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FI24005p1

AlphaFold DB , UniProt , Accession X5D3H6, Species DROME (Drosophila melanogaster, Fruit fly), Gene RanBPM-RC, Length 598 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	30.1	Very low	34	Very low	246 Å²	246	153.9 Å²	153.9	100%	1.212	83%	0.83	S	S	*	*				0	153.1	0	-84.7	164	157	0	0	108.8
2	F	29.3	Very low	33.5	Very low	190 Å²	190	156.3 Å²	156.3	83%	0.833	83%	0.832	S	S	*	*			trans	-78.9	177	175.8	-72.9	-82.9	0	0	0	111.3
3	P	48.8	Very low	33.1	Very low	115 Å²	115	154 Å²	154	75%	0.747	83%	0.828	S	S	*	*			cis	-120.3	172	3.3	24.3	-1	0	0	0	113.9
4	S	32.2	Very low	32.9	Very low	81 Å²	81	151.6 Å²	151.6	57%	0.566	83%	0.829	S	S	*	*			cis	79.3	82.5	12.5	84.2	0	0	0	0	118.6
5	H	34.9	Very low	32.7	Very low	203 Å²	203	149.7 Å²	149.7	94%	0.94	83%	0.831	S	S	*	*			trans	-147.4	147.1	158	-103.9	16.7	0	0	0	113.3
6	N	32.6	Very low	33.1	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	83%	0.827	S	S	*	*			trans	-161	123.3	-178.7	-175.6	19.2	0	0	0	109
7	P	46.4	Very low	32.8	Very low	122 Å²	122	152.8 Å²	152.8	79%	0.792	83%	0.83	S	S	*	*			trans	-109.2	158.1	173.7	33.3	-22.1	0	0	0	113.6
8	R	31	Very low	32.8	Very low	233 Å²	233	152.6 Å²	152.6	88%	0.879	83%	0.834	S	S	*	*			trans	-106.9	143.6	-173.4	-62.3	173.8	164.8	173.7	-6.2	113.6
9	S	31.1	Very low	32.5	Very low	111 Å²	111	148.7 Å²	148.7	78%	0.776	83%	0.833	S	S	*	*			trans	43.4	131.8	135.8	68.5	0	0	0	0	122.6
10	S	28.1	Very low	32.4	Very low	117 Å²	117	145 Å²	145	82%	0.818	83%	0.829	S	S	*	*			trans	-159.1	131.2	131	59.3	0	0	0	0	114.4
11	T	29.6	Very low	32.2	Very low	124 Å²	124	149 Å²	149	76%	0.761	83%	0.831	S	S	*	*			trans	-35.9	147.4	168.4	50.3	0	0	0	0	120.3
12	Q	27.4	Very low	32.4	Very low	182 Å²	182	149 Å²	149	85%	0.85	82%	0.818	S	S	*	*				-177.1	118.9	127.6	-95.4	169.5	28.7	0	0	107.5
13	T	29.2	Very low	32.5	Very low	127 Å²	127	147.8 Å²	147.8	78%	0.779	81%	0.814	S	S	*	*				68.4	89.6	63.8	66.5	0	0	0	0	116.5
14	S	29.6	Very low	31.8	Very low	120 Å²	120	152 Å²	152	84%	0.839	82%	0.824	S	S	*	*			trans	-159.2	121.1	153.2	61.7	0	0	0	0	112.4
15	S	30.8	Very low	31.6	Very low	123 Å²	123	153.7 Å²	153.7	86%	0.86	84%	0.835	S	S	*	*			trans	-113.4	150.5	164.5	-57.5	0	0	0	0	109.1
16	P	38.2	Very low	31.4	Very low	118 Å²	118	150.2 Å²	150.2	77%	0.766	83%	0.828	S	S	*	*			trans	-144.5	146.3	130.2	35.3	-20.6	0	0	0	116.4
17	R	29	Very low	31.2	Very low	235 Å²	235	149 Å²	149	89%	0.887	83%	0.829	S	S	*	*			trans	50.1	104	146	-69.8	-174.8	167.2	-170.4	-4.7	120.7
18	V	32.3	Very low	30.3	Very low	149 Å²	149	147.9 Å²	147.9	90%	0.903	83%	0.83	S	S	*	*				2.5	121.6	125.3	-175.9	0	0	0	0	116.4
19	G	27.9	Very low	30.2	Very low	78 Å²	78	141.6 Å²	141.6	80%	0.804	83%	0.827	S	S	*	*			trans	-146.3	104.4	159	0	0	0	0	0	109.8
20	G	30.5	Very low	30.2	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	82%	0.824	S	S	*	*			trans	-91.4	125.8	-171.5	0	0	0	0	0	114
21	R	28.2	Very low	30.1	Very low	229 Å²	229	141 Å²	141	86%	0.864	82%	0.823	S	S	*	*			trans	-137.2	133.8	157.8	-81.6	-171.3	171.4	178.8	-2.6	110.1
22	R	34.3	Very low	30.1	Very low	248 Å²	248	142.3 Å²	142.3	94%	0.936	83%	0.826	S	S	*	*			trans	-81.9	128.8	169.6	-71.1	178	173.6	174.5	-3.3	108.8
23	H	29.4	Very low	30.1	Very low	164 Å²	164	138.1 Å²	138.1	76%	0.759	82%	0.816	S	S	*	*			trans	-133.2	138.5	156.5	-81.4	-82.8	0	0	0	108.4
24	H	34.5	Very low	30.3	Very low	204 Å²	204	138 Å²	138	94%	0.944	82%	0.818	S	S	*	*			trans	-77.4	126.8	166.7	-70.5	-53.7	0	0	0	108.6
25	S	27.5	Very low	30.7	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	82%	0.818	S	S	*	*			trans	-112.9	121	166.9	53.8	0	0	0	0	108.7
26	T	30.9	Very low	31	Very low	130 Å²	130	144 Å²	144	80%	0.798	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-61.4	155.3	166.5	36.6	0	0	0	0	110.7	A28	T26-A28 PolarHBondContact O-N 3.07Å
27	P	28.8	Very low	31.1	Very low	127 Å²	127	147.8 Å²	147.8	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.5	176.9	27.2	-33.9	0	0	0	110.1
28	A	27	Very low	32.5	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.4	139.3	172	0	0	0	0	0	110	T26 S30	T26-A28 PolarHBondContact O-N 3.07Å; A28-S30 PolarHBondContact O-N 3.13Å
29	A	30.3	Very low	34.3	Very low	100 Å²	100	137.6 Å²	137.6	83%	0.826	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.1	175.4	0	0	0	0	0	110.3	S31	A29-S31 PolarHBondContact O-N 3.47Å
30	S	30.1	Very low	37	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66	123.6	172.5	49.9	0	0	0	0	109.9	A28 N32	A28-S30 PolarHBondContact O-N 3.13Å; S30-N32 PolarHBondContact O-N 3.36Å
31	S	27.5	Very low	39.6	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	76%	0.764	S	S	*	*			trans	-66.1	101.7	175.6	53.7	0	0	0	0	110.5	A29 S33	A29-S31 PolarHBondContact O-N 3.47Å; S31-S33 PolarHBondContact O-N 3.19Å
32	N	29.1	Very low	42.3	Very low	152 Å²	152	125.4 Å²	125.4	81%	0.813	72%	0.723	S	S	*	*			trans	-65.5	98.5	169.5	-80.8	-2.6	0	0	0	109.6	S30	S30-N32 PolarHBondContact O-N 3.36Å
33	S	26.8	Very low	44.7	Very low	93 Å²	93	120.9 Å²	120.9	65%	0.65	71%	0.706	S	S	*	*			trans	-66.2	136	157.7	50.6	0	0	0	0	108.9	S31 Q35	S31-S33 PolarHBondContact O-N 3.19Å; S33-Q35 PolarHBondContact O-N 3.22Å
34	P	34.6	Very low	47.3	Very low	126 Å²	126	119.2 Å²	119.2	82%	0.818	70%	0.702	S	S	*	*			trans	-67.1	106.7	177.8	27.7	-33.4	0	0	0	109.6	H36	P34-H36 PolarHBondContact O-N 3.14Å
35	Q	36.2	Very low	49.9	Very low	177 Å²	177	110.7 Å²	110.7	83%	0.827	66%	0.664	S	S	*	*			trans	-65.6	130	165	-71.6	-178	-23.3	0	0	108.1	S33 Q37	S33-Q35 PolarHBondContact O-N 3.22Å; Q35-Q37 PolarHBondContact O-N 3.33Å
36	H	37.7	Very low	52.9	Low	190 Å²	190	105.5 Å²	105.5	88%	0.88	63%	0.626	S	S	*	*			trans	-54.9	126	165.7	-78.2	-92.8	0	0	0	108.4	P34 G38	P34-H36 PolarHBondContact O-N 3.14Å; H36-G38 PolarHBondContact O-N 3.1Å
37	Q	41.4	Very low	55.6	Low	198 Å²	198	103.1 Å²	103.1	93%	0.925	61%	0.613	S	S	*	*			trans	-71.8	77.8	172.4	-73.2	-179.1	-29.3	0	0	109.4	Q35	Q35-Q37 PolarHBondContact O-N 3.33Å
38	G	56.8	Low	58.3	Low	65 Å²	65	99.1 Å²	99.1	67%	0.67	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-61.3	138.1	162.6	0	0	0	0	0	109.2	H36 D40	H36-G38 PolarHBondContact O-N 3.1Å; G38-D40 PolarHBondContact O-N 3.11Å
39	V	71.8	Confident	61.3	Low	105 Å²	105	95.1 Å²	95.1	64%	0.636	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-62	128.5	175.3	-174.5	0	0	0	0	108.5	P41 L44	V39-P41 VanDerWaalsContact O-CD 3.32Å; V39-P41 WeakPolarHBondContact O-CD 3.36Å; V39-L44 HydrophobicContact CB-CD1 4.45Å; V39-L44 HydrophobicContact CG1-CD1 4.14Å; V39-L44 HydrophobicContact CG1-CD2 3.91Å; V39-L44 HydrophobicContact CG1-CG 3.85Å
40	D	82.9	Confident	64	Low	49 Å²	49	93.7 Å²	93.7	26%	0.262	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-59.8	117.5	179.4	-175.5	-6.7	0	0	0	110.3	G38 L42 R43 L44 R58	G38-D40 PolarHBondContact O-N 3.11Å; D40-L42 PolarHBondContact O-N 3.11Å; D40-L42 VanDerWaalsContact O-N 3.09Å; D40-L42 PolarHBondContact OD1-N 3.3Å; D40-L42 VanDerWaalsContact OD1-N 3.12Å; D40-R43 HydrophobicContact CB-CB 4.39Å; D40-R43 HydrophobicContact CB-CG 4.22Å; D40-R43 PolarHBondContact O-N 3.18Å; D40-L44 PolarHBondContact O-N 3.4Å; D40-R58 IonicContact OD1-NH1 2.7Å; D40-R58 PolarHBondContact OD1-NH1 3.46Å; D40-R58 IonicContact OD2-CZ 3.24Å; D40-R58 IonicContact OD2-NH1 2.67Å; D40-R58 PolarHBondContact OD2-NH1 2.65Å; D40-R58 IonicContact OD2-NH2 3.76Å; D40-R58 PolarHBondContact OD2-NH2 3.03Å
41	P	85.1	Confident	66.9	Low	74 Å²	74	90.6 Å²	90.6	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-56.1	-29.9	-178.7	-25.8	34.9	0	0	0	113	V39 R43 L44 L45	V39-P41 VanDerWaalsContact O-CD 3.32Å; V39-P41 WeakPolarHBondContact O-CD 3.36Å; P41-R43 VanDerWaalsContact C-N 3.33Å; P41-R43 PolarHBondContact O-N 3.34Å; P41-L44 PolarHBondContact O-N 2.83Å; P41-L45 PolarHBondContact O-N 3.03Å; P41-L45 VanDerWaalsContact O-N 3.11Å
42	L	85.1	Confident	69.9	Low	2 Å²	2	90.1 Å²	90.1	1%	0.01	50%	0.5	C	S	.	.	H	α-helix	trans	-69	-28.2	177.8	-84.9	166.7	0	0	0	113.6	D40 L45 Y46 L56 R58 F220	D40-L42 PolarHBondContact O-N 3.11Å; D40-L42 VanDerWaalsContact O-N 3.09Å; D40-L42 PolarHBondContact OD1-N 3.3Å; D40-L42 VanDerWaalsContact OD1-N 3.12Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-Y46 HydrophobicContact CD2-CD2 3.61Å; L42-Y46 HydrophobicContact CD2-CE2 3.32Å; L42-Y46 WeakPolarHBondContact O-CB 3.33Å; L42-Y46 PolarHBondContact O-N 3.44Å; L42-L56 HydrophobicContact CB-CD1 4.07Å; L42-L56 HydrophobicContact CD2-CD1 4.33Å; L42-R58 HydrophobicContact CD1-CG 3.91Å; L42-F220 WeakPolarHBondContact CD2-O 3.45Å
43	R	85	Confident	72.8	Confident	154 Å²	154	89.5 Å²	89.5	58%	0.581	49%	0.492	S	S	*	.	H	α-helix	trans	-79.1	-26.2	174.2	-70.5	-172.7	171.1	-156.5	-5.3	113.1	D40 P41 L45 P47 E51	D40-R43 HydrophobicContact CB-CB 4.39Å; D40-R43 HydrophobicContact CB-CG 4.22Å; D40-R43 PolarHBondContact O-N 3.18Å; P41-R43 VanDerWaalsContact C-N 3.33Å; P41-R43 PolarHBondContact O-N 3.34Å; R43-L45 VanDerWaalsContact C-N 3.33Å; R43-P47 WeakPolarHBondContact O-CA 3.38Å; R43-E51 IonicContact CZ-OE1 3.54Å; R43-E51 IonicContact NE-OE1 2.72Å; R43-E51 PolarHBondContact NE-OE1 3.45Å; R43-E51 IonicContact NH2-OE1 3.33Å; R43-E51 PolarHBondContact NH2-OE1 3.24Å
44	L	85.3	Confident	75.8	Confident	128 Å²	128	87.7 Å²	87.7	67%	0.67	48%	0.477	S	S	*	.	H	α-helix	trans	-71.8	-31.7	170.3	-65.2	174.5	0	0	0	111.7	V39 D40 P41	V39-L44 HydrophobicContact CB-CD1 4.45Å; V39-L44 HydrophobicContact CG1-CD1 4.14Å; V39-L44 HydrophobicContact CG1-CD2 3.91Å; V39-L44 HydrophobicContact CG1-CG 3.85Å; D40-L44 PolarHBondContact O-N 3.4Å; P41-L44 PolarHBondContact O-N 2.83Å
45	L	87.9	Confident	78.7	Confident	26 Å²	26	83.5 Å²	83.5	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-84.5	-36.7	-179.9	-160.6	68.2	0	0	0	112.9	P41 L42 R43 P47 F225 V231 M234	P41-L45 PolarHBondContact O-N 3.03Å; P41-L45 VanDerWaalsContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 3.25Å; R43-L45 VanDerWaalsContact C-N 3.33Å; L45-P47 VanDerWaalsContact C-CD 3.47Å; L45-F225 HydrophobicContact CD2-CE2 3.88Å; L45-V231 HydrophobicContact CD1-CG2 4Å; L45-M234 HydrophobicContact CD1-CE 3.94Å; L45-M234 HydrophobicContact CD1-SD 3.4Å; L45-M234 WeakPolarHBondContact CD1-SD 3.32Å; L45-M234 HydrophobicContact CD2-CE 4.42Å; L45-M234 HydrophobicContact CG-CE 3.88Å; L45-M234 HydrophobicContact CG-SD 3.8Å
46	Y	91.4	Very high	81.5	Confident	6 Å²	6	75.2 Å²	75.2	2%	0.024	41%	0.411	C	S	.	.			trans	-127.2	60.5	-176.2	-47.8	-50.9	0	0	0	112.3	L42 N48 V49 L56 C103 L105 Y106 Y107 M234	L42-Y46 HydrophobicContact CD2-CD2 3.61Å; L42-Y46 HydrophobicContact CD2-CE2 3.32Å; L42-Y46 WeakPolarHBondContact O-CB 3.33Å; L42-Y46 PolarHBondContact O-N 3.44Å; Y46-N48 PolarHBondContact O-N 3.39Å; Y46-V49 PolarHBondContact O-N 3.44Å; Y46-L56 HydrophobicContact CD2-CD1 3.92Å; Y46-L56 HydrophobicContact CD2-CD2 3.69Å; Y46-L56 HydrophobicContact CD2-CG 4.5Å; Y46-L56 HydrophobicContact CE2-CD2 4.22Å; Y46-L56 HydrophobicContact CG-CD2 4.43Å; Y46-C103 HydrophobicContact CD1-CB 3.83Å; Y46-C103 HydrophobicContact CE1-CB 4.1Å; Y46-C103 HydrophobicContact CG-CB 4.32Å; Y46-L105 WeakPolarHBondContact CE1-O 3.41Å; Y46-Y106 HydrophobicContact CD2-CD2 4.47Å; Y46-Y106 HydrophobicContact CE1-CD2 4.19Å; Y46-Y106 AromaticContact CE2-CD2 3.56Å; Y46-Y106 HydrophobicContact CE2-CD2 3.56Å; Y46-Y106 AromaticContact CE2-CE2 3.69Å; Y46-Y106 HydrophobicContact CE2-CE2 3.69Å; Y46-Y106 AromaticContact CZ-CD2 3.41Å; Y46-Y106 VanDerWaalsContact CZ-CD2 3.41Å; Y46-Y106 AromaticContact CZ-CE2 3.94Å; Y46-Y106 VanDerWaalsContact OH-CD2 3.26Å; Y46-Y106 WeakPolarHBondContact OH-CD2 3.49Å; Y46-Y107 PolarHBondContact OH-N 3.03Å; Y46-Y107 PolarHBondContact OH-O 3.36Å; Y46-M234 HydrophobicContact CD1-CE 4.32Å; Y46-M234 HydrophobicContact CE1-CE 3.65Å
47	P	87.1	Confident	84.3	Confident	79 Å²	79	66.2 Å²	66.2	51%	0.513	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.5	-170.8	25.5	-35.7	0	0	0	114.4	R43 L45	R43-P47 WeakPolarHBondContact O-CA 3.38Å; L45-P47 VanDerWaalsContact C-CD 3.47Å
48	N	85.4	Confident	86.9	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.23	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.2	-177.5	-69	19.4	0	0	0	113.5	Y46 N50 D586 A587 I589 T590	Y46-N48 PolarHBondContact O-N 3.39Å; N48-N50 PolarHBondContact O-N 3.4Å; N48-D586 PolarHBondContact ND2-O 2.73Å; N48-A587 PolarHBondContact ND2-O 3.45Å; N48-I589 PolarHBondContact ND2-O 2.98Å; N48-T590 WeakPolarHBondContact OD1-CG2 3.48Å
49	V	88.9	Confident	88.9	Confident	15 Å²	15	59.6 Å²	59.6	9%	0.091	32%	0.322	C	S	.	.			trans	-85.9	112.5	179.8	176.1	0	0	0	0	111	Y46 E51 L56 P100 S102	Y46-V49 PolarHBondContact O-N 3.44Å; V49-E51 HydrophobicContact CG1-CG 4.3Å; V49-E51 PolarHBondContact O-N 2.89Å; V49-L56 HydrophobicContact CG1-CD1 4.49Å; V49-L56 HydrophobicContact CG1-CD2 4.1Å; V49-L56 HydrophobicContact CG1-CG 4.01Å; V49-L56 HydrophobicContact CG2-CD2 4.44Å; V49-P100 HydrophobicContact CG1-CB 4.05Å; V49-P100 HydrophobicContact CG1-CG 3.87Å; V49-P100 HydrophobicContact CG2-CB 4.34Å; V49-S102 WeakPolarHBondContact CG2-O 3.44Å
50	N	88.8	Confident	90.2	Very high	70 Å²	70	54.6 Å²	54.6	37%	0.374	29%	0.292	S	S	.	.			trans	-74.7	94.6	169.1	-173	7.6	0	0	0	111.1	N48 S52 E53 T54	N48-N50 PolarHBondContact O-N 3.4Å; N50-S52 PolarHBondContact ND2-OG 3.47Å; N50-S52 PolarHBondContact O-N 2.89Å; N50-S52 VanDerWaalsContact O-N 3.15Å; N50-S52 PolarHBondContact OD1-N 3.43Å; N50-S52 PolarHBondContact OD1-OG 3.46Å; N50-E53 VanDerWaalsContact ND2-CD 3.35Å; N50-E53 WeakPolarHBondContact ND2-CG 3.29Å; N50-E53 PolarHBondContact ND2-OE1 3.26Å; N50-E53 PolarHBondContact O-N 2.91Å; N50-E53 VanDerWaalsContact O-N 3.16Å; N50-T54 PolarHBondContact O-N 3.34Å; N50-T54 PolarHBondContact O-OG1 3.09Å
51	E	90.1	Very high	90.9	Very high	36 Å²	36	52.4 Å²	52.4	17%	0.168	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.8	-179.7	-68.8	-167.5	-82.7	0	0	115.3	R43 V49 P55 L56 R58	R43-E51 IonicContact CZ-OE1 3.54Å; R43-E51 IonicContact NE-OE1 2.72Å; R43-E51 PolarHBondContact NE-OE1 3.45Å; R43-E51 IonicContact NH2-OE1 3.33Å; R43-E51 PolarHBondContact NH2-OE1 3.24Å; V49-E51 HydrophobicContact CG1-CG 4.3Å; V49-E51 PolarHBondContact O-N 2.89Å; E51-P55 WeakPolarHBondContact O-CG 3.36Å; E51-L56 HydrophobicContact CG-CD1 4.15Å; E51-L56 HydrophobicContact CG-CG 4.25Å; E51-R58 IonicContact OE1-NH2 2.61Å; E51-R58 PolarHBondContact OE1-NH2 3.21Å; E51-R58 IonicContact OE2-CZ 3.44Å; E51-R58 VanDerWaalsContact OE2-CZ 3.3Å; E51-R58 IonicContact OE2-NE 2.8Å; E51-R58 PolarHBondContact OE2-NE 2.88Å; E51-R58 IonicContact OE2-NH2 3.23Å; E51-R58 PolarHBondContact OE2-NH2 3.1Å
52	S	90.6	Very high	91.5	Very high	105 Å²	105	51.8 Å²	51.8	73%	0.734	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.1	174	70.2	0	0	0	0	113	N50	N50-S52 PolarHBondContact ND2-OG 3.47Å; N50-S52 PolarHBondContact O-N 2.89Å; N50-S52 VanDerWaalsContact O-N 3.15Å; N50-S52 PolarHBondContact OD1-N 3.43Å; N50-S52 PolarHBondContact OD1-OG 3.46Å
53	E	89.1	Confident	92.1	Very high	138 Å²	138	59.6 Å²	59.6	65%	0.645	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-44.3	174.2	-71.2	173.6	-130.8	0	0	111.7	N50	N50-E53 VanDerWaalsContact ND2-CD 3.35Å; N50-E53 WeakPolarHBondContact ND2-CG 3.29Å; N50-E53 PolarHBondContact ND2-OE1 3.26Å; N50-E53 PolarHBondContact O-N 2.91Å; N50-E53 VanDerWaalsContact O-N 3.16Å
54	T	90.5	Very high	92.7	Very high	56 Å²	56	54.4 Å²	54.4	34%	0.344	30%	0.296	S	S	.	.	S	Bend	trans	-130.6	83.5	-177.4	56	0	0	0	0	110.5	N50 P100	N50-T54 PolarHBondContact O-N 3.34Å; N50-T54 PolarHBondContact O-OG1 3.09Å; T54-P100 WeakPolarHBondContact O-CG 3.45Å
55	P	95.2	Very high	93.3	Very high	37 Å²	37	51 Å²	51	24%	0.24	28%	0.276	C	S	.	.			trans	-62	140.4	-179.2	-20.8	31.1	0	0	0	112.6	E51 Y97	E51-P55 WeakPolarHBondContact O-CG 3.36Å; P55-Y97 HydrophobicContact CB-CD1 4.08Å; P55-Y97 HydrophobicContact CB-CD2 3.84Å; P55-Y97 HydrophobicContact CB-CE1 4.14Å; P55-Y97 HydrophobicContact CB-CE2 3.9Å; P55-Y97 HydrophobicContact CB-CG 3.94Å; P55-Y97 HydrophobicContact CG-CD1 4.04Å; P55-Y97 HydrophobicContact CG-CE1 3.84Å; P55-Y97 HydrophobicContact CG-CE2 4.42Å; P55-Y97 HydrophobicContact CG-CG 4.42Å; P55-Y97 WeakPolarHBondContact O-CB 3.46Å
56	L	95.9	Very high	93.8	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.277	C	S	.	.			trans	-70.2	146.6	179.2	-75.9	165.5	0	0	0	112.3	L42 Y46 V49 E51 R58 P100 Y106	L42-L56 HydrophobicContact CB-CD1 4.07Å; L42-L56 HydrophobicContact CD2-CD1 4.33Å; Y46-L56 HydrophobicContact CD2-CD1 3.92Å; Y46-L56 HydrophobicContact CD2-CD2 3.69Å; Y46-L56 HydrophobicContact CD2-CG 4.5Å; Y46-L56 HydrophobicContact CE2-CD2 4.22Å; Y46-L56 HydrophobicContact CG-CD2 4.43Å; V49-L56 HydrophobicContact CG1-CD1 4.49Å; V49-L56 HydrophobicContact CG1-CD2 4.1Å; V49-L56 HydrophobicContact CG1-CG 4.01Å; V49-L56 HydrophobicContact CG2-CD2 4.44Å; E51-L56 HydrophobicContact CG-CD1 4.15Å; E51-L56 HydrophobicContact CG-CG 4.25Å; L56-R58 HydrophobicContact CB-CG 4.41Å; L56-R58 PolarHBondContact O-N 3.28Å; L56-R58 VanDerWaalsContact O-N 3.07Å; L56-P100 HydrophobicContact CD2-CG 4.11Å; L56-Y106 HydrophobicContact CD2-CE2 4.41Å
57	P	96.8	Very high	94.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	32%	0.317	C	S	.	.			trans	-68.1	107.6	171	-10.3	24.3	0	0	0	110	T95 I99 Y106 P205 F220	P57-T95 HydrophobicContact CB-CG2 3.69Å; P57-I99 HydrophobicContact CG-CG1 4.17Å; P57-Y106 HydrophobicContact CG-CE2 4.32Å; P57-Y106 PolarHBondContact O-OH 3.21Å; P57-P205 HydrophobicContact CB-CG 4.29Å; P57-P205 HydrophobicContact CG-CG 4.42Å; P57-F220 WeakPolarHBondContact O-CB 3.34Å
58	R	96	Very high	94.6	Very high	79 Å²	79	56.4 Å²	56.4	30%	0.298	31%	0.305	S	S	.	.			trans	-112.4	-18.4	-176.6	-69.5	175	-178.6	-100.9	9.7	114.7	D40 L42 E51 L56 F220 Q222	D40-R58 IonicContact OD1-NH1 2.7Å; D40-R58 PolarHBondContact OD1-NH1 3.46Å; D40-R58 IonicContact OD2-CZ 3.24Å; D40-R58 IonicContact OD2-NH1 2.67Å; D40-R58 PolarHBondContact OD2-NH1 2.65Å; D40-R58 IonicContact OD2-NH2 3.76Å; D40-R58 PolarHBondContact OD2-NH2 3.03Å; L42-R58 HydrophobicContact CD1-CG 3.91Å; E51-R58 IonicContact OE1-NH2 2.61Å; E51-R58 PolarHBondContact OE1-NH2 3.21Å; E51-R58 IonicContact OE2-CZ 3.44Å; E51-R58 VanDerWaalsContact OE2-CZ 3.3Å; E51-R58 IonicContact OE2-NE 2.8Å; E51-R58 PolarHBondContact OE2-NE 2.88Å; E51-R58 IonicContact OE2-NH2 3.23Å; E51-R58 PolarHBondContact OE2-NH2 3.1Å; L56-R58 HydrophobicContact CB-CG 4.41Å; L56-R58 PolarHBondContact O-N 3.28Å; L56-R58 VanDerWaalsContact O-N 3.07Å; R58-F220 WeakPolarHBondContact O-CD2 3.39Å; R58-Q222 PolarHBondContact O-NE2 2.82Å
59	C	97.9	Very high	95.2	Very high	44 Å²	44	54.4 Å²	54.4	30%	0.297	29%	0.294	S	S	.	.	S	Bend	trans	-159	168.9	173.8	65.2	0	0	0	0	112.1	N75 L76 T95	C59-N75 HydrophobicContact CB-CB 4.11Å; C59-L76 HydrophobicContact CB-CD2 4.08Å; C59-T95 WeakPolarHBondContact O-CA 3.49Å
60	W	98.8	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	138	173.5	-60.3	120	0	0	0	111.4	P62 L71 N75 L76 V78 V93 T95 P205 V207 A218 F220	W60-P62 WeakPolarHBondContact O-CD 3.4Å; W60-L71 HydrophobicContact CB-CD1 3.93Å; W60-L71 HydrophobicContact CB-CD2 3.79Å; W60-L71 HydrophobicContact CG-CD2 4.24Å; W60-N75 VanDerWaalsContact CB-O 3.25Å; W60-N75 WeakPolarHBondContact CB-O 3.03Å; W60-N75 PolarHBondContact N-O 2.88Å; W60-N75 WeakPolarHBondContact O-CB 3.48Å; W60-L76 PolarHBondContact NE1-O 2.9Å; W60-L76 VanDerWaalsContact NE1-O 3.09Å; W60-V78 HydrophobicContact CD2-CG2 4.19Å; W60-V78 HydrophobicContact CG-CG2 3.96Å; W60-V93 HydrophobicContact CB-CG2 3.78Å; W60-V93 HydrophobicContact CD2-CG1 4.24Å; W60-V93 HydrophobicContact CE3-CG1 4.26Å; W60-V93 HydrophobicContact CE3-CG2 4.3Å; W60-V93 HydrophobicContact CG-CG1 4.39Å; W60-V93 HydrophobicContact CG-CG2 4.35Å; W60-T95 HydrophobicContact CE3-CG2 4.18Å; W60-T95 HydrophobicContact CZ3-CG2 4.18Å; W60-P205 HydrophobicContact CZ3-CB 4.42Å; W60-P205 WeakPolarHBondContact CZ3-O 3.31Å; W60-V207 HydrophobicContact CH2-CB 4.25Å; W60-V207 HydrophobicContact CH2-CG2 3.64Å; W60-V207 HydrophobicContact CZ2-CB 4.3Å; W60-V207 HydrophobicContact CZ2-CG2 3.63Å; W60-A218 HydrophobicContact CZ2-CB 3.58Å; W60-A218 VanDerWaalsContact NE1-CB 3.33Å; W60-F220 HydrophobicContact CD2-CE2 4.37Å; W60-F220 HydrophobicContact CD2-CZ 4Å; W60-F220 AromaticContact CE2-CZ 3.82Å; W60-F220 HydrophobicContact CE3-CZ 4.08Å; W60-F220 HydrophobicContact CH2-CE1 4.36Å; W60-F220 AromaticContact CH2-CZ 3.79Å; W60-F220 HydrophobicContact CH2-CZ 3.79Å; W60-F220 HydrophobicContact CZ2-CE2 4.43Å; W60-F220 AromaticContact CZ2-CZ 3.74Å; W60-F220 HydrophobicContact CZ2-CZ 3.74Å; W60-F220 AromaticContact CZ3-CZ 3.96Å; W60-F220 HydrophobicContact CZ3-CZ 3.96Å
61	S	98.4	Very high	96.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.5	178.7	-175.1	0	0	0	0	110.5	H63 D64 R94	S61-H63 PolarHBondContact O-N 3.32Å; S61-H63 PolarHBondContact OG-N 3.17Å; S61-D64 VanDerWaalsContact CB-OD2 3.31Å; S61-D64 WeakPolarHBondContact CB-OD2 3.47Å; S61-D64 PolarHBondContact OG-N 3.1Å; S61-D64 PolarHBondContact OG-OD2 3.1Å; S61-R94 WeakPolarHBondContact CB-O 3.41Å; S61-R94 PolarHBondContact N-O 2.93Å
62	P	97.8	Very high	96.6	Very high	62 Å²	62	52.9 Å²	52.9	40%	0.403	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-15.6	170.1	29.5	-33.8	0	0	0	112.4	W60 K65 L71	W60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-K65 WeakPolarHBondContact O-CE 3.33Å; P62-L71 HydrophobicContact CB-CD1 4.45Å
63	H	97.2	Very high	96.9	Very high	165 Å²	165	53.7 Å²	53.7	76%	0.764	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	-45.4	-179.5	-52.3	113.2	0	0	0	112.3	S61 K65	S61-H63 PolarHBondContact O-N 3.32Å; S61-H63 PolarHBondContact OG-N 3.17Å; H63-K65 VanDerWaalsContact C-N 3.27Å; H63-K65 PolarHBondContact O-N 3.44Å
64	D	97.6	Very high	97.3	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	59.6	-176	-54	-107.3	0	0	0	112.6	S61 R94	S61-D64 VanDerWaalsContact CB-OD2 3.31Å; S61-D64 WeakPolarHBondContact CB-OD2 3.47Å; S61-D64 PolarHBondContact OG-N 3.1Å; S61-D64 PolarHBondContact OG-OD2 3.1Å; D64-R94 HydrophobicContact CB-CG 3.53Å; D64-R94 PolarHBondContact O-N 3.22Å; D64-R94 VanDerWaalsContact O-N 3.16Å; D64-R94 IonicContact OD1-CZ 3.19Å; D64-R94 VanDerWaalsContact OD1-CZ 3.31Å; D64-R94 IonicContact OD1-NE 2.79Å; D64-R94 PolarHBondContact OD1-NE 3.21Å; D64-R94 VanDerWaalsContact OD1-NE 3.08Å; D64-R94 IonicContact OD1-NH2 2.67Å; D64-R94 PolarHBondContact OD1-NH2 3.17Å
65	K	98.3	Very high	97.6	Very high	55 Å²	55	54.1 Å²	54.1	24%	0.239	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.7	-177.1	66	174.9	-161.2	70.3	0	113.1	P62 H63 I69 L71 S92 V93	P62-K65 WeakPolarHBondContact O-CE 3.33Å; H63-K65 VanDerWaalsContact C-N 3.27Å; H63-K65 PolarHBondContact O-N 3.44Å; K65-I69 HydrophobicContact CB-CB 4.49Å; K65-I69 HydrophobicContact CD-CB 4.49Å; K65-I69 HydrophobicContact CD-CG2 4.28Å; K65-I69 PolarHBondContact NZ-O 2.6Å; K65-L71 HydrophobicContact CD-CD1 4.12Å; K65-L71 HydrophobicContact CD-CG 4.21Å; K65-S92 CarbonylContact C-O 3.6Å; K65-S92 WeakPolarHBondContact CA-O 3.42Å; K65-V93 HydrophobicContact CB-CB 3.66Å; K65-V93 HydrophobicContact CB-CG2 3.66Å
66	C	98	Very high	97.8	Very high	22 Å²	22	54.1 Å²	54.1	15%	0.149	29%	0.286	C	S	.	.			trans	-65.5	155.1	166.7	-164.4	0	0	0	0	111.7	S68 I69 A91 S92 M132	C66-S68 VanDerWaalsContact C-N 3.26Å; C66-S68 PolarHBondContact O-N 2.9Å; C66-I69 HydrophobicContact CB-CG1 4.28Å; C66-I69 PolarHBondContact O-N 3.32Å; C66-A91 HydrophobicContact CB-CB 3.73Å; C66-S92 PolarHBondContact N-O 2.74Å; C66-M132 HydrophobicContact CB-CB 4.32Å; C66-M132 WeakPolarHBondContact CB-O 3.13Å
67	L	97.4	Very high	97.9	Very high	167 Å²	167	56.2 Å²	56.2	87%	0.874	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-34	171.4	-63.2	179	0	0	0	111.8	I69	L67-I69 PolarHBondContact O-N 3.01Å
68	S	98.1	Very high	98	Very high	36 Å²	36	56.1 Å²	56.1	25%	0.252	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.1	176.9	-56.8	0	0	0	0	114.3	C66 K81	C66-S68 VanDerWaalsContact C-N 3.26Å; C66-S68 PolarHBondContact O-N 2.9Å; S68-K81 PolarHBondContact O-N 3.03Å
69	I	98.6	Very high	98.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.1	172.3	-66.7	-54.3	0	0	0	110.8	K65 C66 L67 L71 V78 A91 V93 L209	K65-I69 HydrophobicContact CB-CB 4.49Å; K65-I69 HydrophobicContact CD-CB 4.49Å; K65-I69 HydrophobicContact CD-CG2 4.28Å; K65-I69 PolarHBondContact NZ-O 2.6Å; C66-I69 HydrophobicContact CB-CG1 4.28Å; C66-I69 PolarHBondContact O-N 3.32Å; L67-I69 PolarHBondContact O-N 3.01Å; I69-L71 HydrophobicContact CG2-CD2 4.01Å; I69-L71 HydrophobicContact CG2-CG 4.44Å; I69-V78 HydrophobicContact CD1-CG1 4.02Å; I69-V78 HydrophobicContact CG2-CG1 3.64Å; I69-A91 HydrophobicContact CD1-CB 3.93Å; I69-A91 WeakPolarHBondContact CD1-O 3.49Å; I69-A91 HydrophobicContact CG1-CB 3.97Å; I69-V93 HydrophobicContact CG2-CB 4.14Å; I69-V93 HydrophobicContact CG2-CG1 4.04Å; I69-L209 HydrophobicContact CD1-CB 4.37Å; I69-L209 HydrophobicContact CD1-CD1 4.16Å; I69-L209 HydrophobicContact CD1-CG 4.39Å
70	G	98.6	Very high	98.2	Very high	6 Å²	6	52.2 Å²	52.2	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.8	159.6	0	0	0	0	0	111.6	T79	G70-T79 PolarHBondContact N-O 2.75Å; G70-T79 PolarHBondContact O-N 3.35Å
71	L	98.8	Very high	98.1	Very high	34 Å²	34	59.2 Å²	59.2	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	151.4	168.7	-61.5	-179.9	0	0	0	110.2	W60 P62 K65 I69 N75 R77 V78 V93	W60-L71 HydrophobicContact CB-CD1 3.93Å; W60-L71 HydrophobicContact CB-CD2 3.79Å; W60-L71 HydrophobicContact CG-CD2 4.24Å; P62-L71 HydrophobicContact CB-CD1 4.45Å; K65-L71 HydrophobicContact CD-CD1 4.12Å; K65-L71 HydrophobicContact CD-CG 4.21Å; I69-L71 HydrophobicContact CG2-CD2 4.01Å; I69-L71 HydrophobicContact CG2-CG 4.44Å; L71-N75 HydrophobicContact CD1-CB 4.13Å; L71-R77 CarbonylContact C-O 3.6Å; L71-R77 VanDerWaalsContact CA-O 3.29Å; L71-R77 WeakPolarHBondContact CA-O 3.39Å; L71-V78 HydrophobicContact CD2-CB 4.49Å; L71-V78 HydrophobicContact CD2-CG1 4.47Å; L71-V78 HydrophobicContact CD2-CG2 4.06Å; L71-V93 HydrophobicContact CD2-CG1 4.39Å; L71-V93 HydrophobicContact CD2-CG2 4.37Å
72	S	98.4	Very high	98	Very high	49 Å²	49	60 Å²	60	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-173	170	62.5	0	0	0	0	110.2	N75 L76 R77	S72-N75 WeakPolarHBondContact O-CA 3.46Å; S72-N75 PolarHBondContact O-N 3.44Å; S72-N75 VanDerWaalsContact O-N 3.1Å; S72-L76 PolarHBondContact O-N 3.31Å; S72-R77 PolarHBondContact N-O 2.68Å; S72-R77 PolarHBondContact O-N 2.98Å; S72-R77 VanDerWaalsContact O-N 3.08Å; S72-R77 WeakPolarHBondContact OG-CB 3.33Å; S72-R77 WeakPolarHBondContact OG-CD 3.34Å; S72-R77 WeakPolarHBondContact OG-CG 3.35Å
73	Q	96.9	Very high	97.9	Very high	122 Å²	122	61.4 Å²	61.4	57%	0.57	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	64.3	-179	-53	-61.8	1.4	0	0	112.5	N75 L76 R77	Q73-N75 PolarHBondContact O-N 3.06Å; Q73-N75 VanDerWaalsContact O-N 3.13Å; Q73-L76 WeakPolarHBondContact O-CB 3.23Å; Q73-L76 PolarHBondContact O-N 3.23Å; Q73-R77 HydrophobicContact CB-CB 3.85Å; Q73-R77 HydrophobicContact CG-CB 3.8Å
74	N	97	Very high	97.7	Very high	151 Å²	151	53.8 Å²	53.8	81%	0.807	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.9	-177.3	-57.1	-20.4	0	0	0	114	L76	N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 3.17Å
75	N	98.4	Very high	97.4	Very high	51 Å²	51	60.1 Å²	60.1	27%	0.273	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	30.7	-174	-56.8	-28	0	0	0	114.5	C59 W60 L71 S72 Q73	C59-N75 HydrophobicContact CB-CB 4.11Å; W60-N75 VanDerWaalsContact CB-O 3.25Å; W60-N75 WeakPolarHBondContact CB-O 3.03Å; W60-N75 PolarHBondContact N-O 2.88Å; W60-N75 WeakPolarHBondContact O-CB 3.48Å; L71-N75 HydrophobicContact CD1-CB 4.13Å; S72-N75 WeakPolarHBondContact O-CA 3.46Å; S72-N75 PolarHBondContact O-N 3.44Å; S72-N75 VanDerWaalsContact O-N 3.1Å; Q73-N75 PolarHBondContact O-N 3.06Å; Q73-N75 VanDerWaalsContact O-N 3.13Å
76	L	98.4	Very high	97.1	Very high	37 Å²	37	63.4 Å²	63.4	19%	0.194	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-28.5	168.9	-60.3	178.6	0	0	0	112.3	C59 W60 S72 Q73 N74 A218 F220	C59-L76 HydrophobicContact CB-CD2 4.08Å; W60-L76 PolarHBondContact NE1-O 2.9Å; W60-L76 VanDerWaalsContact NE1-O 3.09Å; S72-L76 PolarHBondContact O-N 3.31Å; Q73-L76 WeakPolarHBondContact O-CB 3.23Å; Q73-L76 PolarHBondContact O-N 3.23Å; N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 3.17Å; L76-A218 PolarHBondContact O-N 3.26Å; L76-F220 HydrophobicContact CD2-CD2 3.81Å; L76-F220 HydrophobicContact CD2-CE2 4.1Å
77	R	98.8	Very high	96.4	Very high	48 Å²	48	68 Å²	68	18%	0.181	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.8	179.6	-179.9	164.9	-74.6	-146.8	1.7	111.8	L71 S72 Q73 E215 V216 D217	L71-R77 CarbonylContact C-O 3.6Å; L71-R77 VanDerWaalsContact CA-O 3.29Å; L71-R77 WeakPolarHBondContact CA-O 3.39Å; S72-R77 PolarHBondContact N-O 2.68Å; S72-R77 PolarHBondContact O-N 2.98Å; S72-R77 VanDerWaalsContact O-N 3.08Å; S72-R77 WeakPolarHBondContact OG-CB 3.33Å; S72-R77 WeakPolarHBondContact OG-CD 3.34Å; S72-R77 WeakPolarHBondContact OG-CG 3.35Å; Q73-R77 HydrophobicContact CB-CB 3.85Å; Q73-R77 HydrophobicContact CG-CB 3.8Å; R77-E215 VanDerWaalsContact CD-OE1 3.24Å; R77-E215 WeakPolarHBondContact CD-OE1 3.47Å; R77-E215 HydrophobicContact CG-CG 4.34Å; R77-E215 IonicContact CZ-OE1 3.83Å; R77-E215 IonicContact NE-OE1 2.78Å; R77-E215 IonicContact NH1-OE1 2.67Å; R77-E215 PolarHBondContact NH1-OE1 2.9Å; R77-V216 CarbonylContact C-O 3.5Å; R77-V216 WeakPolarHBondContact CA-O 3.45Å; R77-D217 VanDerWaalsContact CB-OD1 3.22Å; R77-D217 WeakPolarHBondContact CB-OD1 3.21Å; R77-D217 WeakPolarHBondContact CG-OD1 3.48Å; R77-D217 IonicContact CZ-OD1 3.91Å; R77-D217 IonicContact CZ-OD2 2.84Å; R77-D217 IonicContact NE-OD1 2.72Å; R77-D217 PolarHBondContact NE-OD1 3.21Å; R77-D217 IonicContact NE-OD2 3.08Å; R77-D217 IonicContact NH2-OD1 2.97Å; R77-D217 PolarHBondContact NH2-OD1 2.95Å; R77-D217 IonicContact NH2-OD2 2.81Å; R77-D217 PolarHBondContact NH2-OD2 3.22Å
78	V	98.9	Very high	96.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.3	177.5	-168.7	0	0	0	0	109.4	W60 I69 L71 V93 L209 E215 V216	W60-V78 HydrophobicContact CD2-CG2 4.19Å; W60-V78 HydrophobicContact CG-CG2 3.96Å; I69-V78 HydrophobicContact CD1-CG1 4.02Å; I69-V78 HydrophobicContact CG2-CG1 3.64Å; L71-V78 HydrophobicContact CD2-CB 4.49Å; L71-V78 HydrophobicContact CD2-CG1 4.47Å; L71-V78 HydrophobicContact CD2-CG2 4.06Å; V78-V93 HydrophobicContact CG1-CG1 3.73Å; V78-V93 HydrophobicContact CG2-CG1 3.9Å; V78-L209 HydrophobicContact CB-CD1 4.43Å; V78-L209 HydrophobicContact CG1-CD1 3.8Å; V78-E215 VanDerWaalsContact O-CA 3.31Å; V78-E215 WeakPolarHBondContact O-CA 3.47Å; V78-V216 HydrophobicContact CB-CG2 3.91Å; V78-V216 HydrophobicContact CG2-CG2 4.13Å; V78-V216 PolarHBondContact N-O 3.06Å; V78-V216 PolarHBondContact O-N 2.83Å
79	T	98.8	Very high	96	Very high	31 Å²	31	63.8 Å²	63.8	19%	0.19	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.9	177.2	-41.2	0	0	0	0	111.1	G70 E215	G70-T79 PolarHBondContact N-O 2.75Å; G70-T79 PolarHBondContact O-N 3.35Å; T79-E215 HydrophobicContact CG2-CB 4.37Å; T79-E215 HydrophobicContact CG2-CG 4.26Å
80	Y	98.8	Very high	95.9	Very high	9 Å²	9	63.8 Å²	63.8	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.4	175.8	-173.2	-94.1	0	0	0	112	G82 G84 D89 A91 L209 Q210 T211 P212 E214	Y80-G82 VanDerWaalsContact CE1-N 3.3Å; Y80-G82 VanDerWaalsContact CE1-O 3.3Å; Y80-G82 WeakPolarHBondContact CE1-O 3.36Å; Y80-G84 PolarHBondContact OH-N 2.69Å; Y80-D89 WeakPolarHBondContact CE2-O 3.21Å; Y80-D89 WeakPolarHBondContact OH-CB 3.5Å; Y80-D89 PolarHBondContact OH-O 3.07Å; Y80-A91 HydrophobicContact CD2-CB 4.05Å; Y80-A91 HydrophobicContact CE2-CB 3.76Å; Y80-L209 HydrophobicContact CD2-CB 3.93Å; Y80-L209 HydrophobicContact CG-CB 4.29Å; Y80-Q210 WeakPolarHBondContact CE1-O 3.36Å; Y80-Q210 PolarHBondContact OH-O 3.38Å; Y80-T211 WeakPolarHBondContact CD1-O 3.43Å; Y80-P212 HydrophobicContact CE1-CG 4.42Å; Y80-E214 PolarHBondContact N-O 3.26Å
81	K	97.7	Very high	95.9	Very high	148 Å²	148	63.5 Å²	63.5	64%	0.643	33%	0.327	S	S	*	.			trans	-121.1	3	-176.1	-65.2	-176.9	173.7	178.2	0	114.2	S68	S68-K81 PolarHBondContact O-N 3.03Å
82	G	96	Very high	95.9	Very high	20 Å²	20	61.9 Å²	61.9	21%	0.206	32%	0.319	C	S	.	.	S	Bend	trans	-80.8	-172.1	176.9	0	0	0	0	0	113.5	Y80	Y80-G82 VanDerWaalsContact CE1-N 3.3Å; Y80-G82 VanDerWaalsContact CE1-O 3.3Å; Y80-G82 WeakPolarHBondContact CE1-O 3.36Å
83	V	94.9	Very high	95.9	Very high	90 Å²	90	59.6 Å²	59.6	55%	0.545	30%	0.303	S	S	.	.			trans	-86.2	-26.8	179.9	-65.1	0	0	0	0	114	P212	V83-P212 WeakPolarHBondContact O-CG 3.22Å
84	G	93.9	Very high	96	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	28%	0.279	C	S	.	.			trans	48.2	66.1	179.6	0	0	0	0	0	114.4	Y80 R117 Q210	Y80-G84 PolarHBondContact OH-N 2.69Å; G84-R117 PolarHBondContact O-NH1 2.96Å; G84-Q210 WeakPolarHBondContact CA-O 3.37Å
85	K	90.9	Very high	96.1	Very high	179 Å²	179	47.5 Å²	47.5	78%	0.778	24%	0.24	S	C	*	.	S	Bend	trans	-114.6	-23.5	174.6	-67	-172.8	178.4	-177.3	0	113.1	D89	K85-D89 WeakPolarHBondContact CA-OD2 3.35Å; K85-D89 PolarHBondContact N-OD2 2.86Å
86	Q	91.4	Very high	96	Very high	125 Å²	125	47 Å²	47	58%	0.584	24%	0.244	S	C	*	.	S	Bend	trans	-136.8	161.5	-176.8	-61.1	-177.3	7.1	0	0	111	S88 D89 Q210	Q86-S88 WeakPolarHBondContact CB-OG 3.32Å; Q86-S88 PolarHBondContact O-N 2.76Å; Q86-S88 PolarHBondContact OE1-OG 3.48Å; Q86-D89 PolarHBondContact N-OD2 3.32Å; Q86-D89 VanDerWaalsContact O-CB 3.31Å; Q86-D89 WeakPolarHBondContact O-CB 3.46Å; Q86-D89 PolarHBondContact O-N 2.81Å; Q86-Q210 PolarHBondContact O-NE2 3Å
87	H	84.6	Confident	95.9	Very high	119 Å²	119	50.7 Å²	50.7	55%	0.551	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-67	-15.9	174	-59.4	-70.5	0	0	0	113.7	D89 A90 W138 Q210	H87-D89 VanDerWaalsContact C-N 3.28Å; H87-A90 WeakPolarHBondContact O-CB 3.34Å; H87-W138 HydrophobicContact CB-CH2 4.2Å; H87-W138 HydrophobicContact CB-CZ3 4.39Å; H87-Q210 PolarHBondContact ND1-NE2 2.83Å; H87-Q210 PolarHBondContact ND1-OE1 3.27Å
88	S	89.9	Confident	95.8	Very high	72 Å²	72	50 Å²	50	50%	0.503	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-71.9	-17.1	168.6	39.6	0	0	0	0	113.5	Q86 A90	Q86-S88 WeakPolarHBondContact CB-OG 3.32Å; Q86-S88 PolarHBondContact O-N 2.76Å; Q86-S88 PolarHBondContact OE1-OG 3.48Å; S88-A90 VanDerWaalsContact C-N 3.26Å
89	D	95.6	Very high	95.7	Very high	42 Å²	42	50.3 Å²	50.3	23%	0.225	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-83.9	1.8	175.4	-60.3	-48.1	0	0	0	113	Y80 K85 Q86 H87	Y80-D89 WeakPolarHBondContact CE2-O 3.21Å; Y80-D89 WeakPolarHBondContact OH-CB 3.5Å; Y80-D89 PolarHBondContact OH-O 3.07Å; K85-D89 WeakPolarHBondContact CA-OD2 3.35Å; K85-D89 PolarHBondContact N-OD2 2.86Å; Q86-D89 PolarHBondContact N-OD2 3.32Å; Q86-D89 VanDerWaalsContact O-CB 3.31Å; Q86-D89 WeakPolarHBondContact O-CB 3.46Å; Q86-D89 PolarHBondContact O-N 2.81Å; H87-D89 VanDerWaalsContact C-N 3.28Å
90	A	97.6	Very high	95.4	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.252	C	S	.	.			trans	-61.5	142.9	177.9	0	0	0	0	0	111.5	H87 S88 N133 L135 W138 Q210	H87-A90 WeakPolarHBondContact O-CB 3.34Å; S88-A90 VanDerWaalsContact C-N 3.26Å; A90-N133 CarbonylContact O-C 3.14Å; A90-N133 WeakPolarHBondContact O-CA 3.26Å; A90-L135 HydrophobicContact CB-CD2 4.13Å; A90-L135 HydrophobicContact CB-CG 4.08Å; A90-W138 HydrophobicContact CB-CZ3 4.07Å; A90-Q210 HydrophobicContact CB-CB 4.42Å; A90-Q210 HydrophobicContact CB-CG 4.04Å
91	A	98.5	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	123.6	-169.1	0	0	0	0	0	110.9	C66 I69 Y80 M132 G208 L209	C66-A91 HydrophobicContact CB-CB 3.73Å; I69-A91 HydrophobicContact CD1-CB 3.93Å; I69-A91 WeakPolarHBondContact CD1-O 3.49Å; I69-A91 HydrophobicContact CG1-CB 3.97Å; Y80-A91 HydrophobicContact CD2-CB 4.05Å; Y80-A91 HydrophobicContact CE2-CB 3.76Å; A91-M132 CarbonylContact C-O 3.57Å; A91-M132 WeakPolarHBondContact CA-O 3.27Å; A91-G208 CarbonylContact O-C 3.57Å; A91-G208 WeakPolarHBondContact O-CA 3.34Å; A91-L209 PolarHBondContact N-O 3.27Å; A91-L209 PolarHBondContact O-N 2.94Å; A91-L209 VanDerWaalsContact O-O 3.12Å
92	S	98.8	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	161.3	-179.5	-72.8	0	0	0	0	113.6	K65 C66 M132 R134 V207 G208	K65-S92 CarbonylContact C-O 3.6Å; K65-S92 WeakPolarHBondContact CA-O 3.42Å; C66-S92 PolarHBondContact N-O 2.74Å; S92-M132 PolarHBondContact N-O 3.47Å; S92-R134 WeakPolarHBondContact CB-O 3.45Å; S92-R134 PolarHBondContact OG-O 3.16Å; S92-V207 CarbonylContact C-O 3.59Å; S92-V207 WeakPolarHBondContact CA-O 3.4Å; S92-V207 WeakPolarHBondContact CB-O 3.12Å; S92-G208 WeakPolarHBondContact OG-CA 3.37Å
