG-CD1 4.46Å; F429-I467 HydrophobicContact CG-CG2 3.48Å; F429-I467 VanDerWaalsContact CG-CG2 3.48Å; F429-I467 HydrophobicContact CZ-CG2 4.01Å
430	Y	94.3	Very high	91.8	Very high	54 Å²	54	44.9 Å²	44.9	21%	0.212	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	158.6	171.2	61.6	-90.7	0	0	0	109.8	V417 Y419 K454	V417-Y430 HydrophobicContact CG1-CD2 3.52Å; V417-Y430 HydrophobicContact CG1-CE2 3.83Å; V417-Y430 HydrophobicContact CG1-CG 4.35Å; Y419-Y430 HydrophobicContact CD1-CG 4.37Å; Y419-Y430 HydrophobicContact CE1-CD1 4.02Å; Y419-Y430 AromaticContact CE1-CG 3.85Å; Y419-Y430 HydrophobicContact CE1-CG 3.85Å; Y430-K454 HydrophobicContact CD1-CB 4.38Å; Y430-K454 HydrophobicContact CD2-CB 4.11Å; Y430-K454 HydrophobicContact CE1-CB 3.88Å; Y430-K454 HydrophobicContact CE2-CB 3.6Å; Y430-K454 HydrophobicContact CE2-CD 3.94Å; Y430-K454 HydrophobicContact CE2-CG 4.25Å; Y430-K454 HydrophobicContact CG-CB 4.49Å; Y430-K454 VanDerWaalsContact CZ-CB 3.47Å; Y430-K454 PolarHBondContact N-O 3.25Å; Y430-K454 PolarHBondContact O-N 3.48Å
431	T	94.4	Very high	91.7	Very high	20 Å²	20	45.6 Å²	45.6	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.1	176.5	-58.9	0	0	0	0	109.2	V418 D452 I475	V418-T431 PolarHBondContact N-O 3.5Å; V418-T431 PolarHBondContact O-N 2.89Å; T431-D452 WeakPolarHBondContact CA-O 3.47Å; T431-I475 HydrophobicContact CG2-CD1 3.63Å; T431-I475 HydrophobicContact CG2-CG1 4.16Å
432	Q	94.9	Very high	91.7	Very high	31 Å²	31	50.4 Å²	50.4	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.3	165.6	-178.1	172.8	-7.8	0	0	109	D415 A416 V417 S451 D452 K454	D415-Q432 PolarHBondContact OD1-NE2 3.48Å; A416-Q432 WeakPolarHBondContact O-CA 3.47Å; V417-Q432 HydrophobicContact CG2-CG 4.36Å; Q432-S451 CarbonylContact O-C 3.57Å; Q432-S451 VanDerWaalsContact O-CA 3.3Å; Q432-S451 WeakPolarHBondContact O-CA 3.38Å; Q432-D452 PolarHBondContact N-O 2.85Å; Q432-D452 PolarHBondContact O-N 2.97Å; Q432-K454 HydrophobicContact CB-CD 4.44Å
433	N	95.3	Very high	91.8	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.064	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.7	172.9	-61.3	-51.6	0	0	0	108.7	A416 Y435 Y450 S451 F479	A416-N433 HydrophobicContact CB-CB 4.42Å; A416-N433 PolarHBondContact N-O 3.34Å; A416-N433 PolarHBondContact O-N 2.63Å; N433-Y435 HydrophobicContact CB-CD2 4.45Å; N433-Y435 HydrophobicContact CB-CE2 3.73Å; N433-Y450 CarbonylContact C-O 3.57Å; N433-Y450 WeakPolarHBondContact CA-O 3.16Å; N433-S451 WeakPolarHBondContact OD1-CB 3.39Å; N433-S451 PolarHBondContact OD1-OG 2.91Å; N433-F479 HydrophobicContact CB-CZ 4.38Å
434	R	94.6	Very high	92	Very high	49 Å²	49	56 Å²	56	19%	0.185	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.9	178.4	-178.3	172.9	-74.5	-173.6	-14.4	110	E322 D415 Y436 V449 Y450	E322-R434 VanDerWaalsContact CD-NH1 3.25Å; E322-R434 IonicContact OE1-NH1 2.67Å; E322-R434 PolarHBondContact OE1-NH1 2.89Å; E322-R434 WeakPolarHBondContact OE2-CD 3.31Å; E322-R434 IonicContact OE2-CZ 2.65Å; E322-R434 IonicContact OE2-NE 2.74Å; E322-R434 IonicContact OE2-NH1 2.71Å; E322-R434 PolarHBondContact OE2-NH1 2.86Å; D415-R434 WeakPolarHBondContact OD1-CB 3.45Å; D415-R434 IonicContact OD1-CZ 3.36Å; D415-R434 IonicContact OD1-NE 3.54Å; D415-R434 PolarHBondContact OD1-NE 2.94Å; D415-R434 IonicContact OD1-NH2 3.87Å; D415-R434 PolarHBondContact OD1-NH2 2.93Å; D415-R434 IonicContact OD2-CZ 3.18Å; D415-R434 IonicContact OD2-NE 2.89Å; D415-R434 PolarHBondContact OD2-NE 2.83Å; D415-R434 IonicContact OD2-NH2 3.58Å; D415-R434 PolarHBondContact OD2-NH2 2.84Å; R434-Y436 WeakPolarHBondContact CD-OH 3.26Å; R434-Y436 HydrophobicContact CG-CD2 4.32Å; R434-Y436 HydrophobicContact CG-CE2 3.77Å; R434-V449 WeakPolarHBondContact O-CA 3.28Å; R434-Y450 PolarHBondContact N-O 3.26Å; R434-Y450 PolarHBondContact O-N 2.81Å
435	Y	95.1	Very high	92.5	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.3	-176.8	-60.9	-101.5	0	0	0	110.4	F344 Q413 V414 A416 N433 V449 F479	F344-Y435 HydrophobicContact CE1-CD2 4.44Å; F344-Y435 HydrophobicContact CZ-CD1 4.1Å; F344-Y435 AromaticContact CZ-CD2 3.96Å; F344-Y435 HydrophobicContact CZ-CD2 3.96Å; F344-Y435 AromaticContact CZ-CG 3.73Å; F344-Y435 HydrophobicContact CZ-CG 3.73Å; Q413-Y435 WeakPolarHBondContact CA-O 3.44Å; V414-Y435 PolarHBondContact N-O 2.98Å; V414-Y435 PolarHBondContact O-N 3.44Å; A416-Y435 HydrophobicContact CB-CD2 4.48Å; A416-Y435 HydrophobicContact CB-CE2 3.98Å; N433-Y435 HydrophobicContact CB-CD2 4.45Å; N433-Y435 HydrophobicContact CB-CE2 3.73Å; Y435-V449 HydrophobicContact CD1-CB 4.36Å; Y435-V449 HydrophobicContact CD1-CG1 3.87Å; Y435-V449 HydrophobicContact CD1-CG2 3.53Å; Y435-V449 HydrophobicContact CE1-CG1 3.9Å; Y435-V449 HydrophobicContact CE1-CG2 3.97Å; Y435-V449 HydrophobicContact CG-CG1 4.22Å; Y435-V449 HydrophobicContact CG-CG2 4.32Å; Y435-F479 AromaticContact CE1-CE1 3.81Å; Y435-F479 HydrophobicContact CE1-CE1 3.81Å; Y435-F479 HydrophobicContact CE1-CZ 4.35Å; Y435-F479 AromaticContact CZ-CE1 3.98Å
436	Y	94.4	Very high	92.8	Very high	8 Å²	8	51.3 Å²	51.3	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	172.4	-65.5	-79.6	0	0	0	109.9	E322 Y411 Y412 Q413 R434 L447 R448 Y450	E322-Y436 VanDerWaalsContact CD-OH 3.22Å; E322-Y436 PolarHBondContact OE1-OH 2.87Å; E322-Y436 PolarHBondContact OE2-OH 3.39Å; E322-Y436 VanDerWaalsContact OE2-OH 3.06Å; Y411-Y436 AromaticContact CE2-CD1 3.99Å; Y411-Y436 HydrophobicContact CE2-CD1 3.99Å; Y411-Y436 AromaticContact CZ-CD1 3.97Å; Y411-Y436 VanDerWaalsContact OH-CD1 3.28Å; Y411-Y436 WeakPolarHBondContact OH-CD1 3.28Å; Y411-Y436 WeakPolarHBondContact OH-CE1 3.39Å; Y412-Y436 WeakPolarHBondContact O-CA 3.36Å; Q413-Y436 HydrophobicContact CB-CD1 4.27Å; Q413-Y436 HydrophobicContact CB-CE1 4.34Å; Q413-Y436 HydrophobicContact CG-CD1 4.14Å; Q413-Y436 HydrophobicContact CG-CE1 3.82Å; R434-Y436 WeakPolarHBondContact CD-OH 3.26Å; R434-Y436 HydrophobicContact CG-CD2 4.32Å; R434-Y436 HydrophobicContact CG-CE2 3.77Å; Y436-L447 WeakPolarHBondContact O-CA 3.46Å; Y436-R448 HydrophobicContact CD2-CB 4.44Å; Y436-R448 PolarHBondContact N-O 3.45Å; Y436-R448 PolarHBondContact O-N 3.42Å; Y436-Y450 AromaticContact CD2-CD2 3.84Å; Y436-Y450 HydrophobicContact CD2-CD2 3.84Å; Y436-Y450 AromaticContact CD2-CE2 3.77Å; Y436-Y450 HydrophobicContact CD2-CE2 3.77Å; Y436-Y450 AromaticContact CE2-CD2 3.73Å; Y436-Y450 HydrophobicContact CE2-CD2 3.73Å; Y436-Y450 AromaticContact CE2-CE2 3.74Å; Y436-Y450 HydrophobicContact CE2-CE2 3.74Å
437	I	95.6	Very high	93.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108	171.7	-61.3	170.2	0	0	0	107.9	A336 L339 F340 L343 F344 Y411 Y412 C445 L447	A336-I437 HydrophobicContact CB-CG2 3.83Å; L339-I437 HydrophobicContact CB-CD1 4.38Å; L339-I437 HydrophobicContact CB-CG2 4.38Å; L339-I437 HydrophobicContact CD2-CD1 4.27Å; L339-I437 HydrophobicContact CD2-CG1 4.02Å; L339-I437 HydrophobicContact CD2-CG2 4.11Å; L339-I437 HydrophobicContact CG-CD1 3.98Å; L339-I437 HydrophobicContact CG-CG1 4.29Å; F340-I437 HydrophobicContact CB-CD1 3.96Å; F340-I437 HydrophobicContact CD2-CD1 4.42Å; L343-I437 HydrophobicContact CD1-CD1 4.49Å; F344-I437 HydrophobicContact CD2-CD1 4.36Å; F344-I437 HydrophobicContact CE2-CD1 4.05Å; Y411-I437 CarbonylContact C-O 3.54Å; Y411-I437 WeakPolarHBondContact CA-O 3.29Å; Y412-I437 HydrophobicContact CD2-CB 4.17Å; Y412-I437 HydrophobicContact CD2-CG2 4.18Å; Y412-I437 PolarHBondContact N-O 3.11Å; Y412-I437 PolarHBondContact O-N 3.07Å; I437-C445 HydrophobicContact CG2-CB 4.26Å; I437-L447 HydrophobicContact CG1-CD1 3.95Å
438	I	93.8	Very high	93.5	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.9	-175.7	-50.5	170.3	0	0	0	109	I317 Y411 V440 C445 R446	I317-I438 HydrophobicContact CD1-CD1 3.67Å; I317-I438 HydrophobicContact CD1-CG1 4.46Å; Y411-I438 HydrophobicContact CD2-CG1 4.24Å; Y411-I438 HydrophobicContact CE2-CG1 4.38Å; I438-V440 PolarHBondContact O-N 3.13Å; I438-C445 CarbonylContact O-C 3.55Å; I438-C445 VanDerWaalsContact O-CA 3.23Å; I438-C445 WeakPolarHBondContact O-CA 3.42Å; I438-C445 WeakPolarHBondContact O-CB 3.37Å; I438-R446 HydrophobicContact CB-CB 4.49Å; I438-R446 PolarHBondContact N-O 3.37Å; I438-R446 PolarHBondContact O-N 3.13Å
439	R	93.5	Very high	93.8	Very high	99 Å²	99	43.2 Å²	43.2	37%	0.374	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.7	175.1	179.8	-157.7	-174.8	100	-12.7	110.7	A336 G409 Q410	A336-R439 HydrophobicContact CB-CB 4.14Å; G409-R439 WeakPolarHBondContact O-CD 3.12Å; G409-R439 PolarHBondContact O-NH1 2.79Å; Q410-R439 WeakPolarHBondContact O-CB 3.38Å; Q410-R439 PolarHBondContact O-N 2.9Å
440	V	92.3	Very high	93.8	Very high	77 Å²	77	44.4 Å²	44.4	47%	0.467	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-31.5	171.9	-178.3	0	0	0	0	110.9	I438 K444 R446	I438-V440 PolarHBondContact O-N 3.13Å; V440-K444 HydrophobicContact CB-CB 4.17Å; V440-K444 PolarHBondContact N-O 3.01Å; V440-R446 HydrophobicContact CG2-CB 4Å
441	S	91.3	Very high	93.8	Very high	48 Å²	48	41.9 Å²	41.9	34%	0.336	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-178.1	171.4	79.8	0	0	0	0	111.3	R443 K444	S441-R443 PolarHBondContact O-N 2.95Å; S441-R443 VanDerWaalsContact O-N 3.14Å; S441-R443 PolarHBondContact OG-N 2.78Å; S441-K444 PolarHBondContact N-O 3.08Å; S441-K444 PolarHBondContact O-N 3.29Å; S441-K444 VanDerWaalsContact O-O 3.13Å; S441-K444 WeakPolarHBondContact OG-CB 3.12Å; S441-K444 WeakPolarHBondContact OG-CG 3.43Å; S441-K444 PolarHBondContact OG-N 2.7Å
442	K	88.3	Confident	93.7	Very high	175 Å²	175	43 Å²	43	76%	0.761	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.9	173.4	-69.4	-175.6	177.7	-178.6	0	113.8
443	R	89.3	Confident	93.6	Very high	144 Å²	144	42 Å²	42	54%	0.543	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	30.9	177.2	-58.6	-161.2	-62.3	156	-1.4	113	H333 M334 S441	H333-R443 CarbonylContact C-O 3.55Å; H333-R443 WeakPolarHBondContact CA-O 3.24Å; M334-R443 PolarHBondContact N-O 2.78Å; M334-R443 CarbonylContact O-C 3.58Å; S441-R443 PolarHBondContact O-N 2.95Å; S441-R443 VanDerWaalsContact O-N 3.14Å; S441-R443 PolarHBondContact OG-N 2.78Å
444	K	93.1	Very high	93.4	Very high	82 Å²	82	43.9 Å²	43.9	36%	0.357	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.8	168.9	-57.4	-168.1	-167.1	-147	0	110.7	V331 F332 H333 M334 V440 S441	V331-K444 HydrophobicContact CG1-CB 4.19Å; V331-K444 HydrophobicContact CG1-CD 4.48Å; F332-K444 VanDerWaalsContact O-CA 3.3Å; F332-K444 WeakPolarHBondContact O-CA 3.3Å; H333-K444 VanDerWaalsContact CD2-CE 3.4Å; H333-K444 WeakPolarHBondContact CD2-CE 3.45Å; H333-K444 PolarHBondContact CD2-NZ 2.71Å; H333-K444 WeakPolarHBondContact NE2-CE 3.37Å; H333-K444 PolarHBondContact NE2-NZ 2.83Å; M334-K444 CarbonylContact O-C 3.59Å; M334-K444 WeakPolarHBondContact O-CA 3.49Å; M334-K444 PolarHBondContact O-N 2.73Å; V440-K444 HydrophobicContact CB-CB 4.17Å; V440-K444 PolarHBondContact N-O 3.01Å; S441-K444 PolarHBondContact N-O 3.08Å; S441-K444 PolarHBondContact O-N 3.29Å; S441-K444 VanDerWaalsContact O-O 3.13Å; S441-K444 WeakPolarHBondContact OG-CB 3.12Å; S441-K444 WeakPolarHBondContact OG-CG 3.43Å; S441-K444 PolarHBondContact OG-N 2.7Å
445	C	94.8	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.5	171.6	54.8	0	0	0	0	110.8	V331 F332 M334 A336 I437 I438	V331-C445 CarbonylContact C-O 3.53Å; V331-C445 WeakPolarHBondContact CA-O 3.41Å; F332-C445 PolarHBondContact N-O 2.99Å; F332-C445 PolarHBondContact O-N 3.09Å; M334-C445 PolarHBondContact O-N 3.36Å; A336-C445 HydrophobicContact CB-CB 4.18Å; I437-C445 HydrophobicContact CG2-CB 4.26Å; I438-C445 CarbonylContact O-C 3.55Å; I438-C445 VanDerWaalsContact O-CA 3.23Å; I438-C445 WeakPolarHBondContact O-CA 3.42Å; I438-C445 WeakPolarHBondContact O-CB 3.37Å
446	R	94.8	Very high	92.8	Very high	54 Å²	54	47.1 Å²	47.1	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.6	170.4	-170.7	-176.1	-75.7	134.2	-10.9	108.8	E314 N329 K330 V331 I438 V440 R448	E314-R446 IonicContact OE1-CZ 3.47Å; E314-R446 IonicContact OE1-NH1 2.66Å; E314-R446 PolarHBondContact OE1-NH1 3.1Å; E314-R446 IonicContact OE2-CZ 2.89Å; E314-R446 IonicContact OE2-NH1 3.13Å; E314-R446 PolarHBondContact OE2-NH1 2.64Å; N329-R446 WeakPolarHBondContact OD1-CD 3.2Å; K330-R446 CarbonylContact O-C 3.58Å; K330-R446 WeakPolarHBondContact O-CA 3.43Å; V331-R446 HydrophobicContact CG2-CB 4.05Å; V331-R446 HydrophobicContact CG2-CG 4.05Å; I438-R446 HydrophobicContact CB-CB 4.49Å; I438-R446 PolarHBondContact N-O 3.37Å; I438-R446 PolarHBondContact O-N 3.13Å; V440-R446 HydrophobicContact CG2-CB 4Å; R446-R448 HydrophobicContact CG-CG 4.43Å
447	L	95.7	Very high	92.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120	167.2	-178.1	53.8	0	0	0	108.2	L328 N329 K330 F332 L339 L343 Y436 I437 V449 L486	L328-L447 HydrophobicContact CD2-CD2 3.57Å; L328-L447 HydrophobicContact CD2-CG 4.06Å; L328-L447 HydrophobicContact CG-CD2 4.43Å; L328-L447 HydrophobicContact CG-CG 4.46Å; N329-L447 CarbonylContact C-O 3.2Å; N329-L447 VanDerWaalsContact CA-O 3.28Å; N329-L447 WeakPolarHBondContact CA-O 3.31Å; K330-L447 PolarHBondContact N-O 2.85Å; K330-L447 PolarHBondContact O-N 3.16Å; F332-L447 HydrophobicContact CD2-CB 4.14Å; F332-L447 HydrophobicContact CE2-CB 3.88Å; F332-L447 HydrophobicContact CE2-CD2 4.08Å; L339-L447 HydrophobicContact CD2-CB 3.92Å; L339-L447 HydrophobicContact CD2-CD1 4.4Å; L339-L447 HydrophobicContact CD2-CD2 4.24Å; L339-L447 HydrophobicContact CD2-CG 4.41Å; L343-L447 HydrophobicContact CD1-CD1 4.41Å; L343-L447 HydrophobicContact CD1-CD2 4.1Å; Y436-L447 WeakPolarHBondContact O-CA 3.46Å; I437-L447 HydrophobicContact CG1-CD1 3.95Å; L447-V449 HydrophobicContact CD1-CG2 3.83Å; L447-V449 HydrophobicContact CD2-CG2 4.38Å; L447-V449 HydrophobicContact CG-CG2 3.92Å; L447-L486 HydrophobicContact CD2-CD1 3.88Å