93	V	98.9	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.7	166.4	54.8	0	0	0	0	109.4	W60 K65 I69 L71 V78 T206 V207	W60-V93 HydrophobicContact CB-CG2 3.78Å; W60-V93 HydrophobicContact CD2-CG1 4.24Å; W60-V93 HydrophobicContact CE3-CG1 4.26Å; W60-V93 HydrophobicContact CE3-CG2 4.3Å; W60-V93 HydrophobicContact CG-CG1 4.39Å; W60-V93 HydrophobicContact CG-CG2 4.35Å; K65-V93 HydrophobicContact CB-CB 3.66Å; K65-V93 HydrophobicContact CB-CG2 3.66Å; I69-V93 HydrophobicContact CG2-CB 4.14Å; I69-V93 HydrophobicContact CG2-CG1 4.04Å; L71-V93 HydrophobicContact CD2-CG1 4.39Å; L71-V93 HydrophobicContact CD2-CG2 4.37Å; V78-V93 HydrophobicContact CG1-CG1 3.73Å; V78-V93 HydrophobicContact CG2-CG1 3.9Å; V93-T206 WeakPolarHBondContact O-CA 3.47Å; V93-T206 VanDerWaalsContact O-CG2 3.27Å; V93-T206 WeakPolarHBondContact O-CG2 3.4Å; V93-V207 PolarHBondContact N-O 2.83Å; V93-V207 PolarHBondContact O-N 3.37Å
94	R	98.6	Very high	94.3	Very high	19 Å²	19	38.7 Å²	38.7	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	170.5	170.3	65.7	166.8	172.8	-126.6	-1.4	112.3	S61 D64 A127 Q128 M132 P205 T206	S61-R94 WeakPolarHBondContact CB-O 3.41Å; S61-R94 PolarHBondContact N-O 2.93Å; D64-R94 HydrophobicContact CB-CG 3.53Å; D64-R94 PolarHBondContact O-N 3.22Å; D64-R94 VanDerWaalsContact O-N 3.16Å; D64-R94 IonicContact OD1-CZ 3.19Å; D64-R94 VanDerWaalsContact OD1-CZ 3.31Å; D64-R94 IonicContact OD1-NE 2.79Å; D64-R94 PolarHBondContact OD1-NE 3.21Å; D64-R94 VanDerWaalsContact OD1-NE 3.08Å; D64-R94 IonicContact OD1-NH2 2.67Å; D64-R94 PolarHBondContact OD1-NH2 3.17Å; R94-A127 PolarHBondContact NH1-O 3.3Å; R94-Q128 VanDerWaalsContact NH1-C 3.29Å; R94-Q128 PolarHBondContact NH1-O 2.85Å; R94-Q128 PolarHBondContact NH2-O 3.02Å; R94-Q128 VanDerWaalsContact NH2-O 3.11Å; R94-M132 HydrophobicContact CB-CE 4.19Å; R94-M132 HydrophobicContact CG-CE 3.61Å; R94-P205 VanDerWaalsContact CA-O 3.24Å; R94-P205 WeakPolarHBondContact CA-O 3.3Å; R94-P205 WeakPolarHBondContact CB-O 3.49Å; R94-T206 HydrophobicContact CB-CG2 4.29Å
95	T	98.6	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.1	168.5	51.6	0	0	0	0	112	P57 C59 W60 Y97 Y204 P205 F220	P57-T95 HydrophobicContact CB-CG2 3.69Å; C59-T95 WeakPolarHBondContact O-CA 3.49Å; W60-T95 HydrophobicContact CE3-CG2 4.18Å; W60-T95 HydrophobicContact CZ3-CG2 4.18Å; T95-Y97 VanDerWaalsContact C-N 3.33Å; T95-Y97 PolarHBondContact OG1-O 3.15Å; T95-Y204 WeakPolarHBondContact O-CD1 3.46Å; T95-P205 HydrophobicContact CG2-CB 3.85Å; T95-P205 HydrophobicContact CG2-CG 4.17Å; T95-P205 PolarHBondContact N-O 3.49Å; T95-P205 VanDerWaalsContact N-O 3.11Å; T95-P205 WeakPolarHBondContact OG1-CD 3.48Å; T95-F220 HydrophobicContact CG2-CD1 4.47Å; T95-F220 HydrophobicContact CG2-CE1 3.59Å; T95-F220 HydrophobicContact CG2-CE2 4.39Å; T95-F220 HydrophobicContact CG2-CZ 3.54Å
96	A	95.5	Very high	94.6	Very high	41 Å²	41	29.9 Å²	29.9	34%	0.339	16%	0.16	S	C	.	.	S	Bend	trans	-69.4	-30	176.9	0	0	0	0	0	113.3
97	Y	97	Very high	94.9	Very high	115 Å²	115	24 Å²	24	45%	0.451	13%	0.132	S	C	.	.	S	Bend	trans	-118.8	148.4	-178.9	-57.3	-72.8	0	0	0	111	P55 T95 Y204	P55-Y97 HydrophobicContact CB-CD1 4.08Å; P55-Y97 HydrophobicContact CB-CD2 3.84Å; P55-Y97 HydrophobicContact CB-CE1 4.14Å; P55-Y97 HydrophobicContact CB-CE2 3.9Å; P55-Y97 HydrophobicContact CB-CG 3.94Å; P55-Y97 HydrophobicContact CG-CD1 4.04Å; P55-Y97 HydrophobicContact CG-CE1 3.84Å; P55-Y97 HydrophobicContact CG-CE2 4.42Å; P55-Y97 HydrophobicContact CG-CG 4.42Å; P55-Y97 WeakPolarHBondContact O-CB 3.46Å; T95-Y97 VanDerWaalsContact C-N 3.33Å; T95-Y97 PolarHBondContact OG1-O 3.15Å; Y97-Y204 VanDerWaalsContact C-CE1 3.4Å; Y97-Y204 VanDerWaalsContact O-CD1 3.3Å; Y97-Y204 WeakPolarHBondContact O-CD1 3.27Å
98	P	97.1	Very high	95.6	Very high	34 Å²	34	18.3 Å²	18.3	22%	0.221	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-71.6	167.6	168.5	33.3	-34.1	0	0	0	109.9	P100 K202 L203 Y204	P98-P100 WeakPolarHBondContact O-CD 3.49Å; P98-K202 HydrophobicContact CB-CB 4.31Å; P98-L203 WeakPolarHBondContact CA-O 3.39Å; P98-Y204 HydrophobicContact CB-CD1 4.3Å; P98-Y204 HydrophobicContact CB-CD2 3.95Å; P98-Y204 HydrophobicContact CB-CE1 4.17Å; P98-Y204 HydrophobicContact CB-CE2 3.77Å; P98-Y204 HydrophobicContact CB-CG 4.2Å; P98-Y204 HydrophobicContact CG-CE1 4.41Å; P98-Y204 HydrophobicContact CG-CE2 4.39Å; P98-Y204 VanDerWaalsContact N-CE1 3.27Å
99	I	96.3	Very high	96	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-71.6	127.1	171.8	-56.3	162	0	0	0	109	P57 Y106 L125 V176 F178 L203 P205	P57-I99 HydrophobicContact CG-CG1 4.17Å; I99-Y106 HydrophobicContact CB-CG 4.42Å; I99-Y106 HydrophobicContact CD1-CD1 3.5Å; I99-Y106 HydrophobicContact CD1-CE1 3.93Å; I99-Y106 HydrophobicContact CD1-CG 4.15Å; I99-Y106 HydrophobicContact CG1-CD1 3.7Å; I99-Y106 HydrophobicContact CG1-CE1 3.84Å; I99-Y106 HydrophobicContact CG1-CG 4.09Å; I99-Y106 VanDerWaalsContact CG2-CB 3.48Å; I99-Y106 HydrophobicContact CG2-CD1 3.95Å; I99-Y106 HydrophobicContact CG2-CD2 3.73Å; I99-Y106 HydrophobicContact CG2-CE2 4.47Å; I99-Y106 HydrophobicContact CG2-CG 3.44Å; I99-Y106 VanDerWaalsContact CG2-CG 3.44Å; I99-L125 HydrophobicContact CD1-CD2 3.98Å; I99-V176 HydrophobicContact CD1-CB 4.33Å; I99-V176 HydrophobicContact CD1-CG2 3.79Å; I99-F178 HydrophobicContact CB-CE2 4.35Å; I99-F178 HydrophobicContact CB-CZ 3.84Å; I99-F178 HydrophobicContact CD1-CZ 4.46Å; I99-F178 HydrophobicContact CG2-CE2 3.48Å; I99-F178 VanDerWaalsContact CG2-CE2 3.48Å; I99-F178 HydrophobicContact CG2-CZ 3.48Å; I99-F178 VanDerWaalsContact CG2-CZ 3.48Å; I99-L203 PolarHBondContact N-O 3.42Å; I99-P205 HydrophobicContact CD1-CG 4.15Å; I99-P205 HydrophobicContact CG1-CG 4.06Å
100	P	93.3	Very high	96.1	Very high	8 Å²	8	13.2 Å²	13.2	5%	0.052	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-64.7	132	168.6	-20.4	33.4	0	0	0	111.1	V49 T54 L56 P98 S102 C103	V49-P100 HydrophobicContact CG1-CB 4.05Å; V49-P100 HydrophobicContact CG1-CG 3.87Å; V49-P100 HydrophobicContact CG2-CB 4.34Å; T54-P100 WeakPolarHBondContact O-CG 3.45Å; L56-P100 HydrophobicContact CD2-CG 4.11Å; P98-P100 WeakPolarHBondContact O-CD 3.49Å; P100-S102 PolarHBondContact O-N 3.4Å; P100-C103 WeakPolarHBondContact O-CB 3.32Å; P100-C103 PolarHBondContact O-N 3.24Å; P100-C103 PolarHBondContact O-SG 2.69Å
101	S	89.5	Confident	96.2	Very high	20 Å²	20	18.6 Å²	18.6	14%	0.14	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-60.2	-30.5	173.7	30.9	0	0	0	0	112.5	C103 G104 S582	S101-C103 PolarHBondContact O-N 3.21Å; S101-C103 VanDerWaalsContact O-N 3.09Å; S101-G104 PolarHBondContact O-N 2.95Å; S101-S582 WeakPolarHBondContact CB-OG 3.44Å; S101-S582 WeakPolarHBondContact OG-CB 3.48Å; S101-S582 PolarHBondContact OG-OG 2.96Å
102	S	89.1	Confident	96.2	Very high	20 Å²	20	18.7 Å²	18.7	14%	0.14	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-65.1	0.7	171.9	47	0	0	0	0	115	V49 P100 G104 A587	V49-S102 WeakPolarHBondContact CG2-O 3.44Å; P100-S102 PolarHBondContact O-N 3.4Å; S102-G104 VanDerWaalsContact C-N 3.34Å; S102-A587 WeakPolarHBondContact O-CB 3.06Å
103	C	92.3	Very high	96.2	Very high	6 Å²	6	20.8 Å²	20.8	4%	0.041	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-71.6	-31.4	160.8	-57	0	0	0	0	111.5	Y46 P100 S101 L105 Y106	Y46-C103 HydrophobicContact CD1-CB 3.83Å; Y46-C103 HydrophobicContact CE1-CB 4.1Å; Y46-C103 HydrophobicContact CG-CB 4.32Å; P100-C103 WeakPolarHBondContact O-CB 3.32Å; P100-C103 PolarHBondContact O-N 3.24Å; P100-C103 PolarHBondContact O-SG 2.69Å; S101-C103 PolarHBondContact O-N 3.21Å; S101-C103 VanDerWaalsContact O-N 3.09Å; C103-L105 PolarHBondContact O-N 2.94Å; C103-L105 VanDerWaalsContact O-O 3.11Å; C103-Y106 HydrophobicContact CB-CD2 4.43Å
104	G	92.3	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	72.1	-53.5	-175.7	0	0	0	0	0	113.6	S101 S102 F178 G584	S101-G104 PolarHBondContact O-N 2.95Å; S102-G104 VanDerWaalsContact C-N 3.34Å; G104-F178 PolarHBondContact O-N 3.02Å; G104-G584 WeakPolarHBondContact CA-O 3.44Å
105	L	94.3	Very high	96.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.1	164.5	-168.8	69.7	0	0	0	106.8	Y46 C103 C175 V176 N177 I230 M233 M234 M237 F588	Y46-L105 WeakPolarHBondContact CE1-O 3.41Å; C103-L105 PolarHBondContact O-N 2.94Å; C103-L105 VanDerWaalsContact O-O 3.11Å; L105-C175 VanDerWaalsContact CD1-SG 3.57Å; L105-V176 CarbonylContact C-O 3.58Å; L105-V176 WeakPolarHBondContact CA-O 3.37Å; L105-N177 HydrophobicContact CD1-CB 3.64Å; L105-I230 HydrophobicContact CD2-CD1 3.57Å; L105-I230 HydrophobicContact CG-CD1 4.11Å; L105-M233 HydrophobicContact CD2-CB 4.04Å; L105-M233 HydrophobicContact CD2-CE 4.4Å; L105-M234 HydrophobicContact CB-CE 4Å; L105-M234 HydrophobicContact CB-CG 4.31Å; L105-M234 HydrophobicContact CD2-CE 4.22Å; L105-M234 HydrophobicContact CD2-CG 4.03Å; L105-M234 HydrophobicContact CG-CE 4.27Å; L105-M234 WeakPolarHBondContact O-CE 3.4Å; L105-M237 HydrophobicContact CB-SD 4.15Å; L105-M237 HydrophobicContact CD1-SD 4.34Å; L105-M237 HydrophobicContact CD2-SD 4.07Å; L105-M237 HydrophobicContact CG-SD 4.44Å; L105-F588 HydrophobicContact CB-CZ 4.13Å
106	Y	96.7	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.7	175.3	179	-91.4	0	0	0	110.4	Y46 L56 P57 I99 C103 F108 C175 V176 P205	Y46-Y106 HydrophobicContact CD2-CD2 4.47Å; Y46-Y106 HydrophobicContact CE1-CD2 4.19Å; Y46-Y106 AromaticContact CE2-CD2 3.56Å; Y46-Y106 HydrophobicContact CE2-CD2 3.56Å; Y46-Y106 AromaticContact CE2-CE2 3.69Å; Y46-Y106 HydrophobicContact CE2-CE2 3.69Å; Y46-Y106 AromaticContact CZ-CD2 3.41Å; Y46-Y106 VanDerWaalsContact CZ-CD2 3.41Å; Y46-Y106 AromaticContact CZ-CE2 3.94Å; Y46-Y106 VanDerWaalsContact OH-CD2 3.26Å; Y46-Y106 WeakPolarHBondContact OH-CD2 3.49Å; L56-Y106 HydrophobicContact CD2-CE2 4.41Å; P57-Y106 HydrophobicContact CG-CE2 4.32Å; P57-Y106 PolarHBondContact O-OH 3.21Å; I99-Y106 HydrophobicContact CB-CG 4.42Å; I99-Y106 HydrophobicContact CD1-CD1 3.5Å; I99-Y106 HydrophobicContact CD1-CE1 3.93Å; I99-Y106 HydrophobicContact CD1-CG 4.15Å; I99-Y106 HydrophobicContact CG1-CD1 3.7Å; I99-Y106 HydrophobicContact CG1-CE1 3.84Å; I99-Y106 HydrophobicContact CG1-CG 4.09Å; I99-Y106 VanDerWaalsContact CG2-CB 3.48Å; I99-Y106 HydrophobicContact CG2-CD1 3.95Å; I99-Y106 HydrophobicContact CG2-CD2 3.73Å; I99-Y106 HydrophobicContact CG2-CE2 4.47Å; I99-Y106 HydrophobicContact CG2-CG 3.44Å; I99-Y106 VanDerWaalsContact CG2-CG 3.44Å; C103-Y106 HydrophobicContact CB-CD2 4.43Å; Y106-F108 HydrophobicContact CD1-CD1 4.36Å; Y106-F108 HydrophobicContact CE1-CB 4.21Å; Y106-F108 AromaticContact CE1-CD1 3.81Å; Y106-F108 HydrophobicContact CE1-CD1 3.81Å; Y106-F108 HydrophobicContact CE1-CG 4.41Å; Y106-C175 CarbonylContact O-C 3.57Å; Y106-C175 WeakPolarHBondContact O-CA 3.49Å; Y106-V176 PolarHBondContact N-O 3.27Å; Y106-V176 PolarHBondContact O-N 2.97Å; Y106-P205 HydrophobicContact CE1-CG 3.96Å
107	Y	98.1	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.2	-177.6	-171.4	-112	0	0	0	112	Y46 E109 G173 C174 C175 T186 F225 F227 I230	Y46-Y107 PolarHBondContact OH-N 3.03Å; Y46-Y107 PolarHBondContact OH-O 3.36Å; Y107-E109 HydrophobicContact CD1-CG 4.46Å; Y107-E109 HydrophobicContact CE1-CG 3.49Å; Y107-E109 VanDerWaalsContact CE1-CG 3.49Å; Y107-E109 WeakPolarHBondContact CE1-OE1 3.45Å; Y107-E109 WeakPolarHBondContact OH-CG 3.33Å; Y107-E109 PolarHBondContact OH-OE1 3.08Å; Y107-G173 WeakPolarHBondContact OH-CA 3.25Å; Y107-C174 WeakPolarHBondContact CD2-O 3.3Å; Y107-C175 HydrophobicContact CD2-CB 3.68Å; Y107-C175 HydrophobicContact CE2-CB 4.27Å; Y107-T186 HydrophobicContact CE2-CG2 3.98Å; Y107-T186 PolarHBondContact OH-OG1 3.37Å; Y107-F225 HydrophobicContact CD1-CB 4.36Å; Y107-F225 AromaticContact CD1-CD1 3.73Å; Y107-F225 HydrophobicContact CD1-CD1 3.73Å; Y107-F225 AromaticContact CD1-CD2 3.8Å; Y107-F225 HydrophobicContact CD1-CD2 3.8Å; Y107-F225 AromaticContact CD1-CE1 3.85Å; Y107-F225 HydrophobicContact CD1-CE1 3.85Å; Y107-F225 AromaticContact CD1-CE2 3.92Å; Y107-F225 HydrophobicContact CD1-CE2 3.92Å; Y107-F225 AromaticContact CD1-CG 3.7Å; Y107-F225 HydrophobicContact CD1-CG 3.7Å; Y107-F225 AromaticContact CD1-CZ 3.94Å; Y107-F225 HydrophobicContact CD1-CZ 3.94Å; Y107-F225 HydrophobicContact CE1-CB 3.9Å; Y107-F225 AromaticContact CE1-CD1 3.66Å; Y107-F225 HydrophobicContact CE1-CD1 3.66Å; Y107-F225 HydrophobicContact CE1-CD2 4.22Å; Y107-F225 HydrophobicContact CE1-CE1 4.2Å; Y107-F225 AromaticContact CE1-CG 3.67Å; Y107-F225 HydrophobicContact CE1-CG 3.67Å; Y107-F227 HydrophobicContact CE1-CB 3.99Å; Y107-F227 HydrophobicContact CE1-CD1 4.37Å; Y107-F227 HydrophobicContact CE2-CD1 4.16Å; Y107-F227 AromaticContact CZ-CD1 3.98Å; Y107-F227 WeakPolarHBondContact OH-CB 3.33Å; Y107-I230 HydrophobicContact CD1-CB 4.48Å; Y107-I230 HydrophobicContact CD1-CG1 4.26Å; Y107-I230 HydrophobicContact CD2-CD1 4.41Å; Y107-I230 HydrophobicContact CG-CD1 4.06Å; Y107-I230 HydrophobicContact CG-CG1 4.07Å
108	F	98.6	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.9	168.6	72.9	-79.8	0	0	0	110.1	Y106 V110 I123 L125 G173 C174 P205 F220	Y106-F108 HydrophobicContact CD1-CD1 4.36Å; Y106-F108 HydrophobicContact CE1-CB 4.21Å; Y106-F108 AromaticContact CE1-CD1 3.81Å; Y106-F108 HydrophobicContact CE1-CD1 3.81Å; Y106-F108 HydrophobicContact CE1-CG 4.41Å; F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.79Å; F108-I123 HydrophobicContact CE2-CG2 4.38Å; F108-L125 HydrophobicContact CE1-CD2 4.27Å; F108-G173 CarbonylContact O-C 3.58Å; F108-G173 WeakPolarHBondContact O-CA 3.41Å; F108-C174 HydrophobicContact CD1-CB 4.02Å; F108-C174 HydrophobicContact CE1-CB 3.46Å; F108-C174 VanDerWaalsContact CE1-CB 3.46Å; F108-C174 HydrophobicContact CE2-CB 4.33Å; F108-C174 HydrophobicContact CZ-CB 3.63Å; F108-C174 PolarHBondContact N-O 2.92Å; F108-C174 PolarHBondContact O-N 3.19Å; F108-P205 HydrophobicContact CD1-CB 4.13Å; F108-P205 HydrophobicContact CD1-CG 4.09Å; F108-P205 HydrophobicContact CD2-CB 4.4Å; F108-P205 HydrophobicContact CE1-CB 3.71Å; F108-P205 HydrophobicContact CE1-CG 3.94Å; F108-P205 HydrophobicContact CE2-CB 4.04Å; F108-P205 HydrophobicContact CG-CB 4.44Å; F108-P205 HydrophobicContact CZ-CB 3.67Å; F108-P205 HydrophobicContact CZ-CG 4.41Å; F108-F220 HydrophobicContact CB-CD1 3.8Å; F108-F220 HydrophobicContact CB-CE1 4.27Å; F108-F220 HydrophobicContact CD2-CD1 4.42Å; F108-F220 HydrophobicContact CD2-CE1 4.05Å; F108-F220 HydrophobicContact CG-CD1 4.26Å; F108-F220 HydrophobicContact CG-CE1 4.24Å
109	E	98.8	Very high	96.2	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.037	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.3	178.3	-72.8	-176.8	167.3	0	0	111.8	Y107 V171 A218 N219 F225 K226 F227	Y107-E109 HydrophobicContact CD1-CG 4.46Å; Y107-E109 HydrophobicContact CE1-CG 3.49Å; Y107-E109 VanDerWaalsContact CE1-CG 3.49Å; Y107-E109 WeakPolarHBondContact CE1-OE1 3.45Å; Y107-E109 WeakPolarHBondContact OH-CG 3.33Å; Y107-E109 PolarHBondContact OH-OE1 3.08Å; E109-V171 HydrophobicContact CB-CG1 3.87Å; E109-V171 HydrophobicContact CG-CG1 4.16Å; E109-A218 CarbonylContact O-C 3.2Å; E109-A218 WeakPolarHBondContact O-CA 3.48Å; E109-N219 HydrophobicContact CB-CB 4.43Å; E109-N219 PolarHBondContact N-O 2.91Å; E109-N219 PolarHBondContact O-N 3.29Å; E109-F225 HydrophobicContact CB-CD1 4.26Å; E109-F225 HydrophobicContact CG-CD1 3.8Å; E109-F225 HydrophobicContact CG-CE1 4.42Å; E109-K226 VanDerWaalsContact CD-N 3.33Å; E109-K226 PolarHBondContact OE1-N 3.43Å; E109-K226 VanDerWaalsContact OE1-N 3.08Å; E109-K226 PolarHBondContact OE2-N 2.87Å; E109-F227 PolarHBondContact OE1-N 3.45Å
110	V	98.9	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.8	175.3	178.7	0	0	0	0	108.9	F108 I123 I172 V207 V216 D217	F108-V110 HydrophobicContact CD2-CG2 4.01Å; F108-V110 HydrophobicContact CE2-CG2 3.79Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.44Å; V110-I123 HydrophobicContact CB-CG2 4.34Å; V110-I123 HydrophobicContact CG1-CD1 3.93Å; V110-I123 HydrophobicContact CG1-CG1 4.29Å; V110-I123 HydrophobicContact CG2-CG2 3.96Å; V110-I172 PolarHBondContact N-O 2.7Å; V110-I172 PolarHBondContact O-N 2.75Å; V110-V207 HydrophobicContact CG1-CG2 4.15Å; V110-V207 HydrophobicContact CG2-CG2 3.96Å; V110-V216 HydrophobicContact CG1-CB 3.68Å; V110-V216 HydrophobicContact CG1-CG1 4.16Å; V110-V216 HydrophobicContact CG1-CG2 3.71Å; V110-D217 CarbonylContact C-O 3.56Å; V110-D217 WeakPolarHBondContact CA-O 3.48Å
111	R	98.9	Very high	96.6	Very high	114 Å²	114	29 Å²	29	43%	0.43	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.2	177.1	179	176.4	65.4	177.4	-2.1	110.1	I113 V171 V216 D217	R111-I113 HydrophobicContact CG-CD1 4.02Å; R111-I113 VanDerWaalsContact NE-CD1 3.27Å; R111-I113 PolarHBondContact O-N 2.94Å; R111-V171 HydrophobicContact CB-CG2 4.13Å; R111-V171 HydrophobicContact CG-CG2 4.08Å; R111-V216 CarbonylContact O-C 3.58Å; R111-V216 VanDerWaalsContact O-CA 3.27Å; R111-V216 WeakPolarHBondContact O-CA 3.5Å; R111-V216 WeakPolarHBondContact O-CB 3.44Å; R111-D217 HydrophobicContact CB-CB 4.49Å; R111-D217 IonicContact CZ-OD2 2.6Å; R111-D217 PolarHBondContact N-O 2.91Å; R111-D217 IonicContact NE-OD2 3.28Å; R111-D217 IonicContact NH2-OD2 2.93Å; R111-D217 PolarHBondContact NH2-OD2 2.81Å; R111-D217 PolarHBondContact O-N 3.32Å
112	I	98.9	Very high	97	Very high	2 Å²	2	28 Å²	28	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.6	176.4	-46.2	-56.1	0	0	0	109.5	K115 M121 I123 F166 T167 G169 D170 V216	I112-K115 HydrophobicContact CG2-CB 4.38Å; I112-M121 HydrophobicContact CD1-CE 4.15Å; I112-M121 HydrophobicContact CD1-SD 4.3Å; I112-M121 HydrophobicContact CG1-CE 4.43Å; I112-M121 HydrophobicContact CG2-CE 3.77Å; I112-M121 HydrophobicContact CG2-SD 3.92Å; I112-I123 HydrophobicContact CD1-CD1 4.17Å; I112-F166 HydrophobicContact CD1-CD2 3.92Å; I112-F166 HydrophobicContact CD1-CE2 3.94Å; I112-F166 HydrophobicContact CG1-CD2 4.02Å; I112-T167 WeakPolarHBondContact CB-O 3.49Å; I112-G169 PolarHBondContact O-N 3.46Å; I112-D170 HydrophobicContact CG1-CB 4.39Å; I112-D170 PolarHBondContact N-O 3.46Å; I112-V216 HydrophobicContact CD1-CG1 3.74Å
113	I	98.8	Very high	97.5	Very high	45 Å²	45	27.1 Å²	27.1	23%	0.231	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-39	178	-53.6	-56.7	0	0	0	110.4	R111 E215 D217	R111-I113 HydrophobicContact CG-CD1 4.02Å; R111-I113 VanDerWaalsContact NE-CD1 3.27Å; R111-I113 PolarHBondContact O-N 2.94Å; I113-E215 WeakPolarHBondContact CA-O 3.28Å; I113-E215 HydrophobicContact CB-CB 4.19Å; I113-E215 HydrophobicContact CB-CG 4.04Å; I113-E215 WeakPolarHBondContact CB-O 3.26Å; I113-E215 HydrophobicContact CG2-CG 4.22Å; I113-E215 PolarHBondContact N-O 2.97Å; I113-D217 HydrophobicContact CD1-CB 4.15Å; I113-D217 WeakPolarHBondContact CD1-OD2 3.38Å; I113-D217 HydrophobicContact CG1-CB 4.3Å
114	S	98.8	Very high	97.8	Very high	34 Å²	34	26.9 Å²	26.9	24%	0.238	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	129.4	172.8	169.2	0	0	0	0	109.4	G116 G213 E214 E215	S114-G116 PolarHBondContact O-N 3.04Å; S114-G116 PolarHBondContact OG-N 3.49Å; S114-G213 VanDerWaalsContact CB-O 3.23Å; S114-G213 WeakPolarHBondContact CB-O 3.31Å; S114-G213 PolarHBondContact OG-O 3.06Å; S114-E214 WeakPolarHBondContact O-CA 3.23Å; S114-E215 PolarHBondContact N-O 3.47Å; S114-E215 PolarHBondContact O-N 3.25Å
115	K	98.4	Very high	98.1	Very high	69 Å²	69	26.9 Å²	26.9	30%	0.3	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	3.6	169.7	76.2	118.1	-177.1	168.8	0	113.9	I112 R117 N118 G119 M121 T167 T168 E214	I112-K115 HydrophobicContact CG2-CB 4.38Å; K115-R117 PolarHBondContact NZ-O 3.48Å; K115-N118 PolarHBondContact NZ-O 2.89Å; K115-G119 WeakPolarHBondContact O-CA 3.15Å; K115-G119 PolarHBondContact O-N 3.23Å; K115-M121 HydrophobicContact CB-CE 3.8Å; K115-M121 HydrophobicContact CB-SD 4.42Å; K115-T167 WeakPolarHBondContact CG-OG1 3.31Å; K115-T168 PolarHBondContact N-OG1 3.29Å; K115-E214 WeakPolarHBondContact O-CG 3.32Å
116	G	98	Very high	98.3	Very high	24 Å²	24	26.9 Å²	26.9	25%	0.247	13%	0.125	C	C	.	.			trans	54.1	-141	-179.9	0	0	0	0	0	113.9	S114 G213	S114-G116 PolarHBondContact O-N 3.04Å; S114-G116 PolarHBondContact OG-N 3.49Å; G116-G213 WeakPolarHBondContact CA-O 3.33Å; G116-G213 PolarHBondContact N-O 3.48Å
117	R	97.4	Very high	98.3	Very high	140 Å²	140	27.5 Å²	27.5	53%	0.528	13%	0.13	S	C	.	.	S	Bend	trans	-67.4	-59	179	-172.2	-169.9	-65	145.9	1.1	111.6	G84 K115 P212	G84-R117 PolarHBondContact O-NH1 2.96Å; K115-R117 PolarHBondContact NZ-O 3.48Å; R117-P212 PolarHBondContact N-O 3.16Å; R117-P212 VanDerWaalsContact N-O 3.11Å
118	N	96.9	Very high	98.2	Very high	58 Å²	58	33.1 Å²	33.1	31%	0.31	16%	0.156	S	C	.	.	S	Bend	trans	-104	-52.1	-171.7	-70.1	82.7	0	0	0	112.1	K115 Y120 T211	K115-N118 PolarHBondContact NZ-O 2.89Å; N118-Y120 HydrophobicContact CB-CD1 3.92Å; N118-Y120 HydrophobicContact CB-CD2 3.76Å; N118-Y120 HydrophobicContact CB-CE1 3.86Å; N118-Y120 HydrophobicContact CB-CE2 3.69Å; N118-Y120 HydrophobicContact CB-CG 3.87Å; N118-Y120 PolarHBondContact ND2-OH 3.46Å; N118-T211 HydrophobicContact CB-CG2 3.76Å; N118-T211 PolarHBondContact N-OG1 3.34Å; N118-T211 VanDerWaalsContact N-OG1 3.08Å
119	G	96.9	Very high	98	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	19%	0.192	C	C	.	.			trans	101	27.4	-172.2	0	0	0	0	0	112.7	K115 M121 E214	K115-G119 WeakPolarHBondContact O-CA 3.15Å; K115-G119 PolarHBondContact O-N 3.23Å; G119-M121 PolarHBondContact O-N 3.29Å; G119-E214 WeakPolarHBondContact CA-OE1 3.32Å; G119-E214 PolarHBondContact N-OE1 3.19Å
120	Y	97.9	Very high	97.9	Very high	66 Å²	66	41.2 Å²	41.2	26%	0.259	19%	0.194	S	C	.	.			trans	-77.6	66.7	-179.8	-65.4	-22.6	0	0	0	109.8	N118 D148 Q210 T211 E214	N118-Y120 HydrophobicContact CB-CD1 3.92Å; N118-Y120 HydrophobicContact CB-CD2 3.76Å; N118-Y120 HydrophobicContact CB-CE1 3.86Å; N118-Y120 HydrophobicContact CB-CE2 3.69Å; N118-Y120 HydrophobicContact CB-CG 3.87Å; N118-Y120 PolarHBondContact ND2-OH 3.46Å; Y120-D148 HydrophobicContact CD1-CB 3.71Å; Y120-D148 WeakPolarHBondContact CD1-OD2 3.19Å; Y120-D148 HydrophobicContact CE1-CB 4Å; Y120-D148 WeakPolarHBondContact CE1-OD2 3.41Å; Y120-Q210 HydrophobicContact CD2-CB 4.47Å; Y120-Q210 PolarHBondContact O-N 3.2Å; Y120-T211 HydrophobicContact CD2-CG2 3.47Å; Y120-T211 VanDerWaalsContact CD2-CG2 3.47Å; Y120-T211 HydrophobicContact CE2-CG2 4.13Å; Y120-T211 HydrophobicContact CG-CG2 4.18Å; Y120-E214 PolarHBondContact N-OE1 3.14Å
121	M	98.4	Very high	97.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.219	C	C	.	.			trans	-115.7	118.2	-170	-56.6	173.9	-61.5	0	0	109.1	I112 K115 G119 H146 G147 F166 G208 L209 E214 V216	I112-M121 HydrophobicContact CD1-CE 4.15Å; I112-M121 HydrophobicContact CD1-SD 4.3Å; I112-M121 HydrophobicContact CG1-CE 4.43Å; I112-M121 HydrophobicContact CG2-CE 3.77Å; I112-M121 HydrophobicContact CG2-SD 3.92Å; K115-M121 HydrophobicContact CB-CE 3.8Å; K115-M121 HydrophobicContact CB-SD 4.42Å; G119-M121 PolarHBondContact O-N 3.29Å; M121-H146 WeakPolarHBondContact O-CA 3.45Å; M121-G147 PolarHBondContact O-N 3.34Å; M121-F166 HydrophobicContact CB-CE2 4.35Å; M121-F166 HydrophobicContact CE-CD2 4.28Å; M121-F166 HydrophobicContact CE-CE2 4.28Å; M121-G208 CarbonylContact C-O 3.51Å; M121-G208 WeakPolarHBondContact CA-O 3.35Å; M121-L209 HydrophobicContact CB-CD2 4.14Å; M121-L209 HydrophobicContact CG-CD2 3.78Å; M121-L209 HydrophobicContact SD-CD2 4.45Å; M121-E214 HydrophobicContact CG-CB 4.42Å; M121-E214 HydrophobicContact CG-CG 4.03Å; M121-E214 HydrophobicContact SD-CB 4.48Å; M121-E214 HydrophobicContact SD-CG 4.19Å; M121-V216 HydrophobicContact SD-CG1 4.4Å
122	G	98.7	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.8	176.7	0	0	0	0	0	111	V207 G208	G122-V207 WeakPolarHBondContact O-CA 3.42Å; G122-G208 PolarHBondContact N-O 2.89Å; G122-G208 PolarHBondContact O-N 3.28Å
123	I	98.9	Very high	97.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135	178.7	-59.2	164.7	0	0	0	108.1	F108 V110 I112 G144 Y145 F166 I172 Y185 V207	F108-I123 HydrophobicContact CE2-CG2 4.38Å; V110-I123 HydrophobicContact CB-CD1 3.96Å; V110-I123 HydrophobicContact CB-CG1 4.44Å; V110-I123 HydrophobicContact CB-CG2 4.34Å; V110-I123 HydrophobicContact CG1-CD1 3.93Å; V110-I123 HydrophobicContact CG1-CG1 4.29Å; V110-I123 HydrophobicContact CG2-CG2 3.96Å; I112-I123 HydrophobicContact CD1-CD1 4.17Å; I123-G144 CarbonylContact O-C 3.53Å; I123-G144 VanDerWaalsContact O-CA 3.23Å; I123-G144 WeakPolarHBondContact O-CA 3.22Å; I123-Y145 PolarHBondContact N-O 2.71Å; I123-Y145 PolarHBondContact O-N 3.02Å; I123-F166 HydrophobicContact CD1-CE2 3.77Å; I123-F166 HydrophobicContact CD1-CZ 3.74Å; I123-F166 HydrophobicContact CG1-CE2 4.5Å; I123-F166 HydrophobicContact CG1-CZ 4.24Å; I123-I172 HydrophobicContact CD1-CB 3.71Å; I123-I172 HydrophobicContact CD1-CG1 4.04Å; I123-I172 HydrophobicContact CD1-CG2 3.9Å; I123-Y185 HydrophobicContact CG2-CE1 4.4Å; I123-Y185 WeakPolarHBondContact O-CE1 3.32Å; I123-Y185 PolarHBondContact O-OH 3.4Å; I123-V207 HydrophobicContact CG1-CG2 4.31Å
124	G	98.7	Very high	97.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	-134	175	0	0	0	0	0	115.6	Y143 Y185 T206	G124-Y143 CarbonylContact C-O 3.57Å; G124-Y143 WeakPolarHBondContact CA-O 3.34Å; G124-Y185 WeakPolarHBondContact CA-OH 3.37Å; G124-T206 PolarHBondContact N-O 3.41Å; G124-T206 PolarHBondContact O-N 3.4Å
125	L	98.8	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136	-162.3	-57.4	171.4	0	0	0	111.1	I99 F108 Y143 V176 C183 L199 L203 Y204	I99-L125 HydrophobicContact CD1-CD2 3.98Å; F108-L125 HydrophobicContact CE1-CD2 4.27Å; L125-Y143 PolarHBondContact N-O 3.02Å; L125-Y143 PolarHBondContact O-N 3.36Å; L125-V176 HydrophobicContact CD1-CG1 4.38Å; L125-V176 HydrophobicContact CD1-CG2 3.63Å; L125-V176 HydrophobicContact CD2-CG2 3.82Å; L125-V176 HydrophobicContact CG-CG2 4.33Å; L125-C183 HydrophobicContact CD1-CB 4.32Å; L125-L199 HydrophobicContact CD1-CD1 4.18Å; L125-L203 HydrophobicContact CB-CB 4.23Å; L125-L203 HydrophobicContact CB-CD1 4.13Å; L125-L203 HydrophobicContact CB-CD2 4.43Å; L125-L203 HydrophobicContact CD1-CD1 4.05Å; L125-Y204 WeakPolarHBondContact CA-O 3.47Å
126	T	98.6	Very high	97.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.8	177.6	69.6	0	0	0	0	113.3	F130 P136 S142 Y204 T206	T126-F130 HydrophobicContact CG2-CB 4.29Å; T126-F130 HydrophobicContact CG2-CD1 3.63Å; T126-F130 HydrophobicContact CG2-CD2 4.06Å; T126-F130 HydrophobicContact CG2-CE1 3.86Å; T126-F130 HydrophobicContact CG2-CE2 4.28Å; T126-F130 HydrophobicContact CG2-CG 3.72Å; T126-F130 HydrophobicContact CG2-CZ 4.17Å; T126-P136 HydrophobicContact CG2-CB 4.35Å; T126-S142 WeakPolarHBondContact CG2-OG 3.5Å; T126-Y204 PolarHBondContact N-O 2.88Å; T126-Y204 WeakPolarHBondContact O-CD2 3.17Å; T126-Y204 PolarHBondContact O-N 2.56Å; T126-T206 HydrophobicContact CG2-CG2 3.7Å; T126-T206 WeakPolarHBondContact CG2-OG1 3.26Å; T126-T206 PolarHBondContact OG1-OG1 2.82Å
127	A	97.4	Very high	97.5	Very high	13 Å²	13	42.2 Å²	42.2	11%	0.107	19%	0.188	C	C	.	.			trans	-80	165.2	171.5	0	0	0	0	0	112.4	R94 Q129 F130 Q141 L203	R94-A127 PolarHBondContact NH1-O 3.3Å; A127-Q129 PolarHBondContact O-N 2.81Å; A127-Q129 VanDerWaalsContact O-N 3.07Å; A127-F130 VanDerWaalsContact O-CB 3.29Å; A127-F130 WeakPolarHBondContact O-CB 3.34Å; A127-F130 PolarHBondContact O-N 3.25Å; A127-Q141 HydrophobicContact CB-CB 3.64Å; A127-Q141 PolarHBondContact N-O 3.32Å; A127-L203 HydrophobicContact CB-CD2 4.46Å
128	Q	96.1	Very high	97.5	Very high	118 Å²	118	37 Å²	37	55%	0.551	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31	-173.8	-163.8	-178.8	14.6	0	0	114.3	R94 Y204	R94-Q128 VanDerWaalsContact NH1-C 3.29Å; R94-Q128 PolarHBondContact NH1-O 2.85Å; R94-Q128 PolarHBondContact NH2-O 3.02Å; R94-Q128 VanDerWaalsContact NH2-O 3.11Å; Q128-Y204 HydrophobicContact CB-CE2 4.03Å; Q128-Y204 HydrophobicContact CG-CE2 4.45Å
129	Q	93.9	Very high	97.5	Very high	163 Å²	163	35.3 Å²	35.3	76%	0.762	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	9.5	-178.3	-54.9	-61.9	-11.1	0	0	114.4	A127	A127-Q129 PolarHBondContact O-N 2.81Å; A127-Q129 VanDerWaalsContact O-N 3.07Å
130	F	96.7	Very high	97.4	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.066	20%	0.196	C	C	.	.			trans	-65.7	139	178.9	177.2	-102.8	0	0	0	113	T126 A127 M132 R134 D139 S142	T126-F130 HydrophobicContact CG2-CB 4.29Å; T126-F130 HydrophobicContact CG2-CD1 3.63Å; T126-F130 HydrophobicContact CG2-CD2 4.06Å; T126-F130 HydrophobicContact CG2-CE1 3.86Å; T126-F130 HydrophobicContact CG2-CE2 4.28Å; T126-F130 HydrophobicContact CG2-CG 3.72Å; T126-F130 HydrophobicContact CG2-CZ 4.17Å; A127-F130 VanDerWaalsContact O-CB 3.29Å; A127-F130 WeakPolarHBondContact O-CB 3.34Å; A127-F130 PolarHBondContact O-N 3.25Å; F130-M132 HydrophobicContact CD1-CE 4.11Å; F130-M132 HydrophobicContact CD1-SD 4.04Å; F130-M132 HydrophobicContact CE1-SD 4.39Å; F130-M132 PolarHBondContact O-N 3.22Å; F130-R134 HydrophobicContact CE2-CB 4.15Å; F130-R134 HydrophobicContact CZ-CB 3.74Å; F130-D139 HydrophobicContact CD2-CB 4.14Å; F130-D139 HydrophobicContact CE2-CB 3.99Å; F130-S142 WeakPolarHBondContact CD2-OG 3.35Å; F130-S142 WeakPolarHBondContact CE2-OG 3.3Å
131	R	96.1	Very high	97.3	Very high	140 Å²	140	45.7 Å²	45.7	53%	0.528	21%	0.206	S	C	.	.			trans	-83.3	113.6	-178.8	-62.5	-174.3	-64.4	176.3	0.9	111	N133 R134 D139	R131-N133 PolarHBondContact O-N 3.46Å; R131-R134 HydrophobicContact CB-CG 4.14Å; R131-R134 WeakPolarHBondContact O-CB 3.42Å; R131-R134 WeakPolarHBondContact O-CG 3.34Å; R131-R134 PolarHBondContact O-N 3.32Å; R131-D139 IonicContact CZ-OD2 2.73Å; R131-D139 IonicContact NE-OD2 3.71Å; R131-D139 PolarHBondContact NE-OD2 3.45Å; R131-D139 VanDerWaalsContact NH2-CG 3.34Å; R131-D139 IonicContact NH2-OD1 3.23Å; R131-D139 PolarHBondContact NH2-OD1 2.86Å; R131-D139 IonicContact NH2-OD2 2.78Å; R131-D139 PolarHBondContact NH2-OD2 3.16Å
132	M	97.3	Very high	97.3	Very high	26 Å²	26	45.6 Å²	45.6	13%	0.128	21%	0.206	C	C	.	.	S	Bend	trans	-67.3	-1.1	-175.7	-62	-60.6	160.7	0	0	115.5	C66 A91 S92 R94 F130 R134	C66-M132 HydrophobicContact CB-CB 4.32Å; C66-M132 WeakPolarHBondContact CB-O 3.13Å; A91-M132 CarbonylContact C-O 3.57Å; A91-M132 WeakPolarHBondContact CA-O 3.27Å; S92-M132 PolarHBondContact N-O 3.47Å; R94-M132 HydrophobicContact CB-CE 4.19Å; R94-M132 HydrophobicContact CG-CE 3.61Å; F130-M132 HydrophobicContact CD1-CE 4.11Å; F130-M132 HydrophobicContact CD1-SD 4.04Å; F130-M132 HydrophobicContact CE1-SD 4.39Å; F130-M132 PolarHBondContact O-N 3.22Å; M132-R134 VanDerWaalsContact C-N 3.31Å
133	N	96.4	Very high	97.3	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	21%	0.21	S	C	.	.	S	Bend	trans	-95.7	34.4	171.8	71.5	-43.4	0	0	0	113	A90 R131	A90-N133 CarbonylContact O-C 3.14Å; A90-N133 WeakPolarHBondContact O-CA 3.26Å; R131-N133 PolarHBondContact O-N 3.46Å
134	R	97.6	Very high	97.3	Very high	60 Å²	60	46.6 Å²	46.6	23%	0.226	21%	0.21	C	C	.	.	S	Bend	trans	-145.9	151.7	-174.7	-55.7	-72	-80.9	145.8	1.3	108.5	S92 F130 R131 M132 W138 D139	S92-R134 WeakPolarHBondContact CB-O 3.45Å; S92-R134 PolarHBondContact OG-O 3.16Å; F130-R134 HydrophobicContact CE2-CB 4.15Å; F130-R134 HydrophobicContact CZ-CB 3.74Å; R131-R134 HydrophobicContact CB-CG 4.14Å; R131-R134 WeakPolarHBondContact O-CB 3.42Å; R131-R134 WeakPolarHBondContact O-CG 3.34Å; R131-R134 PolarHBondContact O-N 3.32Å; M132-R134 VanDerWaalsContact C-N 3.31Å; R134-W138 VanDerWaalsContact NH1-CE3 3.32Å; R134-W138 PolarHBondContact NH2-O 3.39Å; R134-D139 IonicContact CZ-OD1 3.22Å; R134-D139 IonicContact NE-OD1 2.77Å; R134-D139 PolarHBondContact NE-OD1 3.14Å; R134-D139 IonicContact NE-OD2 3.16Å; R134-D139 IonicContact NH2-OD1 3.39Å; R134-D139 PolarHBondContact NH2-OD1 3.07Å
135	L	98.1	Very high	97.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	21%	0.21	C	C	.	.			trans	-77.8	151.7	169	-60.6	-175	0	0	0	110.8	A90 W138	A90-L135 HydrophobicContact CB-CD2 4.13Å; A90-L135 HydrophobicContact CB-CG 4.08Å; L135-W138 HydrophobicContact CB-CD2 3.97Å; L135-W138 HydrophobicContact CB-CE3 4.07Å; L135-W138 HydrophobicContact CB-CG 4.49Å; L135-W138 HydrophobicContact CB-CH2 4.41Å; L135-W138 HydrophobicContact CB-CZ2 4.31Å; L135-W138 HydrophobicContact CB-CZ3 4.29Å; L135-W138 HydrophobicContact CD1-CH2 3.8Å; L135-W138 HydrophobicContact CD1-CZ2 3.71Å; L135-W138 HydrophobicContact CD1-CZ3 4.41Å; L135-W138 HydrophobicContact CG-CE3 4.33Å; L135-W138 HydrophobicContact CG-CH2 3.94Å; L135-W138 HydrophobicContact CG-CZ2 4.15Å; L135-W138 HydrophobicContact CG-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.86Å
136	P	98.4	Very high	97.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	141.6	174.7	-26.4	35.7	0	0	0	112.4	T126 S142 Y143 H146 T206	T126-P136 HydrophobicContact CG2-CB 4.35Å; P136-S142 WeakPolarHBondContact CA-OG 3.5Å; P136-Y143 WeakPolarHBondContact CB-O 3.48Å; P136-H146 PolarHBondContact O-NE2 3.15Å; P136-T206 HydrophobicContact CG-CG2 3.87Å
137	G	98.3	Very high	97.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-28.4	-176.4	0	0	0	0	0	115.6	D139 S142 F153 S155 S156	G137-D139 PolarHBondContact O-N 3.29Å; G137-S142 WeakPolarHBondContact CA-O 3.39Å; G137-S142 PolarHBondContact N-OG 2.82Å; G137-F153 WeakPolarHBondContact CA-O 3.35Å; G137-S155 CarbonylContact O-C 3.58Å; G137-S155 WeakPolarHBondContact O-CA 3.45Å; G137-S155 PolarHBondContact O-N 3.29Å; G137-S155 VanDerWaalsContact O-N 3.13Å; G137-S156 PolarHBondContact O-N 3.13Å; G137-S156 VanDerWaalsContact O-O 3.05Å
138	W	97.4	Very high	97.3	Very high	31 Å²	31	49.5 Å²	49.5	12%	0.117	22%	0.224	C	C	.	.	S	Bend	trans	-76.6	-18.8	-168.7	-75.9	0.2	0	0	0	117	H87 A90 R134 L135 H146 F153	H87-W138 HydrophobicContact CB-CH2 4.2Å; H87-W138 HydrophobicContact CB-CZ3 4.39Å; A90-W138 HydrophobicContact CB-CZ3 4.07Å; R134-W138 VanDerWaalsContact NH1-CE3 3.32Å; R134-W138 PolarHBondContact NH2-O 3.39Å; L135-W138 HydrophobicContact CB-CD2 3.97Å; L135-W138 HydrophobicContact CB-CE3 4.07Å; L135-W138 HydrophobicContact CB-CG 4.49Å; L135-W138 HydrophobicContact CB-CH2 4.41Å; L135-W138 HydrophobicContact CB-CZ2 4.31Å; L135-W138 HydrophobicContact CB-CZ3 4.29Å; L135-W138 HydrophobicContact CD1-CH2 3.8Å; L135-W138 HydrophobicContact CD1-CZ2 3.71Å; L135-W138 HydrophobicContact CD1-CZ3 4.41Å; L135-W138 HydrophobicContact CG-CE3 4.33Å; L135-W138 HydrophobicContact CG-CH2 3.94Å; L135-W138 HydrophobicContact CG-CZ2 4.15Å; L135-W138 HydrophobicContact CG-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.86Å; W138-H146 AromaticContact CD1-CE1 3.89Å; W138-H146 AromaticContact CE2-CE1 3.88Å; W138-H146 AromaticContact NE1-CE1 3.34Å; W138-H146 PolarHBondContact NE1-CE1 3.43Å; W138-H146 VanDerWaalsContact NE1-CE1 3.34Å; W138-F153 AromaticContact CD1-CD1 3.44Å; W138-F153 VanDerWaalsContact CD1-CD1 3.44Å; W138-F153 AromaticContact CD1-CE1 3.85Å; W138-F153 AromaticContact CD1-CG 3.99Å; W138-F153 AromaticContact NE1-CD1 3.56Å; W138-F153 AromaticContact NE1-CE1 3.47Å
139	D	96.4	Very high	97.4	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	21%	0.213	C	C	.	.	S	Bend	trans	-122.2	162.1	-179.6	-80.4	10.9	0	0	0	110	F130 R131 R134 G137 S142 S155	F130-D139 HydrophobicContact CD2-CB 4.14Å; F130-D139 HydrophobicContact CE2-CB 3.99Å; R131-D139 IonicContact CZ-OD2 2.73Å; R131-D139 IonicContact NE-OD2 3.71Å; R131-D139 PolarHBondContact NE-OD2 3.45Å; R131-D139 VanDerWaalsContact NH2-CG 3.34Å; R131-D139 IonicContact NH2-OD1 3.23Å; R131-D139 PolarHBondContact NH2-OD1 2.86Å; R131-D139 IonicContact NH2-OD2 2.78Å; R131-D139 PolarHBondContact NH2-OD2 3.16Å; R134-D139 IonicContact CZ-OD1 3.22Å; R134-D139 IonicContact NE-OD1 2.77Å; R134-D139 PolarHBondContact NE-OD1 3.14Å; R134-D139 IonicContact NE-OD2 3.16Å; R134-D139 IonicContact NH2-OD1 3.39Å; R134-D139 PolarHBondContact NH2-OD1 3.07Å; G137-D139 PolarHBondContact O-N 3.29Å; D139-S142 WeakPolarHBondContact O-CB 3.36Å; D139-S142 PolarHBondContact O-N 2.68Å; D139-S155 WeakPolarHBondContact O-CA 3.36Å
140	K	96.1	Very high	97.6	Very high	183 Å²	183	39 Å²	39	80%	0.796	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	142	179.4	-65.7	-173.5	177.2	-174.2	0	112.7	S142	K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 PolarHBondContact O-N 3.12Å
141	Q	95.3	Very high	97.7	Very high	103 Å²	103	39.9 Å²	39.9	48%	0.481	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	40.2	-176.4	-58.1	179.1	-25.9	0	0	112.6	A127 S155	A127-Q141 HydrophobicContact CB-CB 3.64Å; A127-Q141 PolarHBondContact N-O 3.32Å; Q141-S155 PolarHBondContact N-OG 2.92Å
142	S	98.4	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142	176	-161.2	0	0	0	0	108.5	T126 F130 P136 G137 D139 K140 S155	T126-S142 WeakPolarHBondContact CG2-OG 3.5Å; F130-S142 WeakPolarHBondContact CD2-OG 3.35Å; F130-S142 WeakPolarHBondContact CE2-OG 3.3Å; P136-S142 WeakPolarHBondContact CA-OG 3.5Å; G137-S142 WeakPolarHBondContact CA-O 3.39Å; G137-S142 PolarHBondContact N-OG 2.82Å; D139-S142 WeakPolarHBondContact O-CB 3.36Å; D139-S142 PolarHBondContact O-N 2.68Å; K140-S142 VanDerWaalsContact C-N 3.25Å; K140-S142 PolarHBondContact O-N 3.12Å; S142-S155 PolarHBondContact O-N 3.11Å
143	Y	98.8	Very high	97.9	Very high	21 Å²	21	33.2 Å²	33.2	8%	0.082	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	134	-175.2	-54.2	-88.1	0	0	0	108.6	G124 L125 P136 F153 S154 F196 L199 P200 L203	G124-Y143 CarbonylContact C-O 3.57Å; G124-Y143 WeakPolarHBondContact CA-O 3.34Å; L125-Y143 PolarHBondContact N-O 3.02Å; L125-Y143 PolarHBondContact O-N 3.36Å; P136-Y143 WeakPolarHBondContact CB-O 3.48Å; Y143-F153 WeakPolarHBondContact CA-O 3.42Å; Y143-S154 WeakPolarHBondContact CD1-OG 3.44Å; Y143-S154 WeakPolarHBondContact CE1-OG 3.08Å; Y143-F196 HydrophobicContact CD1-CB 4.38Å; Y143-F196 HydrophobicContact CD1-CD1 4.09Å; Y143-F196 HydrophobicContact CD1-CD2 4.34Å; Y143-F196 HydrophobicContact CD1-CG 4Å; Y143-F196 HydrophobicContact CG-CD2 4.43Å; Y143-L199 HydrophobicContact CD1-CD2 3.62Å; Y143-L199 HydrophobicContact CD2-CD2 3.83Å; Y143-L199 HydrophobicContact CE1-CD2 3.56Å; Y143-L199 HydrophobicContact CE2-CD2 3.81Å; Y143-L199 HydrophobicContact CG-CD2 3.76Å; Y143-P200 HydrophobicContact CE2-CG 4.12Å; Y143-P200 WeakPolarHBondContact OH-CD 3.4Å; Y143-L203 HydrophobicContact CD2-CD1 4.2Å; Y143-L203 HydrophobicContact CD2-CD2 4.19Å; Y143-L203 HydrophobicContact CE2-CD1 4.24Å; Y143-L203 HydrophobicContact CE2-CD2 4.13Å
144	G	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	154.4	-179.5	0	0	0	0	0	115.9	I123 S152 F153	I123-G144 CarbonylContact O-C 3.53Å; I123-G144 VanDerWaalsContact O-CA 3.23Å; I123-G144 WeakPolarHBondContact O-CA 3.22Å; G144-S152 CarbonylContact O-C 3.53Å; G144-S152 WeakPolarHBondContact O-CA 3.41Å; G144-F153 PolarHBondContact N-O 3.34Å; G144-F153 PolarHBondContact O-N 3.27Å
145	Y	98.9	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.1	175.4	168.3	-145.2	0	0	0	108.7	I123 Y162 P164 F166 I172 Y185 L192	I123-Y145 PolarHBondContact N-O 2.71Å; I123-Y145 PolarHBondContact O-N 3.02Å; Y145-Y162 HydrophobicContact CD1-CE1 4.2Å; Y145-Y162 AromaticContact CD2-CD1 3.74Å; Y145-Y162 HydrophobicContact CD2-CD1 3.74Å; Y145-Y162 HydrophobicContact CD2-CE1 4.15Å; Y145-Y162 HydrophobicContact CE1-CE1 4.42Å; Y145-Y162 HydrophobicContact CE2-CD1 4.02Å; Y145-Y162 HydrophobicContact CE2-CE1 4.39Å; Y145-Y162 HydrophobicContact CG-CD1 4.07Å; Y145-Y162 HydrophobicContact CG-CE1 4.07Å; Y145-P164 WeakPolarHBondContact CE2-O 3.37Å; Y145-P164 PolarHBondContact OH-O 3.02Å; Y145-F166 HydrophobicContact CD1-CD1 4.37Å; Y145-F166 AromaticContact CD1-CE1 3.83Å; Y145-F166 HydrophobicContact CD1-CE1 3.83Å; Y145-F166 HydrophobicContact CD2-CE1 4.08Å; Y145-F166 AromaticContact CE1-CD1 3.82Å; Y145-F166 HydrophobicContact CE1-CD1 3.82Å; Y145-F166 AromaticContact CE1-CE1 3.75Å; Y145-F166 HydrophobicContact CE1-CE1 3.75Å; Y145-F166 HydrophobicContact CE2-CD1 4.11Å; Y145-F166 AromaticContact CE2-CE1 3.98Å; Y145-F166 HydrophobicContact CE2-CE1 3.98Å; Y145-F166 AromaticContact CG-CE1 3.99Å; Y145-F166 HydrophobicContact CG-CE1 3.99Å; Y145-F166 AromaticContact CZ-CD1 3.66Å; Y145-F166 AromaticContact CZ-CE1 3.82Å; Y145-I172 HydrophobicContact CD1-CG2 3.87Å; Y145-I172 HydrophobicContact CE1-CD1 4.21Å; Y145-I172 HydrophobicContact CE1-CG2 3.94Å; Y145-Y185 AromaticContact CD1-CD1 3.64Å; Y145-Y185 HydrophobicContact CD1-CD1 3.64Å; Y145-Y185 HydrophobicContact CD1-CD2 4.21Å; Y145-Y185 HydrophobicContact CD1-CE1 4.33Å; Y145-Y185 AromaticContact CD1-CG 3.59Å; Y145-Y185 HydrophobicContact CD1-CG 3.59Å; Y145-Y185 HydrophobicContact CE1-CG 4.43Å; Y145-Y185 HydrophobicContact CG-CD1 4.3Å; Y145-Y185 HydrophobicContact CG-CD2 4.4Å; Y145-Y185 HydrophobicContact CG-CG 4.2Å; Y145-L192 HydrophobicContact CE1-CD1 3.66Å
146	H	98.8	Very high	97.8	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	141	-167.2	-70.9	-134.7	0	0	0	112.2	M121 P136 W138 G150 N151 F153	M121-H146 WeakPolarHBondContact O-CA 3.45Å; P136-H146 PolarHBondContact O-NE2 3.15Å; W138-H146 AromaticContact CD1-CE1 3.89Å; W138-H146 AromaticContact CE2-CE1 3.88Å; W138-H146 AromaticContact NE1-CE1 3.34Å; W138-H146 PolarHBondContact NE1-CE1 3.43Å; W138-H146 VanDerWaalsContact NE1-CE1 3.34Å; H146-G150 WeakPolarHBondContact O-CA 3.39Å; H146-G150 PolarHBondContact O-N 2.96Å; H146-G150 VanDerWaalsContact O-N 3.12Å; H146-N151 PolarHBondContact N-O 2.97Å; H146-F153 HydrophobicContact CB-CD2 4.29Å; H146-F153 HydrophobicContact CB-CE2 3.83Å; H146-F153 AromaticContact CD2-CD2 3.26Å; H146-F153 WeakPolarHBondContact CD2-CD2 3.47Å; H146-F153 AromaticContact CD2-CE2 3.65Å; H146-F153 AromaticContact CE1-CD2 3.97Å; H146-F153 AromaticContact CG-CD2 3.66Å; H146-F153 AromaticContact CG-CE2 3.51Å; H146-F153 AromaticContact ND1-CE2 3.82Å; H146-F153 AromaticContact NE2-CD2 3.5Å; H146-F153 WeakPolarHBondContact NE2-CD2 3.43Å; H146-F153 AromaticContact NE2-CG 3.88Å
147	G	98.4	Very high	97.6	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-28.8	-167.6	0	0	0	0	0	115.8	M121 T165 F166	M121-G147 PolarHBondContact O-N 3.34Å; G147-T165 CarbonylContact O-C 3.58Å; G147-T165 WeakPolarHBondContact O-CA 3.44Å; G147-T165 WeakPolarHBondContact O-CB 3.49Å; G147-F166 VanDerWaalsContact CA-CE1 3.49Å; G147-F166 VanDerWaalsContact CA-CE2 3.44Å; G147-F166 VanDerWaalsContact N-CZ 3.3Å; G147-F166 PolarHBondContact O-N 3.39Å
148	D	97.8	Very high	97.4	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-30.7	-174.3	58.6	-66.7	0	0	0	114.1	Y120 T165	Y120-D148 HydrophobicContact CD1-CB 3.71Å; Y120-D148 WeakPolarHBondContact CD1-OD2 3.19Å; Y120-D148 HydrophobicContact CE1-CB 4Å; Y120-D148 WeakPolarHBondContact CE1-OD2 3.41Å; D148-T165 VanDerWaalsContact O-CG2 3.28Å; D148-T165 WeakPolarHBondContact O-CG2 3.38Å
149	D	98.1	Very high	97.3	Very high	62 Å²	62	41 Å²	41	33%	0.332	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-18.2	-179.3	69.4	0.9	0	0	0	114.3	N151 F153	D149-N151 VanDerWaalsContact C-N 3.27Å; D149-N151 WeakPolarHBondContact OD1-CB 3.38Å; D149-N151 PolarHBondContact OD1-N 2.91Å; D149-N151 WeakPolarHBondContact OD2-CB 3.47Å; D149-N151 PolarHBondContact OD2-ND2 2.91Å; D149-F153 WeakPolarHBondContact OD2-CZ 3.43Å
150	G	98.6	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.			trans	77.5	7.4	-176.8	0	0	0	0	0	114.2	H146 G163	H146-G150 WeakPolarHBondContact O-CA 3.39Å; H146-G150 PolarHBondContact O-N 2.96Å; H146-G150 VanDerWaalsContact O-N 3.12Å; G150-G163 PolarHBondContact O-N 3.22Å
151	N	98.8	Very high	97.5	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	153.9	-175.7	-69.2	-41	0	0	0	112.4	H146 D149 F153 Q160 T161	H146-N151 PolarHBondContact N-O 2.97Å; D149-N151 VanDerWaalsContact C-N 3.27Å; D149-N151 WeakPolarHBondContact OD1-CB 3.38Å; D149-N151 PolarHBondContact OD1-N 2.91Å; D149-N151 WeakPolarHBondContact OD2-CB 3.47Å; D149-N151 PolarHBondContact OD2-ND2 2.91Å; N151-F153 HydrophobicContact CB-CD2 4.29Å; N151-F153 HydrophobicContact CB-CE2 3.7Å; N151-F153 HydrophobicContact CB-CZ 4.3Å; N151-Q160 CarbonylContact C-O 3.52Å; N151-Q160 WeakPolarHBondContact CA-O 3.31Å; N151-Q160 VanDerWaalsContact CB-O 3.31Å; N151-Q160 WeakPolarHBondContact CB-O 3.34Å; N151-Q160 VanDerWaalsContact OD1-C 3.28Å; N151-Q160 PolarHBondContact OD1-O 3.1Å; N151-T161 WeakPolarHBondContact OD1-CA 3.46Å; N151-T161 PolarHBondContact OD1-N 3.17Å
152	S	98.6	Very high	97.7	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.9	164	71.9	0	0	0	0	110.4	G144 G159 Q160	G144-S152 CarbonylContact O-C 3.53Å; G144-S152 WeakPolarHBondContact O-CA 3.41Å; S152-G159 CarbonylContact O-C 3.41Å; S152-G159 WeakPolarHBondContact O-CA 3.45Å; S152-Q160 PolarHBondContact N-O 3.19Å; S152-Q160 PolarHBondContact O-N 3.3Å
153	F	98.6	Very high	97.7	Very high	13 Å²	13	41.9 Å²	41.9	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122	-179.3	-68.3	-104.9	0	0	0	108.1	G137 W138 Y143 G144 H146 D149 N151 G157 G159 F196	G137-F153 WeakPolarHBondContact CA-O 3.35Å; W138-F153 AromaticContact CD1-CD1 3.44Å; W138-F153 VanDerWaalsContact CD1-CD1 3.44Å; W138-F153 AromaticContact CD1-CE1 3.85Å; W138-F153 AromaticContact CD1-CG 3.99Å; W138-F153 AromaticContact NE1-CD1 3.56Å; W138-F153 AromaticContact NE1-CE1 3.47Å; Y143-F153 WeakPolarHBondContact CA-O 3.42Å; G144-F153 PolarHBondContact N-O 3.34Å; G144-F153 PolarHBondContact O-N 3.27Å; H146-F153 HydrophobicContact CB-CD2 4.29Å; H146-F153 HydrophobicContact CB-CE2 3.83Å; H146-F153 AromaticContact CD2-CD2 3.26Å; H146-F153 WeakPolarHBondContact CD2-CD2 3.47Å; H146-F153 AromaticContact CD2-CE2 3.65Å; H146-F153 AromaticContact CE1-CD2 3.97Å; H146-F153 AromaticContact CG-CD2 3.66Å; H146-F153 AromaticContact CG-CE2 3.51Å; H146-F153 AromaticContact ND1-CE2 3.82Å; H146-F153 AromaticContact NE2-CD2 3.5Å; H146-F153 WeakPolarHBondContact NE2-CD2 3.43Å; H146-F153 AromaticContact NE2-CG 3.88Å; D149-F153 WeakPolarHBondContact OD2-CZ 3.43Å; N151-F153 HydrophobicContact CB-CD2 4.29Å; N151-F153 HydrophobicContact CB-CE2 3.7Å; N151-F153 HydrophobicContact CB-CZ 4.3Å; F153-G157 WeakPolarHBondContact CE1-O 3.42Å; F153-G159 VanDerWaalsContact CD1-CA 3.48Å; F153-G159 VanDerWaalsContact CE1-CA 3.43Å; F153-F196 WeakPolarHBondContact O-CE1 3.26Å; F153-F196 WeakPolarHBondContact O-CZ 3.4Å
154	S	97.9	Very high	97.7	Very high	59 Å²	59	43.9 Å²	43.9	41%	0.413	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	103.5	-176	-174.2	0	0	0	0	110	Y143 S156	Y143-S154 WeakPolarHBondContact CD1-OG 3.44Å; Y143-S154 WeakPolarHBondContact CE1-OG 3.08Å; S154-S156 VanDerWaalsContact O-CB 3.3Å; S154-S156 WeakPolarHBondContact O-CB 3.08Å; S154-S156 PolarHBondContact O-N 3.01Å
155	S	97.3	Very high	97.7	Very high	45 Å²	45	47.5 Å²	47.5	32%	0.315	29%	0.29	S	S	.	.	S	Bend	trans	49.7	27.6	-178.8	-67.7	0	0	0	0	115.7	G137 D139 Q141 S142	G137-S155 CarbonylContact O-C 3.58Å; G137-S155 WeakPolarHBondContact O-CA 3.45Å; G137-S155 PolarHBondContact O-N 3.29Å; G137-S155 VanDerWaalsContact O-N 3.13Å; D139-S155 WeakPolarHBondContact O-CA 3.36Å; Q141-S155 PolarHBondContact N-OG 2.92Å; S142-S155 PolarHBondContact O-N 3.11Å
156	S	95.4	Very high	97.7	Very high	44 Å²	44	47.9 Å²	47.9	31%	0.308	29%	0.292	S	S	.	.	S	Bend	trans	-156	141.3	-165.5	178.5	0	0	0	0	111.4	G137 S154 N158	G137-S156 PolarHBondContact O-N 3.13Å; G137-S156 VanDerWaalsContact O-O 3.05Å; S154-S156 VanDerWaalsContact O-CB 3.3Å; S154-S156 WeakPolarHBondContact O-CB 3.08Å; S154-S156 PolarHBondContact O-N 3.01Å; S156-N158 PolarHBondContact O-N 3.08Å; S156-N158 PolarHBondContact OG-N 3.11Å; S156-N158 VanDerWaalsContact OG-N 3.1Å
157	G	92.8	Very high	97.7	Very high	42 Å²	42	50.8 Å²	50.8	43%	0.433	31%	0.31	S	S	.	.	S	Bend	trans	-75	-6.7	170.2	0	0	0	0	0	114.4	F153	F153-G157 WeakPolarHBondContact CE1-O 3.42Å
158	N	94.8	Very high	97.7	Very high	127 Å²	127	54.2 Å²	54.2	68%	0.679	33%	0.331	S	S	*	.	S	Bend	trans	-96.9	104	176.7	-62.6	-4.9	0	0	0	109	S156	S156-N158 PolarHBondContact O-N 3.08Å; S156-N158 PolarHBondContact OG-N 3.11Å; S156-N158 VanDerWaalsContact OG-N 3.1Å
159	G	96	Very high	97.7	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	34%	0.339	C	S	.	.			trans	-68.7	161.2	177.1	0	0	0	0	0	112.9	S152 F153	S152-G159 CarbonylContact O-C 3.41Å; S152-G159 WeakPolarHBondContact O-CA 3.45Å; F153-G159 VanDerWaalsContact CD1-CA 3.48Å; F153-G159 VanDerWaalsContact CE1-CA 3.43Å
160	Q	97.8	Very high	97.8	Very high	131 Å²	131	51.4 Å²	51.4	61%	0.612	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	142.4	175.1	-60.8	-64.7	-79.5	0	0	109.8	N151 S152 Y162	N151-Q160 CarbonylContact C-O 3.52Å; N151-Q160 WeakPolarHBondContact CA-O 3.31Å; N151-Q160 VanDerWaalsContact CB-O 3.31Å; N151-Q160 WeakPolarHBondContact CB-O 3.34Å; N151-Q160 VanDerWaalsContact OD1-C 3.28Å; N151-Q160 PolarHBondContact OD1-O 3.1Å; S152-Q160 PolarHBondContact N-O 3.19Å; S152-Q160 PolarHBondContact O-N 3.3Å; Q160-Y162 PolarHBondContact O-N 2.91Å
161	T	98.3	Very high	97.8	Very high	135 Å²	135	52.3 Å²	52.3	83%	0.828	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	124.7	179.2	-51.2	0	0	0	0	110.8	N151	N151-T161 WeakPolarHBondContact OD1-CA 3.46Å; N151-T161 PolarHBondContact OD1-N 3.17Å
162	Y	98.7	Very high	97.8	Very high	41 Å²	41	50.8 Å²	50.8	16%	0.161	33%	0.325	C	S	.	.			trans	-135.1	-62.5	-172.9	168.9	-115.6	0	0	0	112.5	Y145 Q160 Y185 L192 G193 A195	Y145-Y162 HydrophobicContact CD1-CE1 4.2Å; Y145-Y162 AromaticContact CD2-CD1 3.74Å; Y145-Y162 HydrophobicContact CD2-CD1 3.74Å; Y145-Y162 HydrophobicContact CD2-CE1 4.15Å; Y145-Y162 HydrophobicContact CE1-CE1 4.42Å; Y145-Y162 HydrophobicContact CE2-CD1 4.02Å; Y145-Y162 HydrophobicContact CE2-CE1 4.39Å; Y145-Y162 HydrophobicContact CG-CD1 4.07Å; Y145-Y162 HydrophobicContact CG-CE1 4.07Å; Q160-Y162 PolarHBondContact O-N 2.91Å; Y162-Y185 AromaticContact CE1-CD2 3.77Å; Y162-Y185 HydrophobicContact CE1-CD2 3.77Å; Y162-Y185 HydrophobicContact CE1-CG 4.24Å; Y162-Y185 PolarHBondContact OH-N 3.01Å; Y162-L192 HydrophobicContact CE1-CB 4.35Å; Y162-L192 HydrophobicContact CE1-CD1 4.28Å; Y162-L192 WeakPolarHBondContact OH-CB 3.37Å; Y162-G193 VanDerWaalsContact CE2-O 3.3Å; Y162-G193 WeakPolarHBondContact CE2-O 3.21Å; Y162-G193 PolarHBondContact OH-O 3.16Å; Y162-A195 HydrophobicContact CD1-CB 4.41Å; Y162-A195 HydrophobicContact CD2-CB 4.04Å; Y162-A195 HydrophobicContact CE1-CB 4.01Å; Y162-A195 HydrophobicContact CE2-CB 3.62Å; Y162-A195 HydrophobicContact CG-CB 4.42Å
163	G	98.3	Very high	97.8	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	32%	0.32	C	S	.	.	S	Bend	trans	-131.5	-177.4	-172.8	0	0	0	0	0	113.2	G150	G150-G163 PolarHBondContact O-N 3.22Å
164	P	98.6	Very high	97.8	Very high	63 Å²	63	49.5 Å²	49.5	41%	0.409	32%	0.318	S	S	.	.			trans	-67.8	163.6	167.8	31.4	-35.9	0	0	0	111	Y145 K187 L192	Y145-P164 WeakPolarHBondContact CE2-O 3.37Å; Y145-P164 PolarHBondContact OH-O 3.02Å; P164-K187 HydrophobicContact CG-CD 3.75Å; P164-L192 HydrophobicContact CG-CD2 4.4Å
165	T	98.8	Very high	97.8	Very high	76 Å²	76	46.7 Å²	46.7	47%	0.466	30%	0.298	S	S	.	.			trans	-66.6	161.8	165	51.3	0	0	0	0	111.4	G147 D148 K187	G147-T165 CarbonylContact O-C 3.58Å; G147-T165 WeakPolarHBondContact O-CA 3.44Å; G147-T165 WeakPolarHBondContact O-CB 3.49Å; D148-T165 VanDerWaalsContact O-CG2 3.28Å; D148-T165 WeakPolarHBondContact O-CG2 3.38Å; T165-K187 PolarHBondContact O-NZ 2.65Å
166	F	98.8	Very high	97.8	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	28%	0.283	C	S	.	.			trans	-140.4	150.5	176.8	60.6	-105	0	0	0	114	I112 M121 I123 Y145 G147 D170 I172	I112-F166 HydrophobicContact CD1-CD2 3.92Å; I112-F166 HydrophobicContact CD1-CE2 3.94Å; I112-F166 HydrophobicContact CG1-CD2 4.02Å; M121-F166 HydrophobicContact CB-CE2 4.35Å; M121-F166 HydrophobicContact CE-CD2 4.28Å; M121-F166 HydrophobicContact CE-CE2 4.28Å; I123-F166 HydrophobicContact CD1-CE2 3.77Å; I123-F166 HydrophobicContact CD1-CZ 3.74Å; I123-F166 HydrophobicContact CG1-CE2 4.5Å; I123-F166 HydrophobicContact CG1-CZ 4.24Å; Y145-F166 HydrophobicContact CD1-CD1 4.37Å; Y145-F166 AromaticContact CD1-CE1 3.83Å; Y145-F166 HydrophobicContact CD1-CE1 3.83Å; Y145-F166 HydrophobicContact CD2-CE1 4.08Å; Y145-F166 AromaticContact CE1-CD1 3.82Å; Y145-F166 HydrophobicContact CE1-CD1 3.82Å; Y145-F166 AromaticContact CE1-CE1 3.75Å; Y145-F166 HydrophobicContact CE1-CE1 3.75Å; Y145-F166 HydrophobicContact CE2-CD1 4.11Å; Y145-F166 AromaticContact CE2-CE1 3.98Å; Y145-F166 HydrophobicContact CE2-CE1 3.98Å; Y145-F166 AromaticContact CG-CE1 3.99Å; Y145-F166 HydrophobicContact CG-CE1 3.99Å; Y145-F166 AromaticContact CZ-CD1 3.66Å; Y145-F166 AromaticContact CZ-CE1 3.82Å; G147-F166 VanDerWaalsContact CA-CE1 3.49Å; G147-F166 VanDerWaalsContact CA-CE2 3.44Å; G147-F166 VanDerWaalsContact N-CZ 3.3Å; G147-F166 PolarHBondContact O-N 3.39Å; F166-D170 VanDerWaalsContact CA-OD2 3.29Å; F166-D170 WeakPolarHBondContact CA-OD2 3.42Å; F166-D170 HydrophobicContact CB-CB 4.17Å; F166-I172 HydrophobicContact CB-CD1 3.7Å; F166-I172 HydrophobicContact CB-CG1 4.11Å; F166-I172 HydrophobicContact CD1-CD1 3.69Å; F166-I172 HydrophobicContact CD1-CG1 3.83Å; F166-I172 HydrophobicContact CD2-CD1 4.43Å; F166-I172 HydrophobicContact CD2-CG1 3.93Å; F166-I172 HydrophobicContact CE1-CD1 4.4Å; F166-I172 HydrophobicContact CE1-CG1 4.17Å; F166-I172 HydrophobicContact CE2-CG1 4.27Å; F166-I172 HydrophobicContact CG-CD1 3.71Å; F166-I172 HydrophobicContact CG-CG1 3.7Å; F166-I172 HydrophobicContact CZ-CG1 4.38Å
167	T	98.8	Very high	97.8	Very high	64 Å²	64	43.3 Å²	43.3	39%	0.393	27%	0.273	S	S	.	.			trans	-151.3	-178.4	-164.9	-166.9	0	0	0	0	112.1	I112 K115 G169 D170	I112-T167 WeakPolarHBondContact CB-O 3.49Å; K115-T167 WeakPolarHBondContact CG-OG1 3.31Å; T167-G169 PolarHBondContact O-N 3.5Å; T167-D170 PolarHBondContact N-OD2 2.93Å; T167-D170 VanDerWaalsContact O-CB 3.29Å; T167-D170 WeakPolarHBondContact O-CB 3.21Å; T167-D170 PolarHBondContact O-N 3.45Å
168	T	98.8	Very high	97.8	Very high	75 Å²	75	41.5 Å²	41.5	46%	0.46	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	123.7	177	-58.5	0	0	0	0	112.5	K115	K115-T168 PolarHBondContact N-OG1 3.29Å
169	G	98.6	Very high	97.6	Very high	52 Å²	52	37.5 Å²	37.5	54%	0.536	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-14.9	-179.8	0	0	0	0	0	115.1	I112 T167	I112-G169 PolarHBondContact O-N 3.46Å; T167-G169 PolarHBondContact O-N 3.5Å
170	D	98.9	Very high	97.4	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.107	25%	0.245	C	C	.	.			trans	-70.7	149.2	172.2	-73	-46.2	0	0	0	111.8	I112 F166 T167 K187 N188	I112-D170 HydrophobicContact CG1-CB 4.39Å; I112-D170 PolarHBondContact N-O 3.46Å; F166-D170 VanDerWaalsContact CA-OD2 3.29Å; F166-D170 WeakPolarHBondContact CA-OD2 3.42Å; F166-D170 HydrophobicContact CB-CB 4.17Å; T167-D170 PolarHBondContact N-OD2 2.93Å; T167-D170 VanDerWaalsContact O-CB 3.29Å; T167-D170 WeakPolarHBondContact O-CB 3.21Å; T167-D170 PolarHBondContact O-N 3.45Å; D170-K187 VanDerWaalsContact CG-NZ 3.29Å; D170-K187 WeakPolarHBondContact OD1-CE 3.49Å; D170-K187 IonicContact OD1-NZ 2.76Å; D170-K187 PolarHBondContact OD1-NZ 3.23Å; D170-K187 WeakPolarHBondContact OD2-CE 3.3Å; D170-K187 IonicContact OD2-NZ 2.75Å; D170-K187 PolarHBondContact OD2-NZ 2.98Å; D170-N188 PolarHBondContact OD1-ND2 3.47Å
171	V	98.9	Very high	97.2	Very high	18 Å²	18	36.9 Å²	36.9	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.6	166.2	-178.1	0	0	0	0	108	E109 R111 N188 K226	E109-V171 HydrophobicContact CB-CG1 3.87Å; E109-V171 HydrophobicContact CG-CG1 4.16Å; R111-V171 HydrophobicContact CB-CG2 4.13Å; R111-V171 HydrophobicContact CG-CG2 4.08Å; V171-N188 PolarHBondContact N-OD1 2.96Å; V171-N188 PolarHBondContact O-N 2.93Å; V171-K226 HydrophobicContact CB-CD 3.93Å; V171-K226 HydrophobicContact CG1-CB 4.42Å; V171-K226 HydrophobicContact CG1-CD 4.49Å; V171-K226 HydrophobicContact CG2-CD 3.9Å
172	I	98.9	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.4	179.4	-56.8	-60.4	0	0	0	108.8	V110 I123 Y145 F166 Y185 T186 K187	V110-I172 PolarHBondContact N-O 2.7Å; V110-I172 PolarHBondContact O-N 2.75Å; I123-I172 HydrophobicContact CD1-CB 3.71Å; I123-I172 HydrophobicContact CD1-CG1 4.04Å; I123-I172 HydrophobicContact CD1-CG2 3.9Å; Y145-I172 HydrophobicContact CD1-CG2 3.87Å; Y145-I172 HydrophobicContact CE1-CD1 4.21Å; Y145-I172 HydrophobicContact CE1-CG2 3.94Å; F166-I172 HydrophobicContact CB-CD1 3.7Å; F166-I172 HydrophobicContact CB-CG1 4.11Å; F166-I172 HydrophobicContact CD1-CD1 3.69Å; F166-I172 HydrophobicContact CD1-CG1 3.83Å; F166-I172 HydrophobicContact CD2-CD1 4.43Å; F166-I172 HydrophobicContact CD2-CG1 3.93Å; F166-I172 HydrophobicContact CE1-CD1 4.4Å; F166-I172 HydrophobicContact CE1-CG1 4.17Å; F166-I172 HydrophobicContact CE2-CG1 4.27Å; F166-I172 HydrophobicContact CG-CD1 3.71Å; F166-I172 HydrophobicContact CG-CG1 3.7Å; F166-I172 HydrophobicContact CZ-CG1 4.38Å; I172-Y185 HydrophobicContact CG2-CD1 4.04Å; I172-T186 CarbonylContact C-O 3.59Å; I172-T186 VanDerWaalsContact CA-O 3.32Å; I172-T186 WeakPolarHBondContact CA-O 3.34Å; I172-K187 HydrophobicContact CD1-CB 3.95Å; I172-K187 HydrophobicContact CD1-CD 4.12Å; I172-K187 HydrophobicContact CD1-CG 3.75Å
173	G	98.8	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	150.7	172.3	0	0	0	0	0	112.1	Y107 F108 Y185 T186	Y107-G173 WeakPolarHBondContact OH-CA 3.25Å; F108-G173 CarbonylContact O-C 3.58Å; F108-G173 WeakPolarHBondContact O-CA 3.41Å; G173-Y185 CarbonylContact O-C 3.4Å; G173-Y185 WeakPolarHBondContact O-CA 3.35Å; G173-Y185 VanDerWaalsContact O-CB 3.31Å; G173-Y185 WeakPolarHBondContact O-CB 3.1Å; G173-Y185 VanDerWaalsContact O-CD1 3.24Å; G173-Y185 WeakPolarHBondContact O-CD1 3.18Å; G173-T186 WeakPolarHBondContact CA-OG1 3.18Å; G173-T186 PolarHBondContact N-O 2.97Å; G173-T186 PolarHBondContact N-OG1 2.79Å; G173-T186 PolarHBondContact O-N 3.33Å
174	C	98.8	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.5	171.8	177.5	0	0	0	0	108.6	Y107 F108 Y185	Y107-C174 WeakPolarHBondContact CD2-O 3.3Å; F108-C174 HydrophobicContact CD1-CB 4.02Å; F108-C174 HydrophobicContact CE1-CB 3.46Å; F108-C174 VanDerWaalsContact CE1-CB 3.46Å; F108-C174 HydrophobicContact CE2-CB 4.33Å; F108-C174 HydrophobicContact CZ-CB 3.63Å; F108-C174 PolarHBondContact N-O 2.92Å; F108-C174 PolarHBondContact O-N 3.19Å; C174-Y185 HydrophobicContact CB-CD1 3.91Å; C174-Y185 HydrophobicContact CB-CE1 3.71Å
175	C	98.4	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.1	-179.9	-157	0	0	0	0	110.6	L105 Y106 Y107 C183 F184	L105-C175 VanDerWaalsContact CD1-SG 3.57Å; Y106-C175 CarbonylContact O-C 3.57Å; Y106-C175 WeakPolarHBondContact O-CA 3.49Å; Y107-C175 HydrophobicContact CD2-CB 3.68Å; Y107-C175 HydrophobicContact CE2-CB 4.27Å; C175-C183 WeakPolarHBondContact O-CA 3.39Å; C175-C183 WeakPolarHBondContact O-CB 3.28Å; C175-C183 PolarHBondContact O-SG 3.42Å; C175-F184 HydrophobicContact CB-CD1 3.72Å; C175-F184 HydrophobicContact CB-CD2 3.99Å; C175-F184 HydrophobicContact CB-CE1 3.37Å; C175-F184 HydrophobicContact CB-CE2 3.66Å; C175-F184 HydrophobicContact CB-CG 4.02Å; C175-F184 HydrophobicContact CB-CZ 3.34Å; C175-F184 PolarHBondContact N-O 3.43Å; C175-F184 PolarHBondContact O-N 3.48Å; C175-F184 VanDerWaalsContact O-N 3.13Å; C175-F184 WeakPolarHBondContact SG-CE1 3.32Å; C175-F184 VanDerWaalsContact SG-CZ 3.51Å
176	V	97.6	Very high	97.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.5	-179.7	-166.6	0	0	0	0	109.1	I99 L105 Y106 L125 F178 L199	I99-V176 HydrophobicContact CD1-CB 4.33Å; I99-V176 HydrophobicContact CD1-CG2 3.79Å; L105-V176 CarbonylContact C-O 3.58Å; L105-V176 WeakPolarHBondContact CA-O 3.37Å; Y106-V176 PolarHBondContact N-O 3.27Å; Y106-V176 PolarHBondContact O-N 2.97Å; L125-V176 HydrophobicContact CD1-CG1 4.38Å; L125-V176 HydrophobicContact CD1-CG2 3.63Å; L125-V176 HydrophobicContact CD2-CG2 3.82Å; L125-V176 HydrophobicContact CG-CG2 4.33Å; V176-F178 HydrophobicContact CB-CE2 4.26Å; V176-F178 HydrophobicContact CB-CZ 4.27Å; V176-F178 HydrophobicContact CG1-CE1 4.04Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; V176-F178 HydrophobicContact CG1-CZ 3.65Å; V176-L199 HydrophobicContact CG1-CD1 4.22Å
177	N	95.3	Very high	97.2	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.2	-179.3	-175.5	-39.3	0	0	0	109.3	L105 V179 N180 N181 T182	L105-N177 HydrophobicContact CD1-CB 3.64Å; N177-V179 WeakPolarHBondContact OD1-CB 3.3Å; N177-V179 PolarHBondContact OD1-N 3.09Å; N177-N180 WeakPolarHBondContact CB-OD1 3.34Å; N177-N180 PolarHBondContact OD1-N 3.49Å; N177-N180 PolarHBondContact OD1-OD1 3.23Å; N177-N181 CarbonylContact O-C 3.44Å; N177-N181 WeakPolarHBondContact O-CA 3.42Å; N177-N181 PolarHBondContact O-N 3.33Å; N177-T182 PolarHBondContact N-O 3.07Å; N177-T182 PolarHBondContact O-N 2.96Å; N177-T182 VanDerWaalsContact O-N 3.09Å
178	F	92.3	Very high	97.2	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.022	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.2	-177.9	-64.7	-77.3	0	0	0	113.1	I99 G104 V176 N180	I99-F178 HydrophobicContact CB-CE2 4.35Å; I99-F178 HydrophobicContact CB-CZ 3.84Å; I99-F178 HydrophobicContact CD1-CZ 4.46Å; I99-F178 HydrophobicContact CG2-CE2 3.48Å; I99-F178 VanDerWaalsContact CG2-CE2 3.48Å; I99-F178 HydrophobicContact CG2-CZ 3.48Å; I99-F178 VanDerWaalsContact CG2-CZ 3.48Å; G104-F178 PolarHBondContact O-N 3.02Å; V176-F178 HydrophobicContact CB-CE2 4.26Å; V176-F178 HydrophobicContact CB-CZ 4.27Å; V176-F178 HydrophobicContact CG1-CE1 4.04Å; V176-F178 HydrophobicContact CG1-CE2 4.01Å; V176-F178 HydrophobicContact CG1-CZ 3.65Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.92Å
179	V	90.1	Very high	97.2	Very high	42 Å²	42	20 Å²	20	26%	0.255	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.6	175.3	176	0	0	0	0	111.9	N177 M237 G584 E585 F588	N177-V179 WeakPolarHBondContact OD1-CB 3.3Å; N177-V179 PolarHBondContact OD1-N 3.09Å; V179-M237 HydrophobicContact CB-CE 3.99Å; V179-M237 HydrophobicContact CG2-CE 3.48Å; V179-M237 VanDerWaalsContact CG2-CE 3.48Å; V179-G584 WeakPolarHBondContact CG2-O 3.42Å; V179-E585 HydrophobicContact CB-CG 4.33Å; V179-E585 HydrophobicContact CG1-CG 3.65Å; V179-E585 VanDerWaalsContact CG1-OE1 3.31Å; V179-E585 WeakPolarHBondContact CG1-OE1 3.42Å; V179-E585 HydrophobicContact CG2-CG 3.99Å; V179-F588 HydrophobicContact CG2-CD2 4.24Å; V179-F588 HydrophobicContact CG2-CE2 3.81Å
180	N	91.9	Very high	97.2	Very high	81 Å²	81	22 Å²	22	43%	0.433	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	8.6	-178.7	64.8	23.7	0	0	0	114.1	N177 F178 T182	N177-N180 WeakPolarHBondContact CB-OD1 3.34Å; N177-N180 PolarHBondContact OD1-N 3.49Å; N177-N180 PolarHBondContact OD1-OD1 3.23Å; F178-N180 VanDerWaalsContact C-N 3.28Å; F178-N180 PolarHBondContact O-N 2.92Å; N180-T182 VanDerWaalsContact C-N 3.3Å; N180-T182 WeakPolarHBondContact O-CG2 3.19Å; N180-T182 PolarHBondContact O-N 3.07Å; N180-T182 WeakPolarHBondContact OD1-CB 3.33Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.49Å; N180-T182 PolarHBondContact OD1-N 2.86Å; N180-T182 PolarHBondContact OD1-OG1 2.64Å
181	N	94.4	Very high	97.1	Very high	56 Å²	56	24.9 Å²	24.9	30%	0.299	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	43	-180	-62.3	-64.5	0	0	0	114.1	N177 R197 D198 L199	N177-N181 CarbonylContact O-C 3.44Å; N177-N181 WeakPolarHBondContact O-CA 3.42Å; N177-N181 PolarHBondContact O-N 3.33Å; N181-R197 CarbonylContact O-C 3.59Å; N181-D198 PolarHBondContact O-N 3.37Å; N181-L199 HydrophobicContact CB-CB 4.46Å; N181-L199 PolarHBondContact O-N 2.98Å
182	T	97.4	Very high	97.1	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	161.8	177.1	66.7	0	0	0	0	113.2	N177 N180 I194 F196 R197	N177-T182 PolarHBondContact N-O 3.07Å; N177-T182 PolarHBondContact O-N 2.96Å; N177-T182 VanDerWaalsContact O-N 3.09Å; N180-T182 VanDerWaalsContact C-N 3.3Å; N180-T182 WeakPolarHBondContact O-CG2 3.19Å; N180-T182 PolarHBondContact O-N 3.07Å; N180-T182 WeakPolarHBondContact OD1-CB 3.33Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.49Å; N180-T182 PolarHBondContact OD1-N 2.86Å; N180-T182 PolarHBondContact OD1-OG1 2.64Å; T182-I194 HydrophobicContact CG2-CD1 4.39Å; T182-I194 HydrophobicContact CG2-CG2 4.25Å; T182-F196 CarbonylContact C-O 3.52Å; T182-F196 VanDerWaalsContact CA-O 3.24Å; T182-F196 WeakPolarHBondContact CA-O 3.32Å; T182-F196 WeakPolarHBondContact CB-O 3.41Å; T182-R197 HydrophobicContact CG2-CB 4.45Å; T182-R197 HydrophobicContact CG2-CG 4.07Å
183	C	98.4	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.9	168.2	165.6	0	0	0	0	110.8	L125 C175 I194 A195 F196 L199	L125-C183 HydrophobicContact CD1-CB 4.32Å; C175-C183 WeakPolarHBondContact O-CA 3.39Å; C175-C183 WeakPolarHBondContact O-CB 3.28Å; C175-C183 PolarHBondContact O-SG 3.42Å; C183-I194 CarbonylContact O-C 3.54Å; C183-A195 PolarHBondContact O-N 3.44Å; C183-F196 HydrophobicContact CB-CB 4.33Å; C183-F196 HydrophobicContact CB-CD2 4.15Å; C183-F196 PolarHBondContact N-O 3.08Å; C183-F196 PolarHBondContact O-N 2.94Å; C183-F196 VanDerWaalsContact O-N 3.12Å; C183-L199 HydrophobicContact CB-CD1 3.59Å
184	F	98.7	Very high	97.1	Very high	14 Å²	14	31 Å²	31	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.6	169.5	69.6	-92.8	0	0	0	109.8	C175 T186 D191 G193 F227 M233	C175-F184 HydrophobicContact CB-CD1 3.72Å; C175-F184 HydrophobicContact CB-CD2 3.99Å; C175-F184 HydrophobicContact CB-CE1 3.37Å; C175-F184 HydrophobicContact CB-CE2 3.66Å; C175-F184 HydrophobicContact CB-CG 4.02Å; C175-F184 HydrophobicContact CB-CZ 3.34Å; C175-F184 PolarHBondContact N-O 3.43Å; C175-F184 PolarHBondContact O-N 3.48Å; C175-F184 VanDerWaalsContact O-N 3.13Å; C175-F184 WeakPolarHBondContact SG-CE1 3.32Å; C175-F184 VanDerWaalsContact SG-CZ 3.51Å; F184-T186 HydrophobicContact CD2-CG2 4.33Å; F184-T186 HydrophobicContact CE2-CG2 3.96Å; F184-D191 WeakPolarHBondContact CD2-OD1 3.39Å; F184-G193 WeakPolarHBondContact CB-O 3.43Å; F184-F227 HydrophobicContact CE2-CE1 4.13Å; F184-F227 HydrophobicContact CE2-CZ 4.23Å; F184-F227 HydrophobicContact CZ-CE1 4.16Å; F184-F227 HydrophobicContact CZ-CZ 4.44Å; F184-M233 HydrophobicContact CE1-CE 3.85Å; F184-M233 HydrophobicContact CZ-CE 3.75Å; F184-M233 HydrophobicContact CZ-SD 4.11Å
185	Y	98.9	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	156.1	172.8	-66.5	-99	0	0	0	110.4	I123 G124 Y145 Y162 I172 G173 C174 L192 A195 F196	I123-Y185 HydrophobicContact CG2-CE1 4.4Å; I123-Y185 WeakPolarHBondContact O-CE1 3.32Å; I123-Y185 PolarHBondContact O-OH 3.4Å; G124-Y185 WeakPolarHBondContact CA-OH 3.37Å; Y145-Y185 AromaticContact CD1-CD1 3.64Å; Y145-Y185 HydrophobicContact CD1-CD1 3.64Å; Y145-Y185 HydrophobicContact CD1-CD2 4.21Å; Y145-Y185 HydrophobicContact CD1-CE1 4.33Å; Y145-Y185 AromaticContact CD1-CG 3.59Å; Y145-Y185 HydrophobicContact CD1-CG 3.59Å; Y145-Y185 HydrophobicContact CE1-CG 4.43Å; Y145-Y185 HydrophobicContact CG-CD1 4.3Å; Y145-Y185 HydrophobicContact CG-CD2 4.4Å; Y145-Y185 HydrophobicContact CG-CG 4.2Å; Y162-Y185 AromaticContact CE1-CD2 3.77Å; Y162-Y185 HydrophobicContact CE1-CD2 3.77Å; Y162-Y185 HydrophobicContact CE1-CG 4.24Å; Y162-Y185 PolarHBondContact OH-N 3.01Å; I172-Y185 HydrophobicContact CG2-CD1 4.04Å; G173-Y185 CarbonylContact O-C 3.4Å; G173-Y185 WeakPolarHBondContact O-CA 3.35Å; G173-Y185 VanDerWaalsContact O-CB 3.31Å; G173-Y185 WeakPolarHBondContact O-CB 3.1Å; G173-Y185 VanDerWaalsContact O-CD1 3.24Å; G173-Y185 WeakPolarHBondContact O-CD1 3.18Å; C174-Y185 HydrophobicContact CB-CD1 3.91Å; C174-Y185 HydrophobicContact CB-CE1 3.71Å; Y185-L192 WeakPolarHBondContact O-CB 3.35Å; Y185-L192 PolarHBondContact O-N 3.21Å; Y185-A195 HydrophobicContact CD2-CB 3.83Å; Y185-A195 HydrophobicContact CE2-CB 3.85Å; Y185-F196 HydrophobicContact CE2-CD2 4.25Å; Y185-F196 AromaticContact CE2-CE2 3.7Å; Y185-F196 HydrophobicContact CE2-CE2 3.7Å
186	T	98.9	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151	166.2	77.2	0	0	0	0	109.3	Y107 I172 G173 F184 V190 F227	Y107-T186 HydrophobicContact CE2-CG2 3.98Å; Y107-T186 PolarHBondContact OH-OG1 3.37Å; I172-T186 CarbonylContact C-O 3.59Å; I172-T186 VanDerWaalsContact CA-O 3.32Å; I172-T186 WeakPolarHBondContact CA-O 3.34Å; G173-T186 WeakPolarHBondContact CA-OG1 3.18Å; G173-T186 PolarHBondContact N-O 2.97Å; G173-T186 PolarHBondContact N-OG1 2.79Å; G173-T186 PolarHBondContact O-N 3.33Å; F184-T186 HydrophobicContact CD2-CG2 4.33Å; F184-T186 HydrophobicContact CE2-CG2 3.96Å; T186-V190 CarbonylContact C-O 3.53Å; T186-V190 WeakPolarHBondContact CA-O 3.41Å; T186-V190 WeakPolarHBondContact CB-O 3.48Å; T186-F227 HydrophobicContact CG2-CB 4.16Å; T186-F227 HydrophobicContact CG2-CD1 4Å; T186-F227 HydrophobicContact CG2-CD2 3.92Å; T186-F227 HydrophobicContact CG2-CE1 4.32Å; T186-F227 HydrophobicContact CG2-CE2 4.23Å; T186-F227 HydrophobicContact CG2-CG 3.79Å; T186-F227 HydrophobicContact CG2-CZ 4.42Å
187	K	98.8	Very high	97	Very high	35 Å²	35	39.4 Å²	39.4	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.6	163.4	-178.2	169.4	-169	-174.6	0	109.5	P164 T165 D170 I172 G189 V190 L192	P164-K187 HydrophobicContact CG-CD 3.75Å; T165-K187 PolarHBondContact O-NZ 2.65Å; D170-K187 VanDerWaalsContact CG-NZ 3.29Å; D170-K187 WeakPolarHBondContact OD1-CE 3.49Å; D170-K187 IonicContact OD1-NZ 2.76Å; D170-K187 PolarHBondContact OD1-NZ 3.23Å; D170-K187 WeakPolarHBondContact OD2-CE 3.3Å; D170-K187 IonicContact OD2-NZ 2.75Å; D170-K187 PolarHBondContact OD2-NZ 2.98Å; I172-K187 HydrophobicContact CD1-CB 3.95Å; I172-K187 HydrophobicContact CD1-CD 4.12Å; I172-K187 HydrophobicContact CD1-CG 3.75Å; K187-G189 PolarHBondContact O-N 3.17Å; K187-V190 PolarHBondContact N-O 2.95Å; K187-V190 WeakPolarHBondContact O-CB 3.35Å; K187-V190 PolarHBondContact O-N 3.43Å; K187-L192 HydrophobicContact CB-CD1 4.09Å; K187-L192 HydrophobicContact CB-CD2 4.21Å; K187-L192 HydrophobicContact CB-CG 4.39Å
188	N	98.6	Very high	97	Very high	54 Å²	54	45.3 Å²	45.3	29%	0.289	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.7	177.1	-67.9	-46.9	0	0	0	115	D170 V171 K226	D170-N188 PolarHBondContact OD1-ND2 3.47Å; V171-N188 PolarHBondContact N-OD1 2.96Å; V171-N188 PolarHBondContact O-N 2.93Å; N188-K226 WeakPolarHBondContact O-CE 3.41Å; N188-K226 PolarHBondContact OD1-NZ 3.39Å
189	G	98	Very high	97.1	Very high	18 Å²	18	45.6 Å²	45.6	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	3.6	-176	0	0	0	0	0	114.8	K187 K226 F227	K187-G189 PolarHBondContact O-N 3.17Å; G189-K226 WeakPolarHBondContact CA-O 3.34Å; G189-F227 WeakPolarHBondContact O-CD2 3.43Å
190	V	98.4	Very high	97.2	Very high	96 Å²	96	45.6 Å²	45.6	58%	0.582	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.7	174	-174.8	0	0	0	0	109.5	T186 K187	T186-V190 CarbonylContact C-O 3.53Å; T186-V190 WeakPolarHBondContact CA-O 3.41Å; T186-V190 WeakPolarHBondContact CB-O 3.48Å; K187-V190 PolarHBondContact N-O 2.95Å; K187-V190 WeakPolarHBondContact O-CB 3.35Å; K187-V190 PolarHBondContact O-N 3.43Å
191	D	98.4	Very high	97	Very high	79 Å²	79	44.9 Å²	44.9	42%	0.422	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	134.8	172.2	177.7	18.7	0	0	0	111.1	F184 G193 F227	F184-D191 WeakPolarHBondContact CD2-OD1 3.39Å; D191-G193 PolarHBondContact OD1-N 2.97Å; D191-F227 HydrophobicContact CB-CE2 4.35Å
192	L	98.7	Very high	96.9	Very high	46 Å²	46	49.3 Å²	49.3	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-2	178.4	-57.1	178.8	0	0	0	112.9	Y145 Y162 P164 Y185 K187	Y145-L192 HydrophobicContact CE1-CD1 3.66Å; Y162-L192 HydrophobicContact CE1-CB 4.35Å; Y162-L192 HydrophobicContact CE1-CD1 4.28Å; Y162-L192 WeakPolarHBondContact OH-CB 3.37Å; P164-L192 HydrophobicContact CG-CD2 4.4Å; Y185-L192 WeakPolarHBondContact O-CB 3.35Å; Y185-L192 PolarHBondContact O-N 3.21Å; K187-L192 HydrophobicContact CB-CD1 4.09Å; K187-L192 HydrophobicContact CB-CD2 4.21Å; K187-L192 HydrophobicContact CB-CG 4.39Å
193	G	98.4	Very high	96.9	Very high	26 Å²	26	49 Å²	49	27%	0.268	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.9	174.6	-177.2	0	0	0	0	0	113.8	Y162 F184 D191 A195	Y162-G193 VanDerWaalsContact CE2-O 3.3Å; Y162-G193 WeakPolarHBondContact CE2-O 3.21Å; Y162-G193 PolarHBondContact OH-O 3.16Å; F184-G193 WeakPolarHBondContact CB-O 3.43Å; D191-G193 PolarHBondContact OD1-N 2.97Å; G193-A195 PolarHBondContact O-N 2.92Å
194	I	98.6	Very high	96.9	Very high	74 Å²	74	50.1 Å²	50.1	38%	0.379	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	115.6	-170.7	-64.3	167.6	0	0	0	111.3	T182 C183 F196 R197	T182-I194 HydrophobicContact CG2-CD1 4.39Å; T182-I194 HydrophobicContact CG2-CG2 4.25Å; C183-I194 CarbonylContact O-C 3.54Å; I194-F196 WeakPolarHBondContact CG2-O 3.36Å; I194-R197 HydrophobicContact CG2-CG 3.94Å
195	A	98.4	Very high	96.9	Very high	19 Å²	19	49.4 Å²	49.4	16%	0.157	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-40.4	172.8	0	0	0	0	0	112.2	Y162 C183 Y185 G193	Y162-A195 HydrophobicContact CD1-CB 4.41Å; Y162-A195 HydrophobicContact CD2-CB 4.04Å; Y162-A195 HydrophobicContact CE1-CB 4.01Å; Y162-A195 HydrophobicContact CE2-CB 3.62Å; Y162-A195 HydrophobicContact CG-CB 4.42Å; C183-A195 PolarHBondContact O-N 3.44Å; Y185-A195 HydrophobicContact CD2-CB 3.83Å; Y185-A195 HydrophobicContact CE2-CB 3.85Å; G193-A195 PolarHBondContact O-N 2.92Å