448	R	95.1	Very high	91.8	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.4	162.1	-64.1	-178.4	-177.2	158.7	10.6	108.5	E314 D318 L326 L328 N329 Y436 R446 Y450	E314-R448 IonicContact OE1-CZ 3.52Å; E314-R448 IonicContact OE1-NH2 2.82Å; E314-R448 PolarHBondContact OE1-NH2 2.74Å; D318-R448 IonicContact OD1-NH1 3.23Å; L326-R448 HydrophobicContact CD1-CB 4.21Å; L328-R448 CarbonylContact O-C 3.48Å; L328-R448 VanDerWaalsContact O-CA 3.25Å; L328-R448 WeakPolarHBondContact O-CA 3.37Å; N329-R448 HydrophobicContact CB-CG 4.43Å; N329-R448 WeakPolarHBondContact OD1-CG 3.49Å; Y436-R448 HydrophobicContact CD2-CB 4.44Å; Y436-R448 PolarHBondContact N-O 3.45Å; Y436-R448 PolarHBondContact O-N 3.42Å; R446-R448 HydrophobicContact CG-CG 4.43Å; R448-Y450 HydrophobicContact CB-CE2 3.99Å
449	V	95.3	Very high	91.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.1	172.9	-167.8	0	0	0	0	110	Y327 L328 R434 Y435 L447 F479	Y327-V449 PolarHBondContact N-O 3.23Å; L328-V449 HydrophobicContact CB-CB 4.13Å; L328-V449 HydrophobicContact CB-CG2 4.1Å; L328-V449 HydrophobicContact CD2-CG2 4.27Å; L328-V449 PolarHBondContact N-O 2.85Å; L328-V449 PolarHBondContact O-N 3.4Å; R434-V449 WeakPolarHBondContact O-CA 3.28Å; Y435-V449 HydrophobicContact CD1-CB 4.36Å; Y435-V449 HydrophobicContact CD1-CG1 3.87Å; Y435-V449 HydrophobicContact CD1-CG2 3.53Å; Y435-V449 HydrophobicContact CE1-CG1 3.9Å; Y435-V449 HydrophobicContact CE1-CG2 3.97Å; Y435-V449 HydrophobicContact CG-CG1 4.22Å; Y435-V449 HydrophobicContact CG-CG2 4.32Å; L447-V449 HydrophobicContact CD1-CG2 3.83Å; L447-V449 HydrophobicContact CD2-CG2 4.38Å; L447-V449 HydrophobicContact CG-CG2 3.92Å; V449-F479 HydrophobicContact CB-CE1 4.37Å; V449-F479 HydrophobicContact CG1-CD1 4.39Å; V449-F479 HydrophobicContact CG1-CE1 3.7Å; V449-F479 HydrophobicContact CG1-CE2 4.27Å; V449-F479 HydrophobicContact CG1-CZ 3.64Å; V449-F479 HydrophobicContact CG2-CE1 4.47Å
450	Y	94.1	Very high	90.2	Very high	38 Å²	38	60.7 Å²	60.7	15%	0.149	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142	174.2	-61.5	-105.7	0	0	0	108.8	E322 R325 L326 N433 R434 Y436 R448	E322-Y450 HydrophobicContact CB-CD1 4.45Å; E322-Y450 HydrophobicContact CB-CE1 4.39Å; R325-Y450 CarbonylContact O-C 3.52Å; R325-Y450 WeakPolarHBondContact O-CA 3.43Å; L326-Y450 HydrophobicContact CB-CD1 4.12Å; L326-Y450 HydrophobicContact CB-CE1 4.06Å; L326-Y450 HydrophobicContact CD1-CD1 4.24Å; L326-Y450 HydrophobicContact CD1-CD2 4.11Å; L326-Y450 HydrophobicContact CD1-CE1 4Å; L326-Y450 HydrophobicContact CD1-CE2 3.84Å; L326-Y450 HydrophobicContact CD1-CG 4.29Å; N433-Y450 CarbonylContact C-O 3.57Å; N433-Y450 WeakPolarHBondContact CA-O 3.16Å; R434-Y450 PolarHBondContact N-O 3.26Å; R434-Y450 PolarHBondContact O-N 2.81Å; Y436-Y450 AromaticContact CD2-CD2 3.84Å; Y436-Y450 HydrophobicContact CD2-CD2 3.84Å; Y436-Y450 AromaticContact CD2-CE2 3.77Å; Y436-Y450 HydrophobicContact CD2-CE2 3.77Å; Y436-Y450 AromaticContact CE2-CD2 3.73Å; Y436-Y450 HydrophobicContact CE2-CD2 3.73Å; Y436-Y450 AromaticContact CE2-CE2 3.74Å; Y436-Y450 HydrophobicContact CE2-CE2 3.74Å; R448-Y450 HydrophobicContact CB-CE2 3.99Å
451	S	93.9	Very high	89.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143	175.2	-58.1	0	0	0	0	111.3	G324 R325 Q432 N433 W472 F479	G324-S451 CarbonylContact C-O 3.57Å; G324-S451 WeakPolarHBondContact CA-O 3.37Å; R325-S451 PolarHBondContact N-O 2.84Å; R325-S451 PolarHBondContact O-N 3.39Å; Q432-S451 CarbonylContact O-C 3.57Å; Q432-S451 VanDerWaalsContact O-CA 3.3Å; Q432-S451 WeakPolarHBondContact O-CA 3.38Å; N433-S451 WeakPolarHBondContact OD1-CB 3.39Å; N433-S451 PolarHBondContact OD1-OG 2.91Å; S451-W472 VanDerWaalsContact O-CH2 3.3Å; S451-W472 WeakPolarHBondContact O-CH2 3.28Å; S451-F479 WeakPolarHBondContact OG-CE2 3.37Å
452	D	92.3	Very high	88.9	Confident	45 Å²	45	64.7 Å²	64.7	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.9	172.8	-171.3	27.1	0	0	0	111.2	T431 Q432 K454	T431-D452 WeakPolarHBondContact CA-O 3.47Å; Q432-D452 PolarHBondContact N-O 2.85Å; Q432-D452 PolarHBondContact O-N 2.97Å; D452-K454 HydrophobicContact CB-CG 4.41Å; D452-K454 WeakPolarHBondContact OD2-CE 3.19Å; D452-K454 WeakPolarHBondContact OD2-CG 3.36Å
453	V	92.9	Very high	88.7	Confident	8 Å²	8	58.3 Å²	58.3	5%	0.048	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	92.8	177.4	-178.3	0	0	0	0	107.7	F429 Y455 I467 W472 I475	F429-V453 HydrophobicContact CD2-CG1 4.25Å; V453-Y455 HydrophobicContact CG1-CE2 4.2Å; V453-Y455 WeakPolarHBondContact O-CD2 3.47Å; V453-Y455 VanDerWaalsContact O-CE2 3.25Å; V453-Y455 WeakPolarHBondContact O-CE2 3.44Å; V453-I467 HydrophobicContact CG1-CG2 4.22Å; V453-W472 HydrophobicContact CG2-CD2 4.1Å; V453-W472 HydrophobicContact CG2-CE3 3.84Å; V453-W472 HydrophobicContact CG2-CH2 4.08Å; V453-W472 HydrophobicContact CG2-CZ2 4.26Å; V453-W472 HydrophobicContact CG2-CZ3 3.84Å; V453-I475 HydrophobicContact CG2-CD1 3.9Å
454	K	91.3	Very high	88.5	Confident	52 Å²	52	56.1 Å²	56.1	23%	0.226	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143	-173.2	-69.9	-174.4	176.6	178.9	0	110.9	F429 Y430 Q432 D452	F429-K454 CarbonylContact C-O 3.53Å; F429-K454 WeakPolarHBondContact CA-O 3.38Å; F429-K454 WeakPolarHBondContact CB-O 3.43Å; Y430-K454 HydrophobicContact CD1-CB 4.38Å; Y430-K454 HydrophobicContact CD2-CB 4.11Å; Y430-K454 HydrophobicContact CE1-CB 3.88Å; Y430-K454 HydrophobicContact CE2-CB 3.6Å; Y430-K454 HydrophobicContact CE2-CD 3.94Å; Y430-K454 HydrophobicContact CE2-CG 4.25Å; Y430-K454 HydrophobicContact CG-CB 4.49Å; Y430-K454 VanDerWaalsContact CZ-CB 3.47Å; Y430-K454 PolarHBondContact N-O 3.25Å; Y430-K454 PolarHBondContact O-N 3.48Å; Q432-K454 HydrophobicContact CB-CD 4.44Å; D452-K454 HydrophobicContact CB-CG 4.41Å; D452-K454 WeakPolarHBondContact OD2-CE 3.19Å; D452-K454 WeakPolarHBondContact OD2-CG 3.36Å
455	Y	90.8	Very high	88.2	Confident	58 Å²	58	55.5 Å²	55.5	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.4	-177.6	-70.3	-89.3	0	0	0	109.7	H428 F429 V453 K457 T459 K464 I467 T468	H428-Y455 CarbonylContact O-C 3.59Å; H428-Y455 VanDerWaalsContact O-CA 3.31Å; H428-Y455 WeakPolarHBondContact O-CA 3.43Å; F429-Y455 HydrophobicContact CB-CD1 3.97Å; F429-Y455 HydrophobicContact CB-CE1 4.02Å; V453-Y455 HydrophobicContact CG1-CE2 4.2Å; V453-Y455 WeakPolarHBondContact O-CD2 3.47Å; V453-Y455 VanDerWaalsContact O-CE2 3.25Å; V453-Y455 WeakPolarHBondContact O-CE2 3.44Å; Y455-K457 VanDerWaalsContact C-N 3.34Å; Y455-T459 HydrophobicContact CD1-CG2 3.73Å; Y455-T459 VanDerWaalsContact CD1-OG1 3.23Å; Y455-T459 WeakPolarHBondContact CD1-OG1 3.39Å; Y455-T459 HydrophobicContact CE1-CG2 4Å; Y455-T459 WeakPolarHBondContact CE1-OG1 3.41Å; Y455-K464 HydrophobicContact CE1-CG 4.03Å; Y455-K464 HydrophobicContact CE2-CD 4.44Å; Y455-K464 HydrophobicContact CE2-CG 4.15Å; Y455-K464 PolarHBondContact OH-O 3.09Å; Y455-I467 HydrophobicContact CE1-CB 4.33Å; Y455-I467 HydrophobicContact CE1-CD1 4.03Å; Y455-I467 HydrophobicContact CE1-CG2 4Å; Y455-I467 WeakPolarHBondContact OH-CG2 3.31Å; Y455-T468 PolarHBondContact OH-OG1 3.28Å
456	S	86.8	Confident	87.8	Confident	69 Å²	69	59 Å²	59	48%	0.483	31%	0.308	S	S	.	.	S	Bend	trans	-73.9	-27.1	174.8	49	0	0	0	0	112.3	D427 H428	D427-S456 PolarHBondContact O-OG 3.44Å; H428-S456 WeakPolarHBondContact CA-OG 3.23Å; H428-S456 PolarHBondContact O-N 3.35Å; H428-S456 PolarHBondContact O-OG 2.61Å; H428-S456 VanDerWaalsContact O-OG 3.13Å
457	K	88.2	Confident	87.5	Confident	92 Å²	92	56.7 Å²	56.7	40%	0.4	30%	0.299	S	S	.	.	S	Bend	trans	-131.5	151	-178.6	-58.3	-177.6	-175.7	-176.7	0	110.5	D427 H428 Y455 T459	D427-K457 WeakPolarHBondContact O-CD 3.39Å; D427-K457 VanDerWaalsContact O-CE 3.23Å; D427-K457 WeakPolarHBondContact O-CE 3.36Å; D427-K457 WeakPolarHBondContact OD2-CE 3.37Å; D427-K457 IonicContact OD2-NZ 2.92Å; D427-K457 PolarHBondContact OD2-NZ 3.09Å; H428-K457 HydrophobicContact CB-CB 4.21Å; H428-K457 PolarHBondContact O-N 3.03Å; Y455-K457 VanDerWaalsContact C-N 3.34Å; K457-T459 PolarHBondContact O-N 3.23Å
458	P	80.2	Confident	87.2	Confident	120 Å²	120	58.6 Å²	58.6	78%	0.779	31%	0.311	S	S	*	.			trans	-64.1	122.4	178.4	25.9	-34.1	0	0	0	111.4
459	T	78.8	Confident	86.9	Confident	25 Å²	25	64.4 Å²	64.4	15%	0.153	34%	0.337	C	S	.	.			trans	-109.7	132.2	177.5	49.6	0	0	0	0	111.4	H428 Y455 K457 I463 I467	H428-T459 HydrophobicContact CB-CG2 3.74Å; Y455-T459 HydrophobicContact CD1-CG2 3.73Å; Y455-T459 VanDerWaalsContact CD1-OG1 3.23Å; Y455-T459 WeakPolarHBondContact CD1-OG1 3.39Å; Y455-T459 HydrophobicContact CE1-CG2 4Å; Y455-T459 WeakPolarHBondContact CE1-OG1 3.41Å; K457-T459 PolarHBondContact O-N 3.23Å; T459-I463 HydrophobicContact CG2-CG2 4.31Å; T459-I467 HydrophobicContact CG2-CD1 4.15Å
460	F	75.8	Confident	86.6	Confident	166 Å²	166	66.2 Å²	66.2	73%	0.728	35%	0.347	S	S	*	.			trans	-71.7	152.4	176.5	-57.6	-76.5	0	0	0	111.6	L462 I463 K464	F460-L462 PolarHBondContact O-N 3Å; F460-L462 VanDerWaalsContact O-N 3.11Å; F460-I463 WeakPolarHBondContact O-CB 3.36Å; F460-I463 PolarHBondContact O-N 2.81Å; F460-K464 PolarHBondContact O-N 3.29Å
461	G	76.6	Confident	86.4	Confident	51 Å²	51	65.4 Å²	65.4	53%	0.526	35%	0.346	S	S	.	.	H	α-helix	trans	-51.6	-42.4	-161.9	0	0	0	0	0	116.7	K464 T465	G461-K464 PolarHBondContact O-N 3.47Å; G461-T465 WeakPolarHBondContact O-CB 3.32Å; G461-T465 PolarHBondContact O-N 3.02Å; G461-T465 PolarHBondContact O-OG1 3.18Å
462	L	78.6	Confident	86.3	Confident	157 Å²	157	68.2 Å²	68.2	82%	0.822	36%	0.357	S	S	*	.	H	α-helix	trans	-67.5	-42.6	177.9	-64	178	0	0	0	112.4	F460 T465 F466	F460-L462 PolarHBondContact O-N 3Å; F460-L462 VanDerWaalsContact O-N 3.11Å; L462-T465 PolarHBondContact O-N 3.42Å; L462-F466 WeakPolarHBondContact O-CB 3.27Å; L462-F466 PolarHBondContact O-N 3.18Å
463	I	83.6	Confident	86.2	Confident	42 Å²	42	69.7 Å²	69.7	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-45.7	176	-63.6	165.7	0	0	0	109.5	Y425 T459 F460 T465 F466 I467	Y425-I463 HydrophobicContact CD1-CG2 3.94Å; Y425-I463 HydrophobicContact CD2-CG2 3.87Å; Y425-I463 HydrophobicContact CE1-CD1 3.82Å; Y425-I463 HydrophobicContact CE1-CG1 4.27Å; Y425-I463 HydrophobicContact CE1-CG2 3.92Å; Y425-I463 HydrophobicContact CE2-CG1 4.42Å; Y425-I463 HydrophobicContact CE2-CG2 3.87Å; Y425-I463 HydrophobicContact CG-CG2 3.92Å; T459-I463 HydrophobicContact CG2-CG2 4.31Å; F460-I463 WeakPolarHBondContact O-CB 3.36Å; F460-I463 PolarHBondContact O-N 2.81Å; I463-T465 VanDerWaalsContact C-N 3.32Å; I463-T465 PolarHBondContact O-N 3.36Å; I463-F466 PolarHBondContact O-N 2.89Å; I463-I467 HydrophobicContact CG2-CD1 3.67Å; I463-I467 HydrophobicContact CG2-CG1 4.38Å; I463-I467 WeakPolarHBondContact O-CG1 3.22Å; I463-I467 PolarHBondContact O-N 3.35Å
464	K	86.9	Confident	86	Confident	98 Å²	98	71.2 Å²	71.2	43%	0.426	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-42.8	175.7	-166.5	172.6	-175.2	176.4	0	111.8	Y455 F460 G461 T468	Y455-K464 HydrophobicContact CE1-CG 4.03Å; Y455-K464 HydrophobicContact CE2-CD 4.44Å; Y455-K464 HydrophobicContact CE2-CG 4.15Å; Y455-K464 PolarHBondContact OH-O 3.09Å; F460-K464 PolarHBondContact O-N 3.29Å; G461-K464 PolarHBondContact O-N 3.47Å; K464-T468 WeakPolarHBondContact O-CB 3.45Å; K464-T468 PolarHBondContact O-N 2.85Å; K464-T468 PolarHBondContact O-OG1 2.82Å
465	T	86.2	Confident	86	Confident	69 Å²	69	69.4 Å²	69.4	42%	0.423	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-40.3	177.3	-57	0	0	0	0	111.7	G461 L462 I463 K469	G461-T465 WeakPolarHBondContact O-CB 3.32Å; G461-T465 PolarHBondContact O-N 3.02Å; G461-T465 PolarHBondContact O-OG1 3.18Å; L462-T465 PolarHBondContact O-N 3.42Å; I463-T465 VanDerWaalsContact C-N 3.32Å; I463-T465 PolarHBondContact O-N 3.36Å; T465-K469 VanDerWaalsContact O-CB 3.24Å; T465-K469 WeakPolarHBondContact O-CB 3.48Å; T465-K469 PolarHBondContact O-N 3.03Å
466	F	86.8	Confident	86.1	Confident	73 Å²	73	69.6 Å²	69.6	32%	0.32	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-51.3	176	-178.8	-93.5	0	0	0	111.9	L389 L462 I463 K469 N470	L389-F466 HydrophobicContact CB-CZ 4.21Å; L389-F466 HydrophobicContact CD1-CE2 3.95Å; L389-F466 HydrophobicContact CD1-CZ 4.34Å; L462-F466 WeakPolarHBondContact O-CB 3.27Å; L462-F466 PolarHBondContact O-N 3.18Å; I463-F466 PolarHBondContact O-N 2.89Å; F466-K469 PolarHBondContact O-N 3.24Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.4Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.42Å; F466-N470 VanDerWaalsContact CE2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.33Å; F466-N470 VanDerWaalsContact CZ-ND2 3.3Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.35Å; F466-N470 PolarHBondContact O-N 3.01Å; F466-N470 VanDerWaalsContact O-N 3.07Å; F466-N470 PolarHBondContact O-ND2 2.94Å
467	I	88.1	Confident	86.2	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-57.2	-56.6	176.4	-66.9	164.1	0	0	0	109.5	Y425 F429 V453 Y455 T459 I463 K469 N470 S471	Y425-I467 HydrophobicContact CD2-CD1 4.47Å; Y425-I467 HydrophobicContact CG-CD1 4.38Å; F429-I467 HydrophobicContact CB-CG2 4.09Å; F429-I467 HydrophobicContact CD1-CB 4.48Å; F429-I467 HydrophobicContact CD1-CD1 3.73Å; F429-I467 HydrophobicContact CD1-CG1 4.02Å; F429-I467 HydrophobicContact CD1-CG2 3.6Å; F429-I467 HydrophobicContact CD2-CG2 3.64Å; F429-I467 HydrophobicContact CE1-CD1 4.17Å; F429-I467 HydrophobicContact CE1-CG1 4.02Å; F429-I467 HydrophobicContact CE1-CG2 3.87Å; F429-I467 HydrophobicContact CE2-CG2 3.91Å; F429-I467 HydrophobicContact CG-CD1 4.46Å; F429-I467 HydrophobicContact CG-CG2 3.48Å; F429-I467 VanDerWaalsContact CG-CG2 3.48Å; F429-I467 HydrophobicContact CZ-CG2 4.01Å; V453-I467 HydrophobicContact CG1-CG2 4.22Å; Y455-I467 HydrophobicContact CE1-CB 4.33Å; Y455-I467 HydrophobicContact CE1-CD1 4.03Å; Y455-I467 HydrophobicContact CE1-CG2 4Å; Y455-I467 WeakPolarHBondContact OH-CG2 3.31Å; T459-I467 HydrophobicContact CG2-CD1 4.15Å; I463-I467 HydrophobicContact CG2-CD1 3.67Å; I463-I467 HydrophobicContact CG2-CG1 4.38Å; I463-I467 WeakPolarHBondContact O-CG1 3.22Å; I463-I467 PolarHBondContact O-N 3.35Å; I467-K469 VanDerWaalsContact C-N 3.31Å; I467-K469 PolarHBondContact O-N 3.46Å; I467-N470 PolarHBondContact O-N 3Å; I467-S471 WeakPolarHBondContact O-CB 3.36Å; I467-S471 PolarHBondContact O-N 3.13Å; I467-S471 PolarHBondContact O-OG 3.24Å; I467-S471 VanDerWaalsContact O-OG 3.12Å
468	T	88.4	Confident	86.4	Confident	41 Å²	41	67.7 Å²	67.7	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-53	-45.9	-178.9	-56.7	0	0	0	0	112	Y455 K464 W472	Y455-T468 PolarHBondContact OH-OG1 3.28Å; K464-T468 WeakPolarHBondContact O-CB 3.45Å; K464-T468 PolarHBondContact O-N 2.85Å; K464-T468 PolarHBondContact O-OG1 2.82Å; T468-W472 VanDerWaalsContact CG2-CD1 3.47Å; T468-W472 VanDerWaalsContact CG2-NE1 3.34Å; T468-W472 WeakPolarHBondContact O-CB 3.49Å; T468-W472 VanDerWaalsContact O-CG 3.29Å; T468-W472 PolarHBondContact O-N 3.1Å; T468-W472 VanDerWaalsContact O-N 3.08Å
469	K	89.1	Confident	87	Confident	142 Å²	142	62.2 Å²	62.2	62%	0.617	33%	0.33	S	S	*	.	H	α-helix	trans	-64.3	-51	179.5	-174.5	-167.5	172.9	-162.7	0	112	T465 F466 I467 T473	T465-K469 VanDerWaalsContact O-CB 3.24Å; T465-K469 WeakPolarHBondContact O-CB 3.48Å; T465-K469 PolarHBondContact O-N 3.03Å; F466-K469 PolarHBondContact O-N 3.24Å; I467-K469 VanDerWaalsContact C-N 3.31Å; I467-K469 PolarHBondContact O-N 3.46Å; K469-T473 PolarHBondContact O-N 3.33Å; K469-T473 PolarHBondContact O-OG1 3.18Å
470	N	89.5	Confident	87.7	Confident	39 Å²	39	67.1 Å²	67.1	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-69.1	-42.8	-175.6	-69	-69.4	0	0	0	111.7	N387 I390 F466 I467 T473 G474	N387-N470 PolarHBondContact ND2-OD1 2.84Å; I390-N470 HydrophobicContact CD1-CB 4.28Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.4Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.42Å; F466-N470 VanDerWaalsContact CE2-ND2 3.3Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.33Å; F466-N470 VanDerWaalsContact CZ-ND2 3.3Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.35Å; F466-N470 PolarHBondContact O-N 3.01Å; F466-N470 VanDerWaalsContact O-N 3.07Å; F466-N470 PolarHBondContact O-ND2 2.94Å; I467-N470 PolarHBondContact O-N 3Å; N470-T473 PolarHBondContact O-N 2.85Å; N470-G474 PolarHBondContact O-N 2.94Å
471	S	90.7	Very high	88.4	Confident	20 Å²	20	62.4 Å²	62.4	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-47.1	176.9	-61.3	0	0	0	0	111.5	I467 T473 G474 I475	I467-S471 WeakPolarHBondContact O-CB 3.36Å; I467-S471 PolarHBondContact O-N 3.13Å; I467-S471 PolarHBondContact O-OG 3.24Å; I467-S471 VanDerWaalsContact O-OG 3.12Å; S471-T473 PolarHBondContact O-N 3.1Å; S471-G474 PolarHBondContact O-N 3.09Å; S471-I475 WeakPolarHBondContact O-CB 3.33Å; S471-I475 WeakPolarHBondContact O-CD1 3.26Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.33Å
472	W	90.8	Very high	89.3	Confident	60 Å²	60	60.1 Å²	60.1	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-36.8	179	-72.8	145.7	0	0	0	113.7	R325 Y327 S451 V453 T468 I475 E476	R325-W472 HydrophobicContact CB-CH2 4.2Å; Y327-W472 AromaticContact CE2-CE3 3.75Å; Y327-W472 HydrophobicContact CE2-CE3 3.75Å; Y327-W472 HydrophobicContact CE2-CH2 4.42Å; Y327-W472 AromaticContact CE2-CZ3 3.58Å; Y327-W472 HydrophobicContact CE2-CZ3 3.58Å; Y327-W472 AromaticContact CZ-CE3 3.72Å; S451-W472 VanDerWaalsContact O-CH2 3.3Å; S451-W472 WeakPolarHBondContact O-CH2 3.28Å; V453-W472 HydrophobicContact CG2-CD2 4.1Å; V453-W472 HydrophobicContact CG2-CE3 3.84Å; V453-W472 HydrophobicContact CG2-CH2 4.08Å; V453-W472 HydrophobicContact CG2-CZ2 4.26Å; V453-W472 HydrophobicContact CG2-CZ3 3.84Å; T468-W472 VanDerWaalsContact CG2-CD1 3.47Å; T468-W472 VanDerWaalsContact CG2-NE1 3.34Å; T468-W472 WeakPolarHBondContact O-CB 3.49Å; T468-W472 VanDerWaalsContact O-CG 3.29Å; T468-W472 PolarHBondContact O-N 3.1Å; T468-W472 VanDerWaalsContact O-N 3.08Å; W472-I475 HydrophobicContact CE3-CD1 3.69Å; W472-I475 HydrophobicContact CE3-CG2 4.41Å; W472-I475 HydrophobicContact CZ3-CD1 4Å; W472-E476 WeakPolarHBondContact O-CB 3.08Å; W472-E476 PolarHBondContact O-N 2.86Å
473	T	90.3	Very high	90	Very high	76 Å²	76	55.5 Å²	55.5	47%	0.466	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-46.3	173.5	-62.1	0	0	0	0	111	K469 N470 S471 I475 E476 D477	K469-T473 PolarHBondContact O-N 3.33Å; K469-T473 PolarHBondContact O-OG1 3.18Å; N470-T473 PolarHBondContact O-N 2.85Å; S471-T473 PolarHBondContact O-N 3.1Å; T473-I475 VanDerWaalsContact C-N 3.35Å; T473-I475 PolarHBondContact O-N 3.37Å; T473-E476 PolarHBondContact O-N 2.98Å; T473-D477 PolarHBondContact O-N 2.89Å
474	G	89.5	Confident	90.4	Very high	41 Å²	41	55.7 Å²	55.7	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-39.8	177.2	0	0	0	0	0	113.6	N470 S471 Y478	N470-G474 PolarHBondContact O-N 2.94Å; S471-G474 PolarHBondContact O-N 3.09Å; G474-Y478 VanDerWaalsContact O-CB 3.25Å; G474-Y478 WeakPolarHBondContact O-CB 3.33Å; G474-Y478 PolarHBondContact O-N 2.9Å
475	I	91.4	Very high	90.8	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-47.4	175.4	-72.3	163.8	0	0	0	110.9	Y327 T431 V453 S471 W472 T473 Y478 F479	Y327-I475 HydrophobicContact CD1-CG2 4.13Å; Y327-I475 HydrophobicContact CD2-CG2 3.84Å; Y327-I475 HydrophobicContact CE1-CG2 3.94Å; Y327-I475 HydrophobicContact CE2-CG2 3.65Å; Y327-I475 HydrophobicContact CG-CG2 4.08Å; T431-I475 HydrophobicContact CG2-CD1 3.63Å; T431-I475 HydrophobicContact CG2-CG1 4.16Å; V453-I475 HydrophobicContact CG2-CD1 3.9Å; S471-I475 WeakPolarHBondContact O-CB 3.33Å; S471-I475 WeakPolarHBondContact O-CD1 3.26Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.33Å; W472-I475 HydrophobicContact CE3-CD1 3.69Å; W472-I475 HydrophobicContact CE3-CG2 4.41Å; W472-I475 HydrophobicContact CZ3-CD1 4Å; T473-I475 VanDerWaalsContact C-N 3.35Å; T473-I475 PolarHBondContact O-N 3.37Å; I475-Y478 PolarHBondContact O-N 3.48Å; I475-F479 HydrophobicContact CG2-CD2 3.84Å; I475-F479 HydrophobicContact CG2-CE2 3.91Å; I475-F479 VanDerWaalsContact O-CD2 3.29Å; I475-F479 WeakPolarHBondContact O-CD2 3.39Å; I475-F479 PolarHBondContact O-N 3.47Å
476	E	91.2	Very high	91.1	Very high	63 Å²	63	49.2 Å²	49.2	29%	0.294	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-45.8	-179.6	-157.8	179.5	112.6	0	0	111.1	R325 Y327 W472 T473 Y478 F479 R480	R325-E476 IonicContact CZ-OE2 2.7Å; R325-E476 IonicContact NH1-OE2 2.73Å; R325-E476 PolarHBondContact NH1-OE2 2.72Å; R325-E476 IonicContact NH2-OE2 2.9Å; R325-E476 PolarHBondContact NH2-OE2 2.93Å; Y327-E476 HydrophobicContact CD1-CB 4.28Å; Y327-E476 HydrophobicContact CD1-CG 4.14Å; Y327-E476 HydrophobicContact CE1-CB 3.73Å; Y327-E476 HydrophobicContact CE1-CG 3.83Å; W472-E476 WeakPolarHBondContact O-CB 3.08Å; W472-E476 PolarHBondContact O-N 2.86Å; T473-E476 PolarHBondContact O-N 2.98Å; E476-Y478 VanDerWaalsContact C-N 3.31Å; E476-Y478 PolarHBondContact O-N 3.29Å; E476-F479 PolarHBondContact O-N 2.98Å; E476-R480 WeakPolarHBondContact O-CB 3.3Å; E476-R480 PolarHBondContact O-N 3.33Å; E476-R480 IonicContact OE1-CZ 2.64Å; E476-R480 IonicContact OE1-NH1 3.65Å; E476-R480 PolarHBondContact OE1-NH1 2.93Å; E476-R480 VanDerWaalsContact OE1-NH1 3.13Å; E476-R480 IonicContact OE1-NH2 2.67Å; E476-R480 PolarHBondContact OE1-NH2 3.25Å
477	D	90.7	Very high	91.4	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	25%	0.25	S	C	.	.	H	α-helix	trans	-71.9	-23.2	178.8	-68.6	-27.9	0	0	0	113	R357 T473 R480 Q481	R357-D477 PolarHBondContact NH1-O 2.92Å; T473-D477 PolarHBondContact O-N 2.89Å; D477-R480 IonicContact OD1-CZ 3.91Å; D477-R480 IonicContact OD1-NE 3.11Å; D477-R480 PolarHBondContact OD1-NE 3.47Å; D477-R480 VanDerWaalsContact OD1-NE 3.1Å; D477-R480 IonicContact OD1-NH2 3.46Å; D477-R480 PolarHBondContact OD1-NH2 3Å; D477-Q481 PolarHBondContact O-N 3.43Å
478	Y	91.6	Very high	91.6	Very high	55 Å²	55	54 Å²	54	22%	0.216	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-53.6	169.5	177	-94.1	0	0	0	111.1	F353 G474 I475 E476 R480 Q481 L482	F353-Y478 HydrophobicContact CE1-CD2 4.29Å; F353-Y478 AromaticContact CE1-CE2 3.48Å; F353-Y478 HydrophobicContact CE1-CE2 3.48Å; F353-Y478 VanDerWaalsContact CE1-CE2 3.48Å; F353-Y478 AromaticContact CE1-CZ 3.66Å; F353-Y478 AromaticContact CZ-CD2 3.99Å; F353-Y478 HydrophobicContact CZ-CD2 3.99Å; F353-Y478 AromaticContact CZ-CE2 3.63Å; F353-Y478 HydrophobicContact CZ-CE2 3.63Å; F353-Y478 AromaticContact CZ-CZ 3.94Å; G474-Y478 VanDerWaalsContact O-CB 3.25Å; G474-Y478 WeakPolarHBondContact O-CB 3.33Å; G474-Y478 PolarHBondContact O-N 2.9Å; I475-Y478 PolarHBondContact O-N 3.48Å; E476-Y478 VanDerWaalsContact C-N 3.31Å; E476-Y478 PolarHBondContact O-N 3.29Å; Y478-R480 PolarHBondContact O-N 3.34Å; Y478-Q481 PolarHBondContact O-N 2.86Å; Y478-L482 HydrophobicContact CE1-CD2 4.47Å; Y478-L482 PolarHBondContact O-N 2.94Å
479	F	93.1	Very high	91.7	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-30	-178.5	-71.9	-60.6	0	0	0	113.4	Y327 N433 Y435 V449 S451 I475 E476 L482 E483	Y327-F479 HydrophobicContact CG-CD2 4.23Å; N433-F479 HydrophobicContact CB-CZ 4.38Å; Y435-F479 AromaticContact CE1-CE1 3.81Å; Y435-F479 HydrophobicContact CE1-CE1 3.81Å; Y435-F479 HydrophobicContact CE1-CZ 4.35Å; Y435-F479 AromaticContact CZ-CE1 3.98Å; V449-F479 HydrophobicContact CB-CE1 4.37Å; V449-F479 HydrophobicContact CG1-CD1 4.39Å; V449-F479 HydrophobicContact CG1-CE1 3.7Å; V449-F479 HydrophobicContact CG1-CE2 4.27Å; V449-F479 HydrophobicContact CG1-CZ 3.64Å; V449-F479 HydrophobicContact CG2-CE1 4.47Å; S451-F479 WeakPolarHBondContact OG-CE2 3.37Å; I475-F479 HydrophobicContact CG2-CD2 3.84Å; I475-F479 HydrophobicContact CG2-CE2 3.91Å; I475-F479 VanDerWaalsContact O-CD2 3.29Å; I475-F479 WeakPolarHBondContact O-CD2 3.39Å; I475-F479 PolarHBondContact O-N 3.47Å; E476-F479 PolarHBondContact O-N 2.98Å; F479-L482 HydrophobicContact CD1-CD2 3.93Å; F479-L482 HydrophobicContact CE1-CD2 4.08Å; F479-L482 PolarHBondContact O-N 2.92Å; F479-E483 WeakPolarHBondContact O-CB 3.43Å; F479-E483 PolarHBondContact O-N 3.27Å
480	R	92.4	Very high	91.8	Very high	128 Å²	128	47.9 Å²	47.9	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-41.7	171.8	-162	-165.6	-38.6	-73.8	5.1	112	E476 D477 Y478 A484	E476-R480 WeakPolarHBondContact O-CB 3.3Å; E476-R480 PolarHBondContact O-N 3.33Å; E476-R480 IonicContact OE1-CZ 2.64Å; E476-R480 IonicContact OE1-NH1 3.65Å; E476-R480 PolarHBondContact OE1-NH1 2.93Å; E476-R480 VanDerWaalsContact OE1-NH1 3.13Å; E476-R480 IonicContact OE1-NH2 2.67Å; E476-R480 PolarHBondContact OE1-NH2 3.25Å; D477-R480 IonicContact OD1-CZ 3.91Å; D477-R480 IonicContact OD1-NE 3.11Å; D477-R480 PolarHBondContact OD1-NE 3.47Å; D477-R480 VanDerWaalsContact OD1-NE 3.1Å; D477-R480 IonicContact OD1-NH2 3.46Å; D477-R480 PolarHBondContact OD1-NH2 3Å; Y478-R480 PolarHBondContact O-N 3.34Å; R480-A484 PolarHBondContact O-N 2.67Å
481	Q	91.7	Very high	91.8	Very high	67 Å²	67	48.4 Å²	48.4	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-71.3	-44.4	174.6	-163.7	71.6	34.3	0	0	110.9	F353 I356 D477 Y478 E483 A484 E485	F353-Q481 HydrophobicContact CE2-CB 4.16Å; F353-Q481 HydrophobicContact CE2-CG 4.15Å; I356-Q481 HydrophobicContact CG2-CG 4.37Å; D477-Q481 PolarHBondContact O-N 3.43Å; Y478-Q481 PolarHBondContact O-N 2.86Å; Q481-E483 VanDerWaalsContact C-N 3.28Å; Q481-E483 PolarHBondContact O-N 3.04Å; Q481-A484 WeakPolarHBondContact O-CB 3.27Å; Q481-A484 PolarHBondContact O-N 3.45Å; Q481-E485 HydrophobicContact CG-CG 4.35Å; Q481-E485 PolarHBondContact NE2-OE1 3.16Å; Q481-E485 WeakPolarHBondContact O-CG 3.37Å; Q481-E485 PolarHBondContact O-N 3.01Å
482	L	93.9	Very high	91.6	Very high	3 Å²	3	53 Å²	53	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-40.5	179.5	-172.7	68.2	0	0	0	112	L343 F349 F353 Y478 F479 L486	L343-L482 HydrophobicContact CD2-CD1 3.9Å; L343-L482 HydrophobicContact CD2-CD2 4.3Å; L343-L482 HydrophobicContact CD2-CG 4.47Å; F349-L482 HydrophobicContact CE1-CD1 4.02Å; F349-L482 HydrophobicContact CZ-CD1 4.05Å; F353-L482 HydrophobicContact CD1-CD1 4.12Å; F353-L482 HydrophobicContact CD2-CD1 4.24Å; F353-L482 HydrophobicContact CE1-CD1 3.87Å; F353-L482 HydrophobicContact CE2-CB 3.99Å; F353-L482 HydrophobicContact CE2-CD1 3.99Å; F353-L482 HydrophobicContact CG-CD1 4.3Å; F353-L482 HydrophobicContact CZ-CB 3.88Å; F353-L482 HydrophobicContact CZ-CD1 3.79Å; F353-L482 HydrophobicContact CZ-CG 4.41Å; Y478-L482 HydrophobicContact CE1-CD2 4.47Å; Y478-L482 PolarHBondContact O-N 2.94Å; F479-L482 HydrophobicContact CD1-CD2 3.93Å; F479-L482 HydrophobicContact CE1-CD2 4.08Å; F479-L482 PolarHBondContact O-N 2.92Å; L482-L486 HydrophobicContact CG-CD1 4.13Å; L482-L486 WeakPolarHBondContact O-CB 3.44Å; L482-L486 VanDerWaalsContact O-CG 3.23Å; L482-L486 WeakPolarHBondContact O-CG 3.44Å; L482-L486 PolarHBondContact O-N 2.82Å; L482-L486 VanDerWaalsContact O-N 3.09Å