196	F	98.3	Very high	96.9	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149	-171.2	-51.3	-57	0	0	0	112.1	Y143 F153 T182 C183 Y185 I194 L199	Y143-F196 HydrophobicContact CD1-CB 4.38Å; Y143-F196 HydrophobicContact CD1-CD1 4.09Å; Y143-F196 HydrophobicContact CD1-CD2 4.34Å; Y143-F196 HydrophobicContact CD1-CG 4Å; Y143-F196 HydrophobicContact CG-CD2 4.43Å; F153-F196 WeakPolarHBondContact O-CE1 3.26Å; F153-F196 WeakPolarHBondContact O-CZ 3.4Å; T182-F196 CarbonylContact C-O 3.52Å; T182-F196 VanDerWaalsContact CA-O 3.24Å; T182-F196 WeakPolarHBondContact CA-O 3.32Å; T182-F196 WeakPolarHBondContact CB-O 3.41Å; C183-F196 HydrophobicContact CB-CB 4.33Å; C183-F196 HydrophobicContact CB-CD2 4.15Å; C183-F196 PolarHBondContact N-O 3.08Å; C183-F196 PolarHBondContact O-N 2.94Å; C183-F196 VanDerWaalsContact O-N 3.12Å; Y185-F196 HydrophobicContact CE2-CD2 4.25Å; Y185-F196 AromaticContact CE2-CE2 3.7Å; Y185-F196 HydrophobicContact CE2-CE2 3.7Å; I194-F196 WeakPolarHBondContact CG2-O 3.36Å; F196-L199 HydrophobicContact CB-CD2 3.89Å; F196-L199 HydrophobicContact CB-CG 4.36Å
197	R	96.9	Very high	96.9	Very high	151 Å²	151	49.4 Å²	49.4	57%	0.57	26%	0.262	S	S	*	.			trans	-131.2	167.7	175.3	-58.4	-175.3	177.7	-81.5	-2.9	108.9	N181 T182 I194 L199	N181-R197 CarbonylContact O-C 3.59Å; T182-R197 HydrophobicContact CG2-CB 4.45Å; T182-R197 HydrophobicContact CG2-CG 4.07Å; I194-R197 HydrophobicContact CG2-CG 3.94Å; R197-L199 PolarHBondContact O-N 3.47Å
198	D	94.8	Very high	96.9	Very high	142 Å²	142	47.8 Å²	47.8	76%	0.759	26%	0.255	S	S	*	.	S	Bend	trans	55.3	37.8	174.2	-46.2	-57.9	0	0	0	112.5	N181	N181-D198 PolarHBondContact O-N 3.37Å
199	L	94.4	Very high	96.9	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.2	140.2	-179.4	-70.2	-179.9	0	0	0	111.9	L125 Y143 V176 N181 C183 F196 R197 L203	L125-L199 HydrophobicContact CD1-CD1 4.18Å; Y143-L199 HydrophobicContact CD1-CD2 3.62Å; Y143-L199 HydrophobicContact CD2-CD2 3.83Å; Y143-L199 HydrophobicContact CE1-CD2 3.56Å; Y143-L199 HydrophobicContact CE2-CD2 3.81Å; Y143-L199 HydrophobicContact CG-CD2 3.76Å; V176-L199 HydrophobicContact CG1-CD1 4.22Å; N181-L199 HydrophobicContact CB-CB 4.46Å; N181-L199 PolarHBondContact O-N 2.98Å; C183-L199 HydrophobicContact CB-CD1 3.59Å; F196-L199 HydrophobicContact CB-CD2 3.89Å; F196-L199 HydrophobicContact CB-CG 4.36Å; R197-L199 PolarHBondContact O-N 3.47Å; L199-L203 HydrophobicContact CB-CD1 4.2Å; L199-L203 HydrophobicContact CD1-CD1 4.37Å; L199-L203 HydrophobicContact CD2-CD1 4.21Å
200	P	92.3	Very high	96.9	Very high	41 Å²	41	44.6 Å²	44.6	27%	0.266	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-72	155.9	169	31.8	-35.8	0	0	0	111.2	Y143 L203	Y143-P200 HydrophobicContact CE2-CG 4.12Å; Y143-P200 WeakPolarHBondContact OH-CD 3.4Å; P200-L203 HydrophobicContact CG-CD1 4.3Å; P200-L203 HydrophobicContact CG-CD2 4.16Å; P200-L203 HydrophobicContact CG-CG 4.28Å; P200-L203 WeakPolarHBondContact O-CD1 3.23Å; P200-L203 WeakPolarHBondContact O-CG 3.34Å
201	T	87.1	Confident	96.9	Very high	66 Å²	66	40.1 Å²	40.1	41%	0.405	21%	0.207	S	C	.	.	S	Bend	trans	-72.2	170.1	170.9	59.6	0	0	0	0	111.9	L203	T201-L203 PolarHBondContact O-N 3.34Å
202	K	91.8	Very high	96.9	Very high	149 Å²	149	38.2 Å²	38.2	65%	0.648	20%	0.199	S	C	*	.	S	Bend	trans	59.6	39.2	177.4	-55	-176.2	-179.9	-177.1	0	114.3	P98	P98-K202 HydrophobicContact CB-CB 4.31Å
203	L	97.2	Very high	96.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.206	C	C	.	.			trans	-81.2	147.5	170.2	-72.4	172.2	0	0	0	111.7	P98 I99 L125 A127 Y143 L199 P200 T201	P98-L203 WeakPolarHBondContact CA-O 3.39Å; I99-L203 PolarHBondContact N-O 3.42Å; L125-L203 HydrophobicContact CB-CB 4.23Å; L125-L203 HydrophobicContact CB-CD1 4.13Å; L125-L203 HydrophobicContact CB-CD2 4.43Å; L125-L203 HydrophobicContact CD1-CD1 4.05Å; A127-L203 HydrophobicContact CB-CD2 4.46Å; Y143-L203 HydrophobicContact CD2-CD1 4.2Å; Y143-L203 HydrophobicContact CD2-CD2 4.19Å; Y143-L203 HydrophobicContact CE2-CD1 4.24Å; Y143-L203 HydrophobicContact CE2-CD2 4.13Å; L199-L203 HydrophobicContact CB-CD1 4.2Å; L199-L203 HydrophobicContact CD1-CD1 4.37Å; L199-L203 HydrophobicContact CD2-CD1 4.21Å; P200-L203 HydrophobicContact CG-CD1 4.3Å; P200-L203 HydrophobicContact CG-CD2 4.16Å; P200-L203 HydrophobicContact CG-CG 4.28Å; P200-L203 WeakPolarHBondContact O-CD1 3.23Å; P200-L203 WeakPolarHBondContact O-CG 3.34Å; T201-L203 PolarHBondContact O-N 3.34Å
204	Y	98.7	Very high	96.9	Very high	22 Å²	22	36.7 Å²	36.7	9%	0.086	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.8	179.3	-63.1	-112.8	0	0	0	110	T95 Y97 P98 L125 T126 Q128 T206	T95-Y204 WeakPolarHBondContact O-CD1 3.46Å; Y97-Y204 VanDerWaalsContact C-CE1 3.4Å; Y97-Y204 VanDerWaalsContact O-CD1 3.3Å; Y97-Y204 WeakPolarHBondContact O-CD1 3.27Å; P98-Y204 HydrophobicContact CB-CD1 4.3Å; P98-Y204 HydrophobicContact CB-CD2 3.95Å; P98-Y204 HydrophobicContact CB-CE1 4.17Å; P98-Y204 HydrophobicContact CB-CE2 3.77Å; P98-Y204 HydrophobicContact CB-CG 4.2Å; P98-Y204 HydrophobicContact CG-CE1 4.41Å; P98-Y204 HydrophobicContact CG-CE2 4.39Å; P98-Y204 VanDerWaalsContact N-CE1 3.27Å; L125-Y204 WeakPolarHBondContact CA-O 3.47Å; T126-Y204 PolarHBondContact N-O 2.88Å; T126-Y204 WeakPolarHBondContact O-CD2 3.17Å; T126-Y204 PolarHBondContact O-N 2.56Å; Q128-Y204 HydrophobicContact CB-CE2 4.03Å; Q128-Y204 HydrophobicContact CG-CE2 4.45Å; Y204-T206 PolarHBondContact O-N 3.11Å; Y204-T206 PolarHBondContact O-OG1 2.85Å
205	P	98.8	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	133.8	164	-29.4	35.3	0	0	0	110.2	P57 W60 R94 T95 I99 Y106 F108 F220	P57-P205 HydrophobicContact CB-CG 4.29Å; P57-P205 HydrophobicContact CG-CG 4.42Å; W60-P205 HydrophobicContact CZ3-CB 4.42Å; W60-P205 WeakPolarHBondContact CZ3-O 3.31Å; R94-P205 VanDerWaalsContact CA-O 3.24Å; R94-P205 WeakPolarHBondContact CA-O 3.3Å; R94-P205 WeakPolarHBondContact CB-O 3.49Å; T95-P205 HydrophobicContact CG2-CB 3.85Å; T95-P205 HydrophobicContact CG2-CG 4.17Å; T95-P205 PolarHBondContact N-O 3.49Å; T95-P205 VanDerWaalsContact N-O 3.11Å; T95-P205 WeakPolarHBondContact OG1-CD 3.48Å; I99-P205 HydrophobicContact CD1-CG 4.15Å; I99-P205 HydrophobicContact CG1-CG 4.06Å; Y106-P205 HydrophobicContact CE1-CG 3.96Å; F108-P205 HydrophobicContact CD1-CB 4.13Å; F108-P205 HydrophobicContact CD1-CG 4.09Å; F108-P205 HydrophobicContact CD2-CB 4.4Å; F108-P205 HydrophobicContact CE1-CB 3.71Å; F108-P205 HydrophobicContact CE1-CG 3.94Å; F108-P205 HydrophobicContact CE2-CB 4.04Å; F108-P205 HydrophobicContact CG-CB 4.44Å; F108-P205 HydrophobicContact CZ-CB 3.67Å; F108-P205 HydrophobicContact CZ-CG 4.41Å; P205-F220 HydrophobicContact CB-CE1 3.88Å; P205-F220 HydrophobicContact CG-CE1 4.33Å
206	T	98.9	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.6	-173	-50.7	0	0	0	0	110.4	V93 R94 G124 T126 P136 Y204	V93-T206 WeakPolarHBondContact O-CA 3.47Å; V93-T206 VanDerWaalsContact O-CG2 3.27Å; V93-T206 WeakPolarHBondContact O-CG2 3.4Å; R94-T206 HydrophobicContact CB-CG2 4.29Å; G124-T206 PolarHBondContact N-O 3.41Å; G124-T206 PolarHBondContact O-N 3.4Å; T126-T206 HydrophobicContact CG2-CG2 3.7Å; T126-T206 WeakPolarHBondContact CG2-OG1 3.26Å; T126-T206 PolarHBondContact OG1-OG1 2.82Å; P136-T206 HydrophobicContact CG-CG2 3.87Å; Y204-T206 PolarHBondContact O-N 3.11Å; Y204-T206 PolarHBondContact O-OG1 2.85Å
207	V	98.9	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.2	165.9	171.4	0	0	0	0	109.5	W60 S92 V93 V110 G122 I123 L209 V216	W60-V207 HydrophobicContact CH2-CB 4.25Å; W60-V207 HydrophobicContact CH2-CG2 3.64Å; W60-V207 HydrophobicContact CZ2-CB 4.3Å; W60-V207 HydrophobicContact CZ2-CG2 3.63Å; S92-V207 CarbonylContact C-O 3.59Å; S92-V207 WeakPolarHBondContact CA-O 3.4Å; S92-V207 WeakPolarHBondContact CB-O 3.12Å; V93-V207 PolarHBondContact N-O 2.83Å; V93-V207 PolarHBondContact O-N 3.37Å; V110-V207 HydrophobicContact CG1-CG2 4.15Å; V110-V207 HydrophobicContact CG2-CG2 3.96Å; G122-V207 WeakPolarHBondContact O-CA 3.42Å; I123-V207 HydrophobicContact CG1-CG2 4.31Å; V207-L209 HydrophobicContact CG1-CD2 3.83Å; V207-L209 HydrophobicContact CG1-CG 4.22Å; V207-V216 HydrophobicContact CG1-CG2 3.96Å; V207-V216 HydrophobicContact CG2-CG2 4.47Å
208	G	98.8	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	166.6	0	0	0	0	0	112	A91 S92 M121 G122	A91-G208 CarbonylContact O-C 3.57Å; A91-G208 WeakPolarHBondContact O-CA 3.34Å; S92-G208 WeakPolarHBondContact OG-CA 3.37Å; M121-G208 CarbonylContact C-O 3.51Å; M121-G208 WeakPolarHBondContact CA-O 3.35Å; G122-G208 PolarHBondContact N-O 2.89Å; G122-G208 PolarHBondContact O-N 3.28Å
209	L	98.8	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	174	-49.6	175.9	0	0	0	108.8	I69 V78 Y80 A91 M121 V207 E214 V216	I69-L209 HydrophobicContact CD1-CB 4.37Å; I69-L209 HydrophobicContact CD1-CD1 4.16Å; I69-L209 HydrophobicContact CD1-CG 4.39Å; V78-L209 HydrophobicContact CB-CD1 4.43Å; V78-L209 HydrophobicContact CG1-CD1 3.8Å; Y80-L209 HydrophobicContact CD2-CB 3.93Å; Y80-L209 HydrophobicContact CG-CB 4.29Å; A91-L209 PolarHBondContact N-O 3.27Å; A91-L209 PolarHBondContact O-N 2.94Å; A91-L209 VanDerWaalsContact O-O 3.12Å; M121-L209 HydrophobicContact CB-CD2 4.14Å; M121-L209 HydrophobicContact CG-CD2 3.78Å; M121-L209 HydrophobicContact SD-CD2 4.45Å; V207-L209 HydrophobicContact CG1-CD2 3.83Å; V207-L209 HydrophobicContact CG1-CG 4.22Å; L209-E214 HydrophobicContact CB-CB 4.24Å; L209-E214 HydrophobicContact CD1-CB 4.34Å; L209-E214 HydrophobicContact CD2-CB 4.27Å; L209-V216 HydrophobicContact CD2-CG1 4.24Å
210	Q	98.3	Very high	97.3	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.028	12%	0.122	C	C	.	.			trans	-135.3	-20.6	-178.9	-164.3	-170.1	-65.2	0	0	114.5	Y80 G84 Q86 H87 A90 Y120 E214	Y80-Q210 WeakPolarHBondContact CE1-O 3.36Å; Y80-Q210 PolarHBondContact OH-O 3.38Å; G84-Q210 WeakPolarHBondContact CA-O 3.37Å; Q86-Q210 PolarHBondContact O-NE2 3Å; H87-Q210 PolarHBondContact ND1-NE2 2.83Å; H87-Q210 PolarHBondContact ND1-OE1 3.27Å; A90-Q210 HydrophobicContact CB-CB 4.42Å; A90-Q210 HydrophobicContact CB-CG 4.04Å; Y120-Q210 HydrophobicContact CD2-CB 4.47Å; Y120-Q210 PolarHBondContact O-N 3.2Å; Q210-E214 PolarHBondContact N-OE2 2.77Å
211	T	98.3	Very high	97.4	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-125.6	150	-173.7	84.2	0	0	0	0	116.1	Y80 N118 Y120 G213 E214	Y80-T211 WeakPolarHBondContact CD1-O 3.43Å; N118-T211 HydrophobicContact CB-CG2 3.76Å; N118-T211 PolarHBondContact N-OG1 3.34Å; N118-T211 VanDerWaalsContact N-OG1 3.08Å; Y120-T211 HydrophobicContact CD2-CG2 3.47Å; Y120-T211 VanDerWaalsContact CD2-CG2 3.47Å; Y120-T211 HydrophobicContact CE2-CG2 4.13Å; Y120-T211 HydrophobicContact CG-CG2 4.18Å; T211-G213 PolarHBondContact O-N 3.1Å; T211-E214 WeakPolarHBondContact CB-OE1 3.37Å; T211-E214 VanDerWaalsContact N-CD 3.28Å; T211-E214 PolarHBondContact N-OE1 3.32Å; T211-E214 PolarHBondContact N-OE2 2.76Å; T211-E214 VanDerWaalsContact O-CB 3.32Å; T211-E214 WeakPolarHBondContact O-CB 3.24Å; T211-E214 WeakPolarHBondContact O-CG 3.46Å; T211-E214 PolarHBondContact O-N 3.12Å; T211-E214 VanDerWaalsContact OG1-CD 3.28Å; T211-E214 PolarHBondContact OG1-OE1 2.88Å
212	P	98.4	Very high	97.5	Very high	39 Å²	39	20.8 Å²	20.8	25%	0.253	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.3	-176.1	-29.1	39.1	0	0	0	113.7	Y80 V83 R117 E214	Y80-P212 HydrophobicContact CE1-CG 4.42Å; V83-P212 WeakPolarHBondContact O-CG 3.22Å; R117-P212 PolarHBondContact N-O 3.16Å; R117-P212 VanDerWaalsContact N-O 3.11Å; P212-E214 VanDerWaalsContact C-N 3.34Å
213	G	98	Very high	97.6	Very high	39 Å²	39	19.7 Å²	19.7	40%	0.402	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	2.4	-177.1	0	0	0	0	0	114.5	S114 G116 T211	S114-G213 VanDerWaalsContact CB-O 3.23Å; S114-G213 WeakPolarHBondContact CB-O 3.31Å; S114-G213 PolarHBondContact OG-O 3.06Å; G116-G213 WeakPolarHBondContact CA-O 3.33Å; G116-G213 PolarHBondContact N-O 3.48Å; T211-G213 PolarHBondContact O-N 3.1Å
214	E	98.8	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.3	170.1	-75.3	166.4	-168.7	0	0	110.5	Y80 S114 K115 G119 Y120 M121 L209 Q210 T211 P212	Y80-E214 PolarHBondContact N-O 3.26Å; S114-E214 WeakPolarHBondContact O-CA 3.23Å; K115-E214 WeakPolarHBondContact O-CG 3.32Å; G119-E214 WeakPolarHBondContact CA-OE1 3.32Å; G119-E214 PolarHBondContact N-OE1 3.19Å; Y120-E214 PolarHBondContact N-OE1 3.14Å; M121-E214 HydrophobicContact CG-CB 4.42Å; M121-E214 HydrophobicContact CG-CG 4.03Å; M121-E214 HydrophobicContact SD-CB 4.48Å; M121-E214 HydrophobicContact SD-CG 4.19Å; L209-E214 HydrophobicContact CB-CB 4.24Å; L209-E214 HydrophobicContact CD1-CB 4.34Å; L209-E214 HydrophobicContact CD2-CB 4.27Å; Q210-E214 PolarHBondContact N-OE2 2.77Å; T211-E214 WeakPolarHBondContact CB-OE1 3.37Å; T211-E214 VanDerWaalsContact N-CD 3.28Å; T211-E214 PolarHBondContact N-OE1 3.32Å; T211-E214 PolarHBondContact N-OE2 2.76Å; T211-E214 VanDerWaalsContact O-CB 3.32Å; T211-E214 WeakPolarHBondContact O-CB 3.24Å; T211-E214 WeakPolarHBondContact O-CG 3.46Å; T211-E214 PolarHBondContact O-N 3.12Å; T211-E214 VanDerWaalsContact OG1-CD 3.28Å; T211-E214 PolarHBondContact OG1-OE1 2.88Å; P212-E214 VanDerWaalsContact C-N 3.34Å
215	E	98.8	Very high	97.3	Very high	46 Å²	46	26.5 Å²	26.5	22%	0.215	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	131.5	-172.1	-168.5	179.9	163.4	0	0	110.6	R77 V78 T79 I113 S114	R77-E215 VanDerWaalsContact CD-OE1 3.24Å; R77-E215 WeakPolarHBondContact CD-OE1 3.47Å; R77-E215 HydrophobicContact CG-CG 4.34Å; R77-E215 IonicContact CZ-OE1 3.83Å; R77-E215 IonicContact NE-OE1 2.78Å; R77-E215 IonicContact NH1-OE1 2.67Å; R77-E215 PolarHBondContact NH1-OE1 2.9Å; V78-E215 VanDerWaalsContact O-CA 3.31Å; V78-E215 WeakPolarHBondContact O-CA 3.47Å; T79-E215 HydrophobicContact CG2-CB 4.37Å; T79-E215 HydrophobicContact CG2-CG 4.26Å; I113-E215 WeakPolarHBondContact CA-O 3.28Å; I113-E215 HydrophobicContact CB-CB 4.19Å; I113-E215 HydrophobicContact CB-CG 4.04Å; I113-E215 WeakPolarHBondContact CB-O 3.26Å; I113-E215 HydrophobicContact CG2-CG 4.22Å; I113-E215 PolarHBondContact N-O 2.97Å; S114-E215 PolarHBondContact N-O 3.47Å; S114-E215 PolarHBondContact O-N 3.25Å
216	V	98.9	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.8	178.7	-52	0	0	0	0	111.9	R77 V78 V110 R111 I112 M121 V207 L209	R77-V216 CarbonylContact C-O 3.5Å; R77-V216 WeakPolarHBondContact CA-O 3.45Å; V78-V216 HydrophobicContact CB-CG2 3.91Å; V78-V216 HydrophobicContact CG2-CG2 4.13Å; V78-V216 PolarHBondContact N-O 3.06Å; V78-V216 PolarHBondContact O-N 2.83Å; V110-V216 HydrophobicContact CG1-CB 3.68Å; V110-V216 HydrophobicContact CG1-CG1 4.16Å; V110-V216 HydrophobicContact CG1-CG2 3.71Å; R111-V216 CarbonylContact O-C 3.58Å; R111-V216 VanDerWaalsContact O-CA 3.27Å; R111-V216 WeakPolarHBondContact O-CA 3.5Å; R111-V216 WeakPolarHBondContact O-CB 3.44Å; I112-V216 HydrophobicContact CD1-CG1 3.74Å; M121-V216 HydrophobicContact SD-CG1 4.4Å; V207-V216 HydrophobicContact CG1-CG2 3.96Å; V207-V216 HydrophobicContact CG2-CG2 4.47Å; L209-V216 HydrophobicContact CD2-CG1 4.24Å
217	D	98.8	Very high	97.2	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142	166.9	-75.2	-25.7	0	0	0	109.9	R77 V110 R111 I113	R77-D217 VanDerWaalsContact CB-OD1 3.22Å; R77-D217 WeakPolarHBondContact CB-OD1 3.21Å; R77-D217 WeakPolarHBondContact CG-OD1 3.48Å; R77-D217 IonicContact CZ-OD1 3.91Å; R77-D217 IonicContact CZ-OD2 2.84Å; R77-D217 IonicContact NE-OD1 2.72Å; R77-D217 PolarHBondContact NE-OD1 3.21Å; R77-D217 IonicContact NE-OD2 3.08Å; R77-D217 IonicContact NH2-OD1 2.97Å; R77-D217 PolarHBondContact NH2-OD1 2.95Å; R77-D217 IonicContact NH2-OD2 2.81Å; R77-D217 PolarHBondContact NH2-OD2 3.22Å; V110-D217 CarbonylContact C-O 3.56Å; V110-D217 WeakPolarHBondContact CA-O 3.48Å; R111-D217 HydrophobicContact CB-CB 4.49Å; R111-D217 IonicContact CZ-OD2 2.6Å; R111-D217 PolarHBondContact N-O 2.91Å; R111-D217 IonicContact NE-OD2 3.28Å; R111-D217 IonicContact NH2-OD2 2.93Å; R111-D217 PolarHBondContact NH2-OD2 2.81Å; R111-D217 PolarHBondContact O-N 3.32Å; I113-D217 HydrophobicContact CD1-CB 4.15Å; I113-D217 WeakPolarHBondContact CD1-OD2 3.38Å; I113-D217 HydrophobicContact CG1-CB 4.3Å
218	A	98.7	Very high	96.9	Very high	7 Å²	7	37 Å²	37	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.3	169.2	0	0	0	0	0	112.2	W60 L76 E109 F220	W60-A218 HydrophobicContact CZ2-CB 3.58Å; W60-A218 VanDerWaalsContact NE1-CB 3.33Å; L76-A218 PolarHBondContact O-N 3.26Å; E109-A218 CarbonylContact O-C 3.2Å; E109-A218 WeakPolarHBondContact O-CA 3.48Å; A218-F220 HydrophobicContact CB-CD2 4.07Å; A218-F220 HydrophobicContact CB-CE2 3.49Å; A218-F220 VanDerWaalsContact CB-CE2 3.49Å; A218-F220 HydrophobicContact CB-CZ 3.81Å
219	N	98.1	Very high	96.7	Very high	17 Å²	17	42.9 Å²	42.9	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.2	163.1	177.8	17.4	0	0	0	108	E109 G221 Q222 E223 F225	E109-N219 HydrophobicContact CB-CB 4.43Å; E109-N219 PolarHBondContact N-O 2.91Å; E109-N219 PolarHBondContact O-N 3.29Å; N219-G221 WeakPolarHBondContact OD1-CA 3.48Å; N219-G221 PolarHBondContact OD1-N 3.22Å; N219-Q222 PolarHBondContact OD1-N 3.46Å; N219-E223 PolarHBondContact ND2-O 3.5Å; N219-E223 PolarHBondContact OD1-N 3.21Å; N219-E223 VanDerWaalsContact OD1-N 3.1Å; N219-E223 PolarHBondContact OD1-O 3.49Å; N219-F225 WeakPolarHBondContact ND2-CD1 3.39Å
220	F	97.2	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-97.4	17.8	174.4	-62.8	-75.4	0	0	0	111.9	L42 P57 R58 W60 L76 T95 F108 P205 A218	L42-F220 WeakPolarHBondContact CD2-O 3.45Å; P57-F220 WeakPolarHBondContact O-CB 3.34Å; R58-F220 WeakPolarHBondContact O-CD2 3.39Å; W60-F220 HydrophobicContact CD2-CE2 4.37Å; W60-F220 HydrophobicContact CD2-CZ 4Å; W60-F220 AromaticContact CE2-CZ 3.82Å; W60-F220 HydrophobicContact CE3-CZ 4.08Å; W60-F220 HydrophobicContact CH2-CE1 4.36Å; W60-F220 AromaticContact CH2-CZ 3.79Å; W60-F220 HydrophobicContact CH2-CZ 3.79Å; W60-F220 HydrophobicContact CZ2-CE2 4.43Å; W60-F220 AromaticContact CZ2-CZ 3.74Å; W60-F220 HydrophobicContact CZ2-CZ 3.74Å; W60-F220 AromaticContact CZ3-CZ 3.96Å; W60-F220 HydrophobicContact CZ3-CZ 3.96Å; L76-F220 HydrophobicContact CD2-CD2 3.81Å; L76-F220 HydrophobicContact CD2-CE2 4.1Å; T95-F220 HydrophobicContact CG2-CD1 4.47Å; T95-F220 HydrophobicContact CG2-CE1 3.59Å; T95-F220 HydrophobicContact CG2-CE2 4.39Å; T95-F220 HydrophobicContact CG2-CZ 3.54Å; F108-F220 HydrophobicContact CB-CD1 3.8Å; F108-F220 HydrophobicContact CB-CE1 4.27Å; F108-F220 HydrophobicContact CD2-CD1 4.42Å; F108-F220 HydrophobicContact CD2-CE1 4.05Å; F108-F220 HydrophobicContact CG-CD1 4.26Å; F108-F220 HydrophobicContact CG-CE1 4.24Å; P205-F220 HydrophobicContact CB-CE1 3.88Å; P205-F220 HydrophobicContact CG-CE1 4.33Å; A218-F220 HydrophobicContact CB-CD2 4.07Å; A218-F220 HydrophobicContact CB-CE2 3.49Å; A218-F220 VanDerWaalsContact CB-CE2 3.49Å; A218-F220 HydrophobicContact CB-CZ 3.81Å
221	G	94.2	Very high	96.1	Very high	6 Å²	6	45.9 Å²	45.9	6%	0.062	25%	0.248	C	C	.	.	S	Bend	trans	107.7	11.4	-174.6	0	0	0	0	0	114.5	N219	N219-G221 WeakPolarHBondContact OD1-CA 3.48Å; N219-G221 PolarHBondContact OD1-N 3.22Å
222	Q	90.3	Very high	95.8	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	27%	0.271	S	S	.	.	S	Bend	trans	-76.2	-30.1	172.4	-62.7	87.3	0.3	0	0	112.8	R58 N219	R58-Q222 PolarHBondContact O-NE2 2.82Å; N219-Q222 PolarHBondContact OD1-N 3.46Å
223	E	92.7	Very high	95.6	Very high	126 Å²	126	51 Å²	51	59%	0.589	27%	0.272	S	S	*	.	S	Bend	trans	-118.3	157.1	176.1	-63	-172.9	153.2	0	0	109.5	N219 F225	N219-E223 PolarHBondContact ND2-O 3.5Å; N219-E223 PolarHBondContact OD1-N 3.21Å; N219-E223 VanDerWaalsContact OD1-N 3.1Å; N219-E223 PolarHBondContact OD1-O 3.49Å; E223-F225 PolarHBondContact O-N 2.97Å
224	P	94	Very high	95.3	Very high	130 Å²	130	50 Å²	50	84%	0.844	26%	0.257	S	S	*	.			trans	-56.1	133.3	171.5	-24.6	34.9	0	0	0	111.7
225	F	96.4	Very high	94.9	Very high	37 Å²	37	55.5 Å²	55.5	16%	0.162	28%	0.281	C	S	.	.			trans	-69.1	149.9	176.9	-66.4	-58.9	0	0	0	112.2	L45 Y107 E109 N219 E223 F227 I230	L45-F225 HydrophobicContact CD2-CE2 3.88Å; Y107-F225 HydrophobicContact CD1-CB 4.36Å; Y107-F225 AromaticContact CD1-CD1 3.73Å; Y107-F225 HydrophobicContact CD1-CD1 3.73Å; Y107-F225 AromaticContact CD1-CD2 3.8Å; Y107-F225 HydrophobicContact CD1-CD2 3.8Å; Y107-F225 AromaticContact CD1-CE1 3.85Å; Y107-F225 HydrophobicContact CD1-CE1 3.85Å; Y107-F225 AromaticContact CD1-CE2 3.92Å; Y107-F225 HydrophobicContact CD1-CE2 3.92Å; Y107-F225 AromaticContact CD1-CG 3.7Å; Y107-F225 HydrophobicContact CD1-CG 3.7Å; Y107-F225 AromaticContact CD1-CZ 3.94Å; Y107-F225 HydrophobicContact CD1-CZ 3.94Å; Y107-F225 HydrophobicContact CE1-CB 3.9Å; Y107-F225 AromaticContact CE1-CD1 3.66Å; Y107-F225 HydrophobicContact CE1-CD1 3.66Å; Y107-F225 HydrophobicContact CE1-CD2 4.22Å; Y107-F225 HydrophobicContact CE1-CE1 4.2Å; Y107-F225 AromaticContact CE1-CG 3.67Å; Y107-F225 HydrophobicContact CE1-CG 3.67Å; E109-F225 HydrophobicContact CB-CD1 4.26Å; E109-F225 HydrophobicContact CG-CD1 3.8Å; E109-F225 HydrophobicContact CG-CE1 4.42Å; N219-F225 WeakPolarHBondContact ND2-CD1 3.39Å; E223-F225 PolarHBondContact O-N 2.97Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F225-I230 HydrophobicContact CD2-CG2 4.03Å
226	K	97.8	Very high	94.6	Very high	99 Å²	99	59 Å²	59	43%	0.43	30%	0.297	S	S	.	.	S	Bend	trans	-76.9	-22.2	172.5	-165.9	170.9	179	179.5	0	112.3	E109 V171 N188 G189	E109-K226 VanDerWaalsContact CD-N 3.33Å; E109-K226 PolarHBondContact OE1-N 3.43Å; E109-K226 VanDerWaalsContact OE1-N 3.08Å; E109-K226 PolarHBondContact OE2-N 2.87Å; V171-K226 HydrophobicContact CB-CD 3.93Å; V171-K226 HydrophobicContact CG1-CB 4.42Å; V171-K226 HydrophobicContact CG1-CD 4.49Å; V171-K226 HydrophobicContact CG2-CD 3.9Å; N188-K226 WeakPolarHBondContact O-CE 3.41Å; N188-K226 PolarHBondContact OD1-NZ 3.39Å; G189-K226 WeakPolarHBondContact CA-O 3.34Å
227	F	97.3	Very high	94.2	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	30%	0.304	C	S	.	.			trans	-89	97.9	163.6	-174.6	-122.7	0	0	0	110.2	Y107 E109 F184 T186 G189 D191 F225 K229 I230 M233	Y107-F227 HydrophobicContact CE1-CB 3.99Å; Y107-F227 HydrophobicContact CE1-CD1 4.37Å; Y107-F227 HydrophobicContact CE2-CD1 4.16Å; Y107-F227 AromaticContact CZ-CD1 3.98Å; Y107-F227 WeakPolarHBondContact OH-CB 3.33Å; E109-F227 PolarHBondContact OE1-N 3.45Å; F184-F227 HydrophobicContact CE2-CE1 4.13Å; F184-F227 HydrophobicContact CE2-CZ 4.23Å; F184-F227 HydrophobicContact CZ-CE1 4.16Å; F184-F227 HydrophobicContact CZ-CZ 4.44Å; T186-F227 HydrophobicContact CG2-CB 4.16Å; T186-F227 HydrophobicContact CG2-CD1 4Å; T186-F227 HydrophobicContact CG2-CD2 3.92Å; T186-F227 HydrophobicContact CG2-CE1 4.32Å; T186-F227 HydrophobicContact CG2-CE2 4.23Å; T186-F227 HydrophobicContact CG2-CG 3.79Å; T186-F227 HydrophobicContact CG2-CZ 4.42Å; G189-F227 WeakPolarHBondContact O-CD2 3.43Å; D191-F227 HydrophobicContact CB-CE2 4.35Å; F225-F227 VanDerWaalsContact C-N 3.33Å; F227-K229 HydrophobicContact CD2-CB 4.5Å; F227-K229 HydrophobicContact CE1-CB 4.3Å; F227-K229 HydrophobicContact CE2-CB 3.97Å; F227-K229 HydrophobicContact CE2-CD 4.19Å; F227-K229 HydrophobicContact CE2-CG 4.15Å; F227-K229 HydrophobicContact CZ-CB 3.86Å; F227-I230 HydrophobicContact CD1-CB 4Å; F227-I230 HydrophobicContact CE1-CB 4.3Å; F227-M233 HydrophobicContact CE1-SD 3.77Å; F227-M233 HydrophobicContact CZ-SD 3.78Å
228	D	92.2	Very high	93.8	Very high	117 Å²	117	62.6 Å²	62.6	63%	0.626	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.4	-178.9	54.1	-4.7	0	0	0	113.6	I230	D228-I230 PolarHBondContact O-N 2.95Å; D228-I230 VanDerWaalsContact O-N 3.09Å
229	K	94.8	Very high	93.4	Very high	123 Å²	123	65.2 Å²	65.2	54%	0.535	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.5	-172.7	-50	-170.6	-176.7	176.4	0	115.8	F227 V231 D232 M233	F227-K229 HydrophobicContact CD2-CB 4.5Å; F227-K229 HydrophobicContact CE1-CB 4.3Å; F227-K229 HydrophobicContact CE2-CB 3.97Å; F227-K229 HydrophobicContact CE2-CD 4.19Å; F227-K229 HydrophobicContact CE2-CG 4.15Å; F227-K229 HydrophobicContact CZ-CB 3.86Å; K229-V231 PolarHBondContact O-N 3.39Å; K229-D232 PolarHBondContact O-N 3.48Å; K229-M233 WeakPolarHBondContact O-CG 3.39Å; K229-M233 PolarHBondContact O-N 3.44Å
230	I	93.1	Very high	93	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-56.5	-38.6	-174.1	-171.7	63.1	0	0	0	112.6	L105 Y107 F225 F227 D228 M234	L105-I230 HydrophobicContact CD2-CD1 3.57Å; L105-I230 HydrophobicContact CG-CD1 4.11Å; Y107-I230 HydrophobicContact CD1-CB 4.48Å; Y107-I230 HydrophobicContact CD1-CG1 4.26Å; Y107-I230 HydrophobicContact CD2-CD1 4.41Å; Y107-I230 HydrophobicContact CG-CD1 4.06Å; Y107-I230 HydrophobicContact CG-CG1 4.07Å; F225-I230 HydrophobicContact CD2-CG2 4.03Å; F227-I230 HydrophobicContact CD1-CB 4Å; F227-I230 HydrophobicContact CE1-CB 4.3Å; D228-I230 PolarHBondContact O-N 2.95Å; D228-I230 VanDerWaalsContact O-N 3.09Å; I230-M234 HydrophobicContact CD1-CE 4.04Å; I230-M234 HydrophobicContact CG1-CE 3.84Å; I230-M234 WeakPolarHBondContact O-CG 3.29Å; I230-M234 PolarHBondContact O-N 3.33Å
231	V	90.8	Very high	92.6	Very high	66 Å²	66	67.2 Å²	67.2	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-39.7	178.4	176.2	0	0	0	0	111.4	L45 K229 M234 K235	L45-V231 HydrophobicContact CD1-CG2 4Å; K229-V231 PolarHBondContact O-N 3.39Å; V231-M234 PolarHBondContact O-N 3.03Å; V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 2.78Å; V231-K235 VanDerWaalsContact O-N 3.1Å
232	D	93	Very high	92.4	Very high	94 Å²	94	69 Å²	69	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-76.1	-32.4	-179.7	-67.7	-27	0	0	0	112.1	K229 M234 K235 E236	K229-D232 PolarHBondContact O-N 3.48Å; D232-M234 VanDerWaalsContact C-N 3.3Å; D232-M234 PolarHBondContact O-N 3.1Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 IonicContact OD1-NZ 3.57Å; D232-K235 PolarHBondContact OD1-NZ 3.34Å; D232-E236 PolarHBondContact O-N 3.03Å
233	M	93.9	Very high	92.3	Very high	55 Å²	55	69.9 Å²	69.9	27%	0.271	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-41.1	168.9	-68.7	178.4	68.4	0	0	111.7	L105 F184 F227 K229 E236 M237	L105-M233 HydrophobicContact CD2-CB 4.04Å; L105-M233 HydrophobicContact CD2-CE 4.4Å; F184-M233 HydrophobicContact CE1-CE 3.85Å; F184-M233 HydrophobicContact CZ-CE 3.75Å; F184-M233 HydrophobicContact CZ-SD 4.11Å; F227-M233 HydrophobicContact CE1-SD 3.77Å; F227-M233 HydrophobicContact CZ-SD 3.78Å; K229-M233 WeakPolarHBondContact O-CG 3.39Å; K229-M233 PolarHBondContact O-N 3.44Å; M233-E236 PolarHBondContact O-N 3.24Å; M233-M237 WeakPolarHBondContact O-CG 3.25Å; M233-M237 PolarHBondContact O-N 3.23Å
234	M	91.2	Very high	92.2	Very high	19 Å²	19	69.1 Å²	69.1	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-40.6	176.4	-69.5	166.4	177	0	0	112.4	L45 Y46 L105 I230 V231 D232 E236 M237 R238 F588	L45-M234 HydrophobicContact CD1-CE 3.94Å; L45-M234 HydrophobicContact CD1-SD 3.4Å; L45-M234 WeakPolarHBondContact CD1-SD 3.32Å; L45-M234 HydrophobicContact CD2-CE 4.42Å; L45-M234 HydrophobicContact CG-CE 3.88Å; L45-M234 HydrophobicContact CG-SD 3.8Å; Y46-M234 HydrophobicContact CD1-CE 4.32Å; Y46-M234 HydrophobicContact CE1-CE 3.65Å; L105-M234 HydrophobicContact CB-CE 4Å; L105-M234 HydrophobicContact CB-CG 4.31Å; L105-M234 HydrophobicContact CD2-CE 4.22Å; L105-M234 HydrophobicContact CD2-CG 4.03Å; L105-M234 HydrophobicContact CG-CE 4.27Å; L105-M234 WeakPolarHBondContact O-CE 3.4Å; I230-M234 HydrophobicContact CD1-CE 4.04Å; I230-M234 HydrophobicContact CG1-CE 3.84Å; I230-M234 WeakPolarHBondContact O-CG 3.29Å; I230-M234 PolarHBondContact O-N 3.33Å; V231-M234 PolarHBondContact O-N 3.03Å; D232-M234 VanDerWaalsContact C-N 3.3Å; D232-M234 PolarHBondContact O-N 3.1Å; M234-E236 VanDerWaalsContact C-N 3.33Å; M234-E236 PolarHBondContact O-N 3.43Å; M234-M237 PolarHBondContact O-N 2.84Å; M234-R238 PolarHBondContact O-N 3.07Å; M234-F588 HydrophobicContact CB-CE1 4.26Å; M234-F588 HydrophobicContact CG-CE1 4.37Å
235	K	90.3	Very high	91.8	Very high	115 Å²	115	66.9 Å²	66.9	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-41.2	171.9	-67.5	170.7	-166.6	155.3	0	111.8	V231 D232 R238 S239	V231-K235 WeakPolarHBondContact O-CG 3.38Å; V231-K235 PolarHBondContact O-N 2.78Å; V231-K235 VanDerWaalsContact O-N 3.1Å; D232-K235 PolarHBondContact O-N 2.83Å; D232-K235 IonicContact OD1-NZ 3.57Å; D232-K235 PolarHBondContact OD1-NZ 3.34Å; K235-R238 PolarHBondContact O-N 3.3Å; K235-S239 WeakPolarHBondContact O-CB 3.3Å; K235-S239 PolarHBondContact O-N 3.06Å; K235-S239 PolarHBondContact O-OG 2.89Å
236	E	92.9	Very high	91.2	Very high	119 Å²	119	70.8 Å²	70.8	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-65.9	-43.7	177.3	-155.7	-151.5	127.2	0	0	110.9	D232 M233 M234 R238 S239 N240	D232-E236 PolarHBondContact O-N 3.03Å; M233-E236 PolarHBondContact O-N 3.24Å; M234-E236 VanDerWaalsContact C-N 3.33Å; M234-E236 PolarHBondContact O-N 3.43Å; E236-R238 PolarHBondContact O-N 3.45Å; E236-S239 CarbonylContact O-C 3.54Å; E236-S239 PolarHBondContact O-N 3.03Å; E236-N240 VanDerWaalsContact O-CB 3.27Å; E236-N240 WeakPolarHBondContact O-CB 3.43Å; E236-N240 PolarHBondContact O-N 2.92Å; E236-N240 PolarHBondContact O-ND2 3.29Å; E236-N240 PolarHBondContact OE1-ND2 3.47Å
237	M	91.4	Very high	90.8	Very high	28 Å²	28	75.2 Å²	75.2	14%	0.138	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-45.2	174.5	-72.3	177.8	74	0	0	111.9	L105 V179 M233 M234 N240 V241 F588	L105-M237 HydrophobicContact CB-SD 4.15Å; L105-M237 HydrophobicContact CD1-SD 4.34Å; L105-M237 HydrophobicContact CD2-SD 4.07Å; L105-M237 HydrophobicContact CG-SD 4.44Å; V179-M237 HydrophobicContact CB-CE 3.99Å; V179-M237 HydrophobicContact CG2-CE 3.48Å; V179-M237 VanDerWaalsContact CG2-CE 3.48Å; M233-M237 WeakPolarHBondContact O-CG 3.25Å; M233-M237 PolarHBondContact O-N 3.23Å; M234-M237 PolarHBondContact O-N 2.84Å; M237-N240 PolarHBondContact O-N 3.03Å; M237-V241 WeakPolarHBondContact O-CG2 3.32Å; M237-V241 PolarHBondContact O-N 2.67Å; M237-F588 HydrophobicContact CB-CD1 3.9Å; M237-F588 HydrophobicContact CB-CD2 4.42Å; M237-F588 HydrophobicContact CB-CE1 3.64Å; M237-F588 HydrophobicContact CB-CE2 4.19Å; M237-F588 HydrophobicContact CB-CG 4.29Å; M237-F588 HydrophobicContact CB-CZ 3.79Å; M237-F588 HydrophobicContact CE-CD2 4.45Å; M237-F588 HydrophobicContact CE-CE2 3.48Å; M237-F588 VanDerWaalsContact CE-CE2 3.48Å; M237-F588 HydrophobicContact CE-CZ 3.54Å; M237-F588 HydrophobicContact CG-CZ 4.41Å; M237-F588 HydrophobicContact SD-CE1 4.46Å; M237-F588 HydrophobicContact SD-CE2 4.37Å; M237-F588 HydrophobicContact SD-CZ 3.84Å
238	R	89.3	Confident	90.2	Very high	66 Å²	66	82.2 Å²	82.2	25%	0.249	39%	0.386	C	S	.	.	H	α-helix	trans	-57.6	-49.6	172.1	-152	-171.4	-166.9	88.7	-11.7	112	M234 K235 E236 N240 V241 L242 F588 D593	M234-R238 PolarHBondContact O-N 3.07Å; K235-R238 PolarHBondContact O-N 3.3Å; E236-R238 PolarHBondContact O-N 3.45Å; R238-N240 PolarHBondContact O-N 3.06Å; R238-V241 PolarHBondContact O-N 3.27Å; R238-L242 HydrophobicContact CG-CD1 4.44Å; R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.05Å; R238-F588 HydrophobicContact CB-CB 4.41Å; R238-F588 HydrophobicContact CB-CD1 4.35Å; R238-F588 HydrophobicContact CG-CB 4.33Å; R238-F588 VanDerWaalsContact CG-O 3.25Å; R238-F588 WeakPolarHBondContact CG-O 3.5Å; R238-D593 IonicContact CZ-OD1 3.37Å; R238-D593 VanDerWaalsContact CZ-OD1 3.24Å; R238-D593 IonicContact CZ-OD2 2.75Å; R238-D593 VanDerWaalsContact CZ-OD2 3.23Å; R238-D593 IonicContact NE-OD1 2.74Å; R238-D593 PolarHBondContact NE-OD1 3.42Å; R238-D593 IonicContact NE-OD2 3.31Å; R238-D593 PolarHBondContact NE-OD2 3.24Å; R238-D593 IonicContact NH2-OD1 3.66Å; R238-D593 PolarHBondContact NH2-OD1 3.01Å; R238-D593 IonicContact NH2-OD2 3.69Å; R238-D593 PolarHBondContact NH2-OD2 3.2Å
239	S	90.1	Very high	89.7	Confident	61 Å²	61	81.1 Å²	81.1	43%	0.427	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-29.5	177.7	-55.6	0	0	0	0	113	K235 E236 R243	K235-S239 WeakPolarHBondContact O-CB 3.3Å; K235-S239 PolarHBondContact O-N 3.06Å; K235-S239 PolarHBondContact O-OG 2.89Å; E236-S239 CarbonylContact O-C 3.54Å; E236-S239 PolarHBondContact O-N 3.03Å; S239-R243 VanDerWaalsContact O-CB 3.26Å; S239-R243 WeakPolarHBondContact O-CB 3.25Å; S239-R243 PolarHBondContact O-N 2.68Å; S239-R243 PolarHBondContact O-NH2 3.41Å
240	N	90.9	Very high	88.6	Confident	51 Å²	51	82.1 Å²	82.1	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-80.7	-36	177.9	-71	-24.5	0	0	0	111.8	E236 M237 R238 R243 K244	E236-N240 VanDerWaalsContact O-CB 3.27Å; E236-N240 WeakPolarHBondContact O-CB 3.43Å; E236-N240 PolarHBondContact O-N 2.92Å; E236-N240 PolarHBondContact O-ND2 3.29Å; E236-N240 PolarHBondContact OE1-ND2 3.47Å; M237-N240 PolarHBondContact O-N 3.03Å; R238-N240 PolarHBondContact O-N 3.06Å; N240-R243 VanDerWaalsContact OD1-CZ 3.27Å; N240-R243 PolarHBondContact OD1-NH1 3.46Å; N240-R243 PolarHBondContact OD1-NH2 3Å; N240-K244 WeakPolarHBondContact O-CG 3.33Å; N240-K244 PolarHBondContact O-N 3.42Å
241	V	89	Confident	87.4	Confident	9 Å²	9	89 Å²	89	6%	0.055	43%	0.428	C	S	.	.	H	α-helix	trans	-67.9	-50.3	174.1	169.6	0	0	0	0	111.1	M237 R238 R243 K244 I245 E585 F588	M237-V241 WeakPolarHBondContact O-CG2 3.32Å; M237-V241 PolarHBondContact O-N 2.67Å; R238-V241 PolarHBondContact O-N 3.27Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 2.61Å; V241-K244 WeakPolarHBondContact O-CB 3.39Å; V241-K244 PolarHBondContact O-N 3.01Å; V241-I245 HydrophobicContact CG1-CD1 4.14Å; V241-I245 PolarHBondContact O-N 3.46Å; V241-E585 HydrophobicContact CG2-CB 4.09Å; V241-E585 HydrophobicContact CG2-CG 4.42Å; V241-F588 HydrophobicContact CB-CB 4.32Å; V241-F588 HydrophobicContact CG2-CB 4.1Å
242	L	88.1	Confident	86.2	Confident	44 Å²	44	90.6 Å²	90.6	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-56.8	-45.7	177.2	-65.7	171.6	0	0	0	111.3	R238 K244 I245 D246 I589 D593	R238-L242 HydrophobicContact CG-CD1 4.44Å; R238-L242 WeakPolarHBondContact O-CG 3.43Å; R238-L242 PolarHBondContact O-N 3.05Å; L242-K244 PolarHBondContact O-N 3.18Å; L242-I245 WeakPolarHBondContact O-CA 3.42Å; L242-I245 WeakPolarHBondContact O-CB 3.4Å; L242-I245 PolarHBondContact O-N 2.88Å; L242-D246 VanDerWaalsContact O-CG 3.29Å; L242-D246 PolarHBondContact O-N 3.05Å; L242-I589 HydrophobicContact CD2-CD1 4.36Å; L242-D593 HydrophobicContact CD2-CB 4.01Å
243	R	89.7	Confident	84.6	Confident	101 Å²	101	95.7 Å²	95.7	38%	0.381	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-18.1	177.4	-156.5	-167	-45.5	111.2	6.9	114.6	S239 N240 V241 R247	S239-R243 VanDerWaalsContact O-CB 3.26Å; S239-R243 WeakPolarHBondContact O-CB 3.25Å; S239-R243 PolarHBondContact O-N 2.68Å; S239-R243 PolarHBondContact O-NH2 3.41Å; N240-R243 VanDerWaalsContact OD1-CZ 3.27Å; N240-R243 PolarHBondContact OD1-NH1 3.46Å; N240-R243 PolarHBondContact OD1-NH2 3Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 2.61Å; R243-R247 WeakPolarHBondContact O-CB 3.4Å; R243-R247 VanDerWaalsContact O-CD 3.31Å; R243-R247 WeakPolarHBondContact O-CD 3.26Å; R243-R247 VanDerWaalsContact O-CG 3.23Å; R243-R247 WeakPolarHBondContact O-CG 3.38Å
244	K	89.4	Confident	83.7	Confident	110 Å²	110	96.9 Å²	96.9	48%	0.478	47%	0.465	S	S	.	.	H	α-helix	trans	-74	-39.4	168	-74.5	169	169.4	-177	0	110.7	N240 V241 L242 R247 Y248 E585	N240-K244 WeakPolarHBondContact O-CG 3.33Å; N240-K244 PolarHBondContact O-N 3.42Å; V241-K244 WeakPolarHBondContact O-CB 3.39Å; V241-K244 PolarHBondContact O-N 3.01Å; L242-K244 PolarHBondContact O-N 3.18Å; K244-R247 CarbonylContact O-C 3.56Å; K244-R247 PolarHBondContact O-N 3.18Å; K244-Y248 PolarHBondContact O-N 2.99Å; K244-Y248 VanDerWaalsContact O-N 3.14Å; K244-E585 IonicContact NZ-OE1 2.89Å; K244-E585 PolarHBondContact NZ-OE1 3.31Å; K244-E585 IonicContact NZ-OE2 3.24Å; K244-E585 PolarHBondContact NZ-OE2 2.89Å
245	I	86.3	Confident	83.1	Confident	83 Å²	83	98.4 Å²	98.4	43%	0.426	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-46.4	-177.9	-63.3	167.3	0	0	0	110.2	V241 L242 R247 Y248 I589	V241-I245 HydrophobicContact CG1-CD1 4.14Å; V241-I245 PolarHBondContact O-N 3.46Å; L242-I245 WeakPolarHBondContact O-CA 3.42Å; L242-I245 WeakPolarHBondContact O-CB 3.4Å; L242-I245 PolarHBondContact O-N 2.88Å; I245-R247 PolarHBondContact O-N 3.43Å; I245-R247 VanDerWaalsContact O-N 3.09Å; I245-Y248 VanDerWaalsContact O-CB 3.29Å; I245-Y248 WeakPolarHBondContact O-CB 3.44Å; I245-Y248 PolarHBondContact O-N 3.09Å; I245-I589 HydrophobicContact CD1-CD1 3.4Å
246	D	84.6	Confident	82.8	Confident	120 Å²	120	100 Å²	100	64%	0.642	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.9	174	-59.3	-30.1	0	0	0	113.2	L242	L242-D246 VanDerWaalsContact O-CG 3.29Å; L242-D246 PolarHBondContact O-N 3.05Å
247	R	87.7	Confident	82.5	Confident	191 Å²	191	98 Å²	98	72%	0.721	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	2.3	-178.9	-66.7	179.3	177.4	-172.4	-2.6	113.2	R243 K244 I245	R243-R247 WeakPolarHBondContact O-CB 3.4Å; R243-R247 VanDerWaalsContact O-CD 3.31Å; R243-R247 WeakPolarHBondContact O-CD 3.26Å; R243-R247 VanDerWaalsContact O-CG 3.23Å; R243-R247 WeakPolarHBondContact O-CG 3.38Å; K244-R247 CarbonylContact O-C 3.56Å; K244-R247 PolarHBondContact O-N 3.18Å; I245-R247 PolarHBondContact O-N 3.43Å; I245-R247 VanDerWaalsContact O-N 3.09Å