483	E	93.3	Very high	91.1	Very high	59 Å²	59	53 Å²	53	28%	0.276	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-43.6	173.5	-171.8	-172.4	149.8	0	0	111.8	L328 K330 F332 F479 Q481 L487	L328-E483 HydrophobicContact CD1-CB 3.99Å; L328-E483 HydrophobicContact CD1-CG 3.78Å; L328-E483 WeakPolarHBondContact CD1-OE2 3.44Å; K330-E483 HydrophobicContact CD-CG 3.9Å; K330-E483 VanDerWaalsContact CD-OE1 3.24Å; K330-E483 WeakPolarHBondContact CD-OE1 3.4Å; K330-E483 WeakPolarHBondContact CE-OE1 3.48Å; K330-E483 IonicContact NZ-OE1 2.63Å; K330-E483 PolarHBondContact NZ-OE1 3.24Å; F332-E483 HydrophobicContact CZ-CG 4.46Å; F479-E483 WeakPolarHBondContact O-CB 3.43Å; F479-E483 PolarHBondContact O-N 3.27Å; Q481-E483 VanDerWaalsContact C-N 3.28Å; Q481-E483 PolarHBondContact O-N 3.04Å; E483-L487 HydrophobicContact CG-CD1 4.17Å; E483-L487 WeakPolarHBondContact O-CD1 3.49Å; E483-L487 WeakPolarHBondContact O-CG 3.26Å; E483-L487 PolarHBondContact O-N 2.82Å
484	A	93.3	Very high	90.6	Very high	47 Å²	47	52.1 Å²	52.1	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-50.2	-179.6	0	0	0	0	0	112.2	R480 Q481 L486 L487 E488	R480-A484 PolarHBondContact O-N 2.67Å; Q481-A484 WeakPolarHBondContact O-CB 3.27Å; Q481-A484 PolarHBondContact O-N 3.45Å; A484-L486 PolarHBondContact O-N 2.92Å; A484-L487 PolarHBondContact O-N 2.91Å; A484-E488 PolarHBondContact O-N 2.88Å; A484-E488 VanDerWaalsContact O-N 3.17Å
485	E	93.8	Very high	89.8	Confident	31 Å²	31	56.1 Å²	56.1	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-39.7	179.2	-54.1	-61.9	143.2	0	0	111.5	F349 F353 I356 Q481 L487 E488 E489	F349-E485 HydrophobicContact CE2-CB 3.58Å; F349-E485 HydrophobicContact CZ-CB 3.9Å; F353-E485 HydrophobicContact CD2-CG 3.99Å; I356-E485 VanDerWaalsContact CD1-OE2 3.31Å; I356-E485 WeakPolarHBondContact CD1-OE2 3.21Å; Q481-E485 HydrophobicContact CG-CG 4.35Å; Q481-E485 PolarHBondContact NE2-OE1 3.16Å; Q481-E485 WeakPolarHBondContact O-CG 3.37Å; Q481-E485 PolarHBondContact O-N 3.01Å; E485-L487 PolarHBondContact O-N 2.92Å; E485-E488 PolarHBondContact O-N 2.85Å; E485-E488 VanDerWaalsContact O-N 3.12Å; E485-E489 PolarHBondContact O-N 2.86Å
486	L	93.7	Very high	88.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-29.5	177.6	-77.3	173.9	0	0	0	112.8	F332 L339 L343 F349 L447 L482 A484 E490	F332-L486 HydrophobicContact CD1-CB 4.08Å; F332-L486 HydrophobicContact CE1-CB 3.42Å; F332-L486 VanDerWaalsContact CE1-CB 3.42Å; F332-L486 HydrophobicContact CE1-CD1 4.26Å; F332-L486 HydrophobicContact CE1-CG 4.48Å; F332-L486 HydrophobicContact CE2-CD1 4.35Å; F332-L486 HydrophobicContact CZ-CB 3.9Å; F332-L486 HydrophobicContact CZ-CD1 3.9Å; L339-L486 HydrophobicContact CD1-CD1 4.14Å; L339-L486 HydrophobicContact CD1-CD2 3.71Å; L343-L486 HydrophobicContact CD2-CD1 4.41Å; L343-L486 HydrophobicContact CD2-CD2 4.28Å; F349-L486 HydrophobicContact CE1-CD2 3.93Å; F349-L486 HydrophobicContact CE1-CG 4.41Å; F349-L486 HydrophobicContact CE2-CD2 3.97Å; F349-L486 HydrophobicContact CE2-CG 4.26Å; F349-L486 HydrophobicContact CZ-CD2 3.54Å; F349-L486 HydrophobicContact CZ-CG 3.71Å; L447-L486 HydrophobicContact CD2-CD1 3.88Å; L482-L486 HydrophobicContact CG-CD1 4.13Å; L482-L486 WeakPolarHBondContact O-CB 3.44Å; L482-L486 VanDerWaalsContact O-CG 3.23Å; L482-L486 WeakPolarHBondContact O-CG 3.44Å; L482-L486 PolarHBondContact O-N 2.82Å; L482-L486 VanDerWaalsContact O-N 3.09Å; A484-L486 PolarHBondContact O-N 2.92Å; L486-E490 VanDerWaalsContact O-CB 3.31Å; L486-E490 WeakPolarHBondContact O-CB 3.18Å; L486-E490 PolarHBondContact O-N 2.66Å
487	L	92.9	Very high	86.6	Confident	59 Å²	59	60.5 Å²	60.5	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-75.7	-33.1	174.1	-65.9	162.3	0	0	0	112	K330 F332 E483 A484 E485 S491	K330-L487 HydrophobicContact CD-CD2 4.35Å; K330-L487 VanDerWaalsContact NZ-CD1 3.31Å; F332-L487 HydrophobicContact CD1-CD2 4.19Å; F332-L487 HydrophobicContact CE1-CD2 3.92Å; F332-L487 HydrophobicContact CE1-CG 4.04Å; E483-L487 HydrophobicContact CG-CD1 4.17Å; E483-L487 WeakPolarHBondContact O-CD1 3.49Å; E483-L487 WeakPolarHBondContact O-CG 3.26Å; E483-L487 PolarHBondContact O-N 2.82Å; A484-L487 PolarHBondContact O-N 2.91Å; E485-L487 PolarHBondContact O-N 2.92Å; L487-S491 WeakPolarHBondContact O-CB 3.47Å; L487-S491 PolarHBondContact O-N 2.69Å
488	E	91.7	Very high	84.6	Confident	119 Å²	119	60.2 Å²	60.2	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-68.1	-46.6	173.6	-167.5	155.6	178.7	0	0	110.3	A484 E485 E490 S491 E492	A484-E488 PolarHBondContact O-N 2.88Å; A484-E488 VanDerWaalsContact O-N 3.17Å; E485-E488 PolarHBondContact O-N 2.85Å; E485-E488 VanDerWaalsContact O-N 3.12Å; E488-E490 PolarHBondContact O-N 2.9Å; E488-S491 WeakPolarHBondContact O-CA 3.47Å; E488-S491 WeakPolarHBondContact O-CB 3.42Å; E488-S491 PolarHBondContact O-N 3.23Å; E488-S491 PolarHBondContact O-OG 3.34Å; E488-E492 PolarHBondContact O-N 3.28Å
489	E	91.4	Very high	82.4	Confident	26 Å²	26	64.1 Å²	64.1	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-43.3	173.6	-161	79.9	-174.9	0	0	112.2	L342 F349 R352 E485 S491 E492 M493	L342-E489 HydrophobicContact CD1-CG 4.11Å; L342-E489 HydrophobicContact CD2-CG 4.18Å; F349-E489 HydrophobicContact CD2-CB 4.07Å; F349-E489 HydrophobicContact CD2-CG 4.07Å; F349-E489 HydrophobicContact CE2-CB 4.33Å; R352-E489 IonicContact CZ-OE2 3.95Å; R352-E489 VanDerWaalsContact NH2-CD 3.25Å; R352-E489 IonicContact NH2-OE1 3.43Å; R352-E489 PolarHBondContact NH2-OE1 3.35Å; R352-E489 VanDerWaalsContact NH2-OE1 3.11Å; R352-E489 IonicContact NH2-OE2 2.92Å; R352-E489 PolarHBondContact NH2-OE2 2.82Å; E485-E489 PolarHBondContact O-N 2.86Å; E489-S491 VanDerWaalsContact C-N 3.27Å; E489-S491 PolarHBondContact O-N 2.77Å; E489-E492 PolarHBondContact O-N 2.81Å; E489-M493 WeakPolarHBondContact O-CB 3.45Å; E489-M493 WeakPolarHBondContact O-CG 3.21Å; E489-M493 PolarHBondContact O-N 2.99Å
490	E	90.9	Very high	80	Confident	28 Å²	28	69.8 Å²	69.8	13%	0.131	39%	0.387	C	S	.	.	H	α-helix	trans	-58	-40.1	172.7	175	177.6	150.8	0	0	111.8	F332 H333 M334 L486 E488 N494	F332-E490 WeakPolarHBondContact CA-OE2 3.49Å; F332-E490 VanDerWaalsContact CB-OE2 3.26Å; F332-E490 WeakPolarHBondContact CB-OE2 3.39Å; F332-E490 VanDerWaalsContact CD1-OE2 3.32Å; F332-E490 WeakPolarHBondContact CD1-OE2 3.31Å; H333-E490 HydrophobicContact CB-CG 4.02Å; H333-E490 WeakPolarHBondContact CB-OE1 3.45Å; H333-E490 IonicContact CE1-OE1 3.85Å; H333-E490 IonicContact CG-OE1 2.81Å; H333-E490 PolarHBondContact N-OE1 3.47Å; H333-E490 PolarHBondContact N-OE2 3.34Å; H333-E490 IonicContact ND1-OE1 3.37Å; H333-E490 PolarHBondContact ND1-OE1 2.8Å; M334-E490 HydrophobicContact CE-CB 4.03Å; L486-E490 VanDerWaalsContact O-CB 3.31Å; L486-E490 WeakPolarHBondContact O-CB 3.18Å; L486-E490 PolarHBondContact O-N 2.66Å; E488-E490 PolarHBondContact O-N 2.9Å; E490-N494 WeakPolarHBondContact O-CB 3.26Å; E490-N494 PolarHBondContact O-N 3.36Å; E490-N494 PolarHBondContact O-ND2 2.74Å
491	S	89.1	Confident	77.7	Confident	51 Å²	51	66.4 Å²	66.4	36%	0.357	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-39.9	179.8	87	0	0	0	0	112.1	L487 E488 E489 Q495	L487-S491 WeakPolarHBondContact O-CB 3.47Å; L487-S491 PolarHBondContact O-N 2.69Å; E488-S491 WeakPolarHBondContact O-CA 3.47Å; E488-S491 WeakPolarHBondContact O-CB 3.42Å; E488-S491 PolarHBondContact O-N 3.23Å; E488-S491 PolarHBondContact O-OG 3.34Å; E489-S491 VanDerWaalsContact C-N 3.27Å; E489-S491 PolarHBondContact O-N 2.77Å; S491-Q495 WeakPolarHBondContact O-CB 3.44Å; S491-Q495 VanDerWaalsContact O-CG 3.27Å; S491-Q495 WeakPolarHBondContact O-CG 3.38Å; S491-Q495 PolarHBondContact O-N 2.97Å; S491-Q495 PolarHBondContact O-NE2 2.94Å
492	E	86.8	Confident	75.2	Confident	117 Å²	117	72.2 Å²	72.2	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-47.4	176.5	-65.9	-157.3	147	0	0	110.8	E488 E489 N494 Q495 A496	E488-E492 PolarHBondContact O-N 3.28Å; E489-E492 PolarHBondContact O-N 2.81Å; E492-N494 VanDerWaalsContact C-N 3.32Å; E492-N494 PolarHBondContact O-N 3.11Å; E492-Q495 PolarHBondContact O-N 2.97Å; E492-A496 PolarHBondContact O-N 3.1Å
493	M	80.4	Confident	72.5	Confident	59 Å²	59	77.3 Å²	77.3	29%	0.291	46%	0.459	S	S	.	.	H	α-helix	trans	-58	-40.9	177.1	-80.5	-177.7	46	0	0	112.9	M334 K338 E489	M334-M493 HydrophobicContact CB-CE 3.87Å; K338-M493 HydrophobicContact CG-CE 3.9Å; K338-M493 HydrophobicContact CG-SD 4.08Å; E489-M493 WeakPolarHBondContact O-CB 3.45Å; E489-M493 WeakPolarHBondContact O-CG 3.21Å; E489-M493 PolarHBondContact O-N 2.99Å
494	N	79.3	Confident	70.1	Confident	58 Å²	58	77.8 Å²	77.8	31%	0.31	48%	0.48	S	S	.	.	H	α-helix	trans	-79.3	-27.7	-179.5	-77.1	-78	0	0	0	113	H333 E490 E492 V497	H333-N494 PolarHBondContact O-ND2 2.89Å; H333-N494 VanDerWaalsContact O-ND2 3.12Å; E490-N494 WeakPolarHBondContact O-CB 3.26Å; E490-N494 PolarHBondContact O-N 3.36Å; E490-N494 PolarHBondContact O-ND2 2.74Å; E492-N494 VanDerWaalsContact C-N 3.32Å; E492-N494 PolarHBondContact O-N 3.11Å; N494-V497 PolarHBondContact O-N 3.45Å
495	Q	72.9	Confident	67.5	Low	124 Å²	124	81.2 Å²	81.2	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-42.6	168.9	-78.3	169.7	101	0	0	111.6	S491 E492 V497 G498 E499	S491-Q495 WeakPolarHBondContact O-CB 3.44Å; S491-Q495 VanDerWaalsContact O-CG 3.27Å; S491-Q495 WeakPolarHBondContact O-CG 3.38Å; S491-Q495 PolarHBondContact O-N 2.97Å; S491-Q495 PolarHBondContact O-NE2 2.94Å; E492-Q495 PolarHBondContact O-N 2.97Å; Q495-V497 PolarHBondContact O-N 2.84Å; Q495-V497 VanDerWaalsContact O-N 3.17Å; Q495-G498 WeakPolarHBondContact O-CA 3.34Å; Q495-G498 PolarHBondContact O-N 3.39Å; Q495-E499 PolarHBondContact O-N 2.87Å
496	A	59.6	Low	65	Low	78 Å²	78	91.8 Å²	91.8	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-59.7	-27.8	178.5	0	0	0	0	0	113.9	E492	E492-A496 PolarHBondContact O-N 3.1Å
497	V	55.7	Low	62.7	Low	91 Å²	91	103.1 Å²	103.1	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-82.2	-15.8	175.1	-179.8	0	0	0	0	112.5	N494 Q495	N494-V497 PolarHBondContact O-N 3.45Å; Q495-V497 PolarHBondContact O-N 2.84Å; Q495-V497 VanDerWaalsContact O-N 3.17Å
498	G	49.5	Very low	60.2	Low	58 Å²	58	111.4 Å²	111.4	60%	0.598	61%	0.605	S	S	*	*	H	α-helix	trans	-86.8	-24.9	178.3	0	0	0	0	0	115.1	Q495	Q495-G498 WeakPolarHBondContact O-CA 3.34Å; Q495-G498 PolarHBondContact O-N 3.39Å
499	E	44.9	Very low	57.5	Low	137 Å²	137	116.8 Å²	116.8	64%	0.64	62%	0.62	S	S	*	*			trans	-93.8	13	-168.8	-66.8	-150.8	141.7	0	0	116.1	Q495 G501	Q495-E499 PolarHBondContact O-N 2.87Å; E499-G501 PolarHBondContact O-N 2.83Å
500	S	42.1	Very low	54.8	Low	126 Å²	126	126.6 Å²	126.6	88%	0.881	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	10.6	167.8	72.1	0	0	0	0	113.9
501	G	45.5	Very low	51.8	Low	57 Å²	57	131.2 Å²	131.2	59%	0.588	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.2	6.1	-166	0	0	0	0	0	117.1	E499	E499-G501 PolarHBondContact O-N 2.83Å
502	K	39.2	Very low	49	Very low	188 Å²	188	138 Å²	138	82%	0.817	71%	0.709	S	S	*	*			trans	-173.9	133.4	162.7	-104	144	-170.2	175.1	0	111
503	A	36.2	Very low	46.1	Very low	110 Å²	110	138 Å²	138	91%	0.909	72%	0.722	S	S	*	*			trans	-85.9	133.7	178.6	0	0	0	0	0	112.5
504	G	42.4	Very low	43.8	Very low	70 Å²	70	146.6 Å²	146.6	72%	0.722	75%	0.751	S	S	*	*			trans	107.3	65.9	138.2	0	0	0	0	0	119.1
505	V	40.2	Very low	41.3	Very low	119 Å²	119	150.3 Å²	150.3	72%	0.721	78%	0.776	S	S	*	*			trans	-126.5	85.4	154.4	-172.2	0	0	0	0	111.1	R507	V505-R507 HydrophobicContact CG1-CG 4.44Å; V505-R507 PolarHBondContact O-N 2.92Å
506	R	41.5	Very low	39.2	Very low	252 Å²	252	151.6 Å²	151.6	95%	0.951	79%	0.787	S	S	*	*			trans	-64.1	92.1	168.8	-90.5	-178.4	165.1	170.5	-4.1	110.6	R508	R506-R508 PolarHBondContact O-N 2.89Å; R506-R508 VanDerWaalsContact O-N 3.08Å
507	R	44.9	Very low	38.1	Very low	239 Å²	239	154.7 Å²	154.7	90%	0.902	79%	0.792	S	S	*	*			trans	-70.9	100.9	164.6	-85.2	-173	168.6	178	-2	109.3	V505 R509	V505-R507 HydrophobicContact CG1-CG 4.44Å; V505-R507 PolarHBondContact O-N 2.92Å; R507-R509 PolarHBondContact O-N 3.01Å
508	R	39.3	Very low	36.8	Very low	233 Å²	233	156 Å²	156	88%	0.879	80%	0.795	S	S	*	*			trans	-73	116.1	-171.3	-168.4	178.1	-173.7	179.7	1.7	111.6	R506 R510	R506-R508 PolarHBondContact O-N 2.89Å; R506-R508 VanDerWaalsContact O-N 3.08Å; R508-R510 PolarHBondContact O-N 3.22Å
509	R	35.5	Very low	36	Very low	232 Å²	232	161.7 Å²	161.7	88%	0.875	81%	0.806	S	S	*	*			trans	-37.5	118.6	167.2	-163.9	179.5	-165.6	-176.1	5.2	111	R507 T511	R507-R509 PolarHBondContact O-N 3.01Å; R509-T511 PolarHBondContact O-N 2.85Å
510	R	34.2	Very low	35.1	Very low	231 Å²	231	158.4 Å²	158.4	87%	0.872	81%	0.809	S	S	*	*			trans	-88.7	92	176.5	-85.8	-172.9	171.4	176.9	-2.2	110.6	R508	R508-R510 PolarHBondContact O-N 3.22Å
511	T	29.4	Very low	34.4	Very low	126 Å²	126	161.8 Å²	161.8	77%	0.773	81%	0.808	S	S	*	*			trans	-72.6	139.5	155.7	46	0	0	0	0	109.1	R509	R509-T511 PolarHBondContact O-N 2.85Å
512	F	30	Very low	34	Very low	193 Å²	193	165.3 Å²	165.3	85%	0.846	82%	0.82	S	S	*	*			trans	-117.9	104.1	-177.9	-139.7	-84.4	0	0	0	110.6
513	S	25.3	Very low	33.3	Very low	116 Å²	116	159.6 Å²	159.6	81%	0.811	82%	0.815	S	S	*	*			trans	-161.3	111.6	174	-82.9	0	0	0	0	113.4
514	R	32.2	Very low	33	Very low	240 Å²	240	164 Å²	164	91%	0.906	81%	0.813	S	S	*	*			trans	30.4	114.7	148.6	-62.2	173	63.5	174	0.4	121.6
515	T	26.1	Very low	32.3	Very low	136 Å²	136	169.9 Å²	169.9	83%	0.834	82%	0.822	S	S	*	*			trans	-175.8	142.7	132.6	28.6	0	0	0	0	107.4
516	L	29.2	Very low	31.5	Very low	152 Å²	152	169.4 Å²	169.4	80%	0.796	82%	0.824	S	S	*	*			cis	84.3	136.7	18	-160	146.1	0	0	0	115.7
517	L	35.7	Very low	30.8	Very low	143 Å²	143	160.9 Å²	160.9	75%	0.749	82%	0.815	S	S	*	*			trans	72.6	155.1	-171.5	-111.9	73.9	0	0	0	114.9
518	D	29.7	Very low	30	Very low	117 Å²	117	159 Å²	159	63%	0.626	82%	0.816	S	S	*	*			cis	-155.9	158.7	-5.2	-148.5	-13.1	0	0	0	108.1
519	H	32.1	Very low	29.5	Very low	178 Å²	178	155.2 Å²	155.2	82%	0.824	81%	0.814	S	S	*	*				173.1	165.2	72.2	-120.2	21.1	0	0	0	106.6
520	G	25.3	Very low	30	Very low	68 Å²	68	149.1 Å²	149.1	70%	0.701	80%	0.804	S	S	*	*			cis	-171.1	-170.3	3.7	0	0	0	0	0	111.6
521	K	28.6	Very low	29.8	Very low	197 Å²	197	146 Å²	146	86%	0.857	80%	0.799	S	S	*	*			trans	-111.7	154.8	-170.3	-79.8	-171.9	-178.4	179.8	0	114.3
522	P	36.5	Very low	29.9	Very low	132 Å²	132	146.4 Å²	146.4	86%	0.857	79%	0.792	S	S	*	*				-100.3	-165.7	89.5	-21.2	37.4	0	0	0	115.4
523	G	25.8	Very low	30.1	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	79%	0.787	S	S	*	*			cis	-167.9	-146	6.3	0	0	0	0	0	112.8
524	K	29.1	Very low	30.3	Very low	201 Å²	201	148.2 Å²	148.2	87%	0.874	79%	0.787	S	S	*	*			trans	-149.1	146.9	177.5	-89.5	-171.4	177.1	-178.4	0	114.1
525	Q	26.7	Very low	30.2	Very low	194 Å²	194	140.2 Å²	140.2	91%	0.907	78%	0.779	S	S	*	*			trans	117	154.1	161.1	-71.2	165.1	101	0	0	113.2
526	S	24.3	Very low	30.5	Very low	110 Å²	110	141 Å²	141	77%	0.769	78%	0.778	S	S	*	*			cis	164.9	77.8	-25.1	174.4	0	0	0	0	106.7
527	G	26.5	Very low	30.5	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	78%	0.784	S	S	*	*			trans	57.3	124.7	157.7	0	0	0	0	0	121.2
528	Q	28.8	Very low	30.3	Very low	199 Å²	199	138.6 Å²	138.6	93%	0.93	78%	0.777	S	S	*	*			trans	-165.4	130.4	139.1	-111	164.5	26.1	0	0	111.7
529	D	28	Very low	30.9	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	79%	0.789	S	S	*	*			trans	-88.2	174.4	151.6	-89.6	-53.7	0	0	0	108.2
530	P	45.8	Very low	31	Very low	104 Å²	104	138.1 Å²	138.1	68%	0.675	79%	0.785	S	S	*	*			cis	-137.8	-175.8	14.4	42.6	-24.3	0	0	0	116.2
531	E	30.8	Very low	31.2	Very low	165 Å²	165	142.2 Å²	142.2	77%	0.771	79%	0.791	S	S	*	*			trans	42.7	145.9	143.8	-73.5	-169	168.2	0	0	121.9
532	H	31.7	Very low	31.9	Very low	135 Å²	135	138 Å²	138	63%	0.625	78%	0.782	S	S	*	*				-162.3	-169.1	51.2	-151.2	70.4	0	0	0	113.7
533	R	32.9	Very low	32.4	Very low	194 Å²	194	137.7 Å²	137.7	73%	0.732	78%	0.778	S	S	*	*			trans	-59.1	171.3	-179.3	-58.9	179.5	168.9	107.2	-7.7	114.7
534	D	31.2	Very low	32.9	Very low	153 Å²	153	138 Å²	138	82%	0.818	78%	0.781	S	S	*	*			cis	-157.5	173.2	19.6	-143.9	-41.1	0	0	0	112.3
535	G	30.2	Very low	33.8	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	78%	0.784	S	S	*	*			trans	142.3	84	166.5	0	0	0	0	0	116.8
536	N	30.5	Very low	34.7	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	78%	0.781	S	S	*	*			trans	-81.5	126.6	179.4	163.9	75.1	0	0	0	114.5
537	M	31.1	Very low	35.8	Very low	186 Å²	186	141 Å²	141	92%	0.916	78%	0.782	S	S	*	*			trans	-156.5	118	140.4	-119.8	-176	-172.1	0	0	112.2
538	G	31.5	Very low	36.9	Very low	60 Å²	60	148.4 Å²	148.4	62%	0.619	79%	0.787	S	S	*	*			trans	-107	-176.4	157.7	0	0	0	0	0	110.9
539	P	40.9	Very low	38.5	Very low	133 Å²	133	142.5 Å²	142.5	86%	0.864	77%	0.768	S	S	*	*			cis	-113.6	170.8	16.5	40.4	-32.4	0	0	0	115.8
540	M	34.3	Very low	40.3	Very low	152 Å²	152	139.3 Å²	139.3	75%	0.749	75%	0.754	S	S	*	*			trans	-71.7	140.3	171.2	162.9	-174.3	167.6	0	0	112.1	T542	M540-T542 HydrophobicContact CE-CG2 4.22Å; M540-T542 VanDerWaalsContact CE-OG1 3.3Å; M540-T542 WeakPolarHBondContact CE-OG1 3.41Å; M540-T542 HydrophobicContact CG-CG2 3.98Å
541	D	29.8	Very low	41.6	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	75%	0.746	S	S	*	*			trans	-144.9	97.2	158.1	-142.4	-16.4	0	0	0	110.5
542	T	44.3	Very low	43.7	Very low	108 Å²	108	133.3 Å²	133.3	66%	0.663	73%	0.733	S	S	*	*			trans	-103.2	78	-169.5	51.4	0	0	0	0	112.3	M540	M540-T542 HydrophobicContact CE-CG2 4.22Å; M540-T542 VanDerWaalsContact CE-OG1 3.3Å; M540-T542 WeakPolarHBondContact CE-OG1 3.41Å; M540-T542 HydrophobicContact CG-CG2 3.98Å
543	T	45.3	Very low	46	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	73%	0.726	S	S	*	*			trans	-130.9	113.6	169.6	56.3	0	0	0	0	111
544	G	38.2	Very low	48.6	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	72%	0.72	S	S	*	*			trans	-177	-17.9	-178	0	0	0	0	0	119.4
545	L	46.6	Very low	51.2	Low	177 Å²	177	124 Å²	124	93%	0.927	71%	0.708	S	S	*	*	S	Bend	trans	-120	44.7	-168.5	-153	73	0	0	0	115.7
546	Q	46.8	Very low	53.9	Low	180 Å²	180	123.4 Å²	123.4	84%	0.841	69%	0.693	S	S	*	*	S	Bend	trans	-145.9	13.6	169.6	-132.5	-172.8	22.5	0	0	116.4
547	R	46.7	Very low	56.6	Low	209 Å²	209	121.3 Å²	121.3	79%	0.789	68%	0.679	S	S	*	*	S	Bend	trans	-97	-11.9	-172.2	-155.4	65.6	178.9	-167.9	1	116
548	W	49.1	Very low	59.5	Low	230 Å²	230	116 Å²	116	87%	0.871	66%	0.66	S	S	*	*	S	Bend	trans	-96.8	-16.1	-174.4	-76.8	19.4	0	0	0	115	T551 A552	W548-T551 PolarHBondContact O-OG1 3.18Å; W548-A552 WeakPolarHBondContact O-CB 3.16Å
549	S	63	Low	62.4	Low	74 Å²	74	116.7 Å²	116.7	52%	0.517	65%	0.652	S	S	.	*	H	α-helix	trans	-75.1	-46.9	-177.3	178.6	0	0	0	0	112.6	A552 I553	S549-A552 PolarHBondContact O-N 3.28Å; S549-I553 WeakPolarHBondContact O-CD1 3.31Å; S549-I553 VanDerWaalsContact O-CG1 3.27Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.43Å
550	T	65.3	Low	64.9	Low	88 Å²	88	113.9 Å²	113.9	54%	0.54	63%	0.629	S	S	.	*	H	α-helix	trans	-67.2	-41.8	-174.1	49.5	0	0	0	0	112.8	I553 V554	T550-I553 PolarHBondContact O-N 3.48Å; T550-V554 WeakPolarHBondContact O-CG2 3.2Å; T550-V554 PolarHBondContact O-N 2.63Å
551	T	73.9	Confident	67.6	Low	82 Å²	82	111.7 Å²	111.7	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-65.2	-42.9	176.4	46.7	0	0	0	0	112	W548 I553 V554 V555	W548-T551 PolarHBondContact O-OG1 3.18Å; T551-I553 PolarHBondContact O-N 2.87Å; T551-V554 PolarHBondContact O-N 2.91Å; T551-V555 WeakPolarHBondContact O-CG2 3.31Å; T551-V555 PolarHBondContact O-N 3Å
552	A	75.2	Confident	70.7	Confident	60 Å²	60	109.6 Å²	109.6	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-62.7	-41	176	0	0	0	0	0	112.5	W548 S549 V555 S556	W548-A552 WeakPolarHBondContact O-CB 3.16Å; S549-A552 PolarHBondContact O-N 3.28Å; A552-V555 PolarHBondContact O-N 3.09Å; A552-S556 WeakPolarHBondContact O-CB 3.38Å; A552-S556 PolarHBondContact O-N 2.82Å
553	I	80.2	Confident	73	Confident	92 Å²	92	108.8 Å²	108.8	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-65.6	-43.5	175.9	-68.4	164.9	0	0	0	111.1	S549 T550 T551 S556 M557	S549-I553 WeakPolarHBondContact O-CD1 3.31Å; S549-I553 VanDerWaalsContact O-CG1 3.27Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.43Å; T550-I553 PolarHBondContact O-N 3.48Å; T551-I553 PolarHBondContact O-N 2.87Å; I553-S556 PolarHBondContact O-N 3.46Å; I553-M557 HydrophobicContact CG2-CG 4.39Å; I553-M557 WeakPolarHBondContact O-CB 3.26Å; I553-M557 WeakPolarHBondContact O-CG 3.33Å; I553-M557 PolarHBondContact O-N 3.27Å
554	V	85.8	Confident	75.1	Confident	100 Å²	100	106.8 Å²	106.8	61%	0.606	58%	0.583	S	S	*	*	H	α-helix	trans	-64.2	-41.1	177.4	169.6	0	0	0	0	111.6	T550 T551 M557 S558	T550-V554 WeakPolarHBondContact O-CG2 3.2Å; T550-V554 PolarHBondContact O-N 2.63Å; T551-V554 PolarHBondContact O-N 2.91Å; V554-M557 PolarHBondContact O-N 2.94Å; V554-S558 VanDerWaalsContact O-CB 3.3Å; V554-S558 WeakPolarHBondContact O-CB 3.11Å; V554-S558 PolarHBondContact O-N 3.21Å
555	V	87.3	Confident	77.8	Confident	95 Å²	95	107.6 Å²	107.6	58%	0.576	57%	0.569	S	S	*	*	H	α-helix	trans	-63.6	-44.2	173.9	170.8	0	0	0	0	111	T551 A552 M557 S558 V559	T551-V555 WeakPolarHBondContact O-CG2 3.31Å; T551-V555 PolarHBondContact O-N 3Å; A552-V555 PolarHBondContact O-N 3.09Å; V555-M557 PolarHBondContact O-N 3.45Å; V555-S558 PolarHBondContact O-N 3.37Å; V555-V559 WeakPolarHBondContact O-CG2 3.32Å; V555-V559 PolarHBondContact O-N 3.33Å
556	S	85.8	Confident	80	Confident	60 Å²	60	103.6 Å²	103.6	42%	0.42	55%	0.552	S	S	.	*	H	α-helix	trans	-59.5	-47	176.1	-179.1	0	0	0	0	112.2	A552 I553 S558 V559 I560	A552-S556 WeakPolarHBondContact O-CB 3.38Å; A552-S556 PolarHBondContact O-N 2.82Å; I553-S556 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact C-N 3.34Å; S556-S558 PolarHBondContact O-N 2.95Å; S556-V559 PolarHBondContact O-N 2.8Å; S556-I560 VanDerWaalsContact O-CG1 3.31Å; S556-I560 WeakPolarHBondContact O-CG1 3.18Å; S556-I560 PolarHBondContact O-N 2.88Å
557	M	88.6	Confident	82	Confident	106 Å²	106	100 Å²	100	52%	0.522	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-35.3	177.2	-69.5	-66	149.3	0	0	112.6	I553 V554 V555 I560 L561	I553-M557 HydrophobicContact CG2-CG 4.39Å; I553-M557 WeakPolarHBondContact O-CB 3.26Å; I553-M557 WeakPolarHBondContact O-CG 3.33Å; I553-M557 PolarHBondContact O-N 3.27Å; V554-M557 PolarHBondContact O-N 2.94Å; V555-M557 PolarHBondContact O-N 3.45Å; M557-I560 HydrophobicContact CE-CD1 4.28Å; M557-I560 PolarHBondContact O-N 3Å; M557-I560 HydrophobicContact SD-CD1 4.31Å; M557-L561 WeakPolarHBondContact O-CB 3.48Å; M557-L561 PolarHBondContact O-N 3.42Å
558	S	90.3	Very high	83.7	Confident	75 Å²	75	94.7 Å²	94.7	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-42.3	173.5	-170.8	0	0	0	0	112	V554 V555 S556 L561 L562	V554-S558 VanDerWaalsContact O-CB 3.3Å; V554-S558 WeakPolarHBondContact O-CB 3.11Å; V554-S558 PolarHBondContact O-N 3.21Å; V555-S558 PolarHBondContact O-N 3.37Å; S556-S558 VanDerWaalsContact C-N 3.34Å; S556-S558 PolarHBondContact O-N 2.95Å; S558-L561 PolarHBondContact O-N 3.28Å; S558-L562 WeakPolarHBondContact O-CB 3.18Å; S558-L562 PolarHBondContact O-N 3.02Å
559	V	93.4	Very high	85.8	Confident	74 Å²	74	88.3 Å²	88.3	45%	0.448	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-40.9	174.1	170.8	0	0	0	0	111.5	V555 S556 L562 I563	V555-V559 WeakPolarHBondContact O-CG2 3.32Å; V555-V559 PolarHBondContact O-N 3.33Å; S556-V559 PolarHBondContact O-N 2.8Å; V559-L562 PolarHBondContact O-N 3.09Å; V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 VanDerWaalsContact O-CG1 3.29Å; V559-I563 WeakPolarHBondContact O-CG1 3.43Å; V559-I563 PolarHBondContact O-N 2.91Å
560	I	92.6	Very high	87	Confident	75 Å²	75	86.8 Å²	86.8	39%	0.385	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-42.7	175	-68.1	163	0	0	0	110.9	S556 M557 I563 L564	S556-I560 VanDerWaalsContact O-CG1 3.31Å; S556-I560 WeakPolarHBondContact O-CG1 3.18Å; S556-I560 PolarHBondContact O-N 2.88Å; M557-I560 HydrophobicContact CE-CD1 4.28Å; M557-I560 PolarHBondContact O-N 3Å; M557-I560 HydrophobicContact SD-CD1 4.31Å; I560-I563 PolarHBondContact O-N 3.07Å; I560-L564 HydrophobicContact CG2-CD1 4.06Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 WeakPolarHBondContact O-CG 3.48Å; I560-L564 PolarHBondContact O-N 3.39Å
561	L	91.1	Very high	87.8	Confident	106 Å²	106	88 Å²	88	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-62.2	-42	173.5	-91.5	163.7	0	0	0	112.3	M557 S558 L564 I565	M557-L561 WeakPolarHBondContact O-CB 3.48Å; M557-L561 PolarHBondContact O-N 3.42Å; S558-L561 PolarHBondContact O-N 3.28Å; L561-L564 PolarHBondContact O-N 3.02Å; L561-I565 VanDerWaalsContact O-CG1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.5Å; L561-I565 PolarHBondContact O-N 2.73Å
562	L	94.6	Very high	88.4	Confident	108 Å²	108	89.8 Å²	89.8	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-62.1	-44.3	175.9	-175	66.6	0	0	0	111.4	S558 V559 I565 V566	S558-L562 WeakPolarHBondContact O-CB 3.18Å; S558-L562 PolarHBondContact O-N 3.02Å; V559-L562 PolarHBondContact O-N 3.09Å; L562-I565 PolarHBondContact O-N 2.7Å; L562-V566 WeakPolarHBondContact O-CG2 3.24Å; L562-V566 PolarHBondContact O-N 2.83Å
563	I	93.9	Very high	89	Confident	92 Å²	92	93.2 Å²	93.2	47%	0.472	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.7	-69.2	164.6	0	0	0	110.6	V559 I560 I565 V566 L567	V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 VanDerWaalsContact O-CG1 3.29Å; V559-I563 WeakPolarHBondContact O-CG1 3.43Å; V559-I563 PolarHBondContact O-N 2.91Å; I560-I563 PolarHBondContact O-N 3.07Å; I563-I565 PolarHBondContact O-N 2.84Å; I563-V566 PolarHBondContact O-N 2.9Å; I563-L567 HydrophobicContact CG2-CD1 3.88Å; I563-L567 HydrophobicContact CG2-CG 4.37Å; I563-L567 WeakPolarHBondContact O-CB 3.36Å; I563-L567 VanDerWaalsContact O-CG 3.28Å; I563-L567 WeakPolarHBondContact O-CG 3.43Å; I563-L567 PolarHBondContact O-N 2.87Å
564	L	88.4	Confident	89	Confident	85 Å²	85	95.7 Å²	95.7	45%	0.445	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-38.1	175.3	-74.8	167.9	0	0	0	112.3	I560 L561 L567 N568	I560-L564 HydrophobicContact CG2-CD1 4.06Å; I560-L564 WeakPolarHBondContact O-CB 3.36Å; I560-L564 WeakPolarHBondContact O-CG 3.48Å; I560-L564 PolarHBondContact O-N 3.39Å; L561-L564 PolarHBondContact O-N 3.02Å; L564-L567 PolarHBondContact O-N 2.88Å; L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.75Å; L564-N568 PolarHBondContact O-ND2 2.86Å
565	I	94.4	Very high	88.6	Confident	92 Å²	92	96.8 Å²	96.8	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-65.7	-45.7	175.1	-71	162.6	0	0	0	110.4	L561 L562 I563 L567 N568 L569	L561-I565 VanDerWaalsContact O-CG1 3.26Å; L561-I565 WeakPolarHBondContact O-CG1 3.5Å; L561-I565 PolarHBondContact O-N 2.73Å; L562-I565 PolarHBondContact O-N 2.7Å; I563-I565 PolarHBondContact O-N 2.84Å; I565-L567 PolarHBondContact O-N 2.74Å; I565-N568 PolarHBondContact O-N 2.86Å; I565-L569 HydrophobicContact CG2-CD1 4.23Å; I565-L569 PolarHBondContact O-N 3.43Å