248	Y	85.3	Confident	82.3	Confident	152 Å²	152	98.9 Å²	98.9	60%	0.596	48%	0.484	S	S	*	.	S	Bend	trans	-70.1	129.3	-180	-165.5	-87.7	0	0	0	109.6	K244 I245 H250	K244-Y248 PolarHBondContact O-N 2.99Å; K244-Y248 VanDerWaalsContact O-N 3.14Å; I245-Y248 VanDerWaalsContact O-CB 3.29Å; I245-Y248 WeakPolarHBondContact O-CB 3.44Å; I245-Y248 PolarHBondContact O-N 3.09Å; Y248-H250 PolarHBondContact O-N 3.47Å; Y248-H250 VanDerWaalsContact O-N 3.16Å
249	P	82	Confident	82.3	Confident	94 Å²	94	100.6 Å²	100.6	61%	0.61	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-57.6	122.3	-176.8	-25.8	34.8	0	0	0	112.1	L251	P249-L251 PolarHBondContact O-N 3.39Å; P249-L251 VanDerWaalsContact O-N 3.14Å
250	H	72.3	Confident	82.4	Confident	143 Å²	143	99.1 Å²	99.1	66%	0.662	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-62.8	116.8	173.7	-56.9	-41.9	0	0	0	109.6	Y248 L252 P255	Y248-H250 PolarHBondContact O-N 3.47Å; Y248-H250 VanDerWaalsContact O-N 3.16Å; H250-L252 PolarHBondContact O-N 2.91Å; H250-L252 VanDerWaalsContact O-N 3.11Å; H250-P255 HydrophobicContact CB-CG 3.86Å
251	L	68.1	Low	82.4	Confident	148 Å²	148	103.6 Å²	103.6	78%	0.775	50%	0.496	S	S	*	.	S	Bend	trans	-76.8	10.3	-177.6	-59.9	176.8	0	0	0	113.6	P249	P249-L251 PolarHBondContact O-N 3.39Å; P249-L251 VanDerWaalsContact O-N 3.14Å
252	L	65.8	Low	82.5	Confident	100 Å²	100	103.7 Å²	103.7	52%	0.524	50%	0.496	S	S	.	.	S	Bend	trans	-135.7	134.1	-172.4	-62.8	174.8	0	0	0	109.6	H250 T254 L258	H250-L252 PolarHBondContact O-N 2.91Å; H250-L252 VanDerWaalsContact O-N 3.11Å; L252-T254 PolarHBondContact O-N 2.7Å; L252-T254 VanDerWaalsContact O-N 3.16Å; L252-L258 HydrophobicContact CD1-CD2 3.46Å; L252-L258 VanDerWaalsContact CD1-CD2 3.46Å
253	E	58.4	Low	82.8	Confident	201 Å²	201	103.8 Å²	103.8	94%	0.939	50%	0.499	S	S	*	.	S	Bend	trans	-65.1	-22.4	-168.6	-60.8	178.4	132.4	0	0	114.1
254	T	75.6	Confident	82.9	Confident	79 Å²	79	99 Å²	99	49%	0.485	48%	0.481	S	S	.	.			trans	-143	91.1	175.1	39.5	0	0	0	0	111.4	L252 E256 N257 L258	L252-T254 PolarHBondContact O-N 2.7Å; L252-T254 VanDerWaalsContact O-N 3.16Å; T254-E256 VanDerWaalsContact C-N 3.27Å; T254-E256 PolarHBondContact O-N 2.82Å; T254-N257 PolarHBondContact O-N 3.22Å; T254-N257 WeakPolarHBondContact OG1-CB 3.5Å; T254-L258 PolarHBondContact O-N 2.8Å
255	P	78.6	Confident	83.1	Confident	52 Å²	52	96 Å²	96	34%	0.338	47%	0.472	S	S	.	.	H	α-helix	trans	-57.4	-39.7	176.2	-25.7	35.3	0	0	0	112.8	H250 N257 L258 M259	H250-P255 HydrophobicContact CB-CG 3.86Å; P255-N257 PolarHBondContact O-N 3.23Å; P255-L258 PolarHBondContact O-N 2.62Å; P255-M259 WeakPolarHBondContact O-CG 3.37Å; P255-M259 PolarHBondContact O-N 2.8Å
256	E	83.6	Confident	83.4	Confident	147 Å²	147	95.7 Å²	95.7	69%	0.687	47%	0.466	S	S	*	.	H	α-helix	trans	-57.7	-46.6	176.1	-175.4	-176.9	173.3	0	0	112.4	T254 L258 M259 N260	T254-E256 VanDerWaalsContact C-N 3.27Å; T254-E256 PolarHBondContact O-N 2.82Å; E256-L258 PolarHBondContact O-N 3.48Å; E256-M259 PolarHBondContact O-N 2.81Å; E256-N260 WeakPolarHBondContact O-CB 3.44Å; E256-N260 PolarHBondContact O-N 3.45Å; E256-N260 PolarHBondContact O-ND2 2.64Å
257	N	86.8	Confident	83.8	Confident	78 Å²	78	91 Å²	91	42%	0.417	44%	0.441	S	S	.	.	H	α-helix	trans	-68.5	-34.3	179.4	-170.2	31.9	0	0	0	112.1	T254 P255 R261 Q285	T254-N257 PolarHBondContact O-N 3.22Å; T254-N257 WeakPolarHBondContact OG1-CB 3.5Å; P255-N257 PolarHBondContact O-N 3.23Å; N257-R261 WeakPolarHBondContact O-CB 3.4Å; N257-R261 PolarHBondContact O-N 3.4Å; N257-Q285 PolarHBondContact OD1-NE2 3.33Å
258	L	87.2	Confident	84.1	Confident	47 Å²	47	82.4 Å²	82.4	25%	0.246	41%	0.409	C	S	.	.	H	α-helix	trans	-62.5	-49.7	169.5	176.2	64.7	0	0	0	110.8	L252 T254 P255 E256 N260 R261 L262	L252-L258 HydrophobicContact CD1-CD2 3.46Å; L252-L258 VanDerWaalsContact CD1-CD2 3.46Å; T254-L258 PolarHBondContact O-N 2.8Å; P255-L258 PolarHBondContact O-N 2.62Å; E256-L258 PolarHBondContact O-N 3.48Å; L258-N260 VanDerWaalsContact C-N 3.34Å; L258-N260 PolarHBondContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 2.84Å; L258-R261 VanDerWaalsContact O-N 3.15Å; L258-L262 HydrophobicContact CD1-CD1 4.12Å; L258-L262 HydrophobicContact CD1-CD2 4.46Å; L258-L262 HydrophobicContact CD1-CG 4Å; L258-L262 HydrophobicContact CD2-CD1 4.24Å; L258-L262 HydrophobicContact CG-CD1 3.83Å; L258-L262 HydrophobicContact CG-CG 4.16Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3Å
259	M	88.9	Confident	84.4	Confident	102 Å²	102	76 Å²	76	50%	0.502	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-43.4	-178.7	-71.5	-58.9	-66.9	0	0	111.6	P255 E256 R261 L262 V263	P255-M259 WeakPolarHBondContact O-CG 3.37Å; P255-M259 PolarHBondContact O-N 2.8Å; E256-M259 PolarHBondContact O-N 2.81Å; M259-R261 VanDerWaalsContact C-N 3.33Å; M259-R261 PolarHBondContact O-N 3.44Å; M259-L262 PolarHBondContact O-N 2.71Å; M259-L262 HydrophobicContact SD-CD1 4.17Å; M259-V263 WeakPolarHBondContact O-CG2 3.49Å; M259-V263 PolarHBondContact O-N 3.08Å
260	N	92.3	Very high	84.8	Confident	30 Å²	30	72.5 Å²	72.5	16%	0.16	36%	0.361	C	S	.	.	H	α-helix	trans	-59	-43.5	174.3	-69.2	-18.2	0	0	0	111.3	E256 L258 V263 S264 F279 T283 Q285	E256-N260 WeakPolarHBondContact O-CB 3.44Å; E256-N260 PolarHBondContact O-N 3.45Å; E256-N260 PolarHBondContact O-ND2 2.64Å; L258-N260 VanDerWaalsContact C-N 3.34Å; L258-N260 PolarHBondContact O-N 3.15Å; N260-V263 PolarHBondContact O-N 3.46Å; N260-S264 WeakPolarHBondContact O-CB 3.26Å; N260-S264 PolarHBondContact O-N 3.17Å; N260-F279 HydrophobicContact CB-CE1 4.35Å; N260-F279 HydrophobicContact CB-CZ 4.33Å; N260-F279 WeakPolarHBondContact O-CE1 3.11Å; N260-T283 HydrophobicContact CB-CG2 4.25Å; N260-Q285 HydrophobicContact CB-CG 3.99Å
261	R	90.8	Very high	85.8	Confident	144 Å²	144	65.8 Å²	65.8	54%	0.543	33%	0.33	S	S	.	.	H	α-helix	trans	-66.6	-36.2	175.7	-166.3	172.4	61	-177.1	-2.3	113.3	N257 L258 M259 T265	N257-R261 WeakPolarHBondContact O-CB 3.4Å; N257-R261 PolarHBondContact O-N 3.4Å; L258-R261 PolarHBondContact O-N 2.84Å; L258-R261 VanDerWaalsContact O-N 3.15Å; M259-R261 VanDerWaalsContact C-N 3.33Å; M259-R261 PolarHBondContact O-N 3.44Å; R261-T265 WeakPolarHBondContact O-CB 3.23Å; R261-T265 WeakPolarHBondContact O-CG2 3.44Å; R261-T265 PolarHBondContact O-N 3.3Å; R261-T265 PolarHBondContact O-OG1 2.95Å
262	L	92	Very high	86.9	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-43.7	176.3	-71.5	174.2	0	0	0	111.7	L258 M259 T265 Y266 P563 L564 L567	L258-L262 HydrophobicContact CD1-CD1 4.12Å; L258-L262 HydrophobicContact CD1-CD2 4.46Å; L258-L262 HydrophobicContact CD1-CG 4Å; L258-L262 HydrophobicContact CD2-CD1 4.24Å; L258-L262 HydrophobicContact CG-CD1 3.83Å; L258-L262 HydrophobicContact CG-CG 4.16Å; L258-L262 WeakPolarHBondContact O-CG 3.23Å; L258-L262 PolarHBondContact O-N 3Å; M259-L262 PolarHBondContact O-N 2.71Å; M259-L262 HydrophobicContact SD-CD1 4.17Å; L262-T265 PolarHBondContact O-OG1 2.87Å; L262-T265 VanDerWaalsContact O-OG1 3.12Å; L262-Y266 WeakPolarHBondContact O-CB 3.5Å; L262-Y266 PolarHBondContact O-N 3.38Å; L262-P563 HydrophobicContact CD2-CB 3.85Å; L262-L564 HydrophobicContact CB-CB 4.42Å; L262-L564 HydrophobicContact CB-CD1 4.39Å; L262-L564 HydrophobicContact CD1-CD1 4.48Å; L262-L567 HydrophobicContact CD1-CD1 3.58Å; L262-L567 HydrophobicContact CD2-CD1 3.77Å; L262-L567 HydrophobicContact CG-CD1 4.35Å
263	V	93.4	Very high	87.9	Confident	46 Å²	46	58.5 Å²	58.5	28%	0.279	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-47.1	174.6	173.3	0	0	0	0	110.5	M259 N260 T265 Y266 L267 F279	M259-V263 WeakPolarHBondContact O-CG2 3.49Å; M259-V263 PolarHBondContact O-N 3.08Å; N260-V263 PolarHBondContact O-N 3.46Å; V263-T265 PolarHBondContact O-N 2.99Å; V263-Y266 PolarHBondContact O-N 2.96Å; V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 VanDerWaalsContact O-CG 3.32Å; V263-L267 WeakPolarHBondContact O-CG 3.43Å; V263-L267 PolarHBondContact O-N 2.68Å; V263-F279 HydrophobicContact CB-CE1 3.97Å; V263-F279 HydrophobicContact CB-CE2 4.46Å; V263-F279 HydrophobicContact CB-CZ 3.78Å; V263-F279 HydrophobicContact CG1-CD1 4.24Å; V263-F279 HydrophobicContact CG1-CD2 4.26Å; V263-F279 HydrophobicContact CG1-CE1 3.81Å; V263-F279 HydrophobicContact CG1-CE2 3.82Å; V263-F279 HydrophobicContact CG1-CG 4.45Å; V263-F279 HydrophobicContact CG1-CZ 3.58Å
264	S	92.8	Very high	89.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-53.8	-51.8	176.5	179.9	0	0	0	0	112.3	N260 Y266 L267 V268 N280	N260-S264 WeakPolarHBondContact O-CB 3.26Å; N260-S264 PolarHBondContact O-N 3.17Å; S264-Y266 PolarHBondContact O-N 3.46Å; S264-L267 PolarHBondContact O-N 3.17Å; S264-V268 WeakPolarHBondContact O-CG2 3.31Å; S264-V268 PolarHBondContact O-N 3.19Å; S264-N280 WeakPolarHBondContact CB-OD1 3.33Å; S264-N280 PolarHBondContact OG-ND2 3.35Å; S264-N280 PolarHBondContact OG-OD1 3.07Å
265	T	92	Very high	90.2	Very high	47 Å²	47	53.6 Å²	53.6	29%	0.288	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-36.4	178.1	49.1	0	0	0	0	112.6	R261 L262 V263 H269	R261-T265 WeakPolarHBondContact O-CB 3.23Å; R261-T265 WeakPolarHBondContact O-CG2 3.44Å; R261-T265 PolarHBondContact O-N 3.3Å; R261-T265 PolarHBondContact O-OG1 2.95Å; L262-T265 PolarHBondContact O-OG1 2.87Å; L262-T265 VanDerWaalsContact O-OG1 3.12Å; V263-T265 PolarHBondContact O-N 2.99Å; T265-H269 WeakPolarHBondContact O-CB 3.32Å; T265-H269 PolarHBondContact O-N 3.49Å
266	Y	93.9	Very high	90.9	Very high	76 Å²	76	51.2 Å²	51.2	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-44.4	173.1	-179.2	-89.8	0	0	0	113	L262 V263 S264 H269 N270 F272 P562 L564 E565	L262-Y266 WeakPolarHBondContact O-CB 3.5Å; L262-Y266 PolarHBondContact O-N 3.38Å; V263-Y266 PolarHBondContact O-N 2.96Å; S264-Y266 PolarHBondContact O-N 3.46Å; Y266-H269 PolarHBondContact O-N 3Å; Y266-N270 VanDerWaalsContact CE2-ND2 3.34Å; Y266-N270 WeakPolarHBondContact CE2-ND2 3.44Å; Y266-N270 PolarHBondContact O-N 3.29Å; Y266-N270 VanDerWaalsContact O-N 3.09Å; Y266-N270 PolarHBondContact O-ND2 3.21Å; Y266-F272 HydrophobicContact CE1-CE2 4.15Å; Y266-P562 HydrophobicContact CD2-CB 4.03Å; Y266-P562 HydrophobicContact CD2-CG 3.51Å; Y266-P562 HydrophobicContact CE2-CG 4.07Å; Y266-P562 HydrophobicContact CG-CG 4.47Å; Y266-L564 HydrophobicContact CD2-CD2 4.31Å; Y266-L564 HydrophobicContact CG-CD2 4.24Å; Y266-E565 HydrophobicContact CE2-CG 4.44Å
267	L	93.4	Very high	91.2	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-41.7	179	-67.6	173.5	0	0	0	112	V263 S264 A271 F272 T275 A276 F279	V263-L267 HydrophobicContact CG1-CD1 3.9Å; V263-L267 HydrophobicContact CG1-CG 4.22Å; V263-L267 VanDerWaalsContact O-CG 3.32Å; V263-L267 WeakPolarHBondContact O-CG 3.43Å; V263-L267 PolarHBondContact O-N 2.68Å; S264-L267 PolarHBondContact O-N 3.17Å; L267-A271 PolarHBondContact O-N 3.47Å; L267-F272 HydrophobicContact CD2-CB 4.2Å; L267-F272 HydrophobicContact CD2-CD2 3.89Å; L267-F272 HydrophobicContact CD2-CG 4.5Å; L267-F272 PolarHBondContact O-N 3.35Å; L267-T275 HydrophobicContact CD1-CG2 4.13Å; L267-T275 HydrophobicContact CD2-CG2 3.92Å; L267-A276 HydrophobicContact CB-CB 3.87Å; L267-F279 HydrophobicContact CD1-CB 3.91Å; L267-F279 HydrophobicContact CD1-CD1 4.24Å; L267-F279 HydrophobicContact CD1-CG 4.01Å
268	V	92.2	Very high	91.5	Very high	11 Å²	11	50 Å²	50	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-45.3	176.1	172.8	0	0	0	0	110.9	S264 N270 A271 A276 F287 I294 R297	S264-V268 WeakPolarHBondContact O-CG2 3.31Å; S264-V268 PolarHBondContact O-N 3.19Å; V268-N270 PolarHBondContact O-N 3.21Å; V268-A271 PolarHBondContact O-N 2.85Å; V268-A276 HydrophobicContact CG2-CB 3.95Å; V268-F287 HydrophobicContact CG1-CD2 3.89Å; V268-F287 HydrophobicContact CG1-CE2 4.39Å; V268-F287 HydrophobicContact CG1-CG 4.24Å; V268-F287 HydrophobicContact CG2-CB 4.21Å; V268-F287 HydrophobicContact CG2-CD1 3.76Å; V268-F287 HydrophobicContact CG2-CD2 4.03Å; V268-F287 HydrophobicContact CG2-CE1 4.11Å; V268-F287 HydrophobicContact CG2-CE2 4.38Å; V268-F287 HydrophobicContact CG2-CG 3.71Å; V268-F287 HydrophobicContact CG2-CZ 4.41Å; V268-I294 HydrophobicContact CG1-CD1 3.95Å; V268-R297 PolarHBondContact O-NH2 2.9Å
269	H	92.1	Very high	91.9	Very high	16 Å²	16	50.2 Å²	50.2	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-49.1	178.2	-168.8	-69.6	0	0	0	111.3	T265 Y266 A271 R297 N549 L553 E559 R560 R561 P562	T265-H269 WeakPolarHBondContact O-CB 3.32Å; T265-H269 PolarHBondContact O-N 3.49Å; Y266-H269 PolarHBondContact O-N 3Å; H269-A271 PolarHBondContact O-N 3.04Å; H269-R297 PolarHBondContact O-NH1 2.85Å; H269-N549 PolarHBondContact O-ND2 3.3Å; H269-L553 HydrophobicContact CB-CD1 4.49Å; H269-L553 VanDerWaalsContact CE1-CD1 3.43Å; H269-L553 WeakPolarHBondContact CE1-CD1 3.27Å; H269-L553 WeakPolarHBondContact NE2-CD1 3.49Å; H269-E559 PolarHBondContact CD2-O 3.35Å; H269-E559 PolarHBondContact NE2-O 3.23Å; H269-R560 PolarHBondContact CE1-O 3.17Å; H269-R560 PolarHBondContact NE2-O 3.25Å; H269-R561 WeakPolarHBondContact NE2-CA 3.39Å; H269-P562 HydrophobicContact CB-CB 4.04Å; H269-P562 HydrophobicContact CB-CG 4.43Å
270	N	91.5	Very high	92.1	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	7.6	178.4	-69	-77.9	0	0	0	114.6	Y266 V268 F272	Y266-N270 VanDerWaalsContact CE2-ND2 3.34Å; Y266-N270 WeakPolarHBondContact CE2-ND2 3.44Å; Y266-N270 PolarHBondContact O-N 3.29Å; Y266-N270 VanDerWaalsContact O-N 3.09Å; Y266-N270 PolarHBondContact O-ND2 3.21Å; V268-N270 PolarHBondContact O-N 3.21Å; N270-F272 VanDerWaalsContact C-N 3.27Å; N270-F272 HydrophobicContact CB-CD2 3.68Å; N270-F272 HydrophobicContact CB-CE1 4.46Å; N270-F272 HydrophobicContact CB-CE2 3.36Å; N270-F272 HydrophobicContact CB-CG 4.36Å; N270-F272 HydrophobicContact CB-CZ 3.8Å; N270-F272 PolarHBondContact O-N 3.02Å
271	A	91.8	Very high	92.1	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	30.7	178.1	0	0	0	0	0	115.3	L267 V268 H269 S273 I294 R297 Q298 I301	L267-A271 PolarHBondContact O-N 3.47Å; V268-A271 PolarHBondContact O-N 2.85Å; H269-A271 PolarHBondContact O-N 3.04Å; A271-S273 PolarHBondContact O-N 2.9Å; A271-I294 HydrophobicContact CB-CG2 4.15Å; A271-R297 HydrophobicContact CB-CB 4.26Å; A271-Q298 HydrophobicContact CB-CB 3.93Å; A271-Q298 WeakPolarHBondContact O-CG 3.47Å; A271-I301 HydrophobicContact CB-CD1 3.92Å
272	F	90.9	Very high	92.2	Very high	82 Å²	82	50 Å²	50	36%	0.36	27%	0.266	S	S	.	.			trans	-75.7	60.7	173.3	-59.4	-46.7	0	0	0	110.9	Y266 L267 N270 K274 T275 A276	Y266-F272 HydrophobicContact CE1-CE2 4.15Å; L267-F272 HydrophobicContact CD2-CB 4.2Å; L267-F272 HydrophobicContact CD2-CD2 3.89Å; L267-F272 HydrophobicContact CD2-CG 4.5Å; L267-F272 PolarHBondContact O-N 3.35Å; N270-F272 VanDerWaalsContact C-N 3.27Å; N270-F272 HydrophobicContact CB-CD2 3.68Å; N270-F272 HydrophobicContact CB-CE1 4.46Å; N270-F272 HydrophobicContact CB-CE2 3.36Å; N270-F272 HydrophobicContact CB-CG 4.36Å; N270-F272 HydrophobicContact CB-CZ 3.8Å; N270-F272 PolarHBondContact O-N 3.02Å; F272-K274 PolarHBondContact O-N 3.23Å; F272-T275 PolarHBondContact O-N 3.33Å; F272-T275 VanDerWaalsContact O-N 3.08Å; F272-A276 PolarHBondContact O-N 2.85Å
273	S	88.5	Confident	92.3	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-49.5	-55.1	-163.7	56.5	0	0	0	0	114.8	A271 T275 A276 E277 Q298	A271-S273 PolarHBondContact O-N 2.9Å; S273-T275 PolarHBondContact O-N 2.64Å; S273-A276 PolarHBondContact O-N 3.03Å; S273-E277 WeakPolarHBondContact O-CB 3.29Å; S273-E277 PolarHBondContact O-N 2.91Å; S273-Q298 VanDerWaalsContact OG-CD 3.24Å; S273-Q298 PolarHBondContact OG-NE2 3.45Å; S273-Q298 VanDerWaalsContact OG-NE2 3.12Å; S273-Q298 PolarHBondContact OG-OE1 2.93Å
274	K	89.8	Confident	92.1	Very high	94 Å²	94	54.9 Å²	54.9	41%	0.409	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-42.4	178.8	-61.3	-171.3	-169.2	168.7	0	112.8	F272 E277 A278 D436	F272-K274 PolarHBondContact O-N 3.23Å; K274-E277 PolarHBondContact O-N 3.19Å; K274-A278 WeakPolarHBondContact O-CB 3.4Å; K274-A278 PolarHBondContact O-N 3.22Å; K274-D436 VanDerWaalsContact CD-OD1 3.23Å; K274-D436 WeakPolarHBondContact CD-OD1 3.5Å; K274-D436 WeakPolarHBondContact CE-OD1 3.34Å; K274-D436 IonicContact NZ-OD1 3.02Å; K274-D436 PolarHBondContact NZ-OD1 3.24Å; K274-D436 IonicContact NZ-OD2 3.26Å; K274-D436 PolarHBondContact NZ-OD2 3.35Å
275	T	92.9	Very high	92	Very high	83 Å²	83	56 Å²	56	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-65.9	-42.3	-179.9	-44.4	0	0	0	0	110.4	L267 F272 S273 F279	L267-T275 HydrophobicContact CD1-CG2 4.13Å; L267-T275 HydrophobicContact CD2-CG2 3.92Å; F272-T275 PolarHBondContact O-N 3.33Å; F272-T275 VanDerWaalsContact O-N 3.08Å; S273-T275 PolarHBondContact O-N 2.64Å; T275-F279 WeakPolarHBondContact O-CB 3.42Å; T275-F279 PolarHBondContact O-N 3.01Å
276	A	91.6	Very high	91.8	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-47.4	172.7	0	0	0	0	0	111.4	L267 V268 F272 S273 F279 N280	L267-A276 HydrophobicContact CB-CB 3.87Å; V268-A276 HydrophobicContact CG2-CB 3.95Å; F272-A276 PolarHBondContact O-N 2.85Å; S273-A276 PolarHBondContact O-N 3.03Å; A276-F279 PolarHBondContact O-N 2.6Å; A276-N280 WeakPolarHBondContact O-CB 3.34Å; A276-N280 PolarHBondContact O-N 2.83Å; A276-N280 PolarHBondContact O-ND2 3.38Å; A276-N280 VanDerWaalsContact O-ND2 3.11Å; A276-N280 PolarHBondContact O-OD1 2.7Å
277	E	90.3	Very high	91.1	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-50.6	179.2	-175.5	169.3	-157	0	0	112	S273 K274 G281	S273-E277 WeakPolarHBondContact O-CB 3.29Å; S273-E277 PolarHBondContact O-N 2.91Å; K274-E277 PolarHBondContact O-N 3.19Å; E277-G281 PolarHBondContact O-N 3.01Å
278	A	93.9	Very high	90.5	Very high	71 Å²	71	66.6 Å²	66.6	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-64.8	-45	177.4	0	0	0	0	0	112.7	K274 Y282	K274-A278 WeakPolarHBondContact O-CB 3.4Å; K274-A278 PolarHBondContact O-N 3.22Å; A278-Y282 PolarHBondContact O-N 2.9Å; A278-Y282 VanDerWaalsContact O-N 3.16Å
279	F	94.5	Very high	90.1	Very high	52 Å²	52	67.1 Å²	67.1	23%	0.228	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-44.8	179.1	-177.6	-90.9	0	0	0	111.8	N260 V263 L267 T275 A276 Y282 T283	N260-F279 HydrophobicContact CB-CE1 4.35Å; N260-F279 HydrophobicContact CB-CZ 4.33Å; N260-F279 WeakPolarHBondContact O-CE1 3.11Å; V263-F279 HydrophobicContact CB-CE1 3.97Å; V263-F279 HydrophobicContact CB-CE2 4.46Å; V263-F279 HydrophobicContact CB-CZ 3.78Å; V263-F279 HydrophobicContact CG1-CD1 4.24Å; V263-F279 HydrophobicContact CG1-CD2 4.26Å; V263-F279 HydrophobicContact CG1-CE1 3.81Å; V263-F279 HydrophobicContact CG1-CE2 3.82Å; V263-F279 HydrophobicContact CG1-CG 4.45Å; V263-F279 HydrophobicContact CG1-CZ 3.58Å; L267-F279 HydrophobicContact CD1-CB 3.91Å; L267-F279 HydrophobicContact CD1-CD1 4.24Å; L267-F279 HydrophobicContact CD1-CG 4.01Å; T275-F279 WeakPolarHBondContact O-CB 3.42Å; T275-F279 PolarHBondContact O-N 3.01Å; A276-F279 PolarHBondContact O-N 2.6Å; F279-Y282 PolarHBondContact O-N 3.25Å; F279-T283 HydrophobicContact CD1-CG2 4.32Å; F279-T283 HydrophobicContact CD2-CG2 4.4Å; F279-T283 HydrophobicContact CE1-CG2 3.87Å; F279-T283 WeakPolarHBondContact CE1-OG1 3.33Å; F279-T283 HydrophobicContact CE2-CG2 3.98Å; F279-T283 HydrophobicContact CZ-CG2 3.69Å; F279-T283 WeakPolarHBondContact O-CB 3.34Å; F279-T283 WeakPolarHBondContact O-CG2 3.47Å; F279-T283 PolarHBondContact O-N 2.92Å; F279-T283 PolarHBondContact O-OG1 3.43Å
280	N	92.7	Very high	89.8	Confident	10 Å²	10	71.4 Å²	71.4	5%	0.053	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-38.7	-179	-68.5	-16.6	0	0	0	111.8	S264 A276 Y282 T283 N284 Q285 F287	S264-N280 WeakPolarHBondContact CB-OD1 3.33Å; S264-N280 PolarHBondContact OG-ND2 3.35Å; S264-N280 PolarHBondContact OG-OD1 3.07Å; A276-N280 WeakPolarHBondContact O-CB 3.34Å; A276-N280 PolarHBondContact O-N 2.83Å; A276-N280 PolarHBondContact O-ND2 3.38Å; A276-N280 VanDerWaalsContact O-ND2 3.11Å; A276-N280 PolarHBondContact O-OD1 2.7Å; N280-Y282 VanDerWaalsContact C-N 3.32Å; N280-Y282 PolarHBondContact O-N 3.38Å; N280-T283 PolarHBondContact O-N 3.1Å; N280-N284 WeakPolarHBondContact O-CA 3.39Å; N280-N284 PolarHBondContact O-N 2.93Å; N280-Q285 HydrophobicContact CB-CB 4.39Å; N280-Q285 PolarHBondContact O-N 2.77Å; N280-F287 VanDerWaalsContact ND2-CD1 3.28Å; N280-F287 WeakPolarHBondContact ND2-CD1 3.5Å; N280-F287 WeakPolarHBondContact ND2-CE1 3.42Å
281	G	92.4	Very high	89.4	Confident	61 Å²	61	73.5 Å²	73.5	63%	0.629	39%	0.394	S	S	*	.	H	α-helix	trans	-62.3	-36.3	173.2	0	0	0	0	0	113.2	E277	E277-G281 PolarHBondContact O-N 3.01Å
282	Y	94.1	Very high	89.2	Confident	201 Å²	201	76.1 Å²	76.1	79%	0.788	42%	0.415	S	S	*	.	H	α-helix	trans	-75.4	-41	175.2	-174.1	-97.1	0	0	0	112.9	A278 F279 N280	A278-Y282 PolarHBondContact O-N 2.9Å; A278-Y282 VanDerWaalsContact O-N 3.16Å; F279-Y282 PolarHBondContact O-N 3.25Å; N280-Y282 VanDerWaalsContact C-N 3.32Å; N280-Y282 PolarHBondContact O-N 3.38Å
283	T	92.9	Very high	89.1	Confident	18 Å²	18	73.3 Å²	73.3	11%	0.11	41%	0.406	C	S	.	.	H	α-helix	trans	-95.8	5.8	-173.3	58	0	0	0	0	114.7	N260 F279 N280 Q285	N260-T283 HydrophobicContact CB-CG2 4.25Å; F279-T283 HydrophobicContact CD1-CG2 4.32Å; F279-T283 HydrophobicContact CD2-CG2 4.4Å; F279-T283 HydrophobicContact CE1-CG2 3.87Å; F279-T283 WeakPolarHBondContact CE1-OG1 3.33Å; F279-T283 HydrophobicContact CE2-CG2 3.98Å; F279-T283 HydrophobicContact CZ-CG2 3.69Å; F279-T283 WeakPolarHBondContact O-CB 3.34Å; F279-T283 WeakPolarHBondContact O-CG2 3.47Å; F279-T283 PolarHBondContact O-N 2.92Å; F279-T283 PolarHBondContact O-OG1 3.43Å; N280-T283 PolarHBondContact O-N 3.1Å; T283-Q285 PolarHBondContact O-N 3.18Å; T283-Q285 PolarHBondContact O-NE2 3.45Å; T283-Q285 VanDerWaalsContact O-NE2 3.1Å; T283-Q285 VanDerWaalsContact OG1-CG 3.3Å; T283-Q285 WeakPolarHBondContact OG1-CG 3.36Å
284	N	90.9	Very high	89.2	Confident	142 Å²	142	72.9 Å²	72.9	76%	0.759	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	31.3	-176.9	-65.4	-88.3	0	0	0	114.2	N280	N280-N284 WeakPolarHBondContact O-CA 3.39Å; N280-N284 PolarHBondContact O-N 2.93Å
285	Q	90.4	Very high	89.2	Confident	25 Å²	25	73.8 Å²	73.8	12%	0.117	41%	0.406	C	S	.	.			trans	-85.2	148.7	178.1	-60.3	-59.6	-59.3	0	0	111.2	N257 N260 N280 T283	N257-Q285 PolarHBondContact OD1-NE2 3.33Å; N260-Q285 HydrophobicContact CB-CG 3.99Å; N280-Q285 HydrophobicContact CB-CB 4.39Å; N280-Q285 PolarHBondContact O-N 2.77Å; T283-Q285 PolarHBondContact O-N 3.18Å; T283-Q285 PolarHBondContact O-NE2 3.45Å; T283-Q285 VanDerWaalsContact O-NE2 3.1Å; T283-Q285 VanDerWaalsContact OG1-CG 3.3Å; T283-Q285 WeakPolarHBondContact OG1-CG 3.36Å
286	T	86.6	Confident	89.2	Confident	133 Å²	133	72 Å²	72	82%	0.816	40%	0.395	S	S	*	.			trans	-127.4	150.7	175.4	58.5	0	0	0	0	110.6
287	F	80.8	Confident	89.4	Confident	80 Å²	80	71.9 Å²	71.9	35%	0.351	39%	0.394	S	S	.	.			trans	-136.3	157	178.4	62.4	-87.2	0	0	0	109.7	V268 N280 E289 I294	V268-F287 HydrophobicContact CG1-CD2 3.89Å; V268-F287 HydrophobicContact CG1-CE2 4.39Å; V268-F287 HydrophobicContact CG1-CG 4.24Å; V268-F287 HydrophobicContact CG2-CB 4.21Å; V268-F287 HydrophobicContact CG2-CD1 3.76Å; V268-F287 HydrophobicContact CG2-CD2 4.03Å; V268-F287 HydrophobicContact CG2-CE1 4.11Å; V268-F287 HydrophobicContact CG2-CE2 4.38Å; V268-F287 HydrophobicContact CG2-CG 3.71Å; V268-F287 HydrophobicContact CG2-CZ 4.41Å; N280-F287 VanDerWaalsContact ND2-CD1 3.28Å; N280-F287 WeakPolarHBondContact ND2-CD1 3.5Å; N280-F287 WeakPolarHBondContact ND2-CE1 3.42Å; F287-E289 HydrophobicContact CD2-CB 4.17Å; F287-E289 HydrophobicContact CE2-CB 4.49Å; F287-E289 VanDerWaalsContact CE2-O 3.32Å; F287-E289 WeakPolarHBondContact CE2-O 3.16Å; F287-I294 HydrophobicContact CD2-CD1 4.18Å; F287-I294 HydrophobicContact CE2-CD1 3.39Å; F287-I294 HydrophobicContact CZ-CD1 3.93Å
288	N	80.2	Confident	89.5	Confident	153 Å²	153	68 Å²	68	82%	0.818	38%	0.376	S	S	*	.			trans	-112.4	54.3	-173.2	-170.5	46.8	0	0	0	111.8	F558	N288-F558 VanDerWaalsContact O-CE1 3.24Å; N288-F558 WeakPolarHBondContact O-CE1 3.43Å; N288-F558 VanDerWaalsContact O-CZ 3.23Å; N288-F558 WeakPolarHBondContact O-CZ 3.33Å
289	E	83.1	Confident	89.6	Confident	23 Å²	23	69.7 Å²	69.7	11%	0.107	37%	0.37	C	S	.	.	S	Bend	trans	-129.6	142.4	170	-171.6	-175.1	172.1	0	0	108.7	F287 S293 I294 R297 F558	F287-E289 HydrophobicContact CD2-CB 4.17Å; F287-E289 HydrophobicContact CE2-CB 4.49Å; F287-E289 VanDerWaalsContact CE2-O 3.32Å; F287-E289 WeakPolarHBondContact CE2-O 3.16Å; E289-S293 VanDerWaalsContact OE1-CB 3.3Å; E289-S293 WeakPolarHBondContact OE1-CB 3.19Å; E289-S293 PolarHBondContact OE1-OG 2.88Å; E289-I294 HydrophobicContact CB-CD1 4.38Å; E289-I294 HydrophobicContact CB-CG1 4.4Å; E289-I294 VanDerWaalsContact CD-CG1 3.42Å; E289-I294 HydrophobicContact CG-CD1 4.5Å; E289-I294 HydrophobicContact CG-CG1 3.99Å; E289-I294 PolarHBondContact OE1-N 3.12Å; E289-I294 WeakPolarHBondContact OE2-CG1 3.5Å; E289-R297 IonicContact OE1-CZ 3.63Å; E289-R297 IonicContact OE1-NE 2.72Å; E289-R297 PolarHBondContact OE1-NE 3.18Å; E289-R297 IonicContact OE1-NH2 3.58Å; E289-R297 PolarHBondContact OE1-NH2 3.26Å; E289-R297 IonicContact OE2-CZ 3.75Å; E289-R297 IonicContact OE2-NE 2.77Å; E289-R297 IonicContact OE2-NH2 3.48Å; E289-R297 PolarHBondContact OE2-NH2 3.03Å; E289-F558 HydrophobicContact CB-CE2 4.24Å; E289-F558 HydrophobicContact CB-CZ 3.94Å; E289-F558 HydrophobicContact CG-CE2 3.84Å; E289-F558 HydrophobicContact CG-CZ 4.01Å
290	D	85.5	Confident	89.7	Confident	105 Å²	105	67.4 Å²	67.4	56%	0.561	36%	0.36	S	S	*	.			trans	-70.8	143.9	175.2	170.1	58	0	0	0	112.6	A292 S293 I294	D290-A292 VanDerWaalsContact C-N 3.29Å; D290-A292 PolarHBondContact O-N 3.41Å; D290-A292 WeakPolarHBondContact OD2-CA 3.48Å; D290-A292 WeakPolarHBondContact OD2-CB 3.42Å; D290-A292 PolarHBondContact OD2-N 3.15Å; D290-S293 VanDerWaalsContact O-CB 3.31Å; D290-S293 WeakPolarHBondContact O-CB 3.47Å; D290-S293 PolarHBondContact O-N 3.49Å; D290-S293 VanDerWaalsContact O-N 3.12Å; D290-S293 PolarHBondContact OD2-N 3.03Å; D290-I294 PolarHBondContact O-N 2.76Å; D290-I294 VanDerWaalsContact O-N 3.1Å
291	L	83.6	Confident	89.8	Confident	67 Å²	67	68.1 Å²	68.1	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-27.1	-178.2	-174.6	59.7	0	0	0	112.9	K295	L291-K295 HydrophobicContact CD1-CD 4.49Å; L291-K295 HydrophobicContact CG-CD 4.15Å; L291-K295 WeakPolarHBondContact O-CB 3.19Å; L291-K295 VanDerWaalsContact O-CG 3.26Å; L291-K295 WeakPolarHBondContact O-CG 3.18Å; L291-K295 PolarHBondContact O-N 3.24Å
292	A	86.9	Confident	89.9	Confident	56 Å²	56	67.9 Å²	67.9	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-76.4	-30.4	173.6	0	0	0	0	0	112.1	D290 T296	D290-A292 VanDerWaalsContact C-N 3.29Å; D290-A292 PolarHBondContact O-N 3.41Å; D290-A292 WeakPolarHBondContact OD2-CA 3.48Å; D290-A292 WeakPolarHBondContact OD2-CB 3.42Å; D290-A292 PolarHBondContact OD2-N 3.15Å; A292-T296 VanDerWaalsContact O-CB 3.31Å; A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.05Å; A292-T296 PolarHBondContact O-OG1 2.84Å
293	S	89.8	Confident	89.9	Confident	23 Å²	23	59.2 Å²	59.2	16%	0.161	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-54.1	166.9	179.2	0	0	0	0	110.7	E289 D290 K295 T296 R297	E289-S293 VanDerWaalsContact OE1-CB 3.3Å; E289-S293 WeakPolarHBondContact OE1-CB 3.19Å; E289-S293 PolarHBondContact OE1-OG 2.88Å; D290-S293 VanDerWaalsContact O-CB 3.31Å; D290-S293 WeakPolarHBondContact O-CB 3.47Å; D290-S293 PolarHBondContact O-N 3.49Å; D290-S293 VanDerWaalsContact O-N 3.12Å; D290-S293 PolarHBondContact OD2-N 3.03Å; S293-K295 PolarHBondContact O-N 3.31Å; S293-T296 WeakPolarHBondContact O-CA 3.43Å; S293-T296 WeakPolarHBondContact O-CB 3.26Å; S293-T296 PolarHBondContact O-N 2.96Å; S293-R297 PolarHBondContact O-N 3.45Å
294	I	89.5	Confident	90	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-56.5	-47.9	179	-62.3	173.8	0	0	0	111	V268 A271 F287 E289 D290 T296 R297 Q298	V268-I294 HydrophobicContact CG1-CD1 3.95Å; A271-I294 HydrophobicContact CB-CG2 4.15Å; F287-I294 HydrophobicContact CD2-CD1 4.18Å; F287-I294 HydrophobicContact CE2-CD1 3.39Å; F287-I294 HydrophobicContact CZ-CD1 3.93Å; E289-I294 HydrophobicContact CB-CD1 4.38Å; E289-I294 HydrophobicContact CB-CG1 4.4Å; E289-I294 VanDerWaalsContact CD-CG1 3.42Å; E289-I294 HydrophobicContact CG-CD1 4.5Å; E289-I294 HydrophobicContact CG-CG1 3.99Å; E289-I294 PolarHBondContact OE1-N 3.12Å; E289-I294 WeakPolarHBondContact OE2-CG1 3.5Å; D290-I294 PolarHBondContact O-N 2.76Å; D290-I294 VanDerWaalsContact O-N 3.1Å; I294-T296 VanDerWaalsContact C-N 3.27Å; I294-T296 PolarHBondContact O-N 2.97Å; I294-R297 PolarHBondContact O-N 3.01Å; I294-Q298 VanDerWaalsContact O-CB 3.28Å; I294-Q298 WeakPolarHBondContact O-CB 3.29Å; I294-Q298 PolarHBondContact O-N 3.32Å
295	K	90.6	Very high	90.1	Very high	114 Å²	114	54.2 Å²	54.2	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-31.9	178.1	-74.5	171	179	173.8	0	112.8	L291 S293 K299	L291-K295 HydrophobicContact CD1-CD 4.49Å; L291-K295 HydrophobicContact CG-CD 4.15Å; L291-K295 WeakPolarHBondContact O-CB 3.19Å; L291-K295 VanDerWaalsContact O-CG 3.26Å; L291-K295 WeakPolarHBondContact O-CG 3.18Å; L291-K295 PolarHBondContact O-N 3.24Å; S293-K295 PolarHBondContact O-N 3.31Å; K295-K299 PolarHBondContact O-N 3.39Å; K295-K299 VanDerWaalsContact O-N 3.11Å
296	T	93.3	Very high	90.2	Very high	44 Å²	44	56.4 Å²	56.4	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-69.8	-47.2	174.6	-60.7	0	0	0	0	111.3	A292 S293 I294 K299 I300 S319 F320	A292-T296 VanDerWaalsContact O-CB 3.31Å; A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.05Å; A292-T296 PolarHBondContact O-OG1 2.84Å; S293-T296 WeakPolarHBondContact O-CA 3.43Å; S293-T296 WeakPolarHBondContact O-CB 3.26Å; S293-T296 PolarHBondContact O-N 2.96Å; I294-T296 VanDerWaalsContact C-N 3.27Å; I294-T296 PolarHBondContact O-N 2.97Å; T296-K299 PolarHBondContact O-N 3.1Å; T296-I300 HydrophobicContact CG2-CD1 4.38Å; T296-I300 PolarHBondContact O-N 3.27Å; T296-I300 VanDerWaalsContact O-N 3.17Å; T296-S319 WeakPolarHBondContact CG2-OG 3.38Å; T296-F320 HydrophobicContact CG2-CE2 3.97Å; T296-F320 HydrophobicContact CG2-CZ 4.02Å
297	R	94.9	Very high	90.4	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175.1	-63.1	-170	-59.4	99.9	-3.9	111.5	V268 H269 A271 E289 S293 I294 K299 I300 I301 F320 N549 I552	V268-R297 PolarHBondContact O-NH2 2.9Å; H269-R297 PolarHBondContact O-NH1 2.85Å; A271-R297 HydrophobicContact CB-CB 4.26Å; E289-R297 IonicContact OE1-CZ 3.63Å; E289-R297 IonicContact OE1-NE 2.72Å; E289-R297 PolarHBondContact OE1-NE 3.18Å; E289-R297 IonicContact OE1-NH2 3.58Å; E289-R297 PolarHBondContact OE1-NH2 3.26Å; E289-R297 IonicContact OE2-CZ 3.75Å; E289-R297 IonicContact OE2-NE 2.77Å; E289-R297 IonicContact OE2-NH2 3.48Å; E289-R297 PolarHBondContact OE2-NH2 3.03Å; S293-R297 PolarHBondContact O-N 3.45Å; I294-R297 PolarHBondContact O-N 3.01Å; R297-K299 VanDerWaalsContact C-N 3.28Å; R297-K299 PolarHBondContact O-N 3.29Å; R297-I300 PolarHBondContact O-N 3.38Å; R297-I300 VanDerWaalsContact O-N 3.1Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.89Å; R297-F320 HydrophobicContact CG-CZ 4.32Å; R297-N549 PolarHBondContact NH1-OD1 2.78Å; R297-I552 HydrophobicContact CG-CG2 3.88Å
298	Q	93.9	Very high	91.1	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-40.7	175.9	-167.9	177.5	18.8	0	0	112.2	A271 S273 I294 K302	A271-Q298 HydrophobicContact CB-CB 3.93Å; A271-Q298 WeakPolarHBondContact O-CG 3.47Å; S273-Q298 VanDerWaalsContact OG-CD 3.24Å; S273-Q298 PolarHBondContact OG-NE2 3.45Å; S273-Q298 VanDerWaalsContact OG-NE2 3.12Å; S273-Q298 PolarHBondContact OG-OE1 2.93Å; I294-Q298 VanDerWaalsContact O-CB 3.28Å; I294-Q298 WeakPolarHBondContact O-CB 3.29Å; I294-Q298 PolarHBondContact O-N 3.32Å; Q298-K302 WeakPolarHBondContact O-CB 3.42Å; Q298-K302 PolarHBondContact O-N 3.37Å
299	K	95.1	Very high	91.7	Very high	108 Å²	108	41.9 Å²	41.9	47%	0.47	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-44	175.8	-172.1	-179.7	-177.2	-172.6	0	112.2	K295 T296 R297 K302 L303 H315	K295-K299 PolarHBondContact O-N 3.39Å; K295-K299 VanDerWaalsContact O-N 3.11Å; T296-K299 PolarHBondContact O-N 3.1Å; R297-K299 VanDerWaalsContact C-N 3.28Å; R297-K299 PolarHBondContact O-N 3.29Å; K299-K302 PolarHBondContact O-N 2.84Å; K299-L303 HydrophobicContact CG-CD1 4.31Å; K299-L303 WeakPolarHBondContact O-CG 3.45Å; K299-L303 PolarHBondContact O-N 2.81Å; K299-H315 WeakPolarHBondContact CE-NE2 3.42Å; K299-H315 PolarHBondContact NZ-CE1 2.97Å; K299-H315 VanDerWaalsContact NZ-CE1 3.32Å; K299-H315 PolarHBondContact NZ-NE2 2.85Å
300	I	95.9	Very high	92.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-46.8	178.8	-67.8	164.9	0	0	0	110.5	T296 R297 K302 L303 I304 H315 F320 L548 I552	T296-I300 HydrophobicContact CG2-CD1 4.38Å; T296-I300 PolarHBondContact O-N 3.27Å; T296-I300 VanDerWaalsContact O-N 3.17Å; R297-I300 PolarHBondContact O-N 3.38Å; R297-I300 VanDerWaalsContact O-N 3.1Å; I300-K302 VanDerWaalsContact C-N 3.35Å; I300-K302 PolarHBondContact O-N 3.22Å; I300-L303 PolarHBondContact O-N 3.34Å; I300-I304 HydrophobicContact CG2-CD1 4.28Å; I300-I304 PolarHBondContact O-N 3.27Å; I300-H315 HydrophobicContact CG1-CB 3.97Å; I300-F320 HydrophobicContact CD1-CD2 4.19Å; I300-F320 HydrophobicContact CD1-CE2 3.77Å; I300-L548 HydrophobicContact CG2-CD2 3.67Å; I300-I552 HydrophobicContact CD1-CD1 4.12Å; I300-I552 HydrophobicContact CG2-CD1 4.5Å
301	I	94.9	Very high	92.6	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-55.3	-49.1	174.5	-70.1	163.2	0	0	0	110.4	A271 R297 L303 I304 L305 N549	A271-I301 HydrophobicContact CB-CD1 3.92Å; R297-I301 WeakPolarHBondContact O-CG1 3.42Å; R297-I301 PolarHBondContact O-N 2.89Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.09Å; I301-I304 PolarHBondContact O-N 3.33Å; I301-I304 VanDerWaalsContact O-N 3.15Å; I301-L305 HydrophobicContact CG2-CD1 3.77Å; I301-L305 HydrophobicContact CG2-CG 4.29Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.98Å; I301-N549 HydrophobicContact CD1-CB 4.22Å; I301-N549 HydrophobicContact CG1-CB 4.44Å
302	K	94.3	Very high	93.2	Very high	57 Å²	57	36.2 Å²	36.2	25%	0.248	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-35.8	179.1	-171.5	162.7	-171.5	163.9	0	112.9	Q298 K299 I300 T306 M435 D436 V437	Q298-K302 WeakPolarHBondContact O-CB 3.42Å; Q298-K302 PolarHBondContact O-N 3.37Å; K299-K302 PolarHBondContact O-N 2.84Å; I300-K302 VanDerWaalsContact C-N 3.35Å; I300-K302 PolarHBondContact O-N 3.22Å; K302-T306 WeakPolarHBondContact O-CB 3.22Å; K302-T306 WeakPolarHBondContact O-CG2 3.44Å; K302-T306 PolarHBondContact O-N 2.83Å; K302-T306 PolarHBondContact O-OG1 3.47Å; K302-M435 HydrophobicContact CD-SD 4.38Å; K302-M435 PolarHBondContact NZ-O 2.73Å; K302-D436 PolarHBondContact NZ-O 2.9Å; K302-V437 HydrophobicContact CD-CG2 4.49Å
303	L	95.6	Very high	93.6	Very high	19 Å²	19	34 Å²	34	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-40.8	174.2	-70.1	168.2	0	0	0	112	K299 I300 I301 T306 G307 K308 Q311 A312	K299-L303 HydrophobicContact CG-CD1 4.31Å; K299-L303 WeakPolarHBondContact O-CG 3.45Å; K299-L303 PolarHBondContact O-N 2.81Å; I300-L303 PolarHBondContact O-N 3.34Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.09Å; L303-T306 PolarHBondContact O-OG1 3.23Å; L303-G307 PolarHBondContact O-N 2.67Å; L303-K308 HydrophobicContact CD2-CB 4.05Å; L303-K308 PolarHBondContact O-N 2.92Å; L303-Q311 HydrophobicContact CD1-CB 4.05Å; L303-Q311 HydrophobicContact CD2-CB 4.04Å; L303-A312 HydrophobicContact CB-CB 3.85Å
304	I	94.8	Very high	93.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-50	176	-66.5	175.8	0	0	0	111	I300 I301 T306 G307 M309 A312 L334 R541 L548	I300-I304 HydrophobicContact CG2-CD1 4.28Å; I300-I304 PolarHBondContact O-N 3.27Å; I301-I304 PolarHBondContact O-N 3.33Å; I301-I304 VanDerWaalsContact O-N 3.15Å; I304-T306 VanDerWaalsContact C-N 3.27Å; I304-T306 PolarHBondContact O-N 3.48Å; I304-G307 WeakPolarHBondContact O-CA 3.45Å; I304-G307 PolarHBondContact O-N 2.86Å; I304-M309 HydrophobicContact CB-SD 4.19Å; I304-M309 HydrophobicContact CG1-CE 4.19Å; I304-M309 HydrophobicContact CG1-SD 4.04Å; I304-M309 HydrophobicContact CG2-CE 4.46Å; I304-M309 HydrophobicContact CG2-SD 3.88Å; I304-A312 HydrophobicContact CD1-CB 4.27Å; I304-A312 HydrophobicContact CG1-CB 3.53Å; I304-L334 HydrophobicContact CD1-CD2 4.25Å; I304-R541 HydrophobicContact CG2-CB 4.27Å; I304-R541 WeakPolarHBondContact O-CD 3.2Å; I304-L548 HydrophobicContact CD1-CB 4.46Å; I304-L548 HydrophobicContact CD1-CD2 3.67Å