566	V	93.2	Very high	88.2	Confident	93 Å²	93	99.7 Å²	99.7	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-40.4	176.6	171.6	0	0	0	0	111.6	L562 I563 L569 G570	L562-V566 WeakPolarHBondContact O-CG2 3.24Å; L562-V566 PolarHBondContact O-N 2.83Å; I563-V566 PolarHBondContact O-N 2.9Å; V566-L569 PolarHBondContact O-N 3.25Å; V566-G570 PolarHBondContact O-N 3.36Å
567	L	88.9	Confident	87.8	Confident	103 Å²	103	99 Å²	99	54%	0.539	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-39	174.5	-73.3	170.9	0	0	0	112.3	I563 L564 I565 G570 L571	I563-L567 HydrophobicContact CG2-CD1 3.88Å; I563-L567 HydrophobicContact CG2-CG 4.37Å; I563-L567 WeakPolarHBondContact O-CB 3.36Å; I563-L567 VanDerWaalsContact O-CG 3.28Å; I563-L567 WeakPolarHBondContact O-CG 3.43Å; I563-L567 PolarHBondContact O-N 2.87Å; L564-L567 PolarHBondContact O-N 2.88Å; I565-L567 PolarHBondContact O-N 2.74Å; L567-G570 PolarHBondContact O-N 2.88Å; L567-L571 WeakPolarHBondContact O-CB 3.42Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.62Å
568	N	83.6	Confident	87	Confident	99 Å²	99	98.4 Å²	98.4	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-68.5	-37.2	174.3	-82.4	-74.3	0	0	0	112.2	L564 I565 L571 F572	L564-N568 WeakPolarHBondContact O-CB 3.34Å; L564-N568 PolarHBondContact O-N 2.75Å; L564-N568 PolarHBondContact O-ND2 2.86Å; I565-N568 PolarHBondContact O-N 2.86Å; N568-L571 PolarHBondContact O-N 3.37Å; N568-F572 WeakPolarHBondContact O-CB 3.31Å; N568-F572 PolarHBondContact O-N 3.23Å
569	L	91.8	Very high	86.4	Confident	96 Å²	96	100.6 Å²	100.6	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-62.5	-44.4	169.5	-102.4	68.4	0	0	0	111.3	I565 V566 L571 F572 F573	I565-L569 HydrophobicContact CG2-CD1 4.23Å; I565-L569 PolarHBondContact O-N 3.43Å; V566-L569 PolarHBondContact O-N 3.25Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 3.11Å; L569-F572 PolarHBondContact O-N 2.8Å; L569-F572 VanDerWaalsContact O-N 3.16Å; L569-F573 WeakPolarHBondContact O-CD2 3.44Å; L569-F573 PolarHBondContact O-N 2.91Å
570	G	88.4	Confident	85.5	Confident	42 Å²	42	100 Å²	100	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-38.2	176.1	0	0	0	0	0	113	V566 L567 K574	V566-G570 PolarHBondContact O-N 3.36Å; L567-G570 PolarHBondContact O-N 2.88Å; G570-K574 VanDerWaalsContact O-CB 3.23Å; G570-K574 WeakPolarHBondContact O-CB 3.42Å; G570-K574 PolarHBondContact O-N 3.21Å
571	L	81.9	Confident	84.5	Confident	112 Å²	112	99.6 Å²	99.6	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-41.7	171.2	-74.9	166.8	0	0	0	111.7	L567 N568 L569 K574 L575	L567-L571 WeakPolarHBondContact O-CB 3.42Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 2.62Å; N568-L571 PolarHBondContact O-N 3.37Å; L569-L571 VanDerWaalsContact C-N 3.33Å; L569-L571 PolarHBondContact O-N 3.11Å; L571-K574 PolarHBondContact O-N 3.46Å; L571-L575 WeakPolarHBondContact O-CB 3.41Å; L571-L575 PolarHBondContact O-N 3.02Å
572	F	88.3	Confident	83.4	Confident	121 Å²	121	97.3 Å²	97.3	53%	0.531	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-48.1	177.4	-176.3	-94.6	0	0	0	112.2	N568 L569 K574 L575 W576	N568-F572 WeakPolarHBondContact O-CB 3.31Å; N568-F572 PolarHBondContact O-N 3.23Å; L569-F572 PolarHBondContact O-N 2.8Å; L569-F572 VanDerWaalsContact O-N 3.16Å; F572-K574 VanDerWaalsContact C-N 3.28Å; F572-K574 PolarHBondContact O-N 3.22Å; F572-L575 WeakPolarHBondContact O-CB 3.28Å; F572-L575 PolarHBondContact O-N 3.4Å; F572-L575 VanDerWaalsContact O-N 3.09Å; F572-W576 WeakPolarHBondContact O-CB 3.22Å; F572-W576 PolarHBondContact O-N 3.27Å
573	F	86.7	Confident	82.1	Confident	131 Å²	131	97.7 Å²	97.7	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-59	-39	173	-89.4	-72.3	0	0	0	112	L569 W576 A577	L569-F573 WeakPolarHBondContact O-CD2 3.44Å; L569-F573 PolarHBondContact O-N 2.91Å; F573-W576 HydrophobicContact CD1-CE3 4.4Å; F573-A577 WeakPolarHBondContact O-CB 3.15Å; F573-A577 PolarHBondContact O-N 3.41Å
574	K	80.7	Confident	80.7	Confident	144 Å²	144	100.2 Å²	100.2	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-68.1	-36.1	174.3	-174.3	162.3	-173.9	156	0	112.5	G570 L571 F572 M578	G570-K574 VanDerWaalsContact O-CB 3.23Å; G570-K574 WeakPolarHBondContact O-CB 3.42Å; G570-K574 PolarHBondContact O-N 3.21Å; L571-K574 PolarHBondContact O-N 3.46Å; F572-K574 VanDerWaalsContact C-N 3.28Å; F572-K574 PolarHBondContact O-N 3.22Å; K574-M578 WeakPolarHBondContact O-CB 3.25Å; K574-M578 WeakPolarHBondContact O-CG 3.4Å; K574-M578 PolarHBondContact O-N 3.41Å
575	L	77.1	Confident	79.5	Confident	123 Å²	123	102.5 Å²	102.5	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-66.6	-45.3	175.1	-155.6	81.3	0	0	0	110.8	L571 F572 M578 E579	L571-L575 WeakPolarHBondContact O-CB 3.41Å; L571-L575 PolarHBondContact O-N 3.02Å; F572-L575 WeakPolarHBondContact O-CB 3.28Å; F572-L575 PolarHBondContact O-N 3.4Å; F572-L575 VanDerWaalsContact O-N 3.09Å; L575-M578 CarbonylContact O-C 3.43Å; L575-M578 WeakPolarHBondContact O-CB 3.48Å; L575-M578 PolarHBondContact O-N 3.49Å; L575-E579 WeakPolarHBondContact O-CB 3.48Å; L575-E579 PolarHBondContact O-N 3.01Å
576	W	78.1	Confident	78.3	Confident	157 Å²	157	105.3 Å²	105.3	60%	0.595	53%	0.527	S	S	*	.	H	α-helix	trans	-62.3	-43.8	177.4	-175.2	67.4	0	0	0	112.2	F572 F573 M578 E579 D580	F572-W576 WeakPolarHBondContact O-CB 3.22Å; F572-W576 PolarHBondContact O-N 3.27Å; F573-W576 HydrophobicContact CD1-CE3 4.4Å; W576-M578 VanDerWaalsContact C-N 3.34Å; W576-M578 PolarHBondContact O-N 2.76Å; W576-E579 PolarHBondContact O-N 3.47Å; W576-D580 PolarHBondContact O-N 3.04Å
577	A	78.3	Confident	76.8	Confident	46 Å²	46	103.3 Å²	103.3	38%	0.38	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-36.1	173	0	0	0	0	0	112.8	F573 V581	F573-A577 WeakPolarHBondContact O-CB 3.15Å; F573-A577 PolarHBondContact O-N 3.41Å; A577-V581 WeakPolarHBondContact O-CB 3.46Å; A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 3.29Å; A577-V581 PolarHBondContact O-N 3.34Å
578	M	71.4	Confident	75.5	Confident	92 Å²	92	102.5 Å²	102.5	45%	0.453	51%	0.512	S	S	.	.	H	α-helix	trans	-69.9	-34.8	173.5	-75.1	-67	-56	0	0	112.5	K574 L575 W576 A582	K574-M578 WeakPolarHBondContact O-CB 3.25Å; K574-M578 WeakPolarHBondContact O-CG 3.4Å; K574-M578 PolarHBondContact O-N 3.41Å; L575-M578 CarbonylContact O-C 3.43Å; L575-M578 WeakPolarHBondContact O-CB 3.48Å; L575-M578 PolarHBondContact O-N 3.49Å; W576-M578 VanDerWaalsContact C-N 3.34Å; W576-M578 PolarHBondContact O-N 2.76Å; M578-A582 WeakPolarHBondContact O-CB 3.46Å; M578-A582 PolarHBondContact O-N 3.07Å
579	E	78.9	Confident	74.4	Confident	121 Å²	121	101.7 Å²	101.7	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-45.5	175.7	-177.5	172.9	-166.1	0	0	111.3	L575 W576 A582 H583	L575-E579 WeakPolarHBondContact O-CB 3.48Å; L575-E579 PolarHBondContact O-N 3.01Å; W576-E579 PolarHBondContact O-N 3.47Å; E579-A582 PolarHBondContact O-N 3.12Å; E579-H583 WeakPolarHBondContact O-CB 3.46Å; E579-H583 PolarHBondContact O-N 3.08Å
580	D	73.8	Confident	72.8	Confident	62 Å²	62	101.8 Å²	101.8	33%	0.332	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-46.8	173.9	169	27.6	0	0	0	112	W576 A582 H583 R584	W576-D580 PolarHBondContact O-N 3.04Å; D580-A582 VanDerWaalsContact C-N 3.29Å; D580-A582 PolarHBondContact O-N 3.39Å; D580-H583 WeakPolarHBondContact O-CB 3.46Å; D580-H583 PolarHBondContact O-N 3.04Å; D580-H583 VanDerWaalsContact O-N 3.16Å; D580-R584 WeakPolarHBondContact O-CG 3.19Å; D580-R584 PolarHBondContact O-N 3.09Å; D580-R584 IonicContact OD1-CZ 3.88Å; D580-R584 IonicContact OD1-NE 2.62Å; D580-R584 PolarHBondContact OD1-NE 3.44Å; D580-R584 IonicContact OD1-NH2 3.09Å; D580-R584 IonicContact OD2-CZ 3.58Å; D580-R584 IonicContact OD2-NE 2.71Å; D580-R584 IonicContact OD2-NH2 3.47Å; D580-R584 PolarHBondContact OD2-NH2 2.93Å
581	V	72.4	Confident	70.7	Confident	66 Å²	66	104.1 Å²	104.1	40%	0.4	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.8	169.3	0	0	0	0	111.9	A577 R584 M585	A577-V581 WeakPolarHBondContact O-CB 3.46Å; A577-V581 VanDerWaalsContact O-CG2 3.27Å; A577-V581 WeakPolarHBondContact O-CG2 3.29Å; A577-V581 PolarHBondContact O-N 3.34Å; V581-R584 PolarHBondContact O-N 3Å; V581-M585 PolarHBondContact O-N 3.42Å
582	A	67.3	Low	69.2	Low	58 Å²	58	107.8 Å²	107.8	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-38.9	175	0	0	0	0	0	112.3	M578 E579 D580 M585 Y586	M578-A582 WeakPolarHBondContact O-CB 3.46Å; M578-A582 PolarHBondContact O-N 3.07Å; E579-A582 PolarHBondContact O-N 3.12Å; D580-A582 VanDerWaalsContact C-N 3.29Å; D580-A582 PolarHBondContact O-N 3.39Å; A582-M585 PolarHBondContact O-N 2.67Å; A582-Y586 VanDerWaalsContact O-CB 3.3Å; A582-Y586 WeakPolarHBondContact O-CB 3.42Å; A582-Y586 PolarHBondContact O-N 3.19Å
583	H	66.8	Low	67.4	Low	116 Å²	116	107.6 Å²	107.6	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-45.9	173.5	-122.3	79	0	0	0	111	E579 D580 Y586 L587	E579-H583 WeakPolarHBondContact O-CB 3.46Å; E579-H583 PolarHBondContact O-N 3.08Å; D580-H583 WeakPolarHBondContact O-CB 3.46Å; D580-H583 PolarHBondContact O-N 3.04Å; D580-H583 VanDerWaalsContact O-N 3.16Å; H583-Y586 PolarHBondContact O-N 2.99Å; H583-L587 WeakPolarHBondContact O-CG 3.49Å; H583-L587 PolarHBondContact O-N 3.39Å
584	R	65.3	Low	65.4	Low	146 Å²	146	108 Å²	108	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-62.1	-46.8	176.3	-71	-168.2	-101.5	166.5	-3.7	111.7	D580 V581 Y586 L587 T588	D580-R584 WeakPolarHBondContact O-CG 3.19Å; D580-R584 PolarHBondContact O-N 3.09Å; D580-R584 IonicContact OD1-CZ 3.88Å; D580-R584 IonicContact OD1-NE 2.62Å; D580-R584 PolarHBondContact OD1-NE 3.44Å; D580-R584 IonicContact OD1-NH2 3.09Å; D580-R584 IonicContact OD2-CZ 3.58Å; D580-R584 IonicContact OD2-NE 2.71Å; D580-R584 IonicContact OD2-NH2 3.47Å; D580-R584 PolarHBondContact OD2-NH2 2.93Å; V581-R584 PolarHBondContact O-N 3Å; R584-Y586 PolarHBondContact O-N 3.14Å; R584-L587 PolarHBondContact O-N 3.34Å; R584-T588 PolarHBondContact O-N 3.19Å; R584-T588 PolarHBondContact O-OG1 3.18Å
585	M	62.1	Low	63.6	Low	132 Å²	132	107 Å²	107	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-61.6	-41.9	174.4	-82	-163.9	167.4	0	0	113.2	V581 A582 L587 T588 T589	V581-M585 PolarHBondContact O-N 3.42Å; A582-M585 PolarHBondContact O-N 2.67Å; M585-L587 VanDerWaalsContact C-N 3.32Å; M585-L587 PolarHBondContact O-N 2.99Å; M585-T588 PolarHBondContact O-N 3Å; M585-T589 WeakPolarHBondContact O-CB 3.2Å; M585-T589 PolarHBondContact O-N 2.89Å; M585-T589 PolarHBondContact O-OG1 3.44Å
586	Y	70.5	Confident	62.1	Low	151 Å²	151	111.1 Å²	111.1	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-59.1	-43.7	176.1	174.2	-111.9	0	0	0	111.6	A582 H583 R584 T589 K590	A582-Y586 VanDerWaalsContact O-CB 3.3Å; A582-Y586 WeakPolarHBondContact O-CB 3.42Å; A582-Y586 PolarHBondContact O-N 3.19Å; H583-Y586 PolarHBondContact O-N 2.99Å; R584-Y586 PolarHBondContact O-N 3.14Å; Y586-T589 PolarHBondContact O-N 2.95Å; Y586-K590 VanDerWaalsContact O-CB 3.26Å; Y586-K590 WeakPolarHBondContact O-CB 3.17Å; Y586-K590 PolarHBondContact O-N 2.97Å
587	L	60.5	Low	60.2	Low	52 Å²	52	110 Å²	110	27%	0.272	52%	0.522	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175.1	-68.3	172.9	0	0	0	112.2	S46 H583 R584 M585 K590 H591	S46-L587 WeakPolarHBondContact OG-CD2 3.22Å; H583-L587 WeakPolarHBondContact O-CG 3.49Å; H583-L587 PolarHBondContact O-N 3.39Å; R584-L587 PolarHBondContact O-N 3.34Å; M585-L587 VanDerWaalsContact C-N 3.32Å; M585-L587 PolarHBondContact O-N 2.99Å; L587-K590 PolarHBondContact O-N 2.81Å; L587-H591 PolarHBondContact O-CD2 2.92Å; L587-H591 PolarHBondContact O-N 3.34Å
588	T	61.5	Low	58.4	Low	85 Å²	85	113 Å²	113	52%	0.521	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-41.8	175.6	-50.1	0	0	0	0	112.3	R584 M585 H591 R592	R584-T588 PolarHBondContact O-N 3.19Å; R584-T588 PolarHBondContact O-OG1 3.18Å; M585-T588 PolarHBondContact O-N 3Å; T588-H591 PolarHBondContact O-N 3.19Å; T588-R592 PolarHBondContact O-N 3.41Å
589	T	60.8	Low	57	Low	83 Å²	83	114.4 Å²	114.4	51%	0.509	54%	0.542	S	S	.	.	H	α-helix	trans	-66.3	-41	176	-56.5	0	0	0	0	111.4	M585 Y586 H591 R592 L593	M585-T589 WeakPolarHBondContact O-CB 3.2Å; M585-T589 PolarHBondContact O-N 2.89Å; M585-T589 PolarHBondContact O-OG1 3.44Å; Y586-T589 PolarHBondContact O-N 2.95Å; T589-H591 VanDerWaalsContact C-N 3.33Å; T589-H591 PolarHBondContact O-N 3.29Å; T589-R592 PolarHBondContact O-N 2.56Å; T589-L593 HydrophobicContact CG2-CD1 4.23Å; T589-L593 WeakPolarHBondContact O-CG 3.45Å; T589-L593 PolarHBondContact O-N 3.29Å
590	K	57.5	Low	55.4	Low	97 Å²	97	112 Å²	112	42%	0.422	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-38.7	173.8	-172.4	-179.3	177.8	-171.2	0	111.7	Y586 L587 R594	Y586-K590 VanDerWaalsContact O-CB 3.26Å; Y586-K590 WeakPolarHBondContact O-CB 3.17Å; Y586-K590 PolarHBondContact O-N 2.97Å; L587-K590 PolarHBondContact O-N 2.81Å; K590-R594 VanDerWaalsContact O-CB 3.26Å; K590-R594 WeakPolarHBondContact O-CB 3.5Å; K590-R594 PolarHBondContact O-N 3.1Å
591	H	44.8	Very low	53.6	Low	91 Å²	91	117.4 Å²	117.4	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-65	-48.2	173.3	-95.3	-86.7	0	0	0	112.6	L587 T588 T589 L593 R594 E595	L587-H591 PolarHBondContact O-CD2 2.92Å; L587-H591 PolarHBondContact O-N 3.34Å; T588-H591 PolarHBondContact O-N 3.19Å; T589-H591 VanDerWaalsContact C-N 3.33Å; T589-H591 PolarHBondContact O-N 3.29Å; H591-L593 VanDerWaalsContact C-N 3.3Å; H591-L593 PolarHBondContact O-N 3.45Å; H591-R594 CarbonylContact O-C 3.53Å; H591-R594 WeakPolarHBondContact O-CA 3.34Å; H591-R594 PolarHBondContact O-N 3.41Å; H591-E595 PolarHBondContact O-N 3.28Å
592	R	50.8	Low	51.7	Low	189 Å²	189	117.9 Å²	117.9	71%	0.713	58%	0.578	S	S	*	*	H	α-helix	trans	-61.9	-34.7	176.5	-82.9	-165.6	171.9	-146.1	-0.6	113.6	T588 T589 R594 R596	T588-R592 PolarHBondContact O-N 3.41Å; T589-R592 PolarHBondContact O-N 2.56Å; R592-R594 VanDerWaalsContact C-N 3.33Å; R592-R596 WeakPolarHBondContact O-CB 3.16Å; R592-R596 PolarHBondContact O-N 2.95Å
593	L	49.6	Very low	50.8	Low	117 Å²	117	121.2 Å²	121.2	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-69.1	-33.5	172.2	-73.7	169.7	0	0	0	111.8	T589 H591 M597	T589-L593 HydrophobicContact CG2-CD1 4.23Å; T589-L593 WeakPolarHBondContact O-CG 3.45Å; T589-L593 PolarHBondContact O-N 3.29Å; H591-L593 VanDerWaalsContact C-N 3.3Å; H591-L593 PolarHBondContact O-N 3.45Å; L593-M597 WeakPolarHBondContact O-CB 3.33Å; L593-M597 PolarHBondContact O-N 2.93Å
594	R	46.2	Very low	49.1	Very low	141 Å²	141	125.6 Å²	125.6	53%	0.532	61%	0.612	S	S	.	*	H	α-helix	trans	-75.8	-42.6	179.1	-175.4	156	-179.7	137.6	10.9	112.9	K590 H591 R592 R596 M597 E598	K590-R594 VanDerWaalsContact O-CB 3.26Å; K590-R594 WeakPolarHBondContact O-CB 3.5Å; K590-R594 PolarHBondContact O-N 3.1Å; H591-R594 CarbonylContact O-C 3.53Å; H591-R594 WeakPolarHBondContact O-CA 3.34Å; H591-R594 PolarHBondContact O-N 3.41Å; R592-R594 VanDerWaalsContact C-N 3.33Å; R594-R596 PolarHBondContact O-N 3.39Å; R594-M597 CarbonylContact O-C 3.6Å; R594-M597 WeakPolarHBondContact O-CA 3.44Å; R594-M597 PolarHBondContact O-N 2.81Å; R594-E598 HydrophobicContact CG-CG 4.08Å; R594-E598 WeakPolarHBondContact CG-OE2 3.49Å; R594-E598 IonicContact CZ-OE1 3.04Å; R594-E598 IonicContact NE-OE1 2.73Å; R594-E598 PolarHBondContact NE-OE1 2.88Å; R594-E598 IonicContact NE-OE2 3.36Å; R594-E598 IonicContact NH2-OE1 2.86Å; R594-E598 PolarHBondContact NH2-OE1 3.42Å; R594-E598 PolarHBondContact O-N 3.28Å
595	E	42.2	Very low	47.6	Very low	121 Å²	121	130.2 Å²	130.2	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-54.7	-41.8	170	-72.1	178.3	117.1	0	0	111.6	H591 M597 T599	H591-E595 PolarHBondContact O-N 3.28Å; E595-M597 PolarHBondContact O-N 3.33Å; E595-T599 WeakPolarHBondContact O-CB 3.44Å; E595-T599 WeakPolarHBondContact O-CG2 3.45Å; E595-T599 PolarHBondContact O-N 3.49Å; E595-T599 VanDerWaalsContact O-N 3.11Å; E595-T599 PolarHBondContact O-OG1 3.35Å
596	R	46.7	Very low	46.1	Very low	210 Å²	210	127.5 Å²	127.5	79%	0.792	64%	0.637	S	S	*	*	H	α-helix	trans	-72.2	-6	178	-155.8	173	-167.4	156.7	5	114.2	R592 R594	R592-R596 WeakPolarHBondContact O-CB 3.16Å; R592-R596 PolarHBondContact O-N 2.95Å; R594-R596 PolarHBondContact O-N 3.39Å
597	M	37.6	Very low	45	Very low	133 Å²	133	126.1 Å²	126.1	66%	0.655	65%	0.647	S	S	*	*	H	α-helix	trans	-113.7	-28.6	178.5	-167.8	172.9	-177.9	0	0	112.1	L593 R594 E595 S600	L593-M597 WeakPolarHBondContact O-CB 3.33Å; L593-M597 PolarHBondContact O-N 2.93Å; R594-M597 CarbonylContact O-C 3.6Å; R594-M597 WeakPolarHBondContact O-CA 3.44Å; R594-M597 PolarHBondContact O-N 2.81Å; E595-M597 PolarHBondContact O-N 3.33Å; M597-S600 PolarHBondContact O-OG 3.15Å
598	E	40.7	Very low	43.5	Very low	109 Å²	109	133.4 Å²	133.4	51%	0.509	68%	0.676	S	S	.	*	H	α-helix	trans	-81.4	-21.6	174.4	-70.3	176.2	149.4	0	0	112	R594 S600	R594-E598 HydrophobicContact CG-CG 4.08Å; R594-E598 WeakPolarHBondContact CG-OE2 3.49Å; R594-E598 IonicContact CZ-OE1 3.04Å; R594-E598 IonicContact NE-OE1 2.73Å; R594-E598 PolarHBondContact NE-OE1 2.88Å; R594-E598 IonicContact NE-OE2 3.36Å; R594-E598 IonicContact NH2-OE1 2.86Å; R594-E598 PolarHBondContact NH2-OE1 3.42Å; R594-E598 PolarHBondContact O-N 3.28Å; E598-S600 PolarHBondContact O-N 3.45Å
599	T	40.8	Very low	42.3	Very low	122 Å²	122	135.3 Å²	135.3	75%	0.748	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-5.7	169.1	42.6	0	0	0	0	114.6	E595	E595-T599 WeakPolarHBondContact O-CB 3.44Å; E595-T599 WeakPolarHBondContact O-CG2 3.45Å; E595-T599 PolarHBondContact O-N 3.49Å; E595-T599 VanDerWaalsContact O-N 3.11Å; E595-T599 PolarHBondContact O-OG1 3.35Å
600	S	44.8	Very low	41	Very low	70 Å²	70	139 Å²	139	49%	0.49	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	-5	-179	63.5	0	0	0	0	115.8	M597 E598	M597-S600 PolarHBondContact O-OG 3.15Å; E598-S600 PolarHBondContact O-N 3.45Å
601	F	37.1	Very low	40	Very low	177 Å²	177	139.8 Å²	139.8	78%	0.776	72%	0.72	S	S	*	*			trans	-138.5	98.3	-178.9	-71.7	-78.5	0	0	0	113.9
602	G	33	Very low	39.4	Very low	76 Å²	76	138 Å²	138	78%	0.784	73%	0.727	S	S	*	*			trans	-140.1	116.7	168.4	0	0	0	0	0	111.2
603	P	47.4	Very low	38.5	Very low	127 Å²	127	138.8 Å²	138.8	83%	0.825	74%	0.736	S	S	*	*			trans	-96.8	139.2	-171.9	34.7	-33.5	0	0	0	114.3
604	K	30.8	Very low	38.4	Very low	209 Å²	209	144.9 Å²	144.9	91%	0.909	75%	0.751	S	S	*	*			trans	-160.3	160.9	155.6	-111.6	161.1	-172.9	176.4	0	111.6
605	Y	34.2	Very low	38.8	Very low	242 Å²	242	141.5 Å²	141.5	95%	0.949	75%	0.746	S	S	*	*			trans	-84.8	150.5	-164.2	-71.4	-106.3	0	0	0	114.7
606	G	30.2	Very low	39.3	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	74%	0.744	S	S	*	*			trans	147	131.5	164.3	0	0	0	0	0	114.4
607	P	47.4	Very low	39.7	Very low	123 Å²	123	137.5 Å²	137.5	80%	0.799	74%	0.739	S	S	*	*			trans	-104	147.9	-170.1	37.3	-34.2	0	0	0	117.2
608	K	29.5	Very low	40.3	Very low	204 Å²	204	136.2 Å²	136.2	89%	0.887	74%	0.735	S	S	*	*			trans	71.1	155.2	168	-64.1	-179.8	176.3	178.4	0	117.8
609	P	36.4	Very low	41	Very low	126 Å²	126	137.1 Å²	137.1	82%	0.818	74%	0.741	S	S	*	*			cis	-114.1	178.6	-12.6	39.3	-27	0	0	0	113.6
610	L	33.5	Very low	42	Very low	160 Å²	160	137 Å²	137	84%	0.838	73%	0.732	S	S	*	*			trans	-92.6	142.8	-176.6	-172.7	75.5	0	0	0	112.9
611	P	36.2	Very low	43.1	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	74%	0.737	S	S	*	*				-119.1	141.8	127.5	34.8	-27.8	0	0	0	109.3
612	G	33	Very low	44.3	Very low	54 Å²	54	136.1 Å²	136.1	56%	0.557	73%	0.728	S	S	*	*				77.8	96	52.1	0	0	0	0	0	107.5
613	F	32	Very low	46.1	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.904	72%	0.718	S	S	*	*			cis	-133.5	156.5	26.4	-74.2	-110.4	0	0	0	113.2
614	R	47.3	Very low	47.5	Very low	245 Å²	245	136.1 Å²	136.1	93%	0.925	70%	0.7	S	S	*	*			trans	-92.1	123.4	143.9	-90.6	-178.2	168	172.3	-4.4	107	N616	R614-N616 PolarHBondContact O-N 2.96Å
615	T	53.6	Low	49.7	Very low	69 Å²	69	130.3 Å²	130.3	42%	0.423	68%	0.682	S	S	.	*			trans	-64.2	127	170.1	28	0	0	0	0	109.5	E617 D618	T615-E617 PolarHBondContact O-N 2.96Å; T615-D618 VanDerWaalsContact CB-OD1 3.32Å; T615-D618 WeakPolarHBondContact CB-OD1 3.23Å; T615-D618 PolarHBondContact OG1-OD1 2.98Å
616	N	52.2	Low	51.6	Low	101 Å²	101	123.3 Å²	123.3	54%	0.54	66%	0.66	S	S	.	*	H	α-helix	trans	-65.4	-27.6	175.3	-157.8	-3.5	0	0	0	110.3	R614 M619 Q620	R614-N616 PolarHBondContact O-N 2.96Å; N616-M619 PolarHBondContact O-N 3.05Å; N616-Q620 WeakPolarHBondContact O-CG 3.49Å; N616-Q620 PolarHBondContact O-N 3.38Å
617	E	56.4	Low	53.9	Low	146 Å²	146	125.6 Å²	125.6	68%	0.682	65%	0.651	S	S	*	*	H	α-helix	trans	-59.8	-46.3	177.8	-64.5	166.6	179.1	0	0	112.8	T615 M619 Q620 L621	T615-E617 PolarHBondContact O-N 2.96Å; E617-M619 VanDerWaalsContact C-N 3.25Å; E617-M619 PolarHBondContact O-N 3.39Å; E617-Q620 CarbonylContact O-C 3.44Å; E617-Q620 WeakPolarHBondContact O-CB 3.37Å; E617-Q620 PolarHBondContact O-N 2.97Å; E617-Q620 VanDerWaalsContact O-N 3.09Å; E617-L621 WeakPolarHBondContact O-CB 3.06Å; E617-L621 PolarHBondContact O-N 2.94Å
618	D	48.8	Very low	55.4	Low	106 Å²	106	124.6 Å²	124.6	57%	0.567	64%	0.639	S	S	*	*	H	α-helix	trans	-58.6	-38.5	176.2	-65.9	37.9	0	0	0	112	T615 L622	T615-D618 VanDerWaalsContact CB-OD1 3.32Å; T615-D618 WeakPolarHBondContact CB-OD1 3.23Å; T615-D618 PolarHBondContact OG1-OD1 2.98Å; D618-L622 WeakPolarHBondContact O-CB 3.29Å; D618-L622 PolarHBondContact O-N 2.62Å
619	M	57	Low	57.4	Low	128 Å²	128	117.4 Å²	117.4	63%	0.631	61%	0.614	S	S	*	*	H	α-helix	trans	-74.6	-32.1	177.9	-170.2	173.2	65	0	0	111.9	N616 E617 K623	N616-M619 PolarHBondContact O-N 3.05Å; E617-M619 VanDerWaalsContact C-N 3.25Å; E617-M619 PolarHBondContact O-N 3.39Å; M619-K623 VanDerWaalsContact O-CB 3.31Å; M619-K623 WeakPolarHBondContact O-CB 3.29Å; M619-K623 PolarHBondContact O-N 3.31Å; M619-K623 VanDerWaalsContact O-N 3.13Å
620	Q	61.2	Low	59.7	Low	121 Å²	121	115.9 Å²	115.9	57%	0.565	60%	0.598	S	S	*	*	H	α-helix	trans	-68.3	-44.5	171.3	-60.8	-113.1	0.1	0	0	110.9	N616 E617 K623 T624	N616-Q620 WeakPolarHBondContact O-CG 3.49Å; N616-Q620 PolarHBondContact O-N 3.38Å; E617-Q620 CarbonylContact O-C 3.44Å; E617-Q620 WeakPolarHBondContact O-CB 3.37Å; E617-Q620 PolarHBondContact O-N 2.97Å; E617-Q620 VanDerWaalsContact O-N 3.09Å; Q620-K623 CarbonylContact O-C 3.45Å; Q620-K623 WeakPolarHBondContact O-CA 3.08Å; Q620-K623 WeakPolarHBondContact O-CB 3.39Å; Q620-K623 PolarHBondContact O-N 3.05Å; Q620-K623 VanDerWaalsContact O-N 3.13Å; Q620-T624 PolarHBondContact O-N 3.46Å; Q620-T624 PolarHBondContact O-OG1 2.6Å
621	L	68.4	Low	62.2	Low	115 Å²	115	113.5 Å²	113.5	60%	0.602	59%	0.586	S	S	*	*	H	α-helix	trans	-63.6	-44.3	178.5	-172.3	73.4	0	0	0	111.7	E617 K623 T624 V625	E617-L621 WeakPolarHBondContact O-CB 3.06Å; E617-L621 PolarHBondContact O-N 2.94Å; L621-K623 VanDerWaalsContact C-N 3.25Å; L621-K623 PolarHBondContact O-N 3.25Å; L621-T624 PolarHBondContact O-N 2.83Å; L621-T624 PolarHBondContact O-OG1 3.48Å; L621-T624 VanDerWaalsContact O-OG1 3.05Å; L621-V625 WeakPolarHBondContact O-CB 3.46Å; L621-V625 VanDerWaalsContact O-CG2 3.28Å; L621-V625 WeakPolarHBondContact O-CG2 3.28Å; L621-V625 PolarHBondContact O-N 2.91Å
622	L	62.2	Low	64.5	Low	112 Å²	112	113.3 Å²	113.3	59%	0.586	58%	0.578	S	S	*	*	H	α-helix	trans	-62.5	-35.6	173.5	-178.9	59.7	0	0	0	111.5	D618 L626	D618-L622 WeakPolarHBondContact O-CB 3.29Å; D618-L622 PolarHBondContact O-N 2.62Å; L622-L626 HydrophobicContact CD1-CD1 4.5Å; L622-L626 HydrophobicContact CG-CD1 4.39Å; L622-L626 WeakPolarHBondContact O-CB 3.28Å; L622-L626 PolarHBondContact O-N 2.74Å
623	K	69.4	Low	66.9	Low	132 Å²	132	116.3 Å²	116.3	57%	0.574	58%	0.581	S	S	*	*	H	α-helix	trans	-70.4	-43	177.4	-173.6	-178.1	176.5	-172.8	0	112.4	M619 Q620 L621 L626 Q627	M619-K623 VanDerWaalsContact O-CB 3.31Å; M619-K623 WeakPolarHBondContact O-CB 3.29Å; M619-K623 PolarHBondContact O-N 3.31Å; M619-K623 VanDerWaalsContact O-N 3.13Å; Q620-K623 CarbonylContact O-C 3.45Å; Q620-K623 WeakPolarHBondContact O-CA 3.08Å; Q620-K623 WeakPolarHBondContact O-CB 3.39Å; Q620-K623 PolarHBondContact O-N 3.05Å; Q620-K623 VanDerWaalsContact O-N 3.13Å; L621-K623 VanDerWaalsContact C-N 3.25Å; L621-K623 PolarHBondContact O-N 3.25Å; K623-L626 PolarHBondContact O-N 3.4Å; K623-Q627 WeakPolarHBondContact O-CB 3.26Å; K623-Q627 PolarHBondContact O-N 3.04Å
624	T	76.8	Confident	69.4	Low	71 Å²	71	111.6 Å²	111.6	44%	0.436	56%	0.561	S	S	.	*	H	α-helix	trans	-65.3	-45.6	174.8	45.5	0	0	0	0	111.1	Q620 L621 L626 Q627 D628	Q620-T624 PolarHBondContact O-N 3.46Å; Q620-T624 PolarHBondContact O-OG1 2.6Å; L621-T624 PolarHBondContact O-N 2.83Å; L621-T624 PolarHBondContact O-OG1 3.48Å; L621-T624 VanDerWaalsContact O-OG1 3.05Å; T624-L626 VanDerWaalsContact C-N 3.3Å; T624-L626 PolarHBondContact O-N 3.36Å; T624-Q627 PolarHBondContact O-N 3.01Å; T624-D628 WeakPolarHBondContact O-CB 3.36Å; T624-D628 VanDerWaalsContact O-CG 3.28Å; T624-D628 PolarHBondContact O-N 3.37Å
625	V	77.6	Confident	71.1	Confident	87 Å²	87	106 Å²	106	53%	0.527	55%	0.546	S	S	.	.	H	α-helix	trans	-57.8	-40.9	175.6	170.5	0	0	0	0	112.1	L621 S629	L621-V625 WeakPolarHBondContact O-CB 3.46Å; L621-V625 VanDerWaalsContact O-CG2 3.28Å; L621-V625 WeakPolarHBondContact O-CG2 3.28Å; L621-V625 PolarHBondContact O-N 2.91Å; V625-S629 WeakPolarHBondContact O-CB 3.47Å; V625-S629 PolarHBondContact O-N 3.33Å
626	L	74.4	Confident	72.6	Confident	96 Å²	96	107.4 Å²	107.4	50%	0.503	55%	0.55	S	S	.	*	H	α-helix	trans	-63	-46.4	172.2	-97.7	159.9	0	0	0	112.1	L622 K623 T624 S629 I630	L622-L626 HydrophobicContact CD1-CD1 4.5Å; L622-L626 HydrophobicContact CG-CD1 4.39Å; L622-L626 WeakPolarHBondContact O-CB 3.28Å; L622-L626 PolarHBondContact O-N 2.74Å; K623-L626 PolarHBondContact O-N 3.4Å; T624-L626 VanDerWaalsContact C-N 3.3Å; T624-L626 PolarHBondContact O-N 3.36Å; L626-S629 PolarHBondContact O-N 3.45Å; L626-S629 PolarHBondContact O-OG 3.26Å; L626-I630 WeakPolarHBondContact O-CG1 3.39Å; L626-I630 PolarHBondContact O-N 2.93Å
627	Q	79	Confident	74.3	Confident	123 Å²	123	110.9 Å²	110.9	58%	0.575	56%	0.556	S	S	*	*	H	α-helix	trans	-69.1	-37.9	-176.2	-164.3	158.2	-25.5	0	0	112.3	K623 T624 I630 L631	K623-Q627 WeakPolarHBondContact O-CB 3.26Å; K623-Q627 PolarHBondContact O-N 3.04Å; T624-Q627 PolarHBondContact O-N 3.01Å; Q627-I630 PolarHBondContact O-N 3.38Å; Q627-L631 PolarHBondContact O-N 3Å
628	D	79.1	Confident	75.7	Confident	101 Å²	101	107.9 Å²	107.9	54%	0.54	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-39.5	171.3	-66.4	-20.7	0	0	0	111.3	T624 I630 L631 L632	T624-D628 WeakPolarHBondContact O-CB 3.36Å; T624-D628 VanDerWaalsContact O-CG 3.28Å; T624-D628 PolarHBondContact O-N 3.37Å; D628-I630 VanDerWaalsContact C-N 3.3Å; D628-I630 PolarHBondContact O-N 3.14Å; D628-L631 PolarHBondContact O-N 3.02Å; D628-L632 WeakPolarHBondContact O-CB 3.27Å; D628-L632 PolarHBondContact O-N 3.47Å
629	S	70	Confident	77.3	Confident	54 Å²	54	106.3 Å²	106.3	38%	0.378	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-33.1	176.1	79.5	0	0	0	0	113	V625 L626 L633	V625-S629 WeakPolarHBondContact O-CB 3.47Å; V625-S629 PolarHBondContact O-N 3.33Å; L626-S629 PolarHBondContact O-N 3.45Å; L626-S629 PolarHBondContact O-OG 3.26Å; S629-L633 WeakPolarHBondContact O-CG 3.4Å; S629-L633 PolarHBondContact O-N 3.01Å