305	L	92.3	Very high	94.1	Very high	54 Å²	54	40.7 Å²	40.7	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-64.7	-29.5	-178.5	-64.5	177.8	0	0	0	112.8	I301 G307 R541 E542	I301-L305 HydrophobicContact CG2-CD1 3.77Å; I301-L305 HydrophobicContact CG2-CG 4.29Å; I301-L305 WeakPolarHBondContact O-CG 3.34Å; I301-L305 PolarHBondContact O-N 2.98Å; L305-G307 VanDerWaalsContact C-N 3.31Å; L305-R541 HydrophobicContact CD2-CB 4.31Å; L305-R541 WeakPolarHBondContact O-CD 3.34Å; L305-R541 PolarHBondContact O-NH1 2.89Å; L305-E542 HydrophobicContact CD2-CG 4.05Å
306	T	92.6	Very high	94.4	Very high	70 Å²	70	35.3 Å²	35.3	43%	0.429	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.1	171.9	54.4	0	0	0	0	114.2	K302 L303 I304	K302-T306 WeakPolarHBondContact O-CB 3.22Å; K302-T306 WeakPolarHBondContact O-CG2 3.44Å; K302-T306 PolarHBondContact O-N 2.83Å; K302-T306 PolarHBondContact O-OG1 3.47Å; L303-T306 PolarHBondContact O-OG1 3.23Å; I304-T306 VanDerWaalsContact C-N 3.27Å; I304-T306 PolarHBondContact O-N 3.48Å
307	G	91.8	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	3.8	177.9	0	0	0	0	0	115.2	L303 I304 L305 M309	L303-G307 PolarHBondContact O-N 2.67Å; I304-G307 WeakPolarHBondContact O-CA 3.45Å; I304-G307 PolarHBondContact O-N 2.86Å; L305-G307 VanDerWaalsContact C-N 3.31Å; G307-M309 PolarHBondContact O-N 2.78Å
308	K	93.9	Very high	94.5	Very high	61 Å²	61	45.1 Å²	45.1	27%	0.265	21%	0.211	S	C	.	.			trans	-82.9	56.5	-178.6	-58.3	-157.3	178	-157.1	0	111.8	L303 S310 Q311 A312 D347 E349	L303-K308 HydrophobicContact CD2-CB 4.05Å; L303-K308 PolarHBondContact O-N 2.92Å; K308-S310 VanDerWaalsContact C-N 3.32Å; K308-S310 PolarHBondContact O-N 2.75Å; K308-Q311 HydrophobicContact CB-CB 4.39Å; K308-Q311 HydrophobicContact CB-CG 4.5Å; K308-Q311 PolarHBondContact O-N 3.08Å; K308-Q311 VanDerWaalsContact O-N 3.08Å; K308-A312 PolarHBondContact O-N 3.28Å; K308-D347 VanDerWaalsContact C-OD1 3.25Å; K308-D347 VanDerWaalsContact CA-OD1 3.29Å; K308-D347 WeakPolarHBondContact CA-OD1 3.46Å; K308-E349 IonicContact NZ-OE2 3.85Å; K308-E349 PolarHBondContact NZ-OE2 2.87Å
309	M	93.9	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-39.6	-171.9	-65.3	-57.5	-55.5	0	0	113	I304 G307 Q311 A312 I313 L334 R337 Q338 E341 D347 V544	I304-M309 HydrophobicContact CB-SD 4.19Å; I304-M309 HydrophobicContact CG1-CE 4.19Å; I304-M309 HydrophobicContact CG1-SD 4.04Å; I304-M309 HydrophobicContact CG2-CE 4.46Å; I304-M309 HydrophobicContact CG2-SD 3.88Å; G307-M309 PolarHBondContact O-N 2.78Å; M309-Q311 VanDerWaalsContact C-N 3.3Å; M309-Q311 PolarHBondContact O-N 3.4Å; M309-A312 PolarHBondContact O-N 3.35Å; M309-I313 WeakPolarHBondContact O-CG1 3.4Å; M309-I313 PolarHBondContact O-N 2.89Å; M309-L334 HydrophobicContact CE-CD2 3.66Å; M309-R337 HydrophobicContact CE-CB 4.01Å; M309-R337 HydrophobicContact CE-CG 4.01Å; M309-R337 HydrophobicContact CG-CG 4.21Å; M309-R337 HydrophobicContact SD-CG 3.91Å; M309-Q338 HydrophobicContact CB-CB 3.77Å; M309-Q338 HydrophobicContact CB-CG 3.95Å; M309-E341 HydrophobicContact CG-CB 4.24Å; M309-E341 HydrophobicContact CG-CG 3.77Å; M309-D347 PolarHBondContact N-OD1 3.06Å; M309-V544 HydrophobicContact CE-CG1 4.3Å
310	S	92.6	Very high	94.6	Very high	30 Å²	30	41.3 Å²	41.3	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-53.5	-48	174.3	-65.1	0	0	0	0	111.6	K308 E314 Q338 D347	K308-S310 VanDerWaalsContact C-N 3.32Å; K308-S310 PolarHBondContact O-N 2.75Å; S310-E314 PolarHBondContact O-N 2.99Å; S310-Q338 PolarHBondContact OG-NE2 3.37Å; S310-D347 WeakPolarHBondContact CB-OD1 3.45Å; S310-D347 VanDerWaalsContact CB-OD2 3.27Å; S310-D347 WeakPolarHBondContact CB-OD2 3.27Å; S310-D347 PolarHBondContact N-OD1 2.7Å; S310-D347 PolarHBondContact N-OD2 3.49Å; S310-D347 VanDerWaalsContact OG-CG 3.26Å; S310-D347 PolarHBondContact OG-OD1 3.05Å; S310-D347 PolarHBondContact OG-OD2 3.27Å
311	Q	94.2	Very high	94.5	Very high	46 Å²	46	46.1 Å²	46.1	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-73.1	-33.2	-178.5	-60.1	-176	5.3	0	0	111.8	L303 K308 M309 H315 N350	L303-Q311 HydrophobicContact CD1-CB 4.05Å; L303-Q311 HydrophobicContact CD2-CB 4.04Å; K308-Q311 HydrophobicContact CB-CB 4.39Å; K308-Q311 HydrophobicContact CB-CG 4.5Å; K308-Q311 PolarHBondContact O-N 3.08Å; K308-Q311 VanDerWaalsContact O-N 3.08Å; M309-Q311 VanDerWaalsContact C-N 3.3Å; M309-Q311 PolarHBondContact O-N 3.4Å; Q311-H315 WeakPolarHBondContact O-CB 3.4Å; Q311-H315 PolarHBondContact O-N 2.75Å; Q311-N350 PolarHBondContact NE2-ND2 3.22Å
312	A	96	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-44.1	174.5	0	0	0	0	0	112	L303 I304 K308 M309 H315 T316	L303-A312 HydrophobicContact CB-CB 3.85Å; I304-A312 HydrophobicContact CD1-CB 4.27Å; I304-A312 HydrophobicContact CG1-CB 3.53Å; K308-A312 PolarHBondContact O-N 3.28Å; M309-A312 PolarHBondContact O-N 3.35Å; A312-H315 PolarHBondContact O-N 3.38Å; A312-T316 WeakPolarHBondContact O-CB 3.24Å; A312-T316 PolarHBondContact O-N 3.03Å; A312-T316 PolarHBondContact O-OG1 3.38Å
313	I	95.3	Very high	94.3	Very high	11 Å²	11	44 Å²	44	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-45.5	177.7	-65.8	163.4	0	0	0	110.4	M309 H315 T316 L317 L324 L334 Q338	M309-I313 WeakPolarHBondContact O-CG1 3.4Å; M309-I313 PolarHBondContact O-N 2.89Å; I313-H315 PolarHBondContact O-N 3.08Å; I313-T316 WeakPolarHBondContact O-CB 3.42Å; I313-T316 PolarHBondContact O-N 3.48Å; I313-L317 HydrophobicContact CG2-CD1 4.11Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 3.31Å; I313-L324 HydrophobicContact CG2-CD1 4.12Å; I313-L334 HydrophobicContact CD1-CB 4.09Å; I313-L334 HydrophobicContact CG1-CB 4.19Å; I313-Q338 HydrophobicContact CD1-CB 4.33Å
314	E	95.3	Very high	94.3	Very high	113 Å²	113	43.1 Å²	43.1	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-58.6	-47.1	175.7	-170.1	-165.7	154.3	0	0	111.7	S310 T316 L317 R318	S310-E314 PolarHBondContact O-N 2.99Å; E314-T316 VanDerWaalsContact C-N 3.31Å; E314-T316 PolarHBondContact O-N 3.03Å; E314-L317 PolarHBondContact O-N 3.09Å; E314-R318 WeakPolarHBondContact O-CB 3.25Å; E314-R318 PolarHBondContact O-N 3.12Å; E314-R318 VanDerWaalsContact O-N 3.09Å
315	H	95.6	Very high	94.1	Very high	54 Å²	54	46.7 Å²	46.7	25%	0.25	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-36.8	176.3	-96.1	-63.7	0	0	0	112.7	K299 I300 Q311 A312 I313 R318 S319	K299-H315 WeakPolarHBondContact CE-NE2 3.42Å; K299-H315 PolarHBondContact NZ-CE1 2.97Å; K299-H315 VanDerWaalsContact NZ-CE1 3.32Å; K299-H315 PolarHBondContact NZ-NE2 2.85Å; I300-H315 HydrophobicContact CG1-CB 3.97Å; Q311-H315 WeakPolarHBondContact O-CB 3.4Å; Q311-H315 PolarHBondContact O-N 2.75Å; A312-H315 PolarHBondContact O-N 3.38Å; I313-H315 PolarHBondContact O-N 3.08Å; H315-R318 PolarHBondContact O-N 3.29Å; H315-S319 VanDerWaalsContact O-CB 3.27Å; H315-S319 WeakPolarHBondContact O-CB 3.41Å; H315-S319 PolarHBondContact O-N 3.46Å; H315-S319 PolarHBondContact O-OG 2.94Å
316	T	96.4	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-52.1	177.3	-58	0	0	0	0	111.2	A312 I313 E314 R318 S319 F320 L323 L324 L548	A312-T316 WeakPolarHBondContact O-CB 3.24Å; A312-T316 PolarHBondContact O-N 3.03Å; A312-T316 PolarHBondContact O-OG1 3.38Å; I313-T316 WeakPolarHBondContact O-CB 3.42Å; I313-T316 PolarHBondContact O-N 3.48Å; E314-T316 VanDerWaalsContact C-N 3.31Å; E314-T316 PolarHBondContact O-N 3.03Å; T316-R318 PolarHBondContact O-N 3.3Å; T316-S319 PolarHBondContact O-N 3.38Å; T316-F320 WeakPolarHBondContact O-CA 3.44Å; T316-F320 PolarHBondContact O-N 2.89Å; T316-L323 HydrophobicContact CG2-CD2 4.38Å; T316-L324 HydrophobicContact CG2-CD1 3.99Å; T316-L324 HydrophobicContact CG2-CD2 4.44Å; T316-L324 HydrophobicContact CG2-CG 4.05Å; T316-L548 HydrophobicContact CG2-CD1 3.9Å; T316-L548 HydrophobicContact CG2-CD2 4.38Å
317	L	95.4	Very high	94.1	Very high	55 Å²	55	50 Å²	50	29%	0.288	26%	0.255	S	S	.	.	H	α-helix	trans	-58.6	-36.5	178.3	-69.5	169.6	0	0	0	112.3	I313 E314 L324	I313-L317 HydrophobicContact CG2-CD1 4.11Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 3.31Å; E314-L317 PolarHBondContact O-N 3.09Å; L317-L324 HydrophobicContact CD2-CB 4.02Å; L317-L324 HydrophobicContact CD2-CD1 3.95Å; L317-L324 HydrophobicContact CD2-CG 4.36Å; L317-L324 HydrophobicContact CG-CD1 4.08Å
318	R	95.4	Very high	94	Very high	197 Å²	197	52.4 Å²	52.4	74%	0.743	27%	0.265	S	S	*	.	H	α-helix	trans	-78.2	-33.5	-179.1	-174.2	172.6	178.8	168	0.9	113.8	E314 H315 T316	E314-R318 WeakPolarHBondContact O-CB 3.25Å; E314-R318 PolarHBondContact O-N 3.12Å; E314-R318 VanDerWaalsContact O-N 3.09Å; H315-R318 PolarHBondContact O-N 3.29Å; T316-R318 PolarHBondContact O-N 3.3Å
319	S	95.1	Very high	93.8	Very high	49 Å²	49	51.4 Å²	51.4	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-92.9	-27	-178.2	-73.5	0	0	0	0	113.6	T296 H315 T316	T296-S319 WeakPolarHBondContact CG2-OG 3.38Å; H315-S319 VanDerWaalsContact O-CB 3.27Å; H315-S319 WeakPolarHBondContact O-CB 3.41Å; H315-S319 PolarHBondContact O-N 3.46Å; H315-S319 PolarHBondContact O-OG 2.94Å; T316-S319 PolarHBondContact O-N 3.38Å
320	F	94.6	Very high	93.8	Very high	23 Å²	23	51.9 Å²	51.9	10%	0.101	27%	0.266	C	S	.	.	S	Bend	trans	-133.8	69.2	-178.5	-53	-73.5	0	0	0	110.6	T296 R297 I300 T316 G322 L323 I552 L556	T296-F320 HydrophobicContact CG2-CE2 3.97Å; T296-F320 HydrophobicContact CG2-CZ 4.02Å; R297-F320 HydrophobicContact CG-CZ 4.32Å; I300-F320 HydrophobicContact CD1-CD2 4.19Å; I300-F320 HydrophobicContact CD1-CE2 3.77Å; T316-F320 WeakPolarHBondContact O-CA 3.44Å; T316-F320 PolarHBondContact O-N 2.89Å; F320-G322 PolarHBondContact O-N 3.47Å; F320-L323 HydrophobicContact CB-CB 4.08Å; F320-L323 HydrophobicContact CB-CD1 3.77Å; F320-L323 HydrophobicContact CG-CD1 4.32Å; F320-L323 WeakPolarHBondContact O-CB 3.49Å; F320-L323 PolarHBondContact O-N 2.79Å; F320-I552 HydrophobicContact CD1-CG2 3.94Å; F320-I552 HydrophobicContact CD2-CD1 4.06Å; F320-I552 HydrophobicContact CD2-CG1 3.99Å; F320-I552 HydrophobicContact CD2-CG2 3.94Å; F320-I552 HydrophobicContact CE1-CG2 3.61Å; F320-I552 HydrophobicContact CE2-CD1 3.98Å; F320-I552 HydrophobicContact CE2-CG1 4.2Å; F320-I552 HydrophobicContact CE2-CG2 3.6Å; F320-I552 HydrophobicContact CG-CG1 4.45Å; F320-I552 HydrophobicContact CG-CG2 4.11Å; F320-I552 HydrophobicContact CZ-CG2 3.43Å; F320-I552 VanDerWaalsContact CZ-CG2 3.43Å; F320-L556 HydrophobicContact CE1-CD1 4.1Å; F320-L556 HydrophobicContact CE1-CD2 4.29Å; F320-L556 HydrophobicContact CE1-CG 4.44Å
321	P	94.3	Very high	93.8	Very high	104 Å²	104	53.2 Å²	53.2	68%	0.675	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	137.1	-174	-21.9	34.3	0	0	0	112.4	L323	P321-L323 VanDerWaalsContact C-N 3.3Å; P321-L323 PolarHBondContact O-N 2.67Å
322	G	91.8	Very high	93.8	Very high	19 Å²	19	51.1 Å²	51.1	20%	0.196	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9.5	-177.2	0	0	0	0	0	115	F320 E325 N326	F320-G322 PolarHBondContact O-N 3.47Å; G322-E325 VanDerWaalsContact CA-CD 3.44Å; G322-E325 WeakPolarHBondContact CA-OE2 3.38Å; G322-E325 PolarHBondContact N-OE1 3.02Å; G322-E325 PolarHBondContact N-OE2 3.48Å; G322-E325 VanDerWaalsContact N-OE2 3.1Å; G322-N326 VanDerWaalsContact O-CB 3.26Å; G322-N326 WeakPolarHBondContact O-CB 3.45Å; G322-N326 VanDerWaalsContact O-CG 3.23Å; G322-N326 PolarHBondContact O-N 3.18Å; G322-N326 PolarHBondContact O-ND2 3.16Å
323	L	94.6	Very high	93.6	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-47.5	-177.9	-176.6	160.1	0	0	0	112	T316 F320 P321 E325 N327 L330 L548 A551 I552	T316-L323 HydrophobicContact CG2-CD2 4.38Å; F320-L323 HydrophobicContact CB-CB 4.08Å; F320-L323 HydrophobicContact CB-CD1 3.77Å; F320-L323 HydrophobicContact CG-CD1 4.32Å; F320-L323 WeakPolarHBondContact O-CB 3.49Å; F320-L323 PolarHBondContact O-N 2.79Å; P321-L323 VanDerWaalsContact C-N 3.3Å; P321-L323 PolarHBondContact O-N 2.67Å; L323-E325 PolarHBondContact N-OE2 3.39Å; L323-N327 WeakPolarHBondContact O-CB 3.37Å; L323-N327 PolarHBondContact O-N 3.05Å; L323-L330 HydrophobicContact CD2-CD2 4.03Å; L323-L548 HydrophobicContact CD2-CD1 3.99Å; L323-A551 HydrophobicContact CD2-CB 4.4Å; L323-I552 HydrophobicContact CD1-CB 4.18Å; L323-I552 HydrophobicContact CD1-CG1 3.59Å
324	L	94.4	Very high	93.5	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-81.7	-32.4	-178	-65.8	-178.5	0	0	0	111.4	I313 T316 L317 N326 N327 L330 W331 L334 L548	I313-L324 HydrophobicContact CG2-CD1 4.12Å; T316-L324 HydrophobicContact CG2-CD1 3.99Å; T316-L324 HydrophobicContact CG2-CD2 4.44Å; T316-L324 HydrophobicContact CG2-CG 4.05Å; L317-L324 HydrophobicContact CD2-CB 4.02Å; L317-L324 HydrophobicContact CD2-CD1 3.95Å; L317-L324 HydrophobicContact CD2-CG 4.36Å; L317-L324 HydrophobicContact CG-CD1 4.08Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.26Å; L324-N327 CarbonylContact O-C 3.53Å; L324-N327 PolarHBondContact O-N 2.88Å; L324-L330 HydrophobicContact CD2-CD2 4.15Å; L324-L330 HydrophobicContact CD2-CG 4.03Å; L324-W331 HydrophobicContact CB-CB 4.04Å; L324-W331 HydrophobicContact CB-CD2 3.89Å; L324-W331 HydrophobicContact CB-CE3 4.14Å; L324-W331 HydrophobicContact CB-CG 3.86Å; L324-W331 HydrophobicContact CD1-CG 4.42Å; L324-W331 HydrophobicContact CD2-CB 4.35Å; L324-L334 HydrophobicContact CD1-CD1 4.28Å; L324-L334 HydrophobicContact CD2-CD1 3.54Å; L324-L548 HydrophobicContact CD2-CD1 4.36Å
325	E	91.7	Very high	93.5	Very high	75 Å²	75	47.5 Å²	47.5	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-64.9	-36.5	177.6	-56	93.7	130.1	0	0	111.7	G322 L323 W331	G322-E325 VanDerWaalsContact CA-CD 3.44Å; G322-E325 WeakPolarHBondContact CA-OE2 3.38Å; G322-E325 PolarHBondContact N-OE1 3.02Å; G322-E325 PolarHBondContact N-OE2 3.48Å; G322-E325 VanDerWaalsContact N-OE2 3.1Å; L323-E325 PolarHBondContact N-OE2 3.39Å; E325-W331 HydrophobicContact CB-CZ3 4.4Å; E325-W331 HydrophobicContact CG-CH2 4.33Å; E325-W331 HydrophobicContact CG-CZ3 3.98Å
326	N	91.6	Very high	93.3	Very high	146 Å²	146	44.9 Å²	44.9	78%	0.781	23%	0.23	S	C	*	.	H	α-helix	trans	-82.7	-23.4	172.9	-68.4	-43.5	0	0	0	113.2	G322 L324	G322-N326 VanDerWaalsContact O-CB 3.26Å; G322-N326 WeakPolarHBondContact O-CB 3.45Å; G322-N326 VanDerWaalsContact O-CG 3.23Å; G322-N326 PolarHBondContact O-N 3.18Å; G322-N326 PolarHBondContact O-ND2 3.16Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.26Å
327	N	92.1	Very high	93.2	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	23%	0.232	S	C	.	.			trans	-115.8	73	-179.6	-168.6	-15.2	0	0	0	111.6	L323 L324 N329 L330 W331	L323-N327 WeakPolarHBondContact O-CB 3.37Å; L323-N327 PolarHBondContact O-N 3.05Å; L324-N327 CarbonylContact O-C 3.53Å; L324-N327 PolarHBondContact O-N 2.88Å; N327-N329 VanDerWaalsContact C-N 3.3Å; N327-N329 PolarHBondContact O-N 3.34Å; N327-L330 HydrophobicContact CB-CB 4.21Å; N327-L330 VanDerWaalsContact CG-CB 3.44Å; N327-L330 PolarHBondContact O-N 3.3Å; N327-L330 WeakPolarHBondContact OD1-CB 3.45Å; N327-L330 PolarHBondContact OD1-N 3.1Å; N327-W331 PolarHBondContact O-N 2.72Å
328	K	90.9	Very high	93.1	Very high	50 Å²	50	43.6 Å²	43.6	22%	0.217	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-37.1	-174.9	-57	-176.2	-179.4	179.3	0	113.5	W331 F332 L501 E504 L506	K328-W331 PolarHBondContact O-N 2.9Å; K328-F332 WeakPolarHBondContact O-CB 3.15Å; K328-F332 PolarHBondContact O-N 3.46Å; K328-L501 HydrophobicContact CB-CD2 3.8Å; K328-L501 HydrophobicContact CD-CD2 4.32Å; K328-E504 IonicContact NZ-OE1 3.36Å; K328-E504 PolarHBondContact NZ-OE1 2.9Å; K328-E504 IonicContact NZ-OE2 3.74Å; K328-E504 PolarHBondContact NZ-OE2 2.95Å; K328-L506 HydrophobicContact CD-CD1 4.21Å
329	N	89.8	Confident	93	Very high	41 Å²	41	34.2 Å²	34.2	22%	0.219	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-46.6	178.2	-71	69.5	0	0	0	111.7	N327 W331 F332 A333 L506 E511	N327-N329 VanDerWaalsContact C-N 3.3Å; N327-N329 PolarHBondContact O-N 3.34Å; N329-W331 VanDerWaalsContact C-N 3.33Å; N329-W331 PolarHBondContact O-N 3.24Å; N329-F332 PolarHBondContact O-N 3.49Å; N329-A333 WeakPolarHBondContact O-CB 3.32Å; N329-A333 PolarHBondContact O-N 2.98Å; N329-L506 PolarHBondContact ND2-O 2.76Å; N329-E511 VanDerWaalsContact CB-OE1 3.23Å; N329-E511 WeakPolarHBondContact CB-OE1 3.29Å; N329-E511 VanDerWaalsContact ND2-CD 3.32Å; N329-E511 PolarHBondContact ND2-OE1 2.96Å; N329-E511 PolarHBondContact ND2-OE2 2.83Å
330	L	92.3	Very high	92.9	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-41.7	172.6	174.9	58.6	0	0	0	111.8	L323 L324 N327 F332 A333 L334 T547 L548 A551	L323-L330 HydrophobicContact CD2-CD2 4.03Å; L324-L330 HydrophobicContact CD2-CD2 4.15Å; L324-L330 HydrophobicContact CD2-CG 4.03Å; N327-L330 HydrophobicContact CB-CB 4.21Å; N327-L330 VanDerWaalsContact CG-CB 3.44Å; N327-L330 PolarHBondContact O-N 3.3Å; N327-L330 WeakPolarHBondContact OD1-CB 3.45Å; N327-L330 PolarHBondContact OD1-N 3.1Å; L330-F332 VanDerWaalsContact C-N 3.33Å; L330-F332 PolarHBondContact O-N 3.44Å; L330-A333 PolarHBondContact O-N 3.22Å; L330-L334 HydrophobicContact CD1-CD1 4.05Å; L330-L334 HydrophobicContact CD1-CG 4.2Å; L330-L334 HydrophobicContact CG-CD1 4.01Å; L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 WeakPolarHBondContact O-CD1 3.4Å; L330-L334 VanDerWaalsContact O-CG 3.31Å; L330-L334 WeakPolarHBondContact O-CG 3.5Å; L330-L334 PolarHBondContact O-N 2.9Å; L330-T547 HydrophobicContact CD1-CG2 4.05Å; L330-L548 HydrophobicContact CD1-CB 4.34Å; L330-L548 HydrophobicContact CD2-CD1 3.89Å; L330-A551 HydrophobicContact CD2-CB 3.39Å
331	W	93.9	Very high	92.7	Very high	58 Å²	58	31 Å²	31	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.7	-163.8	1.3	0	0	0	111.6	L324 E325 N327 K328 N329 L334 K335 M497	L324-W331 HydrophobicContact CB-CB 4.04Å; L324-W331 HydrophobicContact CB-CD2 3.89Å; L324-W331 HydrophobicContact CB-CE3 4.14Å; L324-W331 HydrophobicContact CB-CG 3.86Å; L324-W331 HydrophobicContact CD1-CG 4.42Å; L324-W331 HydrophobicContact CD2-CB 4.35Å; E325-W331 HydrophobicContact CB-CZ3 4.4Å; E325-W331 HydrophobicContact CG-CH2 4.33Å; E325-W331 HydrophobicContact CG-CZ3 3.98Å; N327-W331 PolarHBondContact O-N 2.72Å; K328-W331 PolarHBondContact O-N 2.9Å; N329-W331 VanDerWaalsContact C-N 3.33Å; N329-W331 PolarHBondContact O-N 3.24Å; W331-L334 PolarHBondContact O-N 2.91Å; W331-K335 WeakPolarHBondContact O-CB 2.96Å; W331-K335 VanDerWaalsContact O-CG 3.25Å; W331-K335 WeakPolarHBondContact O-CG 3.38Å; W331-K335 PolarHBondContact O-N 3.09Å; W331-M497 HydrophobicContact CB-CE 3.91Å; W331-M497 HydrophobicContact CD2-CE 4.16Å; W331-M497 HydrophobicContact CG-CE 3.89Å
332	F	92.8	Very high	92.6	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-45.9	175.1	-179.9	-104.1	0	0	0	112.3	K328 N329 L330 L334 K335 C336 L494 M497 L501 M507 E511 L515	K328-F332 WeakPolarHBondContact O-CB 3.15Å; K328-F332 PolarHBondContact O-N 3.46Å; N329-F332 PolarHBondContact O-N 3.49Å; L330-F332 VanDerWaalsContact C-N 3.33Å; L330-F332 PolarHBondContact O-N 3.44Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3.17Å; F332-K335 CarbonylContact O-C 3.56Å; F332-K335 WeakPolarHBondContact O-CA 3.34Å; F332-K335 WeakPolarHBondContact O-CB 3.31Å; F332-K335 PolarHBondContact O-N 3.38Å; F332-K335 VanDerWaalsContact O-N 3.07Å; F332-C336 VanDerWaalsContact CE1-SG 3.55Å; F332-C336 WeakPolarHBondContact CZ-SG 3.29Å; F332-C336 PolarHBondContact O-N 3.37Å; F332-L494 HydrophobicContact CD2-CD1 3.93Å; F332-L494 HydrophobicContact CE2-CD1 3.62Å; F332-L494 HydrophobicContact CE2-CG 4.18Å; F332-L494 HydrophobicContact CZ-CD1 4.39Å; F332-M497 HydrophobicContact CB-CE 3.99Å; F332-M497 HydrophobicContact CB-SD 4.26Å; F332-M497 HydrophobicContact CD2-CB 4.16Å; F332-M497 HydrophobicContact CD2-CG 3.89Å; F332-M497 HydrophobicContact CD2-SD 3.97Å; F332-M497 HydrophobicContact CE2-CB 4.5Å; F332-L501 HydrophobicContact CB-CD1 3.6Å; F332-L501 HydrophobicContact CD1-CD1 4.04Å; F332-L501 HydrophobicContact CD2-CD1 4.01Å; F332-L501 HydrophobicContact CG-CD1 3.6Å; F332-M507 HydrophobicContact CD1-SD 4.35Å; F332-M507 HydrophobicContact CE1-CE 3.6Å; F332-M507 HydrophobicContact CE1-SD 3.97Å; F332-M507 HydrophobicContact CZ-CE 3.64Å; F332-M507 HydrophobicContact CZ-SD 4.33Å; F332-E511 HydrophobicContact CD1-CB 4.27Å; F332-E511 HydrophobicContact CD1-CG 4.38Å; F332-E511 HydrophobicContact CE1-CB 4.03Å; F332-L515 HydrophobicContact CE2-CD1 4.44Å; F332-L515 HydrophobicContact CZ-CB 4.17Å; F332-L515 HydrophobicContact CZ-CD1 4Å; F332-L515 HydrophobicContact CZ-CD2 4.1Å; F332-L515 HydrophobicContact CZ-CG 4.31Å
333	A	92.1	Very high	92.5	Very high	21 Å²	21	27.1 Å²	27.1	17%	0.174	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-40.2	175.8	0	0	0	0	0	112.5	N329 L330 C336 R337	N329-A333 WeakPolarHBondContact O-CB 3.32Å; N329-A333 PolarHBondContact O-N 2.98Å; L330-A333 PolarHBondContact O-N 3.22Å; A333-C336 PolarHBondContact O-N 3.26Å; A333-R337 PolarHBondContact O-N 2.77Å
334	L	93.9	Very high	92.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-40.7	172.4	-75.5	163.8	0	0	0	111.9	I304 M309 I313 L324 L330 W331 F332 R337 Q338 V544 L548	I304-L334 HydrophobicContact CD1-CD2 4.25Å; M309-L334 HydrophobicContact CE-CD2 3.66Å; I313-L334 HydrophobicContact CD1-CB 4.09Å; I313-L334 HydrophobicContact CG1-CB 4.19Å; L324-L334 HydrophobicContact CD1-CD1 4.28Å; L324-L334 HydrophobicContact CD2-CD1 3.54Å; L330-L334 HydrophobicContact CD1-CD1 4.05Å; L330-L334 HydrophobicContact CD1-CG 4.2Å; L330-L334 HydrophobicContact CG-CD1 4.01Å; L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 WeakPolarHBondContact O-CD1 3.4Å; L330-L334 VanDerWaalsContact O-CG 3.31Å; L330-L334 WeakPolarHBondContact O-CG 3.5Å; L330-L334 PolarHBondContact O-N 2.9Å; W331-L334 PolarHBondContact O-N 2.91Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3.17Å; L334-R337 PolarHBondContact O-N 3.49Å; L334-Q338 WeakPolarHBondContact O-CB 3.24Å; L334-Q338 PolarHBondContact O-N 3.26Å; L334-V544 HydrophobicContact CD2-CG1 3.53Å; L334-V544 HydrophobicContact CG-CG1 4.24Å; L334-L548 HydrophobicContact CD1-CD1 4.27Å; L334-L548 HydrophobicContact CD1-CD2 4.27Å; L334-L548 HydrophobicContact CD2-CD2 4.2Å
335	K	94	Very high	91.6	Very high	27 Å²	27	30.2 Å²	30.2	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-39.6	176.1	-76.5	-80.5	-173	164.8	0	112.5	W331 F332 Q338 F339 F490 E493 L494 M497	W331-K335 WeakPolarHBondContact O-CB 2.96Å; W331-K335 VanDerWaalsContact O-CG 3.25Å; W331-K335 WeakPolarHBondContact O-CG 3.38Å; W331-K335 PolarHBondContact O-N 3.09Å; F332-K335 CarbonylContact O-C 3.56Å; F332-K335 WeakPolarHBondContact O-CA 3.34Å; F332-K335 WeakPolarHBondContact O-CB 3.31Å; F332-K335 PolarHBondContact O-N 3.38Å; F332-K335 VanDerWaalsContact O-N 3.07Å; K335-Q338 WeakPolarHBondContact O-CB 3.31Å; K335-Q338 PolarHBondContact O-N 3.38Å; K335-F339 PolarHBondContact O-N 2.8Å; K335-F490 HydrophobicContact CB-CZ 4.47Å; K335-F490 HydrophobicContact CD-CE1 4.36Å; K335-F490 HydrophobicContact CD-CE2 4.13Å; K335-F490 HydrophobicContact CD-CZ 3.53Å; K335-F490 WeakPolarHBondContact O-CE1 3.31Å; K335-E493 IonicContact NZ-OE1 3.3Å; K335-E493 PolarHBondContact NZ-OE1 3.07Å; K335-L494 HydrophobicContact CB-CD1 3.68Å; K335-M497 HydrophobicContact CB-SD 4.48Å; K335-M497 HydrophobicContact CG-SD 4.19Å
336	C	93	Very high	90.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-44.5	169.9	-75.8	0	0	0	0	111.5	F332 A333 F339 I340 M514	F332-C336 VanDerWaalsContact CE1-SG 3.55Å; F332-C336 WeakPolarHBondContact CZ-SG 3.29Å; F332-C336 PolarHBondContact O-N 3.37Å; A333-C336 PolarHBondContact O-N 3.26Å; C336-F339 PolarHBondContact O-N 2.9Å; C336-I340 WeakPolarHBondContact O-CG1 3.32Å; C336-I340 PolarHBondContact O-N 3.34Å; C336-I340 VanDerWaalsContact O-N 3.14Å; C336-M514 HydrophobicContact CB-CG 4.4Å; C336-M514 HydrophobicContact CB-SD 3.89Å
337	R	93.4	Very high	90	Very high	11 Å²	11	21.6 Å²	21.6	4%	0.042	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-39.8	175.9	-171.1	70.7	-157	171.4	-0.1	112.3	M309 A333 L334 F339 I340 E341 L535 C537 R540 V544	M309-R337 HydrophobicContact CE-CB 4.01Å; M309-R337 HydrophobicContact CE-CG 4.01Å; M309-R337 HydrophobicContact CG-CG 4.21Å; M309-R337 HydrophobicContact SD-CG 3.91Å; A333-R337 PolarHBondContact O-N 2.77Å; L334-R337 PolarHBondContact O-N 3.49Å; R337-F339 VanDerWaalsContact C-N 3.31Å; R337-F339 PolarHBondContact O-N 3.5Å; R337-I340 PolarHBondContact O-N 3.05Å; R337-E341 HydrophobicContact CG-CG 4.46Å; R337-E341 IonicContact CZ-OE1 3.48Å; R337-E341 IonicContact NE-OE1 3.37Å; R337-E341 PolarHBondContact NE-OE1 3.44Å; R337-E341 IonicContact NH2-OE1 3.23Å; R337-E341 PolarHBondContact NH2-OE1 2.89Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 3.37Å; R337-L535 PolarHBondContact NH1-O 3.13Å; R337-L535 PolarHBondContact NH2-O 2.66Å; R337-C537 PolarHBondContact NH2-O 2.86Å; R337-R540 VanDerWaalsContact NH1-CB 3.33Å; R337-V544 HydrophobicContact CB-CG1 4.44Å; R337-V544 HydrophobicContact CB-CG2 4.27Å; R337-V544 HydrophobicContact CG-CG2 4.33Å
338	Q	93.9	Very high	88.9	Confident	16 Å²	16	22.1 Å²	22.1	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-54.8	-47.5	174.3	-173.5	179	7.6	0	0	111.1	M309 S310 I313 L334 K335 I340 E341 M342 D347 F490	M309-Q338 HydrophobicContact CB-CB 3.77Å; M309-Q338 HydrophobicContact CB-CG 3.95Å; S310-Q338 PolarHBondContact OG-NE2 3.37Å; I313-Q338 HydrophobicContact CD1-CB 4.33Å; L334-Q338 WeakPolarHBondContact O-CB 3.24Å; L334-Q338 PolarHBondContact O-N 3.26Å; K335-Q338 WeakPolarHBondContact O-CB 3.31Å; K335-Q338 PolarHBondContact O-N 3.38Å; Q338-I340 PolarHBondContact O-N 3.2Å; Q338-E341 PolarHBondContact O-N 3.09Å; Q338-M342 HydrophobicContact CG-SD 4.32Å; Q338-M342 VanDerWaalsContact O-CG 3.31Å; Q338-M342 WeakPolarHBondContact O-CG 3.34Å; Q338-M342 PolarHBondContact O-N 3.1Å; Q338-D347 WeakPolarHBondContact CG-OD2 3.32Å; Q338-F490 HydrophobicContact CB-CZ 3.93Å; Q338-F490 VanDerWaalsContact CD-CZ 3.49Å; Q338-F490 HydrophobicContact CG-CE2 4Å; Q338-F490 HydrophobicContact CG-CZ 3.8Å; Q338-F490 VanDerWaalsContact OE1-CZ 3.25Å
339	F	93.3	Very high	87.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-43	176.1	-179.1	-107.1	0	0	0	113.4	K335 C336 R337 E341 M342 I343 I487 F490 L494 A518 F519 I522	K335-F339 PolarHBondContact O-N 2.8Å; C336-F339 PolarHBondContact O-N 2.9Å; R337-F339 VanDerWaalsContact C-N 3.31Å; R337-F339 PolarHBondContact O-N 3.5Å; F339-E341 PolarHBondContact O-N 3.38Å; F339-M342 PolarHBondContact O-N 3.11Å; F339-I343 HydrophobicContact CD1-CD1 3.86Å; F339-I343 HydrophobicContact CE1-CD1 3.49Å; F339-I343 VanDerWaalsContact CE1-CD1 3.49Å; F339-I343 HydrophobicContact CE2-CD1 4.36Å; F339-I343 HydrophobicContact CG-CD1 4.45Å; F339-I343 HydrophobicContact CZ-CD1 3.79Å; F339-I343 WeakPolarHBondContact O-CG1 3.39Å; F339-I343 PolarHBondContact O-N 3.01Å; F339-I487 HydrophobicContact CD2-CG2 4.4Å; F339-I487 HydrophobicContact CE2-CG2 3.83Å; F339-I487 WeakPolarHBondContact CE2-O 3.39Å; F339-I487 HydrophobicContact CZ-CG2 4.47Å; F339-F490 HydrophobicContact CB-CD1 3.96Å; F339-F490 HydrophobicContact CB-CE1 3.77Å; F339-F490 AromaticContact CD2-CD1 3.79Å; F339-F490 HydrophobicContact CD2-CD1 3.79Å; F339-F490 HydrophobicContact CD2-CE1 4.46Å; F339-F490 HydrophobicContact CG-CD1 4.32Å; F339-L494 HydrophobicContact CB-CD2 4Å; F339-L494 HydrophobicContact CD1-CD2 4.24Å; F339-L494 HydrophobicContact CG-CD2 4.09Å; F339-A518 HydrophobicContact CD1-CB 4.07Å; F339-A518 HydrophobicContact CE1-CB 4.3Å; F339-F519 HydrophobicContact CD1-CD1 4.44Å; F339-F519 AromaticContact CE1-CD1 3.49Å; F339-F519 HydrophobicContact CE1-CD1 3.49Å; F339-F519 VanDerWaalsContact CE1-CD1 3.49Å; F339-F519 AromaticContact CE1-CE1 3.9Å; F339-F519 HydrophobicContact CE1-CE1 3.9Å; F339-F519 HydrophobicContact CE2-CD1 4.5Å; F339-F519 HydrophobicContact CE2-CE1 4.36Å; F339-F519 AromaticContact CZ-CD1 3.5Å; F339-F519 HydrophobicContact CZ-CD1 3.5Å; F339-F519 VanDerWaalsContact CZ-CD1 3.5Å; F339-F519 AromaticContact CZ-CE1 3.75Å; F339-F519 HydrophobicContact CZ-CE1 3.75Å; F339-I522 HydrophobicContact CE1-CD1 4.41Å; F339-I522 HydrophobicContact CE2-CD1 3.99Å; F339-I522 HydrophobicContact CZ-CD1 3.46Å; F339-I522 VanDerWaalsContact CZ-CD1 3.46Å; F339-I522 HydrophobicContact CZ-CG1 4.21Å
340	I	92.3	Very high	85.4	Confident	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-41.9	175.3	-65.2	166.9	0	0	0	111	C336 R337 Q338 I343 N344 A518 L521 L536	C336-I340 WeakPolarHBondContact O-CG1 3.32Å; C336-I340 PolarHBondContact O-N 3.34Å; C336-I340 VanDerWaalsContact O-N 3.14Å; R337-I340 PolarHBondContact O-N 3.05Å; Q338-I340 PolarHBondContact O-N 3.2Å; I340-I343 PolarHBondContact O-N 2.89Å; I340-N344 WeakPolarHBondContact O-CB 3.47Å; I340-N344 PolarHBondContact O-N 3.2Å; I340-A518 HydrophobicContact CD1-CB 4.07Å; I340-A518 HydrophobicContact CG1-CB 3.89Å; I340-L521 HydrophobicContact CG1-CD1 4.37Å; I340-L521 HydrophobicContact CG2-CD1 4.42Å; I340-L536 HydrophobicContact CG2-CD2 4.02Å
341	E	91.8	Very high	83.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.6	-27.2	177.4	-61.4	-61.8	172.8	0	0	113.4	M309 R337 Q338 F339 N344 G345 A346 D347 R541	M309-E341 HydrophobicContact CG-CB 4.24Å; M309-E341 HydrophobicContact CG-CG 3.77Å; R337-E341 HydrophobicContact CG-CG 4.46Å; R337-E341 IonicContact CZ-OE1 3.48Å; R337-E341 IonicContact NE-OE1 3.37Å; R337-E341 PolarHBondContact NE-OE1 3.44Å; R337-E341 IonicContact NH2-OE1 3.23Å; R337-E341 PolarHBondContact NH2-OE1 2.89Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 3.37Å; Q338-E341 PolarHBondContact O-N 3.09Å; F339-E341 PolarHBondContact O-N 3.38Å; E341-N344 PolarHBondContact O-N 3.18Å; E341-N344 PolarHBondContact OE2-ND2 3.49Å; E341-G345 PolarHBondContact O-N 3.35Å; E341-G345 VanDerWaalsContact O-N 3.1Å; E341-A346 HydrophobicContact CB-CB 4.38Å; E341-A346 PolarHBondContact O-N 2.87Å; E341-D347 HydrophobicContact CB-CB 4.15Å; E341-D347 PolarHBondContact O-N 2.79Å; E341-R541 WeakPolarHBondContact OE1-CG 3.48Å; E341-R541 IonicContact OE1-CZ 2.68Å; E341-R541 IonicContact OE1-NE 2.76Å; E341-R541 PolarHBondContact OE1-NE 3.05Å; E341-R541 IonicContact OE1-NH2 3.59Å; E341-R541 PolarHBondContact OE1-NH2 3.18Å; E341-R541 IonicContact OE2-CZ 2.65Å; E341-R541 IonicContact OE2-NE 3.55Å; E341-R541 IonicContact OE2-NH2 2.9Å; E341-R541 PolarHBondContact OE2-NH2 3.31Å
342	M	90.4	Very high	80.6	Confident	17 Å²	17	34.2 Å²	34.2	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-41.8	168.9	-70.5	171.6	66.2	0	0	111.4	Q338 F339 N344 G345 D347 I487 F490	Q338-M342 HydrophobicContact CG-SD 4.32Å; Q338-M342 VanDerWaalsContact O-CG 3.31Å; Q338-M342 WeakPolarHBondContact O-CG 3.34Å; Q338-M342 PolarHBondContact O-N 3.1Å; F339-M342 PolarHBondContact O-N 3.11Å; M342-N344 VanDerWaalsContact C-N 3.34Å; M342-G345 PolarHBondContact O-N 3Å; M342-D347 HydrophobicContact CG-CB 4.27Å; M342-I487 HydrophobicContact CB-CG1 4.2Å; M342-I487 HydrophobicContact CE-CG1 4.17Å; M342-F490 HydrophobicContact CE-CB 3.93Å; M342-F490 HydrophobicContact CE-CD2 4.26Å; M342-F490 HydrophobicContact CE-CG 4.18Å; M342-F490 HydrophobicContact SD-CB 4.28Å; M342-F490 HydrophobicContact SD-CD1 4.34Å; M342-F490 HydrophobicContact SD-CD2 3.78Å; M342-F490 HydrophobicContact SD-CE2 4.13Å; M342-F490 HydrophobicContact SD-CG 3.87Å
343	I	89.8	Confident	77.8	Confident	24 Å²	24	40.2 Å²	40.2	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-37.6	173.2	-69.2	169.6	0	0	0	111.3	F339 I340 G345 I487 L521 I522 P527 L536	F339-I343 HydrophobicContact CD1-CD1 3.86Å; F339-I343 HydrophobicContact CE1-CD1 3.49Å; F339-I343 VanDerWaalsContact CE1-CD1 3.49Å; F339-I343 HydrophobicContact CE2-CD1 4.36Å; F339-I343 HydrophobicContact CG-CD1 4.45Å; F339-I343 HydrophobicContact CZ-CD1 3.79Å; F339-I343 WeakPolarHBondContact O-CG1 3.39Å; F339-I343 PolarHBondContact O-N 3.01Å; I340-I343 PolarHBondContact O-N 2.89Å; I343-G345 PolarHBondContact O-N 3.32Å; I343-I487 HydrophobicContact CG1-CG2 3.94Å; I343-L521 HydrophobicContact CD1-CB 4.19Å; I343-L521 HydrophobicContact CG2-CB 4.23Å; I343-I522 HydrophobicContact CD1-CD1 4.13Å; I343-I522 HydrophobicContact CD1-CG1 3.66Å; I343-I522 HydrophobicContact CG1-CG1 4.25Å; I343-P527 HydrophobicContact CG2-CB 3.68Å; I343-P527 HydrophobicContact CG2-CG 3.47Å; I343-P527 VanDerWaalsContact CG2-CG 3.47Å; I343-L536 HydrophobicContact CG2-CD2 4.32Å
344	N	87.8	Confident	75.1	Confident	43 Å²	43	48.9 Å²	48.9	23%	0.23	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.8	175	-155	19.8	0	0	0	113.5	I340 E341 M342 A346 W528 L536	I340-N344 WeakPolarHBondContact O-CB 3.47Å; I340-N344 PolarHBondContact O-N 3.2Å; E341-N344 PolarHBondContact O-N 3.18Å; E341-N344 PolarHBondContact OE2-ND2 3.49Å; M342-N344 VanDerWaalsContact C-N 3.34Å; N344-A346 VanDerWaalsContact C-N 3.33Å; N344-A346 PolarHBondContact O-N 2.84Å; N344-W528 WeakPolarHBondContact OD1-CZ2 3.2Å; N344-W528 PolarHBondContact OD1-NE1 3.3Å; N344-L536 HydrophobicContact CB-CD2 3.8Å; N344-L536 PolarHBondContact ND2-O 3.39Å
345	G	83.2	Confident	72.1	Confident	41 Å²	41	55.5 Å²	55.5	42%	0.423	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-2	-178.4	0	0	0	0	0	116	E341 M342 I343	E341-G345 PolarHBondContact O-N 3.35Å; E341-G345 VanDerWaalsContact O-N 3.1Å; M342-G345 PolarHBondContact O-N 3Å; I343-G345 PolarHBondContact O-N 3.32Å
346	A	75.8	Confident	69.1	Low	31 Å²	31	60.4 Å²	60.4	26%	0.256	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-28.6	-171.4	0	0	0	0	0	114.2	E341 N344	E341-A346 HydrophobicContact CB-CB 4.38Å; E341-A346 PolarHBondContact O-N 2.87Å; N344-A346 VanDerWaalsContact C-N 3.33Å; N344-A346 PolarHBondContact O-N 2.84Å
347	D	74.3	Confident	66.2	Low	9 Å²	9	64.4 Å²	64.4	5%	0.048	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	15.6	-172.5	-156.2	35.2	0	0	0	113.8	K308 M309 S310 Q338 E341 M342	K308-D347 VanDerWaalsContact C-OD1 3.25Å; K308-D347 VanDerWaalsContact CA-OD1 3.29Å; K308-D347 WeakPolarHBondContact CA-OD1 3.46Å; M309-D347 PolarHBondContact N-OD1 3.06Å; S310-D347 WeakPolarHBondContact CB-OD1 3.45Å; S310-D347 VanDerWaalsContact CB-OD2 3.27Å; S310-D347 WeakPolarHBondContact CB-OD2 3.27Å; S310-D347 PolarHBondContact N-OD1 2.7Å; S310-D347 PolarHBondContact N-OD2 3.49Å; S310-D347 VanDerWaalsContact OG-CG 3.26Å; S310-D347 PolarHBondContact OG-OD1 3.05Å; S310-D347 PolarHBondContact OG-OD2 3.27Å; Q338-D347 WeakPolarHBondContact CG-OD2 3.32Å; E341-D347 HydrophobicContact CB-CB 4.15Å; E341-D347 PolarHBondContact O-N 2.79Å; M342-D347 HydrophobicContact CG-CB 4.27Å
348	I	67.7	Low	63.2	Low	60 Å²	60	70.2 Å²	70.2	31%	0.308	40%	0.403	S	S	.	.			trans	-76.8	-28.5	-173.2	-66.3	179.3	0	0	0	113.3	N350 V483	I348-N350 VanDerWaalsContact C-N 3.28Å; I348-N350 PolarHBondContact O-N 3.16Å; I348-V483 HydrophobicContact CD1-CG1 3.63Å; I348-V483 HydrophobicContact CG2-CG2 4.19Å
349	E	58.4	Low	60.2	Low	130 Å²	130	76.6 Å²	76.6	61%	0.607	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.3	-160.4	-63.2	-171.7	124.3	0	0	115.4	K308	K308-E349 IonicContact NZ-OE2 3.85Å; K308-E349 PolarHBondContact NZ-OE2 2.87Å
350	N	49.2	Very low	57.3	Low	71 Å²	71	85.3 Å²	85.3	38%	0.38	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-7.5	-165	-113.5	7.9	0	0	0	116.1	Q311 I348 N352 N353	Q311-N350 PolarHBondContact NE2-ND2 3.22Å; I348-N350 VanDerWaalsContact C-N 3.28Å; I348-N350 PolarHBondContact O-N 3.16Å; N350-N352 PolarHBondContact O-N 3.15Å; N350-N353 PolarHBondContact O-N 2.93Å
351	V	46.4	Very low	54.6	Low	75 Å²	75	90.4 Å²	90.4	46%	0.455	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	30.5	-178.5	-154.5	0	0	0	0	112.8	K486	V351-K486 HydrophobicContact CB-CD 4.12Å; V351-K486 HydrophobicContact CG1-CD 3.9Å; V351-K486 PolarHBondContact O-NZ 2.84Å
352	N	38.7	Very low	51.6	Low	137 Å²	137	95.7 Å²	95.7	73%	0.733	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-16.6	175.6	-72.7	-28.4	0	0	0	112.7	N350	N350-N352 PolarHBondContact O-N 3.15Å
353	N	34	Very low	48.7	Very low	126 Å²	126	100 Å²	100	67%	0.674	57%	0.571	S	S	*	*	S	Bend	trans	-85.9	117.1	173.7	-79.5	-30.4	0	0	0	110.5	N350 V355	N350-N353 PolarHBondContact O-N 2.93Å; N353-V355 PolarHBondContact O-N 3.21Å; N353-V355 VanDerWaalsContact O-N 3.11Å
354	K	35.6	Very low	45.9	Very low	204 Å²	204	104.2 Å²	104.2	89%	0.887	60%	0.598	S	S	*	*			trans	-67.2	105.1	168.3	-77.8	-176.3	173.7	-178	0	109.9
355	V	31.9	Very low	43.1	Very low	138 Å²	138	109.9 Å²	109.9	84%	0.836	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-86.4	119.8	154.2	-179.4	0	0	0	0	107.4	N353	N353-V355 PolarHBondContact O-N 3.21Å; N353-V355 VanDerWaalsContact O-N 3.11Å
356	T	29.8	Very low	40.5	Very low	130 Å²	130	116.2 Å²	116.2	80%	0.798	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-68.3	142.1	178.4	-48.6	0	0	0	0	110.1