630	I	86.5	Confident	78.5	Confident	94 Å²	94	105.2 Å²	105.2	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-70.8	-45.9	174.1	-67.8	163.3	0	0	0	110	L626 Q627 D628 L632 L633 E634	L626-I630 WeakPolarHBondContact O-CG1 3.39Å; L626-I630 PolarHBondContact O-N 2.93Å; Q627-I630 PolarHBondContact O-N 3.38Å; D628-I630 VanDerWaalsContact C-N 3.3Å; D628-I630 PolarHBondContact O-N 3.14Å; I630-L632 VanDerWaalsContact C-N 3.31Å; I630-L632 PolarHBondContact O-N 2.95Å; I630-L633 WeakPolarHBondContact O-CB 3.26Å; I630-L633 PolarHBondContact O-N 3.16Å; I630-L633 VanDerWaalsContact O-N 3.11Å; I630-E634 PolarHBondContact O-N 3.33Å
631	L	84.4	Confident	79.8	Confident	109 Å²	109	102.7 Å²	102.7	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-58.2	-43.3	176.7	-170.1	74.3	0	0	0	111.6	Q627 D628 L633 E634 Q635	Q627-L631 PolarHBondContact O-N 3Å; D628-L631 PolarHBondContact O-N 3.02Å; L631-L633 VanDerWaalsContact C-N 3.32Å; L631-L633 PolarHBondContact O-N 3.48Å; L631-E634 PolarHBondContact O-N 3.33Å; L631-Q635 WeakPolarHBondContact O-CB 3.42Å; L631-Q635 PolarHBondContact O-N 3.11Å
632	L	86.1	Confident	80.6	Confident	110 Å²	110	100.8 Å²	100.8	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-36.9	177	-160.1	86.7	0	0	0	112.2	D628 I630 Q635 L636	D628-L632 WeakPolarHBondContact O-CB 3.27Å; D628-L632 PolarHBondContact O-N 3.47Å; I630-L632 VanDerWaalsContact C-N 3.31Å; I630-L632 PolarHBondContact O-N 2.95Å; L632-Q635 PolarHBondContact O-N 3.01Å; L632-L636 WeakPolarHBondContact O-CB 3.45Å; L632-L636 PolarHBondContact O-N 3.22Å
633	L	81.6	Confident	81.5	Confident	116 Å²	116	99.7 Å²	99.7	61%	0.607	52%	0.521	S	S	*	.	H	α-helix	trans	-68.5	-37.7	175.2	-79.2	165.9	0	0	0	112.2	S629 I630 L631 L636 R637	S629-L633 WeakPolarHBondContact O-CG 3.4Å; S629-L633 PolarHBondContact O-N 3.01Å; I630-L633 WeakPolarHBondContact O-CB 3.26Å; I630-L633 PolarHBondContact O-N 3.16Å; I630-L633 VanDerWaalsContact O-N 3.11Å; L631-L633 VanDerWaalsContact C-N 3.32Å; L631-L633 PolarHBondContact O-N 3.48Å; L633-L636 PolarHBondContact O-N 3.26Å; L633-R637 WeakPolarHBondContact O-CB 3.46Å; L633-R637 PolarHBondContact O-N 2.99Å
634	E	85.6	Confident	82.1	Confident	107 Å²	107	100 Å²	100	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-69.7	-36.2	173	-65.7	-158.6	124.5	0	0	112.4	I630 L631 R637 T638	I630-E634 PolarHBondContact O-N 3.33Å; L631-E634 PolarHBondContact O-N 3.33Å; E634-R637 PolarHBondContact O-N 2.93Å; E634-T638 WeakPolarHBondContact O-CG2 3.28Å; E634-T638 PolarHBondContact O-N 3.07Å; E634-T638 PolarHBondContact O-OG1 3.4Å
635	Q	83.2	Confident	82.3	Confident	127 Å²	127	102.2 Å²	102.2	59%	0.593	53%	0.53	S	S	*	.	H	α-helix	trans	-66	-37.8	173.3	-164	174.5	9.2	0	0	112	L631 L632 T638 S639	L631-Q635 WeakPolarHBondContact O-CB 3.42Å; L631-Q635 PolarHBondContact O-N 3.11Å; L632-Q635 PolarHBondContact O-N 3.01Å; Q635-T638 WeakPolarHBondContact CA-OG1 3.48Å; Q635-T638 PolarHBondContact O-OG1 3.39Å; Q635-T638 VanDerWaalsContact O-OG1 3.09Å; Q635-S639 VanDerWaalsContact O-CB 3.23Å; Q635-S639 WeakPolarHBondContact O-CB 3.4Å; Q635-S639 PolarHBondContact O-N 3.47Å
636	L	84.4	Confident	82.3	Confident	100 Å²	100	102.2 Å²	102.2	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-43.3	170.6	-104.8	166.6	0	0	0	112.3	L632 L633 S639 L640	L632-L636 WeakPolarHBondContact O-CB 3.45Å; L632-L636 PolarHBondContact O-N 3.22Å; L633-L636 PolarHBondContact O-N 3.26Å; L636-S639 PolarHBondContact O-N 3.48Å; L636-L640 WeakPolarHBondContact O-CB 3.44Å; L636-L640 PolarHBondContact O-N 2.74Å
637	R	88.2	Confident	82.6	Confident	173 Å²	173	104.5 Å²	104.5	65%	0.653	53%	0.533	S	S	*	.	H	α-helix	trans	-61.5	-47	177.6	-178.8	-175.7	177.3	-157.1	-0.5	111.5	L633 E634 L640 V641	L633-R637 WeakPolarHBondContact O-CB 3.46Å; L633-R637 PolarHBondContact O-N 2.99Å; E634-R637 PolarHBondContact O-N 2.93Å; R637-L640 PolarHBondContact O-N 2.88Å; R637-V641 WeakPolarHBondContact O-CG2 3.4Å; R637-V641 PolarHBondContact O-N 3.17Å
638	T	85.3	Confident	82.4	Confident	83 Å²	83	101.2 Å²	101.2	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-42.1	178.5	45.1	0	0	0	0	111.8	E634 Q635 L640 V641 V642	E634-T638 WeakPolarHBondContact O-CG2 3.28Å; E634-T638 PolarHBondContact O-N 3.07Å; E634-T638 PolarHBondContact O-OG1 3.4Å; Q635-T638 WeakPolarHBondContact CA-OG1 3.48Å; Q635-T638 PolarHBondContact O-OG1 3.39Å; Q635-T638 VanDerWaalsContact O-OG1 3.09Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.32Å; T638-V641 PolarHBondContact O-N 3.46Å; T638-V642 WeakPolarHBondContact O-CG2 3.46Å; T638-V642 PolarHBondContact O-N 3.34Å
639	S	82.1	Confident	82	Confident	73 Å²	73	101.8 Å²	101.8	51%	0.51	53%	0.528	S	S	.	.	H	α-helix	trans	-58	-42.9	172.3	-174.8	0	0	0	0	112.4	Q635 L636 V641 V642 L643	Q635-S639 VanDerWaalsContact O-CB 3.23Å; Q635-S639 WeakPolarHBondContact O-CB 3.4Å; Q635-S639 PolarHBondContact O-N 3.47Å; L636-S639 PolarHBondContact O-N 3.48Å; S639-V641 PolarHBondContact O-N 3.36Å; S639-V642 PolarHBondContact O-N 3.09Å; S639-L643 WeakPolarHBondContact O-CB 3.27Å; S639-L643 PolarHBondContact O-N 2.9Å
640	L	82.4	Confident	81.8	Confident	106 Å²	106	101.7 Å²	101.7	56%	0.555	53%	0.53	S	S	*	.	H	α-helix	trans	-62.7	-39.7	174.1	-92.9	163.9	0	0	0	113.2	L636 R637 T638 L643 Q644	L636-L640 WeakPolarHBondContact O-CB 3.44Å; L636-L640 PolarHBondContact O-N 2.74Å; R637-L640 PolarHBondContact O-N 2.88Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.32Å; L640-L643 PolarHBondContact O-N 3.46Å; L640-Q644 WeakPolarHBondContact O-CB 3.22Å; L640-Q644 PolarHBondContact O-N 2.98Å
641	V	89.6	Confident	80.6	Confident	67 Å²	67	102.6 Å²	102.6	41%	0.406	54%	0.536	S	S	.	.	H	α-helix	trans	-66.9	-42.2	176.2	170.5	0	0	0	0	111.3	R637 T638 S639 Q644 Q645	R637-V641 WeakPolarHBondContact O-CG2 3.4Å; R637-V641 PolarHBondContact O-N 3.17Å; T638-V641 PolarHBondContact O-N 3.46Å; S639-V641 PolarHBondContact O-N 3.36Å; V641-Q644 PolarHBondContact O-N 3.35Å; V641-Q645 WeakPolarHBondContact O-CG 3.42Å; V641-Q645 PolarHBondContact O-N 2.77Å
642	V	85	Confident	79.6	Confident	75 Å²	75	103.6 Å²	103.6	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-42	174.8	171.5	0	0	0	0	110.8	T638 S639 Q644 Q645 N646	T638-V642 WeakPolarHBondContact O-CG2 3.46Å; T638-V642 PolarHBondContact O-N 3.34Å; S639-V642 PolarHBondContact O-N 3.09Å; V642-Q644 VanDerWaalsContact C-N 3.34Å; V642-Q644 PolarHBondContact O-N 3.22Å; V642-Q645 PolarHBondContact O-N 3.36Å; V642-N646 WeakPolarHBondContact O-CB 3.45Å; V642-N646 VanDerWaalsContact O-CG 3.28Å; V642-N646 PolarHBondContact O-N 2.95Å; V642-N646 PolarHBondContact O-ND2 3.41Å
643	L	80.1	Confident	78.3	Confident	89 Å²	89	103 Å²	103	47%	0.466	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.1	-167.2	74.1	0	0	0	111.5	S639 L640 N646 F647	S639-L643 WeakPolarHBondContact O-CB 3.27Å; S639-L643 PolarHBondContact O-N 2.9Å; L640-L643 PolarHBondContact O-N 3.46Å; L643-N646 PolarHBondContact O-N 2.98Å; L643-F647 HydrophobicContact CD1-CE2 4.17Å; L643-F647 HydrophobicContact CD2-CE2 4.09Å; L643-F647 HydrophobicContact CG-CD2 4.05Å; L643-F647 HydrophobicContact CG-CE2 3.77Å; L643-F647 WeakPolarHBondContact O-CD2 3.34Å; L643-F647 PolarHBondContact O-N 2.96Å
644	Q	83.8	Confident	77	Confident	140 Å²	140	100.8 Å²	100.8	65%	0.654	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-39.2	176	-174.1	178.1	-4.6	0	0	112.3	L640 V641 V642 F647 A648	L640-Q644 WeakPolarHBondContact O-CB 3.22Å; L640-Q644 PolarHBondContact O-N 2.98Å; V641-Q644 PolarHBondContact O-N 3.35Å; V642-Q644 VanDerWaalsContact C-N 3.34Å; V642-Q644 PolarHBondContact O-N 3.22Å; Q644-F647 PolarHBondContact O-N 2.91Å; Q644-A648 WeakPolarHBondContact O-CB 3.43Å; Q644-A648 PolarHBondContact O-N 3.3Å
645	Q	80.3	Confident	75.4	Confident	117 Å²	117	101 Å²	101	55%	0.547	55%	0.546	S	S	.	.	H	α-helix	trans	-66.1	-40.6	173.4	-75.7	-179.7	-30.1	0	0	112.1	V641 V642 A648 M649	V641-Q645 WeakPolarHBondContact O-CG 3.42Å; V641-Q645 PolarHBondContact O-N 2.77Å; V642-Q645 PolarHBondContact O-N 3.36Å; Q645-A648 WeakPolarHBondContact O-CB 3.33Å; Q645-A648 PolarHBondContact O-N 3.48Å; Q645-M649 PolarHBondContact O-N 2.75Å
646	N	78.3	Confident	73.6	Confident	87 Å²	87	103.3 Å²	103.3	47%	0.465	56%	0.557	S	S	.	*	H	α-helix	trans	-62.9	-42.1	175.1	-72.1	-17.7	0	0	0	111.7	V642 L643 M649 A650	V642-N646 WeakPolarHBondContact O-CB 3.45Å; V642-N646 VanDerWaalsContact O-CG 3.28Å; V642-N646 PolarHBondContact O-N 2.95Å; V642-N646 PolarHBondContact O-ND2 3.41Å; L643-N646 PolarHBondContact O-N 2.98Å; N646-M649 PolarHBondContact O-N 2.99Å; N646-A650 VanDerWaalsContact O-CB 3.31Å; N646-A650 WeakPolarHBondContact O-CB 3.49Å; N646-A650 PolarHBondContact O-N 3.39Å
647	F	79.7	Confident	71.4	Confident	143 Å²	143	110.5 Å²	110.5	63%	0.627	59%	0.588	S	S	*	*	H	α-helix	trans	-64.1	-37.9	172.2	-80.1	-60.9	0	0	0	112.7	L643 Q644 A650 N651	L643-F647 HydrophobicContact CD1-CE2 4.17Å; L643-F647 HydrophobicContact CD2-CE2 4.09Å; L643-F647 HydrophobicContact CG-CD2 4.05Å; L643-F647 HydrophobicContact CG-CE2 3.77Å; L643-F647 WeakPolarHBondContact O-CD2 3.34Å; L643-F647 PolarHBondContact O-N 2.96Å; Q644-F647 PolarHBondContact O-N 2.91Å; F647-A650 PolarHBondContact O-N 3.2Å; F647-N651 WeakPolarHBondContact O-CB 3.49Å; F647-N651 PolarHBondContact O-N 3.39Å
648	A	74	Confident	70.6	Confident	54 Å²	54	107.4 Å²	107.4	45%	0.446	59%	0.585	S	S	.	*	H	α-helix	trans	-64.1	-44.3	176	0	0	0	0	0	112.3	Q644 Q645 N651 Q652	Q644-A648 WeakPolarHBondContact O-CB 3.43Å; Q644-A648 PolarHBondContact O-N 3.3Å; Q645-A648 WeakPolarHBondContact O-CB 3.33Å; Q645-A648 PolarHBondContact O-N 3.48Å; A648-N651 PolarHBondContact O-N 2.69Å; A648-Q652 WeakPolarHBondContact O-CG 3.4Å; A648-Q652 PolarHBondContact O-N 2.89Å; A648-Q652 VanDerWaalsContact O-N 3.13Å
649	M	71.9	Confident	69.8	Low	114 Å²	114	108.7 Å²	108.7	56%	0.562	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-39.6	176.2	-68.4	-161.2	-64.6	0	0	112.3	Q645 N646 N651 Q652 T653	Q645-M649 PolarHBondContact O-N 2.75Å; N646-M649 PolarHBondContact O-N 2.99Å; M649-N651 VanDerWaalsContact C-N 3.27Å; M649-N651 PolarHBondContact O-N 3.02Å; M649-Q652 WeakPolarHBondContact O-CB 3.5Å; M649-Q652 PolarHBondContact O-N 3.26Å; M649-Q652 VanDerWaalsContact O-N 3.13Å; M649-T653 PolarHBondContact O-N 3.01Å; M649-T653 PolarHBondContact O-OG1 2.92Å
650	A	64.9	Low	69.1	Low	52 Å²	52	110.7 Å²	110.7	43%	0.43	59%	0.593	S	S	.	*	H	α-helix	trans	-59.1	-39.2	174.4	0	0	0	0	0	112.1	N646 F647 T653 A654	N646-A650 VanDerWaalsContact O-CB 3.31Å; N646-A650 WeakPolarHBondContact O-CB 3.49Å; N646-A650 PolarHBondContact O-N 3.39Å; F647-A650 PolarHBondContact O-N 3.2Å; A650-T653 WeakPolarHBondContact CA-OG1 3.24Å; A650-T653 PolarHBondContact O-N 3.21Å; A650-T653 PolarHBondContact O-OG1 3.41Å; A650-A654 WeakPolarHBondContact O-CB 3.43Å; A650-A654 PolarHBondContact O-N 3Å
651	N	62.5	Low	68.4	Low	113 Å²	113	110.9 Å²	110.9	60%	0.604	60%	0.595	S	S	*	*	H	α-helix	trans	-71.3	-29.9	177.4	-155.6	25.9	0	0	0	112.6	F647 A648 M649 A654 T655	F647-N651 WeakPolarHBondContact O-CB 3.49Å; F647-N651 PolarHBondContact O-N 3.39Å; A648-N651 PolarHBondContact O-N 2.69Å; M649-N651 VanDerWaalsContact C-N 3.27Å; M649-N651 PolarHBondContact O-N 3.02Å; N651-A654 PolarHBondContact O-N 3.31Å; N651-T655 PolarHBondContact O-N 3.32Å; N651-T655 PolarHBondContact O-OG1 3.21Å
652	Q	62.8	Low	67	Low	129 Å²	129	113.7 Å²	113.7	60%	0.603	61%	0.607	S	S	*	*	H	α-helix	trans	-69.2	-41.6	170.5	-72.9	177.1	-10.3	0	0	111.8	A648 M649 A654 T655	A648-Q652 WeakPolarHBondContact O-CG 3.4Å; A648-Q652 PolarHBondContact O-N 2.89Å; A648-Q652 VanDerWaalsContact O-N 3.13Å; M649-Q652 WeakPolarHBondContact O-CB 3.5Å; M649-Q652 PolarHBondContact O-N 3.26Å; M649-Q652 VanDerWaalsContact O-N 3.13Å; Q652-A654 VanDerWaalsContact C-N 3.26Å; Q652-A654 PolarHBondContact O-N 3.36Å; Q652-T655 PolarHBondContact O-N 3.49Å; Q652-T655 VanDerWaalsContact O-N 3.15Å; Q652-T655 PolarHBondContact O-OG1 3.02Å; Q652-T655 VanDerWaalsContact O-OG1 3.11Å
653	T	58.6	Low	65.8	Low	98 Å²	98	116.3 Å²	116.3	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-65.8	-28.5	173.5	47	0	0	0	0	113.2	M649 A650 T655	M649-T653 PolarHBondContact O-N 3.01Å; M649-T653 PolarHBondContact O-OG1 2.92Å; A650-T653 WeakPolarHBondContact CA-OG1 3.24Å; A650-T653 PolarHBondContact O-N 3.21Å; A650-T653 PolarHBondContact O-OG1 3.41Å; T653-T655 VanDerWaalsContact C-N 3.25Å; T653-T655 PolarHBondContact O-N 2.98Å
654	A	54.1	Low	64.8	Low	69 Å²	69	118.2 Å²	118.2	57%	0.57	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-4.9	174.9	0	0	0	0	0	114.2	A650 N651 Q652	A650-A654 WeakPolarHBondContact O-CB 3.43Å; A650-A654 PolarHBondContact O-N 3Å; N651-A654 PolarHBondContact O-N 3.31Å; Q652-A654 VanDerWaalsContact C-N 3.26Å; Q652-A654 PolarHBondContact O-N 3.36Å
655	T	52	Low	63.3	Low	112 Å²	112	116.5 Å²	116.5	69%	0.687	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	15.3	177.9	38.5	0	0	0	0	113.2	N651 Q652 T653	N651-T655 PolarHBondContact O-N 3.32Å; N651-T655 PolarHBondContact O-OG1 3.21Å; Q652-T655 PolarHBondContact O-N 3.49Å; Q652-T655 VanDerWaalsContact O-N 3.15Å; Q652-T655 PolarHBondContact O-OG1 3.02Å; Q652-T655 VanDerWaalsContact O-OG1 3.11Å; T653-T655 VanDerWaalsContact C-N 3.25Å; T653-T655 PolarHBondContact O-N 2.98Å
656	Q	46.5	Very low	61.9	Low	176 Å²	176	116.5 Å²	116.5	82%	0.822	63%	0.633	S	S	*	*			trans	-127.2	29.8	174.1	-66.5	-167.2	-24.3	0	0	113.2
657	Q	38	Very low	60.5	Low	251 Å²	251	119.2 Å²	119.2	100%	1.173	65%	0.648	S	S	*	*			trans	-124	0	168	-70.1	-166.1	-26.9	0	0	110.3

Retrieved 657 of 657 residues in 354.6 ms (Link to these results)

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