357	A	32.3	Very low	38.3	Very low	85 Å²	85	121.3 Å²	121.3	70%	0.702	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-49.5	138.1	-171.4	0	0	0	0	0	115.5
358	T	31.6	Very low	36.1	Very low	132 Å²	132	126.3 Å²	126.3	81%	0.81	71%	0.71	S	S	*	*				-177.1	92.2	111.8	39.1	0	0	0	0	112.4
359	T	29.9	Very low	34.1	Very low	150 Å²	150	129.9 Å²	129.9	92%	0.92	74%	0.735	S	S	*	*			trans	-156.6	56.2	157.4	4.9	0	0	0	0	113.6
360	Q	32.8	Very low	32.8	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	75%	0.746	S	S	*	*			trans	-79.6	143.4	141.4	-75.2	-179.9	-2	0	0	106.5
361	T	35.4	Very low	31.7	Very low	112 Å²	112	137 Å²	137	69%	0.687	77%	0.769	S	S	*	*			cis	-159.1	161	9.2	5.6	0	0	0	0	109.6
362	M	28.4	Very low	30.6	Very low	112 Å²	112	138.8 Å²	138.8	55%	0.552	79%	0.785	S	S	*	*	S	Bend	trans	-66.8	130.5	151.9	-79.8	-68.5	-74.2	0	0	108.7	T364	M362-T364 PolarHBondContact O-N 3.43Å
363	P	30.1	Very low	30.1	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	79%	0.792	S	S	*	*			trans	-72.1	105.4	-167.1	26.4	-34.5	0	0	0	112.9	N365	P363-N365 PolarHBondContact O-N 2.68Å
364	T	30.8	Very low	29.8	Very low	112 Å²	112	141.8 Å²	141.8	69%	0.687	80%	0.798	S	S	*	*			trans	-76.3	102.6	171.6	53.6	0	0	0	0	110.8	M362 Q366	M362-T364 PolarHBondContact O-N 3.43Å; T364-Q366 PolarHBondContact O-N 2.91Å
365	N	28.5	Very low	29.3	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	80%	0.796	S	S	*	*			trans	-62.8	105	173.7	-84.1	-25.5	0	0	0	111.4	P363	P363-N365 PolarHBondContact O-N 2.68Å
366	Q	29.6	Very low	28.9	Very low	173 Å²	173	140.4 Å²	140.4	81%	0.808	79%	0.793	S	S	*	*			trans	-89.2	124.5	166.8	-68	-171.1	-0.7	0	0	110.1	T364 S368	T364-Q366 PolarHBondContact O-N 2.91Å; Q366-S368 PolarHBondContact O-N 3.13Å
367	T	28.1	Very low	28.6	Very low	139 Å²	139	142.8 Å²	142.8	85%	0.853	79%	0.792	S	S	*	*			trans	-79.1	109.9	178.5	48.9	0	0	0	0	111.3
368	S	28.4	Very low	28.3	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	80%	0.799	S	S	*	*			trans	-97	123.6	171	-59.8	0	0	0	0	111.6	Q366	Q366-S368 PolarHBondContact O-N 3.13Å
369	V	26.1	Very low	28	Very low	136 Å²	136	145.2 Å²	145.2	82%	0.824	79%	0.789	S	S	*	*			trans	-90.6	118	179.4	177.7	0	0	0	0	110.3
370	I	30.1	Very low	27.8	Very low	164 Å²	164	147.4 Å²	147.4	84%	0.841	79%	0.785	S	S	*	*			trans	-132.8	148.7	165.6	-61.8	-175.4	0	0	0	109.2
371	Q	26.2	Very low	27.5	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.864	78%	0.784	S	S	*	*			trans	-90.5	155.7	-160.1	-62.6	157.8	-47.5	0	0	114.4
372	S	24.8	Very low	27	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	79%	0.791	S	S	*	*			trans	-74.5	148.4	176.6	-41.1	0	0	0	0	113.8
373	T	28.3	Very low	26.9	Very low	143 Å²	143	143.9 Å²	143.9	88%	0.877	81%	0.81	S	S	*	*			trans	-160.3	127.7	135.2	15.8	0	0	0	0	115.7
374	K	27.4	Very low	26.6	Very low	182 Å²	182	142.4 Å²	142.4	79%	0.791	81%	0.814	S	S	*	*			trans	-15.2	142.2	164.1	-59.9	168.5	178.3	173.7	0	120.4
375	T	24.5	Very low	26.4	Very low	140 Å²	140	145.3 Å²	145.3	86%	0.859	83%	0.825	S	S	*	*				-178.5	167.6	120.1	25.8	0	0	0	0	110.1
376	F	23.1	Very low	26.3	Very low	173 Å²	173	141 Å²	141	76%	0.759	82%	0.818	S	S	*	*				-165.4	145.6	-59.9	-145.7	-61.1	0	0	0	108.6
377	K	24.8	Very low	26.1	Very low	180 Å²	180	140.1 Å²	140.1	78%	0.783	82%	0.819	S	S	*	*			trans	98.5	113.1	158.7	-56	179.9	179.9	176.4	0	121
378	H	24.8	Very low	26.1	Very low	183 Å²	183	139.2 Å²	139.2	85%	0.847	81%	0.813	S	S	*	*				13.2	155.2	113.1	-74.5	-42	0	0	0	121.2
379	S	24.8	Very low	25.9	Very low	86 Å²	86	141.6 Å²	141.6	60%	0.601	82%	0.817	S	S	*	*			cis	179	170.9	-5.4	55.9	0	0	0	0	112.4
380	K	27	Very low	25.9	Very low	195 Å²	195	141 Å²	141	85%	0.848	81%	0.808	S	S	*	*			trans	72.1	154	158.3	-73.3	179.7	178.5	-179.6	0	116.7
381	S	26.3	Very low	25.7	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	81%	0.809	S	S	*	*			cis	-168.3	154.8	-13.7	47.1	0	0	0	0	111.2
382	G	25.2	Very low	25.8	Very low	81 Å²	81	140.2 Å²	140.2	84%	0.835	81%	0.806	S	S	*	*			trans	-174	145	166.1	0	0	0	0	0	111.4
383	S	25.3	Very low	25.8	Very low	136 Å²	136	141.5 Å²	141.5	95%	0.951	81%	0.809	S	S	*	*			trans	-142.4	143.5	-177.6	-172.8	0	0	0	0	111.5
384	G	25.4	Very low	25.7	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	81%	0.81	S	S	*	*			trans	-164.8	135.3	177.7	0	0	0	0	0	109.4
385	N	26.5	Very low	25.5	Very low	174 Å²	174	143.1 Å²	143.1	93%	0.93	81%	0.81	S	S	*	*			trans	-118.6	147.6	-162.1	-156.6	16.8	0	0	0	111.7
386	G	26	Very low	25.5	Very low	70 Å²	70	145 Å²	145	72%	0.722	81%	0.809	S	S	*	*			trans	-179.5	87.5	-178.7	0	0	0	0	0	117.4
387	N	25.1	Very low	25.6	Very low	155 Å²	155	143.7 Å²	143.7	83%	0.829	81%	0.81	S	S	*	*			trans	37.2	95.9	157	-69.8	4.1	0	0	0	121.1
388	V	27.5	Very low	25.7	Very low	120 Å²	120	142.2 Å²	142.2	73%	0.727	81%	0.81	S	S	*	*				30.1	118.7	108.7	-176.5	0	0	0	0	117.8	I390	V388-I390 HydrophobicContact CG1-CD1 4.47Å; V388-I390 HydrophobicContact CG1-CG1 4.35Å
389	N	23.9	Very low	25.8	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	81%	0.805	S	S	*	*				-142.8	152.8	122.7	-150.6	-5.9	0	0	0	110.5
390	I	26.8	Very low	25.8	Very low	125 Å²	125	139.9 Å²	139.9	64%	0.641	82%	0.816	S	S	*	*			trans	-123.8	134.3	-169.2	-64.8	168.8	0	0	0	109.8	V388	V388-I390 HydrophobicContact CG1-CD1 4.47Å; V388-I390 HydrophobicContact CG1-CG1 4.35Å
391	N	26.1	Very low	25.9	Very low	158 Å²	158	138.3 Å²	138.3	85%	0.845	82%	0.815	S	S	*	*			trans	-159	164.2	139.2	-107.3	-30.7	0	0	0	112.9
392	Q	27.8	Very low	26.1	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	81%	0.813	S	S	*	*			trans	-92.1	149.9	-157.1	-63.2	165.3	-12	0	0	113.7
393	T	25.2	Very low	26.1	Very low	141 Å²	141	139.3 Å²	139.3	87%	0.865	81%	0.812	S	S	*	*			trans	-97	120.5	166.6	37.3	0	0	0	0	110.9
394	Q	26	Very low	26.1	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	81%	0.806	S	S	*	*			trans	-138.3	156.6	159.5	-87.7	-165.4	-1.8	0	0	111.9
395	Q	23.8	Very low	26.2	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	81%	0.807	S	S	*	*			trans	-57.5	152	-172	-55.9	152.9	-8.7	0	0	113.7
396	Q	24.9	Very low	26.2	Very low	180 Å²	180	144 Å²	144	84%	0.841	80%	0.802	S	S	*	*				-177	168.2	101.6	-96.9	179.7	18.2	0	0	113.3
397	N	24.8	Very low	26.3	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	81%	0.806	S	S	*	*			trans	-84	156.2	-176.2	-52.2	-28.8	0	0	0	112.2
398	N	26	Very low	26.4	Very low	148 Å²	148	148.7 Å²	148.7	79%	0.791	81%	0.811	S	S	*	*				-162.9	129.2	129	-94.2	-44.4	0	0	0	109.1
399	T	26.8	Very low	26.2	Very low	121 Å²	121	146.8 Å²	146.8	74%	0.742	82%	0.815	S	S	*	*				70.9	116.5	67.6	-44.1	0	0	0	0	112
400	A	24.9	Very low	26.2	Very low	99 Å²	99	142.3 Å²	142.3	82%	0.818	81%	0.808	S	S	*	*			trans	-113.9	148.3	-176	0	0	0	0	0	112.5
401	I	28.9	Very low	26.1	Very low	162 Å²	162	144.4 Å²	144.4	83%	0.831	82%	0.821	S	S	*	*			trans	-137.8	140.4	174.9	-71	-175.3	0	0	0	107.5
402	P	30.1	Very low	26.3	Very low	121 Å²	121	146.4 Å²	146.4	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.6	161	-161.1	33.2	-37.6	0	0	0	115.1
403	A	26.2	Very low	26.4	Very low	99 Å²	99	144.2 Å²	144.2	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88	140.9	177.8	0	0	0	0	0	112.9
404	V	24.6	Very low	26.5	Very low	134 Å²	134	142.4 Å²	142.4	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-103.2	136.6	172.6	175.7	0	0	0	0	109.2
405	I	28.8	Very low	26.6	Very low	158 Å²	158	140.2 Å²	140.2	81%	0.81	80%	0.795	S	S	*	*			trans	-119	139	175	-61	-179.4	0	0	0	109.6
406	K	25.3	Very low	26.8	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	80%	0.8	S	S	*	*			trans	-105.8	151.7	176.2	-69.4	-179.1	177.1	179.8	0	110.7
407	P	29.3	Very low	26.8	Very low	122 Å²	122	140 Å²	140	79%	0.792	80%	0.796	S	S	*	*			trans	-86.1	145.7	-179	33.7	-35.4	0	0	0	114.5
408	Q	26	Very low	26.7	Very low	203 Å²	203	142 Å²	142	95%	0.949	80%	0.802	S	S	*	*			trans	-149.9	151.8	158.8	-66.8	-176.3	-16.3	0	0	106.8
409	G	24.1	Very low	26.7	Very low	79 Å²	79	142 Å²	142	81%	0.814	80%	0.801	S	S	*	*			cis	147.1	88.6	-7.8	0	0	0	0	0	112.9
410	G	24.1	Very low	26.7	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	80%	0.804	S	S	*	*			trans	90	147.4	-173.1	0	0	0	0	0	112.4
411	D	25.4	Very low	26.7	Very low	168 Å²	168	145.2 Å²	145.2	90%	0.898	81%	0.805	S	S	*	*			cis	-143.3	172.1	20.1	-89.9	-36.3	0	0	0	114
412	R	28.7	Very low	26.5	Very low	200 Å²	200	143.7 Å²	143.7	76%	0.755	80%	0.798	S	S	*	*			trans	-102.7	157.6	165	-98.5	-165	-175	-166	8	111.3	D414	R412-D414 IonicContact CZ-OD1 3.99Å; R412-D414 IonicContact NH1-OD1 2.91Å; R412-D414 PolarHBondContact NH1-OD1 2.73Å
413	P	31.1	Very low	26.4	Very low	129 Å²	129	144.7 Å²	144.7	84%	0.838	80%	0.797	S	S	*	*				-136.9	179.5	110.9	36.7	-25.1	0	0	0	114.1
414	D	25.8	Very low	26.4	Very low	103 Å²	103	143.8 Å²	143.8	55%	0.551	79%	0.785	S	S	*	*			trans	-110.4	153.7	-157.1	-69.8	-65.6	0	0	0	117	R412	R412-D414 IonicContact CZ-OD1 3.99Å; R412-D414 IonicContact NH1-OD1 2.91Å; R412-D414 PolarHBondContact NH1-OD1 2.73Å
415	I	28.9	Very low	26.5	Very low	142 Å²	142	144.1 Å²	144.1	73%	0.728	78%	0.782	S	S	*	*			trans	57.5	123.8	143.1	-64.1	161.3	0	0	0	120
416	K	27.2	Very low	26.3	Very low	205 Å²	205	145.4 Å²	145.4	89%	0.891	78%	0.782	S	S	*	*				-157	139.4	128	-113.8	166.1	-171.6	174.4	0	112.9
417	N	25.6	Very low	26.2	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	78%	0.783	S	S	*	*			trans	-81.9	150.1	176.1	-60.9	-8.8	0	0	0	111.2
418	M	23.9	Very low	26.1	Very low	186 Å²	186	143.1 Å²	143.1	92%	0.916	79%	0.785	S	S	*	*			trans	-137.3	156.4	139.7	-76.8	-154.2	70	0	0	109.9
419	L	25.3	Very low	26.2	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	78%	0.779	S	S	*	*			trans	-129.7	159.4	178.6	-80.8	165.7	0	0	0	108.1
420	V	27.4	Very low	26.4	Very low	130 Å²	130	146.3 Å²	146.3	79%	0.788	78%	0.779	S	S	*	*			trans	59.2	156.2	179.2	-97.6	0	0	0	0	114.3
421	D	23.9	Very low	26.5	Very low	159 Å²	159	149 Å²	149	85%	0.85	78%	0.776	S	S	*	*			cis	-120.5	166.3	23.7	-82.3	-56.3	0	0	0	116.1
422	D	25.5	Very low	26.8	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	78%	0.777	S	S	*	*			trans	-113.8	126.6	170.6	163.4	29.3	0	0	0	109.2
423	N	26.8	Very low	26.9	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	77%	0.773	S	S	*	*			trans	-173.1	121.5	142.1	-113.7	-80.9	0	0	0	116.5
424	S	28.1	Very low	27.1	Very low	80 Å²	80	141.9 Å²	141.9	56%	0.559	76%	0.764	S	S	*	*			trans	76.5	144.8	131.5	85.7	0	0	0	0	122.7
425	N	26.1	Very low	27.8	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	76%	0.764	S	S	*	*			trans	70.6	142.1	159.2	-64.1	-65.4	0	0	0	117.4
426	K	24.6	Very low	28.2	Very low	185 Å²	185	138.7 Å²	138.7	80%	0.804	75%	0.746	S	S	*	*			cis	-149.4	152.1	6.4	-143.9	174.3	-175.3	179.3	0	111.6
427	C	22.9	Very low	29	Very low	125 Å²	125	133.1 Å²	133.1	85%	0.845	73%	0.729	S	S	*	*			trans	-67.5	141.7	174.3	-47	0	0	0	0	111.6
428	V	26.7	Very low	29.5	Very low	140 Å²	140	134.7 Å²	134.7	85%	0.848	73%	0.732	S	S	*	*			trans	-137	117.3	161.4	-179.1	0	0	0	0	107.5
429	E	27.9	Very low	30.1	Very low	174 Å²	174	134.6 Å²	134.6	81%	0.813	73%	0.731	S	S	*	*			trans	-79.7	143.3	167.8	-57.5	176.1	133.8	0	0	109.1
430	H	28.2	Very low	30.4	Very low	175 Å²	175	135.1 Å²	135.1	81%	0.81	73%	0.73	S	S	*	*			trans	-174.4	155.6	135	-112.8	-81.1	0	0	0	113.9
431	D	26.3	Very low	30.4	Very low	125 Å²	125	133.2 Å²	133.2	67%	0.668	72%	0.72	S	S	*	*			trans	57.1	74.6	154.7	-65.1	1	0	0	0	119.7	N433	D431-N433 PolarHBondContact O-N 3.35Å
432	S	31.4	Very low	30.6	Very low	132 Å²	132	132.1 Å²	132.1	92%	0.923	72%	0.724	S	S	*	*			trans	-68.5	69.5	155.8	44.8	0	0	0	0	112.8
433	N	31.8	Very low	30.6	Very low	125 Å²	125	133.1 Å²	133.1	67%	0.668	72%	0.724	S	S	*	*			trans	-110.8	100.9	165.8	-103.1	-49.5	0	0	0	109.7	D431 M435	D431-N433 PolarHBondContact O-N 3.35Å; N433-M435 PolarHBondContact O-N 2.77Å; N433-M435 VanDerWaalsContact O-N 3.09Å
434	S	35.7	Very low	30.7	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	73%	0.726	S	S	*	*			trans	-69	111.3	178.6	-166.4	0	0	0	0	110.7	D436	S434-D436 PolarHBondContact OG-OD2 2.91Å
435	M	39.1	Very low	30.7	Very low	113 Å²	113	135.5 Å²	135.5	56%	0.557	73%	0.734	S	S	*	*			trans	-97.5	6.7	178.5	-84.1	-69.4	172.9	0	0	113.4	K302 N433	K302-M435 HydrophobicContact CD-SD 4.38Å; K302-M435 PolarHBondContact NZ-O 2.73Å; N433-M435 PolarHBondContact O-N 2.77Å; N433-M435 VanDerWaalsContact O-N 3.09Å
436	D	38.2	Very low	30.9	Very low	65 Å²	65	134.4 Å²	134.4	35%	0.348	74%	0.738	S	S	.	*			trans	-69.6	160.1	-171.1	-55.7	-30.7	0	0	0	112	K274 K302 S434	K274-D436 VanDerWaalsContact CD-OD1 3.23Å; K274-D436 WeakPolarHBondContact CD-OD1 3.5Å; K274-D436 WeakPolarHBondContact CE-OD1 3.34Å; K274-D436 IonicContact NZ-OD1 3.02Å; K274-D436 PolarHBondContact NZ-OD1 3.24Å; K274-D436 IonicContact NZ-OD2 3.26Å; K274-D436 PolarHBondContact NZ-OD2 3.35Å; K302-D436 PolarHBondContact NZ-O 2.9Å; S434-D436 PolarHBondContact OG-OD2 2.91Å
437	V	43.2	Very low	31.1	Very low	89 Å²	89	133.6 Å²	133.6	54%	0.539	74%	0.742	S	S	.	*			trans	-114.4	99.9	170.4	178.6	0	0	0	0	104.6	K302	K302-V437 HydrophobicContact CD-CG2 4.49Å
438	E	36.3	Very low	31.1	Very low	173 Å²	173	131.2 Å²	131.2	81%	0.808	74%	0.739	S	S	*	*			trans	-71	139.3	177.5	-65.9	-178.3	144.7	0	0	109.6	E440	E438-E440 PolarHBondContact O-N 2.96Å
439	M	37.1	Very low	31	Very low	184 Å²	184	128.1 Å²	128.1	91%	0.906	74%	0.735	S	S	*	*			trans	-91.7	90.5	-179.3	-167.9	-164	-56.5	0	0	109.3	P441	M439-P441 WeakPolarHBondContact O-CD 3.38Å
440	E	32.3	Very low	30.9	Very low	159 Å²	159	127.3 Å²	127.3	74%	0.743	74%	0.736	S	S	*	*			trans	-71.3	122.8	173.7	-87.1	-73.7	-177.9	0	0	111.2	E438	E438-E440 PolarHBondContact O-N 2.96Å
441	P	27.5	Very low	30.8	Very low	90 Å²	90	124.2 Å²	124.2	58%	0.584	74%	0.735	S	S	*	*			trans	-77.2	124.9	176.4	30.6	-33.3	0	0	0	111.2	M439 Q443	M439-P441 WeakPolarHBondContact O-CD 3.38Å; P441-Q443 PolarHBondContact O-N 3.14Å
442	C	26.5	Very low	30.8	Very low	137 Å²	137	123.5 Å²	123.5	93%	0.926	74%	0.739	S	S	*	*			trans	-63.8	85.3	-175.8	-64.2	0	0	0	0	114.3
443	Q	26.7	Very low	30.6	Very low	150 Å²	150	122.2 Å²	122.2	70%	0.701	73%	0.73	S	S	*	*			trans	-80.1	129.3	173.2	-64.5	-163.8	9.2	0	0	112.5	P441 H445	P441-Q443 PolarHBondContact O-N 3.14Å; Q443-H445 PolarHBondContact O-N 3.44Å
444	S	28.4	Very low	30.4	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	74%	0.738	S	S	*	*			trans	-87.8	82.7	-174.5	44.3	0	0	0	0	112.8	S446	S444-S446 PolarHBondContact O-N 3.09Å
445	H	27.2	Very low	29.9	Very low	158 Å²	158	122.6 Å²	122.6	73%	0.731	74%	0.741	S	S	*	*			trans	-72.6	92.8	175.8	-76	-60.5	0	0	0	113.2	Q443	Q443-H445 PolarHBondContact O-N 3.44Å
446	S	30.2	Very low	29.3	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	76%	0.758	S	S	*	*			trans	-55.9	132.9	154.2	-61	0	0	0	0	109.7	S444	S444-S446 PolarHBondContact O-N 3.09Å
447	N	29.3	Very low	28.8	Very low	167 Å²	167	126.3 Å²	126.3	89%	0.893	78%	0.775	S	S	*	*			trans	-134.4	135.2	176.2	-123	-3.8	0	0	0	111.3
448	G	23.5	Very low	28.1	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	79%	0.79	S	S	*	*			trans	-158.5	160.1	172	0	0	0	0	0	108.9
449	G	24.7	Very low	27.8	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	79%	0.791	S	S	*	*			trans	113.8	91.6	-179.8	0	0	0	0	0	113.7
450	D	26.1	Very low	27.4	Very low	156 Å²	156	122 Å²	122	83%	0.834	79%	0.787	S	S	*	*			trans	-15	142.5	157	-50.3	-53.3	0	0	0	118.7
451	S	26.2	Very low	27.4	Very low	111 Å²	111	125.6 Å²	125.6	78%	0.776	79%	0.793	S	S	*	*				-174.1	128.7	112.5	-79.4	0	0	0	0	115.1
452	S	25.7	Very low	27.5	Very low	109 Å²	109	129.1 Å²	129.1	76%	0.762	81%	0.807	S	S	*	*			trans	-16.9	155.9	145.5	44	0	0	0	0	118.4
453	S	27.8	Very low	27.8	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	80%	0.798	S	S	*	*			cis	-172.3	-163.9	-1.3	49.3	0	0	0	0	108
454	N	27.7	Very low	27.9	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	81%	0.807	S	S	*	*			cis	-163.1	162.5	11.7	-158.2	-1.1	0	0	0	112.2
455	G	24.6	Very low	27.9	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	81%	0.805	S	S	*	*			trans	82.7	146.9	164.2	0	0	0	0	0	116
456	N	26.4	Very low	28.1	Very low	170 Å²	170	126.7 Å²	126.7	91%	0.909	81%	0.806	S	S	*	*			cis	-142.2	159.5	-3.6	-170.7	19.5	0	0	0	109.8
457	A	28	Very low	28.2	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	81%	0.805	S	S	*	*			trans	-117.5	148.3	-168.6	0	0	0	0	0	114.2
458	S	27.6	Very low	28.2	Very low	120 Å²	120	127.9 Å²	127.9	84%	0.839	80%	0.802	S	S	*	*			trans	-145.6	112.6	155.1	59.2	0	0	0	0	109.4
459	A	31	Very low	28.7	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	80%	0.802	S	S	*	*			trans	-92.5	130.7	178.7	0	0	0	0	0	110.8
460	V	27.9	Very low	29.5	Very low	133 Å²	133	137.8 Å²	137.8	81%	0.806	81%	0.807	S	S	*	*			trans	-127.5	112.1	163.3	-179.6	0	0	0	0	107.9
461	R	31.9	Very low	30	Very low	235 Å²	235	139.5 Å²	139.5	89%	0.887	81%	0.813	S	S	*	*			trans	-75.5	136.3	157.8	-77.9	177.6	168.3	175.6	-4.7	107.6
462	N	30	Very low	30.4	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	81%	0.814	S	S	*	*			trans	-157.3	147.9	132.2	-99.5	-21.1	0	0	0	110.6
463	S	32.5	Very low	31	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	80%	0.798	S	S	*	*			trans	-101.6	135.4	166	179.6	0	0	0	0	107.3
464	L	30.2	Very low	31.5	Very low	169 Å²	169	138.3 Å²	138.3	89%	0.885	79%	0.789	S	S	*	*			trans	-163.3	159.4	144.5	-133.7	71.8	0	0	0	110.7
465	D	27.5	Very low	32.1	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	78%	0.782	S	S	*	*			trans	-88.1	153.4	-175.2	-58.8	-84.8	0	0	0	114.1
466	A	32	Very low	32.9	Very low	90 Å²	90	137.1 Å²	137.1	74%	0.744	78%	0.78	S	S	*	*			trans	73.9	159.8	145.1	0	0	0	0	0	121.7
467	I	32	Very low	33.8	Very low	158 Å²	158	132.3 Å²	132.3	81%	0.81	76%	0.76	S	S	*	*			trans	61.4	85.4	162.6	56.5	171.1	0	0	0	121.4
468	D	28.7	Very low	34.7	Very low	153 Å²	153	135.9 Å²	135.9	82%	0.818	76%	0.755	S	S	*	*				82.6	157	108.5	-126.3	-17.4	0	0	0	123.4
469	E	35.1	Very low	35.9	Very low	169 Å²	169	135.3 Å²	135.3	79%	0.79	74%	0.742	S	S	*	*			trans	60.9	109.6	170.6	-59.2	-157.7	150.4	0	0	121.3
470	E	41.2	Very low	37	Very low	189 Å²	189	134 Å²	134	88%	0.883	73%	0.726	S	S	*	*			trans	48	115.3	146.3	-54.2	-151.1	150.2	0	0	122.2
471	M	35.7	Very low	38.7	Very low	193 Å²	193	129.7 Å²	129.7	95%	0.951	71%	0.709	S	S	*	*			trans	-148	160.2	139.8	-126.9	-173.3	-175.3	0	0	114
472	D	34.2	Very low	40.6	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	70%	0.696	S	S	*	*			trans	-57.6	143.2	-160.1	-146.4	-22	0	0	0	116.8
473	V	38.6	Very low	42.8	Very low	70 Å²	70	120.6 Å²	120.6	42%	0.424	67%	0.667	S	S	.	*			trans	-100.7	108.2	-173.7	-179.1	0	0	0	0	111.8	R478	V473-R478 HydrophobicContact CG1-CG 4.16Å
474	S	37.9	Very low	45.1	Very low	79 Å²	79	119.8 Å²	119.8	55%	0.552	65%	0.654	S	S	*	*			trans	-57.5	148.5	178.7	-74.9	0	0	0	0	114	S476 S477	S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.16Å; S474-S476 VanDerWaalsContact O-N 3.07Å; S474-S477 PolarHBondContact O-N 2.94Å; S474-S477 VanDerWaalsContact O-N 3.13Å
475	P	40.3	Very low	47.6	Very low	106 Å²	106	117.8 Å²	117.8	69%	0.688	64%	0.64	S	S	*	*	H	α-helix	trans	-59.1	-28.9	-168.3	-27	35.4	0	0	0	116
476	S	43.3	Very low	50.4	Low	93 Å²	93	114.1 Å²	114.1	65%	0.65	62%	0.617	S	S	*	*	H	α-helix	trans	-66.2	-36.7	179.3	45.4	0	0	0	0	113.3	S474 R478 N479	S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.16Å; S474-S476 VanDerWaalsContact O-N 3.07Å; S476-R478 PolarHBondContact O-N 3.11Å; S476-N479 PolarHBondContact O-N 3.2Å
477	S	43.5	Very low	53.1	Low	69 Å²	69	110.7 Å²	110.7	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-63.4	-41.2	179.3	173.2	0	0	0	0	111.8	S474 N479 C480 G481	S474-S477 PolarHBondContact O-N 2.94Å; S474-S477 VanDerWaalsContact O-N 3.13Å; S477-N479 PolarHBondContact O-N 3.19Å; S477-C480 PolarHBondContact O-N 2.91Å; S477-C480 VanDerWaalsContact O-N 3.11Å; S477-G481 PolarHBondContact O-N 2.9Å
478	R	46.9	Very low	55.8	Low	162 Å²	162	106.9 Å²	106.9	61%	0.611	57%	0.567	S	S	*	*	H	α-helix	trans	-61.7	-26	-179.6	-70	-176.4	173.6	174	0.7	113.7	V473 S476 R482	V473-R478 HydrophobicContact CG1-CG 4.16Å; S476-R478 PolarHBondContact O-N 3.11Å; R478-R482 WeakPolarHBondContact O-CG 3.31Å; R478-R482 PolarHBondContact O-N 3.33Å
479	N	54.3	Low	58.7	Low	108 Å²	108	106 Å²	106	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-77.2	-37.8	175.3	-78.2	-7.5	0	0	0	112.4	S476 S477 R482 V483	S476-N479 PolarHBondContact O-N 3.2Å; S477-N479 PolarHBondContact O-N 3.19Å; N479-R482 PolarHBondContact O-N 3.49Å; N479-V483 PolarHBondContact O-N 2.92Å
480	C	54.5	Low	61.5	Low	75 Å²	75	98.9 Å²	98.9	51%	0.507	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-45.7	177.5	-174	0	0	0	0	111.5	S477 R482 V483 I484	S477-C480 PolarHBondContact O-N 2.91Å; S477-C480 VanDerWaalsContact O-N 3.11Å; C480-R482 VanDerWaalsContact C-N 3.32Å; C480-R482 PolarHBondContact O-N 3.18Å; C480-V483 PolarHBondContact O-N 3.35Å; C480-V483 VanDerWaalsContact O-N 3.1Å; C480-I484 PolarHBondContact O-N 2.8Å; C480-I484 VanDerWaalsContact O-N 3.14Å
481	G	62.2	Low	63.9	Low	43 Å²	43	90.4 Å²	90.4	44%	0.443	49%	0.487	S	S	.	.	H	α-helix	trans	-56.2	-43.5	175.3	0	0	0	0	0	113	S477 V483 I484 E485	S477-G481 PolarHBondContact O-N 2.9Å; G481-V483 VanDerWaalsContact C-N 3.31Å; G481-V483 PolarHBondContact O-N 3.26Å; G481-I484 PolarHBondContact O-N 2.96Å; G481-E485 WeakPolarHBondContact O-CB 3.41Å; G481-E485 PolarHBondContact O-N 3.2Å
482	R	71.5	Confident	66.6	Low	162 Å²	162	88.4 Å²	88.4	61%	0.611	47%	0.473	S	S	*	.	H	α-helix	trans	-67	-25.1	177.3	-77.2	176.8	167.9	-164	-4.1	114.8	R478 N479 C480 K486	R478-R482 WeakPolarHBondContact O-CG 3.31Å; R478-R482 PolarHBondContact O-N 3.33Å; N479-R482 PolarHBondContact O-N 3.49Å; C480-R482 VanDerWaalsContact C-N 3.32Å; C480-R482 PolarHBondContact O-N 3.18Å; R482-K486 VanDerWaalsContact O-CG 3.32Å; R482-K486 WeakPolarHBondContact O-CG 3.44Å; R482-K486 PolarHBondContact O-N 3.22Å
483	V	76.5	Confident	69.4	Low	45 Å²	45	86.1 Å²	86.1	27%	0.273	46%	0.458	S	S	.	.	H	α-helix	trans	-73.7	-48.3	172.7	165.1	0	0	0	0	109.8	I348 N479 C480 G481 E485 K486 I487	I348-V483 HydrophobicContact CD1-CG1 3.63Å; I348-V483 HydrophobicContact CG2-CG2 4.19Å; N479-V483 PolarHBondContact O-N 2.92Å; C480-V483 PolarHBondContact O-N 3.35Å; C480-V483 VanDerWaalsContact O-N 3.1Å; G481-V483 VanDerWaalsContact C-N 3.31Å; G481-V483 PolarHBondContact O-N 3.26Å; V483-E485 VanDerWaalsContact C-N 3.33Å; V483-E485 PolarHBondContact O-N 3Å; V483-K486 PolarHBondContact O-N 3.14Å; V483-I487 HydrophobicContact CG1-CD1 3.87Å; V483-I487 WeakPolarHBondContact O-CG1 3.23Å; V483-I487 PolarHBondContact O-N 2.81Å
484	I	80.8	Confident	72	Confident	88 Å²	88	82.9 Å²	82.9	45%	0.451	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-41	179.2	-62.9	170.8	0	0	0	110.7	C480 G481 K486 I487 L488	C480-I484 PolarHBondContact O-N 2.8Å; C480-I484 VanDerWaalsContact O-N 3.14Å; G481-I484 PolarHBondContact O-N 2.96Å; I484-K486 PolarHBondContact O-N 3.06Å; I484-I487 PolarHBondContact O-N 3.08Å; I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.31Å; I484-L488 WeakPolarHBondContact O-CB 3.43Å; I484-L488 WeakPolarHBondContact O-CG 3.29Å; I484-L488 PolarHBondContact O-N 2.95Å
485	E	84	Confident	74.6	Confident	126 Å²	126	80.8 Å²	80.8	59%	0.589	42%	0.424	S	S	*	.	H	α-helix	trans	-55.6	-47.6	174.4	-175.5	173.3	-143.8	0	0	112.2	G481 V483 L488 E489	G481-E485 WeakPolarHBondContact O-CB 3.41Å; G481-E485 PolarHBondContact O-N 3.2Å; V483-E485 VanDerWaalsContact C-N 3.33Å; V483-E485 PolarHBondContact O-N 3Å; E485-L488 PolarHBondContact O-N 2.79Å; E485-E489 WeakPolarHBondContact O-CB 3.38Å; E485-E489 PolarHBondContact O-N 2.89Å
486	K	84.6	Confident	77.1	Confident	68 Å²	68	79.4 Å²	79.4	30%	0.296	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-38	176.5	-72.9	173.7	-179.5	-176.6	0	113.2	V351 R482 V483 I484 E489 F490	V351-K486 HydrophobicContact CB-CD 4.12Å; V351-K486 HydrophobicContact CG1-CD 3.9Å; V351-K486 PolarHBondContact O-NZ 2.84Å; R482-K486 VanDerWaalsContact O-CG 3.32Å; R482-K486 WeakPolarHBondContact O-CG 3.44Å; R482-K486 PolarHBondContact O-N 3.22Å; V483-K486 PolarHBondContact O-N 3.14Å; I484-K486 PolarHBondContact O-N 3.06Å; K486-E489 PolarHBondContact O-N 3.05Å; K486-F490 WeakPolarHBondContact O-CB 3.4Å; K486-F490 PolarHBondContact O-N 3.35Å
487	I	88.8	Confident	79.5	Confident	18 Å²	18	77 Å²	77	9%	0.092	40%	0.395	C	S	.	.	H	α-helix	trans	-64	-43.7	174.8	-67.5	167.3	0	0	0	110	F339 M342 I343 V483 I484 F490 G491 I522	F339-I487 HydrophobicContact CD2-CG2 4.4Å; F339-I487 HydrophobicContact CE2-CG2 3.83Å; F339-I487 WeakPolarHBondContact CE2-O 3.39Å; F339-I487 HydrophobicContact CZ-CG2 4.47Å; M342-I487 HydrophobicContact CB-CG1 4.2Å; M342-I487 HydrophobicContact CE-CG1 4.17Å; I343-I487 HydrophobicContact CG1-CG2 3.94Å; V483-I487 HydrophobicContact CG1-CD1 3.87Å; V483-I487 WeakPolarHBondContact O-CG1 3.23Å; V483-I487 PolarHBondContact O-N 2.81Å; I484-I487 PolarHBondContact O-N 3.08Å; I487-F490 PolarHBondContact O-N 2.65Å; I487-G491 PolarHBondContact O-N 2.91Å; I487-I522 HydrophobicContact CG2-CD1 3.64Å
488	L	89.6	Confident	81.7	Confident	79 Å²	79	73.7 Å²	73.7	41%	0.414	37%	0.372	S	S	.	.	H	α-helix	trans	-70.5	-30.6	177.9	-68.4	173.1	0	0	0	113.2	I484 E485 K492 I522	I484-L488 HydrophobicContact CG2-CD1 3.92Å; I484-L488 HydrophobicContact CG2-CG 4.31Å; I484-L488 WeakPolarHBondContact O-CB 3.43Å; I484-L488 WeakPolarHBondContact O-CG 3.29Å; I484-L488 PolarHBondContact O-N 2.95Å; E485-L488 PolarHBondContact O-N 2.79Å; L488-K492 WeakPolarHBondContact O-CD 3.38Å; L488-K492 WeakPolarHBondContact O-CG 3.41Å; L488-K492 PolarHBondContact O-N 3.25Å; L488-I522 HydrophobicContact CD2-CD1 4.19Å; L488-I522 HydrophobicContact CD2-CG2 4.33Å
489	E	89.9	Confident	83.9	Confident	134 Å²	134	71.6 Å²	71.6	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-67.3	-48.9	171.6	-173.8	169.2	-141.8	0	0	111	E485 K486 G491 K492 E493	E485-E489 WeakPolarHBondContact O-CB 3.38Å; E485-E489 PolarHBondContact O-N 2.89Å; K486-E489 PolarHBondContact O-N 3.05Å; E489-G491 VanDerWaalsContact C-N 3.31Å; E489-G491 PolarHBondContact O-N 3.34Å; E489-K492 WeakPolarHBondContact O-CB 3.4Å; E489-K492 PolarHBondContact O-N 3.13Å; E489-K492 VanDerWaalsContact O-N 3.13Å; E489-E493 PolarHBondContact O-N 3.06Å; E489-E493 VanDerWaalsContact O-N 3.16Å
490	F	92.7	Very high	85.7	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.088	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-39.6	174.2	-169.1	-75.2	0	0	0	112.1	K335 Q338 F339 M342 K486 I487 K492 E493 L494	K335-F490 HydrophobicContact CB-CZ 4.47Å; K335-F490 HydrophobicContact CD-CE1 4.36Å; K335-F490 HydrophobicContact CD-CE2 4.13Å; K335-F490 HydrophobicContact CD-CZ 3.53Å; K335-F490 WeakPolarHBondContact O-CE1 3.31Å; Q338-F490 HydrophobicContact CB-CZ 3.93Å; Q338-F490 VanDerWaalsContact CD-CZ 3.49Å; Q338-F490 HydrophobicContact CG-CE2 4Å; Q338-F490 HydrophobicContact CG-CZ 3.8Å; Q338-F490 VanDerWaalsContact OE1-CZ 3.25Å; F339-F490 HydrophobicContact CB-CD1 3.96Å; F339-F490 HydrophobicContact CB-CE1 3.77Å; F339-F490 AromaticContact CD2-CD1 3.79Å; F339-F490 HydrophobicContact CD2-CD1 3.79Å; F339-F490 HydrophobicContact CD2-CE1 4.46Å; F339-F490 HydrophobicContact CG-CD1 4.32Å; M342-F490 HydrophobicContact CE-CB 3.93Å; M342-F490 HydrophobicContact CE-CD2 4.26Å; M342-F490 HydrophobicContact CE-CG 4.18Å; M342-F490 HydrophobicContact SD-CB 4.28Å; M342-F490 HydrophobicContact SD-CD1 4.34Å; M342-F490 HydrophobicContact SD-CD2 3.78Å; M342-F490 HydrophobicContact SD-CE2 4.13Å; M342-F490 HydrophobicContact SD-CG 3.87Å; K486-F490 WeakPolarHBondContact O-CB 3.4Å; K486-F490 PolarHBondContact O-N 3.35Å; I487-F490 PolarHBondContact O-N 2.65Å; F490-K492 PolarHBondContact O-N 3.09Å; F490-E493 WeakPolarHBondContact O-CB 3.3Å; F490-E493 PolarHBondContact O-N 2.72Å; F490-E493 VanDerWaalsContact O-N 3.14Å; F490-L494 HydrophobicContact CD1-CB 4.41Å; F490-L494 HydrophobicContact CE1-CB 4.35Å; F490-L494 WeakPolarHBondContact O-CB 3.33Å; F490-L494 PolarHBondContact O-N 2.81Å
491	G	92.9	Very high	87.4	Confident	10 Å²	10	67 Å²	67	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-33.1	176.1	0	0	0	0	0	113.2	I487 E489 S495 F519	I487-G491 PolarHBondContact O-N 2.91Å; E489-G491 VanDerWaalsContact C-N 3.31Å; E489-G491 PolarHBondContact O-N 3.34Å; G491-S495 WeakPolarHBondContact O-CB 3.13Å; G491-S495 PolarHBondContact O-N 2.92Å; G491-F519 WeakPolarHBondContact O-CZ 3.32Å
492	K	92.2	Very high	88.8	Confident	151 Å²	151	69.5 Å²	69.5	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-72.2	-40.8	173.4	-66.7	161.3	-172.1	169.4	0	112	L488 E489 F490 S495 S496	L488-K492 WeakPolarHBondContact O-CD 3.38Å; L488-K492 WeakPolarHBondContact O-CG 3.41Å; L488-K492 PolarHBondContact O-N 3.25Å; E489-K492 WeakPolarHBondContact O-CB 3.4Å; E489-K492 PolarHBondContact O-N 3.13Å; E489-K492 VanDerWaalsContact O-N 3.13Å; F490-K492 PolarHBondContact O-N 3.09Å; K492-S495 PolarHBondContact O-N 3.46Å; K492-S496 WeakPolarHBondContact O-CB 3.22Å; K492-S496 PolarHBondContact O-N 3.46Å
493	E	93.4	Very high	89.7	Confident	102 Å²	102	69.9 Å²	69.9	48%	0.477	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-49.7	172.4	-172.3	-166.3	132.3	0	0	110.5	K335 E489 F490 S496 M497	K335-E493 IonicContact NZ-OE1 3.3Å; K335-E493 PolarHBondContact NZ-OE1 3.07Å; E489-E493 PolarHBondContact O-N 3.06Å; E489-E493 VanDerWaalsContact O-N 3.16Å; F490-E493 WeakPolarHBondContact O-CB 3.3Å; F490-E493 PolarHBondContact O-N 2.72Å; F490-E493 VanDerWaalsContact O-N 3.14Å; E493-S496 WeakPolarHBondContact O-CB 3.08Å; E493-S496 PolarHBondContact O-N 3.3Å; E493-M497 PolarHBondContact O-N 3.17Å
494	L	93.3	Very high	90.4	Very high	2 Å²	2	71 Å²	71	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-44.7	179.2	-175.1	67.7	0	0	0	112.2	F332 K335 F339 F490 S496 M497 G498 L515 F519	F332-L494 HydrophobicContact CD2-CD1 3.93Å; F332-L494 HydrophobicContact CE2-CD1 3.62Å; F332-L494 HydrophobicContact CE2-CG 4.18Å; F332-L494 HydrophobicContact CZ-CD1 4.39Å; K335-L494 HydrophobicContact CB-CD1 3.68Å; F339-L494 HydrophobicContact CB-CD2 4Å; F339-L494 HydrophobicContact CD1-CD2 4.24Å; F339-L494 HydrophobicContact CG-CD2 4.09Å; F490-L494 HydrophobicContact CD1-CB 4.41Å; F490-L494 HydrophobicContact CE1-CB 4.35Å; F490-L494 WeakPolarHBondContact O-CB 3.33Å; F490-L494 PolarHBondContact O-N 2.81Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.5Å; L494-M497 WeakPolarHBondContact O-CB 3.3Å; L494-M497 PolarHBondContact O-N 3.3Å; L494-M497 VanDerWaalsContact O-N 3.17Å; L494-G498 PolarHBondContact O-N 2.97Å; L494-L515 HydrophobicContact CD2-CD1 3.62Å; L494-L515 HydrophobicContact CG-CD1 3.67Å; L494-F519 HydrophobicContact CD2-CE1 4.13Å; L494-F519 HydrophobicContact CD2-CZ 4.36Å
495	S	91.8	Very high	90.7	Very high	36 Å²	36	73.9 Å²	73.9	25%	0.252	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-38.2	175.5	-176.5	0	0	0	0	112.1	G491 K492 M497 G498 Q499	G491-S495 WeakPolarHBondContact O-CB 3.13Å; G491-S495 PolarHBondContact O-N 2.92Å; K492-S495 PolarHBondContact O-N 3.46Å; S495-M497 VanDerWaalsContact C-N 3.33Å; S495-G498 PolarHBondContact O-N 3.39Å; S495-Q499 WeakPolarHBondContact O-CG 3.14Å; S495-Q499 PolarHBondContact O-N 2.67Å
496	S	93.6	Very high	90.9	Very high	77 Å²	77	71.4 Å²	71.4	54%	0.538	35%	0.352	S	S	.	.	H	α-helix	trans	-67.6	-33.5	175.3	-171.8	0	0	0	0	112.1	K492 E493 L494 Q500	K492-S496 WeakPolarHBondContact O-CB 3.22Å; K492-S496 PolarHBondContact O-N 3.46Å; E493-S496 WeakPolarHBondContact O-CB 3.08Å; E493-S496 PolarHBondContact O-N 3.3Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.5Å; S496-Q500 PolarHBondContact O-N 2.7Å
497	M	92.1	Very high	91.1	Very high	42 Å²	42	69.6 Å²	69.6	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-43.8	174.8	-168.2	176.9	-176	0	0	111.3	W331 F332 K335 E493 L494 S495 Q500 L501	W331-M497 HydrophobicContact CB-CE 3.91Å; W331-M497 HydrophobicContact CD2-CE 4.16Å; W331-M497 HydrophobicContact CG-CE 3.89Å; F332-M497 HydrophobicContact CB-CE 3.99Å; F332-M497 HydrophobicContact CB-SD 4.26Å; F332-M497 HydrophobicContact CD2-CB 4.16Å; F332-M497 HydrophobicContact CD2-CG 3.89Å; F332-M497 HydrophobicContact CD2-SD 3.97Å; F332-M497 HydrophobicContact CE2-CB 4.5Å; K335-M497 HydrophobicContact CB-SD 4.48Å; K335-M497 HydrophobicContact CG-SD 4.19Å; E493-M497 PolarHBondContact O-N 3.17Å; L494-M497 WeakPolarHBondContact O-CB 3.3Å; L494-M497 PolarHBondContact O-N 3.3Å; L494-M497 VanDerWaalsContact O-N 3.17Å; S495-M497 VanDerWaalsContact C-N 3.33Å; M497-Q500 PolarHBondContact O-N 3.14Å; M497-L501 PolarHBondContact O-N 3.37Å
498	G	91.3	Very high	91.1	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-49.8	174.3	0	0	0	0	0	112.6	L494 S495 Q500 L501 E502	L494-G498 PolarHBondContact O-N 2.97Å; S495-G498 PolarHBondContact O-N 3.39Å; G498-Q500 PolarHBondContact O-N 2.91Å; G498-L501 WeakPolarHBondContact O-CB 3.37Å; G498-L501 PolarHBondContact O-N 2.74Å; G498-E502 WeakPolarHBondContact O-CG 3.47Å; G498-E502 PolarHBondContact O-N 3.24Å
499	Q	91.9	Very high	91	Very high	117 Å²	117	74.2 Å²	74.2	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-33.1	176.6	-72.6	172.3	15.9	0	0	113.2	S495 K503	S495-Q499 WeakPolarHBondContact O-CG 3.14Å; S495-Q499 PolarHBondContact O-N 2.67Å; Q499-K503 VanDerWaalsContact O-CB 3.26Å; Q499-K503 WeakPolarHBondContact O-CB 3.36Å; Q499-K503 PolarHBondContact O-N 3.08Å; Q499-K503 VanDerWaalsContact O-N 3.07Å
500	Q	91.6	Very high	90.8	Very high	83 Å²	83	75.4 Å²	75.4	39%	0.388	38%	0.375	S	S	.	.	H	α-helix	trans	-73.4	-35.1	175.2	-177.5	60.7	27.3	0	0	111.9	S496 M497 G498 E504	S496-Q500 PolarHBondContact O-N 2.7Å; M497-Q500 PolarHBondContact O-N 3.14Å; G498-Q500 PolarHBondContact O-N 2.91Å; Q500-E504 PolarHBondContact NE2-OE1 3.1Å; Q500-E504 WeakPolarHBondContact O-CB 3.41Å; Q500-E504 WeakPolarHBondContact O-CG 3.36Å; Q500-E504 PolarHBondContact O-N 2.92Å
501	L	90.6	Very high	90.4	Very high	5 Å²	5	75.3 Å²	75.3	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-68.5	-39.6	172.6	-72.9	173.4	0	0	0	112.6	K328 F332 M497 G498 E504 N505 L506 M507	K328-L501 HydrophobicContact CB-CD2 3.8Å; K328-L501 HydrophobicContact CD-CD2 4.32Å; F332-L501 HydrophobicContact CB-CD1 3.6Å; F332-L501 HydrophobicContact CD1-CD1 4.04Å; F332-L501 HydrophobicContact CD2-CD1 4.01Å; F332-L501 HydrophobicContact CG-CD1 3.6Å; M497-L501 PolarHBondContact O-N 3.37Å; G498-L501 WeakPolarHBondContact O-CB 3.37Å; G498-L501 PolarHBondContact O-N 2.74Å; L501-E504 CarbonylContact O-C 3.59Å; L501-E504 PolarHBondContact O-N 3.09Å; L501-N505 PolarHBondContact O-N 3.07Å; L501-N505 VanDerWaalsContact O-N 3.09Å; L501-L506 HydrophobicContact CD2-CB 3.85Å; L501-L506 HydrophobicContact CD2-CD1 4.21Å; L501-L506 PolarHBondContact O-N 2.61Å; L501-M507 HydrophobicContact CB-CB 3.98Å; L501-M507 HydrophobicContact CB-SD 3.89Å; L501-M507 HydrophobicContact CD1-SD 4.01Å; L501-M507 PolarHBondContact O-N 3.33Å
502	E	91	Very high	90.2	Very high	95 Å²	95	78.3 Å²	78.3	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-47.6	173.1	-71	174.5	167	0	0	110.6	G498 E504 N505 M507	G498-E502 WeakPolarHBondContact O-CG 3.47Å; G498-E502 PolarHBondContact O-N 3.24Å; E502-E504 VanDerWaalsContact C-N 3.3Å; E502-E504 PolarHBondContact O-N 3.27Å; E502-N505 PolarHBondContact O-N 2.72Å; E502-M507 HydrophobicContact CB-CB 4.49Å; E502-M507 HydrophobicContact CG-CB 3.87Å; E502-M507 HydrophobicContact CG-CG 3.89Å
503	K	92.1	Very high	90.2	Very high	170 Å²	170	75.3 Å²	75.3	74%	0.739	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-30.1	178	-178.2	-179.2	174.6	-172.2	0	113.8	Q499 N505	Q499-K503 VanDerWaalsContact O-CB 3.26Å; Q499-K503 WeakPolarHBondContact O-CB 3.36Å; Q499-K503 PolarHBondContact O-N 3.08Å; Q499-K503 VanDerWaalsContact O-N 3.07Å; K503-N505 VanDerWaalsContact C-N 3.3Å
504	E	90.3	Very high	89.9	Confident	69 Å²	69	73.8 Å²	73.8	32%	0.322	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.5	172.7	-71.5	-177.3	-154.2	0	0	113.2	K328 Q500 L501 E502 L506	K328-E504 IonicContact NZ-OE1 3.36Å; K328-E504 PolarHBondContact NZ-OE1 2.9Å; K328-E504 IonicContact NZ-OE2 3.74Å; K328-E504 PolarHBondContact NZ-OE2 2.95Å; Q500-E504 PolarHBondContact NE2-OE1 3.1Å; Q500-E504 WeakPolarHBondContact O-CB 3.41Å; Q500-E504 WeakPolarHBondContact O-CG 3.36Å; Q500-E504 PolarHBondContact O-N 2.92Å; L501-E504 CarbonylContact O-C 3.59Å; L501-E504 PolarHBondContact O-N 3.09Å; E502-E504 VanDerWaalsContact C-N 3.3Å; E502-E504 PolarHBondContact O-N 3.27Å; E504-L506 HydrophobicContact CB-CD1 4.05Å; E504-L506 HydrophobicContact CB-CG 4.03Å; E504-L506 PolarHBondContact O-N 3.02Å; E504-L506 WeakPolarHBondContact OE2-CD1 3.39Å
505	N	87.8	Confident	89.8	Confident	148 Å²	148	74.4 Å²	74.4	79%	0.791	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.1	-173.6	-156.3	108.9	0	0	0	112.7	L501 E502 K503	L501-N505 PolarHBondContact O-N 3.07Å; L501-N505 VanDerWaalsContact O-N 3.09Å; E502-N505 PolarHBondContact O-N 2.72Å; K503-N505 VanDerWaalsContact C-N 3.3Å
506	L	87.6	Confident	89.8	Confident	73 Å²	73	77 Å²	77	38%	0.382	38%	0.376	S	S	.	.			trans	-105.5	-17.4	175.7	-65.9	178.6	0	0	0	113	K328 N329 L501 E504	K328-L506 HydrophobicContact CD-CD1 4.21Å; N329-L506 PolarHBondContact ND2-O 2.76Å; L501-L506 HydrophobicContact CD2-CB 3.85Å; L501-L506 HydrophobicContact CD2-CD1 4.21Å; L501-L506 PolarHBondContact O-N 2.61Å; E504-L506 HydrophobicContact CB-CD1 4.05Å; E504-L506 HydrophobicContact CB-CG 4.03Å; E504-L506 PolarHBondContact O-N 3.02Å; E504-L506 WeakPolarHBondContact OE2-CD1 3.39Å
507	M	88.6	Confident	89.7	Confident	30 Å²	30	74.8 Å²	74.8	15%	0.148	36%	0.358	C	S	.	.			trans	-70.5	130	178.8	-163.5	76.7	160.8	0	0	111.5	F332 L501 E502 E511 R512 L515	F332-M507 HydrophobicContact CD1-SD 4.35Å; F332-M507 HydrophobicContact CE1-CE 3.6Å; F332-M507 HydrophobicContact CE1-SD 3.97Å; F332-M507 HydrophobicContact CZ-CE 3.64Å; F332-M507 HydrophobicContact CZ-SD 4.33Å; L501-M507 HydrophobicContact CB-CB 3.98Å; L501-M507 HydrophobicContact CB-SD 3.89Å; L501-M507 HydrophobicContact CD1-SD 4.01Å; L501-M507 PolarHBondContact O-N 3.33Å; E502-M507 HydrophobicContact CB-CB 4.49Å; E502-M507 HydrophobicContact CG-CB 3.87Å; E502-M507 HydrophobicContact CG-CG 3.89Å; M507-E511 HydrophobicContact CE-CB 4.11Å; M507-E511 HydrophobicContact SD-CB 3.93Å; M507-R512 HydrophobicContact CE-CB 4.37Å; M507-L515 HydrophobicContact CE-CD2 4.31Å
508	T	88.1	Confident	89.6	Confident	65 Å²	65	72.8 Å²	72.8	40%	0.399	35%	0.348	S	S	.	.			trans	-91.9	159.6	169.9	63.3	0	0	0	0	112.2	E510 E511 R512	T508-E510 PolarHBondContact O-N 2.81Å; T508-E511 WeakPolarHBondContact CB-OE2 3.46Å; T508-E511 WeakPolarHBondContact CG2-OE2 3.39Å; T508-E511 PolarHBondContact N-OE2 3.24Å; T508-E511 PolarHBondContact O-N 3.17Å; T508-E511 WeakPolarHBondContact OG1-CB 3.39Å; T508-E511 VanDerWaalsContact OG1-CD 3.28Å; T508-E511 VanDerWaalsContact OG1-CG 3.3Å; T508-E511 WeakPolarHBondContact OG1-CG 3.33Å; T508-E511 PolarHBondContact OG1-N 2.81Å; T508-E511 PolarHBondContact OG1-OE2 3.2Å; T508-R512 PolarHBondContact O-N 3.23Å
509	E	87.4	Confident	89.6	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-61.9	-30	172.7	-67.8	-62.1	148.1	0	0	112.5	R512 Q513	E509-R512 PolarHBondContact O-N 3.05Å; E509-R512 IonicContact OE1-NE 2.69Å; E509-R512 IonicContact OE2-CZ 2.74Å; E509-R512 VanDerWaalsContact OE2-CZ 3.23Å; E509-R512 IonicContact OE2-NE 2.95Å; E509-R512 PolarHBondContact OE2-NE 3Å; E509-R512 IonicContact OE2-NH2 3.19Å; E509-R512 PolarHBondContact OE2-NH2 3.26Å; E509-Q513 WeakPolarHBondContact O-CB 3.15Å; E509-Q513 PolarHBondContact O-N 2.87Å
510	E	86.1	Confident	89.6	Confident	160 Å²	160	72 Å²	72	75%	0.748	35%	0.348	S	S	*	.	H	α-helix	trans	-67.8	-41.9	175	-64.1	-177.1	-174.2	0	0	111.6	T508 M514	T508-E510 PolarHBondContact O-N 2.81Å; E510-M514 VanDerWaalsContact O-CB 3.3Å; E510-M514 WeakPolarHBondContact O-CB 3.13Å; E510-M514 PolarHBondContact O-N 2.86Å
511	E	85.3	Confident	89.6	Confident	18 Å²	18	68.1 Å²	68.1	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-36.4	174	-72.5	161	134.4	0	0	112.1	N329 F332 M507 T508 M514 L515	N329-E511 VanDerWaalsContact CB-OE1 3.23Å; N329-E511 WeakPolarHBondContact CB-OE1 3.29Å; N329-E511 VanDerWaalsContact ND2-CD 3.32Å; N329-E511 PolarHBondContact ND2-OE1 2.96Å; N329-E511 PolarHBondContact ND2-OE2 2.83Å; F332-E511 HydrophobicContact CD1-CB 4.27Å; F332-E511 HydrophobicContact CD1-CG 4.38Å; F332-E511 HydrophobicContact CE1-CB 4.03Å; M507-E511 HydrophobicContact CE-CB 4.11Å; M507-E511 HydrophobicContact SD-CB 3.93Å; T508-E511 WeakPolarHBondContact CB-OE2 3.46Å; T508-E511 WeakPolarHBondContact CG2-OE2 3.39Å; T508-E511 PolarHBondContact N-OE2 3.24Å; T508-E511 PolarHBondContact O-N 3.17Å; T508-E511 WeakPolarHBondContact OG1-CB 3.39Å; T508-E511 VanDerWaalsContact OG1-CD 3.28Å; T508-E511 VanDerWaalsContact OG1-CG 3.3Å; T508-E511 WeakPolarHBondContact OG1-CG 3.33Å; T508-E511 PolarHBondContact OG1-N 2.81Å; T508-E511 PolarHBondContact OG1-OE2 3.2Å; E511-M514 PolarHBondContact O-N 2.89Å; E511-L515 PolarHBondContact O-N 2.85Å
512	R	88.9	Confident	89.4	Confident	73 Å²	73	71.2 Å²	71.2	28%	0.275	35%	0.345	S	S	.	.	H	α-helix	trans	-65.2	-47.6	175.1	-168.6	-176.8	63.5	68.5	6.9	111.1	M507 T508 E509 M514 L515 E516	M507-R512 HydrophobicContact CE-CB 4.37Å; T508-R512 PolarHBondContact O-N 3.23Å; E509-R512 PolarHBondContact O-N 3.05Å; E509-R512 IonicContact OE1-NE 2.69Å; E509-R512 IonicContact OE2-CZ 2.74Å; E509-R512 VanDerWaalsContact OE2-CZ 3.23Å; E509-R512 IonicContact OE2-NE 2.95Å; E509-R512 PolarHBondContact OE2-NE 3Å; E509-R512 IonicContact OE2-NH2 3.19Å; E509-R512 PolarHBondContact OE2-NH2 3.26Å; R512-M514 VanDerWaalsContact C-N 3.34Å; R512-M514 PolarHBondContact O-N 2.8Å; R512-L515 PolarHBondContact O-N 3.22Å; R512-E516 IonicContact CZ-OE1 2.7Å; R512-E516 IonicContact NH1-OE1 2.68Å; R512-E516 PolarHBondContact NH1-OE1 2.84Å; R512-E516 IonicContact NH1-OE2 3.06Å; R512-E516 PolarHBondContact NH1-OE2 2.81Å; R512-E516 PolarHBondContact O-N 2.82Å
513	Q	90.6	Very high	89.3	Confident	87 Å²	87	70.8 Å²	70.8	41%	0.407	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-41.7	175.1	-168.5	64.3	60.9	0	0	111.3	E509 L515 E516 D517	E509-Q513 WeakPolarHBondContact O-CB 3.15Å; E509-Q513 PolarHBondContact O-N 2.87Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; Q513-L515 PolarHBondContact O-N 2.87Å; Q513-E516 PolarHBondContact O-N 2.82Å; Q513-D517 PolarHBondContact NE2-OD1 2.89Å; Q513-D517 WeakPolarHBondContact O-CB 3.19Å; Q513-D517 VanDerWaalsContact O-CG 3.22Å; Q513-D517 PolarHBondContact O-N 3.11Å
514	M	87.3	Confident	89.1	Confident	71 Å²	71	67 Å²	67	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-37.4	176.5	-171	-172	-53.7	0	0	112.6	C336 E510 E511 R512 A518	C336-M514 HydrophobicContact CB-CG 4.4Å; C336-M514 HydrophobicContact CB-SD 3.89Å; E510-M514 VanDerWaalsContact O-CB 3.3Å; E510-M514 WeakPolarHBondContact O-CB 3.13Å; E510-M514 PolarHBondContact O-N 2.86Å; E511-M514 PolarHBondContact O-N 2.89Å; R512-M514 VanDerWaalsContact C-N 3.34Å; R512-M514 PolarHBondContact O-N 2.8Å; M514-A518 WeakPolarHBondContact O-CB 3.36Å; M514-A518 PolarHBondContact O-N 3.24Å
515	L	91.3	Very high	88.8	Confident	14 Å²	14	70.5 Å²	70.5	7%	0.073	37%	0.372	C	S	.	.	H	α-helix	trans	-68.4	-47.1	176.6	-175.9	63.8	0	0	0	111.9	F332 L494 M507 E511 R512 Q513 A518 F519	F332-L515 HydrophobicContact CE2-CD1 4.44Å; F332-L515 HydrophobicContact CZ-CB 4.17Å; F332-L515 HydrophobicContact CZ-CD1 4Å; F332-L515 HydrophobicContact CZ-CD2 4.1Å; F332-L515 HydrophobicContact CZ-CG 4.31Å; L494-L515 HydrophobicContact CD2-CD1 3.62Å; L494-L515 HydrophobicContact CG-CD1 3.67Å; M507-L515 HydrophobicContact CE-CD2 4.31Å; E511-L515 PolarHBondContact O-N 2.85Å; R512-L515 PolarHBondContact O-N 3.22Å; Q513-L515 VanDerWaalsContact C-N 3.29Å; Q513-L515 PolarHBondContact O-N 2.87Å; L515-A518 PolarHBondContact O-N 2.93Å; L515-F519 HydrophobicContact CD1-CD2 4.12Å; L515-F519 HydrophobicContact CD1-CE1 4.09Å; L515-F519 HydrophobicContact CD1-CE2 3.47Å; L515-F519 VanDerWaalsContact CD1-CE2 3.47Å; L515-F519 HydrophobicContact CD1-CZ 3.45Å; L515-F519 VanDerWaalsContact CD1-CZ 3.45Å; L515-F519 HydrophobicContact CD2-CE2 4.05Å; L515-F519 HydrophobicContact CG-CD2 3.99Å; L515-F519 HydrophobicContact CG-CE2 3.57Å; L515-F519 HydrophobicContact CG-CZ 4.1Å; L515-F519 WeakPolarHBondContact O-CD2 3.21Å; L515-F519 WeakPolarHBondContact O-CG 3.43Å; L515-F519 PolarHBondContact O-N 3.46Å
516	E	91.9	Very high	88.7	Confident	92 Å²	92	67.4 Å²	67.4	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-45.8	177.8	-72.5	172.4	-166.3	0	0	111.6	R512 Q513 A518 F519 S520	R512-E516 IonicContact CZ-OE1 2.7Å; R512-E516 IonicContact NH1-OE1 2.68Å; R512-E516 PolarHBondContact NH1-OE1 2.84Å; R512-E516 IonicContact NH1-OE2 3.06Å; R512-E516 PolarHBondContact NH1-OE2 2.81Å; R512-E516 PolarHBondContact O-N 2.82Å; Q513-E516 PolarHBondContact O-N 2.82Å; E516-A518 PolarHBondContact O-N 2.8Å; E516-F519 PolarHBondContact O-N 2.92Å; E516-S520 PolarHBondContact O-N 3.36Å
517	D	91.6	Very high	88.8	Confident	30 Å²	30	65.2 Å²	65.2	16%	0.16	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-46.5	174.8	-81	9.2	0	0	0	111.6	Q513 S520 L532 L535	Q513-D517 PolarHBondContact NE2-OD1 2.89Å; Q513-D517 WeakPolarHBondContact O-CB 3.19Å; Q513-D517 VanDerWaalsContact O-CG 3.22Å; Q513-D517 PolarHBondContact O-N 3.11Å; D517-S520 WeakPolarHBondContact O-CB 3.42Å; D517-S520 PolarHBondContact O-N 2.97Å; D517-S520 PolarHBondContact O-OG 3.05Å; D517-L532 HydrophobicContact CB-CD1 3.83Å; D517-L535 HydrophobicContact CB-CD1 3.98Å
518	A	89.6	Confident	88.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-42.5	179.2	0	0	0	0	0	112.2	F339 I340 M514 L515 E516 S520 L521	F339-A518 HydrophobicContact CD1-CB 4.07Å; F339-A518 HydrophobicContact CE1-CB 4.3Å; I340-A518 HydrophobicContact CD1-CB 4.07Å; I340-A518 HydrophobicContact CG1-CB 3.89Å; M514-A518 WeakPolarHBondContact O-CB 3.36Å; M514-A518 PolarHBondContact O-N 3.24Å; L515-A518 PolarHBondContact O-N 2.93Å; E516-A518 PolarHBondContact O-N 2.8Å; A518-S520 VanDerWaalsContact C-N 3.29Å; A518-S520 PolarHBondContact O-N 2.77Å; A518-L521 WeakPolarHBondContact O-CB 3.36Å; A518-L521 PolarHBondContact O-N 3.38Å
519	F	92.5	Very high	89	Confident	65 Å²	65	70.6 Å²	70.6	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-31.2	175.4	-71.5	-28.4	0	0	0	112.8	F339 G491 L494 L515 E516 L521 I522	F339-F519 HydrophobicContact CD1-CD1 4.44Å; F339-F519 AromaticContact CE1-CD1 3.49Å; F339-F519 HydrophobicContact CE1-CD1 3.49Å; F339-F519 VanDerWaalsContact CE1-CD1 3.49Å; F339-F519 AromaticContact CE1-CE1 3.9Å; F339-F519 HydrophobicContact CE1-CE1 3.9Å; F339-F519 HydrophobicContact CE2-CD1 4.5Å; F339-F519 HydrophobicContact CE2-CE1 4.36Å; F339-F519 AromaticContact CZ-CD1 3.5Å; F339-F519 HydrophobicContact CZ-CD1 3.5Å; F339-F519 VanDerWaalsContact CZ-CD1 3.5Å; F339-F519 AromaticContact CZ-CE1 3.75Å; F339-F519 HydrophobicContact CZ-CE1 3.75Å; G491-F519 WeakPolarHBondContact O-CZ 3.32Å; L494-F519 HydrophobicContact CD2-CE1 4.13Å; L494-F519 HydrophobicContact CD2-CZ 4.36Å; L515-F519 HydrophobicContact CD1-CD2 4.12Å; L515-F519 HydrophobicContact CD1-CE1 4.09Å; L515-F519 HydrophobicContact CD1-CE2 3.47Å; L515-F519 VanDerWaalsContact CD1-CE2 3.47Å; L515-F519 HydrophobicContact CD1-CZ 3.45Å; L515-F519 VanDerWaalsContact CD1-CZ 3.45Å; L515-F519 HydrophobicContact CD2-CE2 4.05Å; L515-F519 HydrophobicContact CG-CD2 3.99Å; L515-F519 HydrophobicContact CG-CE2 3.57Å; L515-F519 HydrophobicContact CG-CZ 4.1Å; L515-F519 WeakPolarHBondContact O-CD2 3.21Å; L515-F519 WeakPolarHBondContact O-CG 3.43Å; L515-F519 PolarHBondContact O-N 3.46Å; E516-F519 PolarHBondContact O-N 2.92Å; F519-L521 PolarHBondContact O-N 3.13Å; F519-L521 VanDerWaalsContact O-N 3.16Å; F519-I522 PolarHBondContact O-N 3.3Å
520	S	92	Very high	89.2	Confident	36 Å²	36	64.9 Å²	64.9	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-57.8	-29.4	176.7	85.2	0	0	0	0	113.4	E516 D517 A518 I522 A523 Y524 L532	E516-S520 PolarHBondContact O-N 3.36Å; D517-S520 WeakPolarHBondContact O-CB 3.42Å; D517-S520 PolarHBondContact O-N 2.97Å; D517-S520 PolarHBondContact O-OG 3.05Å; A518-S520 VanDerWaalsContact C-N 3.29Å; A518-S520 PolarHBondContact O-N 2.77Å; S520-I522 PolarHBondContact O-N 2.84Å; S520-A523 WeakPolarHBondContact O-CB 3.22Å; S520-A523 PolarHBondContact O-N 2.99Å; S520-Y524 WeakPolarHBondContact O-CD2 3.49Å; S520-L532 WeakPolarHBondContact OG-CD1 3.39Å
521	L	90.2	Very high	89.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.2	-177.5	-61.8	174.1	0	0	0	112.6	I340 I343 A518 F519 A523 Y524 L532 L535 L536	I340-L521 HydrophobicContact CG1-CD1 4.37Å; I340-L521 HydrophobicContact CG2-CD1 4.42Å; I343-L521 HydrophobicContact CD1-CB 4.19Å; I343-L521 HydrophobicContact CG2-CB 4.23Å; A518-L521 WeakPolarHBondContact O-CB 3.36Å; A518-L521 PolarHBondContact O-N 3.38Å; F519-L521 PolarHBondContact O-N 3.13Å; F519-L521 VanDerWaalsContact O-N 3.16Å; L521-A523 VanDerWaalsContact C-N 3.29Å; L521-A523 PolarHBondContact O-N 3.08Å; L521-Y524 PolarHBondContact O-N 3.34Å; L521-L532 HydrophobicContact CD2-CB 4.27Å; L521-L535 HydrophobicContact CD1-CB 4.32Å; L521-L535 HydrophobicContact CD1-CD1 4.24Å; L521-L536 HydrophobicContact CD1-CD2 4.26Å
522	I	88.1	Confident	89.7	Confident	70 Å²	70	62.7 Å²	62.7	36%	0.359	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-72.2	-21.7	176.9	-65.3	-169.7	0	0	0	112.2	F339 I343 I487 L488 F519 S520 Y524	F339-I522 HydrophobicContact CE1-CD1 4.41Å; F339-I522 HydrophobicContact CE2-CD1 3.99Å; F339-I522 HydrophobicContact CZ-CD1 3.46Å; F339-I522 VanDerWaalsContact CZ-CD1 3.46Å; F339-I522 HydrophobicContact CZ-CG1 4.21Å; I343-I522 HydrophobicContact CD1-CD1 4.13Å; I343-I522 HydrophobicContact CD1-CG1 3.66Å; I343-I522 HydrophobicContact CG1-CG1 4.25Å; I487-I522 HydrophobicContact CG2-CD1 3.64Å; L488-I522 HydrophobicContact CD2-CD1 4.19Å; L488-I522 HydrophobicContact CD2-CG2 4.33Å; F519-I522 PolarHBondContact O-N 3.3Å; S520-I522 PolarHBondContact O-N 2.84Å; I522-Y524 PolarHBondContact O-N 2.76Å; I522-Y524 VanDerWaalsContact O-N 3.17Å
523	A	87.5	Confident	89.7	Confident	86 Å²	86	59.5 Å²	59.5	71%	0.711	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.6	-9.1	178	0	0	0	0	0	113.6	S520 L521	S520-A523 WeakPolarHBondContact O-CB 3.22Å; S520-A523 PolarHBondContact O-N 2.99Å; L521-A523 VanDerWaalsContact C-N 3.29Å; L521-A523 PolarHBondContact O-N 3.08Å
524	Y	87.9	Confident	89.6	Confident	91 Å²	91	60.4 Å²	60.4	36%	0.357	33%	0.331	S	S	.	.	S	Bend	trans	-113.2	125.1	-177.2	-63	-96.8	0	0	0	111.1	S520 L521 I522 N526 P531	S520-Y524 WeakPolarHBondContact O-CD2 3.49Å; L521-Y524 PolarHBondContact O-N 3.34Å; I522-Y524 PolarHBondContact O-N 2.76Å; I522-Y524 VanDerWaalsContact O-N 3.17Å; Y524-N526 WeakPolarHBondContact CB-O 3.46Å; Y524-N526 PolarHBondContact O-N 2.88Å; Y524-P531 VanDerWaalsContact OH-CD 3.22Å; Y524-P531 WeakPolarHBondContact OH-CD 3.4Å
525	S	84.8	Confident	89.8	Confident	142 Å²	142	57.8 Å²	57.8	99%	0.993	32%	0.318	S	S	*	.	S	Bend	trans	-59.8	-19.5	175.9	-45.3	0	0	0	0	113.7
526	N	86.3	Confident	89.7	Confident	84 Å²	84	57.1 Å²	57.1	45%	0.449	32%	0.315	S	S	.	.	S	Bend	trans	-126	108.8	162.6	174.1	7.3	0	0	0	108.3	Y524 W528 S529	Y524-N526 WeakPolarHBondContact CB-O 3.46Å; Y524-N526 PolarHBondContact O-N 2.88Å; N526-W528 PolarHBondContact O-N 2.96Å; N526-W528 VanDerWaalsContact O-N 3.1Å; N526-W528 WeakPolarHBondContact OD1-CB 3.33Å; N526-W528 PolarHBondContact OD1-N 2.83Å; N526-W528 VanDerWaalsContact OD1-N 3.1Å; N526-S529 WeakPolarHBondContact O-CB 3.37Å; N526-S529 PolarHBondContact O-N 3.22Å; N526-S529 PolarHBondContact O-OG 3Å
527	P	89.4	Confident	89.6	Confident	27 Å²	27	54.7 Å²	54.7	18%	0.175	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-53.4	-31.4	179.8	-30.4	37.4	0	0	0	114.8	I343 S529 S530 L536	I343-P527 HydrophobicContact CG2-CB 3.68Å; I343-P527 HydrophobicContact CG2-CG 3.47Å; I343-P527 VanDerWaalsContact CG2-CG 3.47Å; P527-S529 PolarHBondContact O-N 2.61Å; P527-S530 VanDerWaalsContact O-CB 3.26Å; P527-S530 WeakPolarHBondContact O-CB 3.27Å; P527-S530 PolarHBondContact O-N 2.95Å; P527-S530 VanDerWaalsContact O-N 3.16Å; P527-L536 HydrophobicContact CB-CD1 3.64Å; P527-L536 HydrophobicContact CB-CD2 4.5Å
528	W	90.4	Very high	89.4	Confident	135 Å²	135	56.9 Å²	56.9	51%	0.511	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-71.1	-12.2	176.8	-70	93.5	0	0	0	113.9	N344 N526 L536	N344-W528 WeakPolarHBondContact OD1-CZ2 3.2Å; N344-W528 PolarHBondContact OD1-NE1 3.3Å; N526-W528 PolarHBondContact O-N 2.96Å; N526-W528 VanDerWaalsContact O-N 3.1Å; N526-W528 WeakPolarHBondContact OD1-CB 3.33Å; N526-W528 PolarHBondContact OD1-N 2.83Å; N526-W528 VanDerWaalsContact OD1-N 3.1Å; W528-L536 HydrophobicContact CB-CD1 4.49Å; W528-L536 HydrophobicContact CD2-CB 4.14Å; W528-L536 HydrophobicContact CD2-CD1 3.73Å; W528-L536 HydrophobicContact CE3-CB 4.25Å; W528-L536 HydrophobicContact CE3-CD1 4.29Å; W528-L536 HydrophobicContact CG-CD1 3.8Å; W528-L536 HydrophobicContact CH2-CB 3.6Å; W528-L536 HydrophobicContact CZ2-CB 3.43Å; W528-L536 VanDerWaalsContact CZ2-CB 3.43Å; W528-L536 HydrophobicContact CZ2-CD1 4.42Å; W528-L536 HydrophobicContact CZ3-CB 4.01Å
529	S	89.8	Confident	89.2	Confident	72 Å²	72	60 Å²	60	50%	0.503	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-87.7	-5.9	172.6	67.6	0	0	0	0	113.7	N526 P527	N526-S529 WeakPolarHBondContact O-CB 3.37Å; N526-S529 PolarHBondContact O-N 3.22Å; N526-S529 PolarHBondContact O-OG 3Å; P527-S529 PolarHBondContact O-N 2.61Å
530	S	92.4	Very high	89.1	Confident	10 Å²	10	62.6 Å²	62.6	7%	0.07	35%	0.353	C	S	.	.	S	Bend	trans	-65.6	145	171.5	178.8	0	0	0	0	111	P527 L532 G533	P527-S530 VanDerWaalsContact O-CB 3.26Å; P527-S530 WeakPolarHBondContact O-CB 3.27Å; P527-S530 PolarHBondContact O-N 2.95Å; P527-S530 VanDerWaalsContact O-N 3.16Å; S530-L532 PolarHBondContact O-N 2.81Å; S530-L532 PolarHBondContact OG-N 2.75Å; S530-L532 VanDerWaalsContact OG-N 3.07Å; S530-G533 PolarHBondContact O-N 2.96Å
531	P	90.3	Very high	89	Confident	96 Å²	96	62 Å²	62	62%	0.623	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-20.8	164.3	-25.2	35	0	0	0	113.8	Y524 W534	Y524-P531 VanDerWaalsContact OH-CD 3.22Å; Y524-P531 WeakPolarHBondContact OH-CD 3.4Å; P531-W534 PolarHBondContact O-NE1 2.73Å
532	L	91.8	Very high	89	Confident	36 Å²	36	67.2 Å²	67.2	19%	0.188	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	13.6	176.9	-60.1	177.6	0	0	0	113.3	D517 S520 L521 S530 W534 L535	D517-L532 HydrophobicContact CB-CD1 3.83Å; S520-L532 WeakPolarHBondContact OG-CD1 3.39Å; L521-L532 HydrophobicContact CD2-CB 4.27Å; S530-L532 PolarHBondContact O-N 2.81Å; S530-L532 PolarHBondContact OG-N 2.75Å; S530-L532 VanDerWaalsContact OG-N 3.07Å; L532-W534 HydrophobicContact CD2-CH2 4.48Å; L532-W534 HydrophobicContact CD2-CZ2 3.5Å; L532-W534 VanDerWaalsContact CD2-CZ2 3.5Å; L532-W534 PolarHBondContact O-N 2.98Å; L532-L535 HydrophobicContact CB-CD1 3.83Å; L532-L535 VanDerWaalsContact O-CB 3.3Å; L532-L535 WeakPolarHBondContact O-CB 3.24Å; L532-L535 WeakPolarHBondContact O-CG 3.43Å; L532-L535 PolarHBondContact O-N 2.65Å
533	G	87.4	Confident	89.1	Confident	6 Å²	6	67.9 Å²	67.9	6%	0.062	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-56.7	-21.6	178.4	0	0	0	0	0	114.2	S530 L535 L536	S530-G533 PolarHBondContact O-N 2.96Å; G533-L535 PolarHBondContact O-N 3.2Å; G533-L535 VanDerWaalsContact O-N 3.15Å; G533-L536 VanDerWaalsContact O-CB 3.32Å; G533-L536 WeakPolarHBondContact O-CB 3.49Å; G533-L536 PolarHBondContact O-N 2.94Å
534	W	90.1	Very high	89.2	Confident	106 Å²	106	64.8 Å²	64.8	40%	0.402	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.3	-14.7	171.4	56.8	-101	0	0	0	114.3	P531 L532 L536 C537 R540	P531-W534 PolarHBondContact O-NE1 2.73Å; L532-W534 HydrophobicContact CD2-CH2 4.48Å; L532-W534 HydrophobicContact CD2-CZ2 3.5Å; L532-W534 VanDerWaalsContact CD2-CZ2 3.5Å; L532-W534 PolarHBondContact O-N 2.98Å; W534-L536 PolarHBondContact O-N 3.28Å; W534-C537 WeakPolarHBondContact O-CB 3.34Å; W534-C537 PolarHBondContact O-N 2.86Å; W534-C537 PolarHBondContact O-SG 3.09Å; W534-R540 VanDerWaalsContact CZ3-CZ 3.42Å; W534-R540 WeakPolarHBondContact O-CG 3.19Å
535	L	90.1	Very high	89.5	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.079	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-64.4	-30.2	169.8	-72.1	166.2	0	0	0	112.2	R337 D517 L521 L532 G533 C537	R337-L535 PolarHBondContact NH1-O 3.13Å; R337-L535 PolarHBondContact NH2-O 2.66Å; D517-L535 HydrophobicContact CB-CD1 3.98Å; L521-L535 HydrophobicContact CD1-CB 4.32Å; L521-L535 HydrophobicContact CD1-CD1 4.24Å; L532-L535 HydrophobicContact CB-CD1 3.83Å; L532-L535 VanDerWaalsContact O-CB 3.3Å; L532-L535 WeakPolarHBondContact O-CB 3.24Å; L532-L535 WeakPolarHBondContact O-CG 3.43Å; L532-L535 PolarHBondContact O-N 2.65Å; G533-L535 PolarHBondContact O-N 3.2Å; G533-L535 VanDerWaalsContact O-N 3.15Å; L535-C537 VanDerWaalsContact C-N 3.25Å; L535-C537 PolarHBondContact O-N 3.22Å
536	L	89.3	Confident	89.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-76.2	-14	-178.3	-57.3	160.9	0	0	0	112.3	I340 I343 N344 L521 P527 W528 G533 W534	I340-L536 HydrophobicContact CG2-CD2 4.02Å; I343-L536 HydrophobicContact CG2-CD2 4.32Å; N344-L536 HydrophobicContact CB-CD2 3.8Å; N344-L536 PolarHBondContact ND2-O 3.39Å; L521-L536 HydrophobicContact CD1-CD2 4.26Å; P527-L536 HydrophobicContact CB-CD1 3.64Å; P527-L536 HydrophobicContact CB-CD2 4.5Å; W528-L536 HydrophobicContact CB-CD1 4.49Å; W528-L536 HydrophobicContact CD2-CB 4.14Å; W528-L536 HydrophobicContact CD2-CD1 3.73Å; W528-L536 HydrophobicContact CE3-CB 4.25Å; W528-L536 HydrophobicContact CE3-CD1 4.29Å; W528-L536 HydrophobicContact CG-CD1 3.8Å; W528-L536 HydrophobicContact CH2-CB 3.6Å; W528-L536 HydrophobicContact CZ2-CB 3.43Å; W528-L536 VanDerWaalsContact CZ2-CB 3.43Å; W528-L536 HydrophobicContact CZ2-CD1 4.42Å; W528-L536 HydrophobicContact CZ3-CB 4.01Å; G533-L536 VanDerWaalsContact O-CB 3.32Å; G533-L536 WeakPolarHBondContact O-CB 3.49Å; G533-L536 PolarHBondContact O-N 2.94Å; W534-L536 PolarHBondContact O-N 3.28Å
537	C	89.6	Confident	90.1	Very high	41 Å²	41	55.8 Å²	55.8	28%	0.277	31%	0.305	S	S	.	.	S	Bend	trans	-58.2	133.9	178	-67.9	0	0	0	0	111.8	R337 W534 L535 S539 R540	R337-C537 PolarHBondContact NH2-O 2.86Å; W534-C537 WeakPolarHBondContact O-CB 3.34Å; W534-C537 PolarHBondContact O-N 2.86Å; W534-C537 PolarHBondContact O-SG 3.09Å; L535-C537 VanDerWaalsContact C-N 3.25Å; L535-C537 PolarHBondContact O-N 3.22Å; C537-S539 PolarHBondContact O-N 2.92Å; C537-R540 HydrophobicContact CB-CG 4.28Å; C537-R540 WeakPolarHBondContact O-CB 3.49Å; C537-R540 PolarHBondContact O-N 2.97Å; C537-R540 VanDerWaalsContact O-N 3.08Å
538	P	87.3	Confident	90.4	Very high	76 Å²	76	54.6 Å²	54.6	49%	0.494	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.4	179.7	-29.3	36.5	0	0	0	114.8	R540 R541	P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.11Å; P538-R541 WeakPolarHBondContact O-CB 3.24Å; P538-R541 WeakPolarHBondContact O-CD 3.37Å; P538-R541 WeakPolarHBondContact O-CG 3.28Å; P538-R541 PolarHBondContact O-N 2.94Å
539	S	87.3	Confident	90.7	Very high	65 Å²	65	48.3 Å²	48.3	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	178	54.2	0	0	0	0	114	C537 R541 E542	C537-S539 PolarHBondContact O-N 2.92Å; S539-R541 PolarHBondContact O-N 2.85Å; S539-E542 WeakPolarHBondContact CA-OE1 3.22Å; S539-E542 WeakPolarHBondContact O-CB 3.42Å; S539-E542 PolarHBondContact O-N 3.31Å
540	R	88.9	Confident	90.9	Very high	120 Å²	120	45.3 Å²	45.3	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-70.6	-9.8	173.8	-50.5	-51.8	-69.4	-136.6	1.9	112.9	R337 W534 C537 P538	R337-R540 VanDerWaalsContact NH1-CB 3.33Å; W534-R540 VanDerWaalsContact CZ3-CZ 3.42Å; W534-R540 WeakPolarHBondContact O-CG 3.19Å; C537-R540 HydrophobicContact CB-CG 4.28Å; C537-R540 WeakPolarHBondContact O-CB 3.49Å; C537-R540 PolarHBondContact O-N 2.97Å; C537-R540 VanDerWaalsContact O-N 3.08Å; P538-R540 PolarHBondContact O-N 2.84Å; P538-R540 VanDerWaalsContact O-N 3.11Å
541	R	91.3	Very high	91	Very high	24 Å²	24	45.1 Å²	45.1	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-74.9	-30.6	172.8	-60.5	164.8	177.5	173.6	-0.2	112.3	I304 L305 E341 P538 S539 V544 S545	I304-R541 HydrophobicContact CG2-CB 4.27Å; I304-R541 WeakPolarHBondContact O-CD 3.2Å; L305-R541 HydrophobicContact CD2-CB 4.31Å; L305-R541 WeakPolarHBondContact O-CD 3.34Å; L305-R541 PolarHBondContact O-NH1 2.89Å; E341-R541 WeakPolarHBondContact OE1-CG 3.48Å; E341-R541 IonicContact OE1-CZ 2.68Å; E341-R541 IonicContact OE1-NE 2.76Å; E341-R541 PolarHBondContact OE1-NE 3.05Å; E341-R541 IonicContact OE1-NH2 3.59Å; E341-R541 PolarHBondContact OE1-NH2 3.18Å; E341-R541 IonicContact OE2-CZ 2.65Å; E341-R541 IonicContact OE2-NE 3.55Å; E341-R541 IonicContact OE2-NH2 2.9Å; E341-R541 PolarHBondContact OE2-NH2 3.31Å; P538-R541 WeakPolarHBondContact O-CB 3.24Å; P538-R541 WeakPolarHBondContact O-CD 3.37Å; P538-R541 WeakPolarHBondContact O-CG 3.28Å; P538-R541 PolarHBondContact O-N 2.94Å; S539-R541 PolarHBondContact O-N 2.85Å; R541-V544 PolarHBondContact O-N 2.65Å; R541-S545 WeakPolarHBondContact O-CB 3.23Å; R541-S545 PolarHBondContact O-N 2.86Å
542	E	90.2	Very high	91.2	Very high	110 Å²	110	40.7 Å²	40.7	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-50.5	-174.2	-66.9	163.1	-145.6	0	0	111.8	L305 S539 V544 S545 T546	L305-E542 HydrophobicContact CD2-CG 4.05Å; S539-E542 WeakPolarHBondContact CA-OE1 3.22Å; S539-E542 WeakPolarHBondContact O-CB 3.42Å; S539-E542 PolarHBondContact O-N 3.31Å; E542-V544 VanDerWaalsContact C-N 3.29Å; E542-V544 PolarHBondContact O-N 2.93Å; E542-S545 WeakPolarHBondContact O-CA 3.41Å; E542-S545 WeakPolarHBondContact O-CB 3.48Å; E542-S545 PolarHBondContact O-N 2.76Å; E542-T546 PolarHBondContact O-N 2.95Å; E542-T546 PolarHBondContact O-OG1 3Å
543	S	89.2	Confident	91.3	Very high	83 Å²	83	39.1 Å²	39.1	58%	0.58	21%	0.214	S	C	*	.	H	α-helix	trans	-54.4	-43	178.2	178.2	0	0	0	0	112.9	T547	S543-T547 WeakPolarHBondContact O-CB 3.35Å; S543-T547 PolarHBondContact O-N 2.85Å; S543-T547 PolarHBondContact O-OG1 3.37Å
544	V	90.6	Very high	91.5	Very high	21 Å²	21	42.9 Å²	42.9	13%	0.127	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-40	178.2	-176.9	0	0	0	0	111	M309 L334 R337 R541 E542 T547 L548	M309-V544 HydrophobicContact CE-CG1 4.3Å; L334-V544 HydrophobicContact CD2-CG1 3.53Å; L334-V544 HydrophobicContact CG-CG1 4.24Å; R337-V544 HydrophobicContact CB-CG1 4.44Å; R337-V544 HydrophobicContact CB-CG2 4.27Å; R337-V544 HydrophobicContact CG-CG2 4.33Å; R541-V544 PolarHBondContact O-N 2.65Å; E542-V544 VanDerWaalsContact C-N 3.29Å; E542-V544 PolarHBondContact O-N 2.93Å; V544-T547 PolarHBondContact O-N 3.42Å; V544-L548 PolarHBondContact O-N 2.94Å
545	S	93.9	Very high	91.7	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-48.4	175.6	-170.3	0	0	0	0	112	R541 E542 L548 N549	R541-S545 WeakPolarHBondContact O-CB 3.23Å; R541-S545 PolarHBondContact O-N 2.86Å; E542-S545 WeakPolarHBondContact O-CA 3.41Å; E542-S545 WeakPolarHBondContact O-CB 3.48Å; E542-S545 PolarHBondContact O-N 2.76Å; S545-L548 PolarHBondContact O-N 3.11Å; S545-N549 WeakPolarHBondContact O-CB 3.39Å; S545-N549 PolarHBondContact O-N 2.86Å
546	T	91.8	Very high	91.7	Very high	54 Å²	54	42.9 Å²	42.9	33%	0.331	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-46.1	177.1	-58.5	0	0	0	0	110.8	E542 L548 N549 S550	E542-T546 PolarHBondContact O-N 2.95Å; E542-T546 PolarHBondContact O-OG1 3Å; T546-L548 VanDerWaalsContact C-N 3.34Å; T546-L548 PolarHBondContact O-N 3.44Å; T546-N549 PolarHBondContact O-N 3.16Å; T546-S550 WeakPolarHBondContact O-CB 3.36Å; T546-S550 PolarHBondContact O-N 3.08Å; T546-S550 PolarHBondContact O-OG 3.2Å
547	T	92.5	Very high	91.8	Very high	66 Å²	66	50.3 Å²	50.3	41%	0.405	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-40.2	180	-53.6	0	0	0	0	112.2	L330 S543 V544 A551	L330-T547 HydrophobicContact CD1-CG2 4.05Å; S543-T547 WeakPolarHBondContact O-CB 3.35Å; S543-T547 PolarHBondContact O-N 2.85Å; S543-T547 PolarHBondContact O-OG1 3.37Å; V544-T547 PolarHBondContact O-N 3.42Å; T547-A551 PolarHBondContact O-N 2.79Å; T547-A551 VanDerWaalsContact O-N 3.15Å
548	L	95.1	Very high	91.9	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-44.4	173.8	176.9	59.7	0	0	0	112.2	I300 I304 T316 L323 L324 L330 L334 V544 S545 T546 S550 A551 I552	I300-L548 HydrophobicContact CG2-CD2 3.67Å; I304-L548 HydrophobicContact CD1-CB 4.46Å; I304-L548 HydrophobicContact CD1-CD2 3.67Å; T316-L548 HydrophobicContact CG2-CD1 3.9Å; T316-L548 HydrophobicContact CG2-CD2 4.38Å; L323-L548 HydrophobicContact CD2-CD1 3.99Å; L324-L548 HydrophobicContact CD2-CD1 4.36Å; L330-L548 HydrophobicContact CD1-CB 4.34Å; L330-L548 HydrophobicContact CD2-CD1 3.89Å; L334-L548 HydrophobicContact CD1-CD1 4.27Å; L334-L548 HydrophobicContact CD1-CD2 4.27Å; L334-L548 HydrophobicContact CD2-CD2 4.2Å; V544-L548 PolarHBondContact O-N 2.94Å; S545-L548 PolarHBondContact O-N 3.11Å; T546-L548 VanDerWaalsContact C-N 3.34Å; T546-L548 PolarHBondContact O-N 3.44Å; L548-S550 VanDerWaalsContact C-N 3.31Å; L548-S550 PolarHBondContact O-N 2.8Å; L548-A551 PolarHBondContact O-N 3.44Å; L548-A551 VanDerWaalsContact O-N 3.08Å; L548-I552 HydrophobicContact CD1-CD1 4.04Å; L548-I552 HydrophobicContact CD1-CG1 4.02Å; L548-I552 HydrophobicContact CD2-CD1 4.39Å; L548-I552 HydrophobicContact CG-CD1 3.84Å; L548-I552 HydrophobicContact CG-CG1 4.29Å; L548-I552 WeakPolarHBondContact O-CG1 3.34Å; L548-I552 PolarHBondContact O-N 2.91Å
549	N	95.3	Very high	91.9	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-42.5	178.3	-178.1	56.9	0	0	0	111.7	H269 R297 I301 S545 T546 A551 I552 L553	H269-N549 PolarHBondContact O-ND2 3.3Å; R297-N549 PolarHBondContact NH1-OD1 2.78Å; I301-N549 HydrophobicContact CD1-CB 4.22Å; I301-N549 HydrophobicContact CG1-CB 4.44Å; S545-N549 WeakPolarHBondContact O-CB 3.39Å; S545-N549 PolarHBondContact O-N 2.86Å; T546-N549 PolarHBondContact O-N 3.16Å; N549-A551 VanDerWaalsContact C-N 3.35Å; N549-A551 PolarHBondContact O-N 3Å; N549-I552 PolarHBondContact O-N 3.11Å; N549-L553 WeakPolarHBondContact O-CB 3.35Å; N549-L553 WeakPolarHBondContact O-CG 3.16Å; N549-L553 PolarHBondContact O-N 2.82Å
550	S	94.2	Very high	92	Very high	9 Å²	9	56.3 Å²	56.3	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-54.9	-45.8	170.3	-74.4	0	0	0	0	112.5	T546 L548 L553 E554 R560	T546-S550 WeakPolarHBondContact O-CB 3.36Å; T546-S550 PolarHBondContact O-N 3.08Å; T546-S550 PolarHBondContact O-OG 3.2Å; L548-S550 VanDerWaalsContact C-N 3.31Å; L548-S550 PolarHBondContact O-N 2.8Å; S550-L553 PolarHBondContact O-N 2.96Å; S550-E554 WeakPolarHBondContact O-CB 3.34Å; S550-E554 PolarHBondContact O-N 3.07Å; S550-R560 WeakPolarHBondContact CB-O 3.2Å; S550-R560 PolarHBondContact OG-O 3.23Å
551	A	94.9	Very high	92	Very high	6 Å²	6	56.6 Å²	56.6	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-71	-32.8	179.3	0	0	0	0	0	113.3	L323 L330 T547 L548 N549 S555	L323-A551 HydrophobicContact CD2-CB 4.4Å; L330-A551 HydrophobicContact CD2-CB 3.39Å; T547-A551 PolarHBondContact O-N 2.79Å; T547-A551 VanDerWaalsContact O-N 3.15Å; L548-A551 PolarHBondContact O-N 3.44Å; L548-A551 VanDerWaalsContact O-N 3.08Å; N549-A551 VanDerWaalsContact C-N 3.35Å; N549-A551 PolarHBondContact O-N 3Å; A551-S555 WeakPolarHBondContact O-CB 3.38Å; A551-S555 PolarHBondContact O-N 2.72Å
552	I	94.8	Very high	92	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-48.7	172.5	-67.4	166.5	0	0	0	109.8	R297 I300 F320 L323 L548 N549 E554 S555 L556	R297-I552 HydrophobicContact CG-CG2 3.88Å; I300-I552 HydrophobicContact CD1-CD1 4.12Å; I300-I552 HydrophobicContact CG2-CD1 4.5Å; F320-I552 HydrophobicContact CD1-CG2 3.94Å; F320-I552 HydrophobicContact CD2-CD1 4.06Å; F320-I552 HydrophobicContact CD2-CG1 3.99Å; F320-I552 HydrophobicContact CD2-CG2 3.94Å; F320-I552 HydrophobicContact CE1-CG2 3.61Å; F320-I552 HydrophobicContact CE2-CD1 3.98Å; F320-I552 HydrophobicContact CE2-CG1 4.2Å; F320-I552 HydrophobicContact CE2-CG2 3.6Å; F320-I552 HydrophobicContact CG-CG1 4.45Å; F320-I552 HydrophobicContact CG-CG2 4.11Å; F320-I552 HydrophobicContact CZ-CG2 3.43Å; F320-I552 VanDerWaalsContact CZ-CG2 3.43Å; L323-I552 HydrophobicContact CD1-CB 4.18Å; L323-I552 HydrophobicContact CD1-CG1 3.59Å; L548-I552 HydrophobicContact CD1-CD1 4.04Å; L548-I552 HydrophobicContact CD1-CG1 4.02Å; L548-I552 HydrophobicContact CD2-CD1 4.39Å; L548-I552 HydrophobicContact CG-CD1 3.84Å; L548-I552 HydrophobicContact CG-CG1 4.29Å; L548-I552 WeakPolarHBondContact O-CG1 3.34Å; L548-I552 PolarHBondContact O-N 2.91Å; N549-I552 PolarHBondContact O-N 3.11Å; I552-E554 PolarHBondContact O-N 2.61Å; I552-S555 PolarHBondContact O-N 2.93Å; I552-S555 PolarHBondContact O-OG 3.01Å; I552-L556 HydrophobicContact CG2-CD1 4.18Å; I552-L556 WeakPolarHBondContact O-CG 3.34Å; I552-L556 PolarHBondContact O-N 3.12Å
553	L	93.3	Very high	92.1	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-43.9	177.4	-73.6	168.9	0	0	0	111.7	H269 N549 S550 S555 L556 N557 F558	H269-L553 HydrophobicContact CB-CD1 4.49Å; H269-L553 VanDerWaalsContact CE1-CD1 3.43Å; H269-L553 WeakPolarHBondContact CE1-CD1 3.27Å; H269-L553 WeakPolarHBondContact NE2-CD1 3.49Å; N549-L553 WeakPolarHBondContact O-CB 3.35Å; N549-L553 WeakPolarHBondContact O-CG 3.16Å; N549-L553 PolarHBondContact O-N 2.82Å; S550-L553 PolarHBondContact O-N 2.96Å; L553-S555 VanDerWaalsContact C-N 3.33Å; L553-S555 PolarHBondContact O-N 3.3Å; L553-L556 CarbonylContact O-C 3.54Å; L553-L556 WeakPolarHBondContact O-CA 3.35Å; L553-L556 PolarHBondContact O-N 2.88Å; L553-N557 PolarHBondContact O-N 3.12Å; L553-F558 HydrophobicContact CB-CB 4Å; L553-F558 HydrophobicContact CD2-CB 3.95Å; L553-F558 HydrophobicContact CD2-CD2 3.73Å; L553-F558 HydrophobicContact CD2-CG 4.17Å; L553-F558 WeakPolarHBondContact O-CB 3Å; L553-F558 PolarHBondContact O-N 3.49Å
554	E	92.9	Very high	92.1	Very high	85 Å²	85	51.2 Å²	51.2	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-57	-42.3	173.1	-176.4	166.7	-128.4	0	0	111.9	S550 I552 L556 N557 R560	S550-E554 WeakPolarHBondContact O-CB 3.34Å; S550-E554 PolarHBondContact O-N 3.07Å; I552-E554 PolarHBondContact O-N 2.61Å; E554-L556 PolarHBondContact O-N 3.02Å; E554-N557 PolarHBondContact O-N 3.21Å; E554-N557 VanDerWaalsContact O-N 3.1Å; E554-R560 IonicContact OE1-CZ 3.03Å; E554-R560 IonicContact OE1-NE 3.23Å; E554-R560 PolarHBondContact OE1-NE 3.22Å; E554-R560 IonicContact OE1-NH2 2.67Å; E554-R560 IonicContact OE2-CZ 2.65Å; E554-R560 VanDerWaalsContact OE2-CZ 3.28Å; E554-R560 IonicContact OE2-NE 2.7Å; E554-R560 PolarHBondContact OE2-NE 2.99Å; E554-R560 IonicContact OE2-NH2 3.81Å; E554-R560 PolarHBondContact OE2-NH2 2.97Å
555	S	92.9	Very high	92.1	Very high	60 Å²	60	52.9 Å²	52.9	42%	0.42	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-21.5	175.4	79.8	0	0	0	0	114.6	A551 I552 L553	A551-S555 WeakPolarHBondContact O-CB 3.38Å; A551-S555 PolarHBondContact O-N 2.72Å; I552-S555 PolarHBondContact O-N 2.93Å; I552-S555 PolarHBondContact O-OG 3.01Å; L553-S555 VanDerWaalsContact C-N 3.33Å; L553-S555 PolarHBondContact O-N 3.3Å
556	L	91.4	Very high	91.9	Very high	61 Å²	61	56.6 Å²	56.6	32%	0.319	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.5	176	-64.8	171.3	0	0	0	112.6	F320 I552 L553 E554 F558	F320-L556 HydrophobicContact CE1-CD1 4.1Å; F320-L556 HydrophobicContact CE1-CD2 4.29Å; F320-L556 HydrophobicContact CE1-CG 4.44Å; I552-L556 HydrophobicContact CG2-CD1 4.18Å; I552-L556 WeakPolarHBondContact O-CG 3.34Å; I552-L556 PolarHBondContact O-N 3.12Å; L553-L556 CarbonylContact O-C 3.54Å; L553-L556 WeakPolarHBondContact O-CA 3.35Å; L553-L556 PolarHBondContact O-N 2.88Å; E554-L556 PolarHBondContact O-N 3.02Å; L556-F558 HydrophobicContact CB-CD2 3.57Å; L556-F558 HydrophobicContact CB-CE2 3.81Å; L556-F558 HydrophobicContact CD1-CD2 4.27Å; L556-F558 HydrophobicContact CD1-CE2 4.24Å
557	N	91.1	Very high	91.8	Very high	155 Å²	155	58.2 Å²	58.2	83%	0.829	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	29.8	-172	-47.3	-89.9	0	0	0	114.4	L553 E554	L553-N557 PolarHBondContact O-N 3.12Å; E554-N557 PolarHBondContact O-N 3.21Å; E554-N557 VanDerWaalsContact O-N 3.1Å
558	F	90.6	Very high	91.6	Very high	72 Å²	72	57.5 Å²	57.5	32%	0.316	28%	0.282	S	S	.	.			trans	-98.1	162.6	168.3	-63	-59.9	0	0	0	111.9	N288 E289 L553 L556	N288-F558 VanDerWaalsContact O-CE1 3.24Å; N288-F558 WeakPolarHBondContact O-CE1 3.43Å; N288-F558 VanDerWaalsContact O-CZ 3.23Å; N288-F558 WeakPolarHBondContact O-CZ 3.33Å; E289-F558 HydrophobicContact CB-CE2 4.24Å; E289-F558 HydrophobicContact CB-CZ 3.94Å; E289-F558 HydrophobicContact CG-CE2 3.84Å; E289-F558 HydrophobicContact CG-CZ 4.01Å; L553-F558 HydrophobicContact CB-CB 4Å; L553-F558 HydrophobicContact CD2-CB 3.95Å; L553-F558 HydrophobicContact CD2-CD2 3.73Å; L553-F558 HydrophobicContact CD2-CG 4.17Å; L553-F558 WeakPolarHBondContact O-CB 3Å; L553-F558 PolarHBondContact O-N 3.49Å; L556-F558 HydrophobicContact CB-CD2 3.57Å; L556-F558 HydrophobicContact CB-CE2 3.81Å; L556-F558 HydrophobicContact CD1-CD2 4.27Å; L556-F558 HydrophobicContact CD1-CE2 4.24Å
559	E	88.3	Confident	91.3	Very high	128 Å²	128	59.6 Å²	59.6	60%	0.598	30%	0.299	S	S	*	.			trans	-63.1	134.4	-179.1	-73	-67.7	178	0	0	113.1	H269 R561	H269-E559 PolarHBondContact CD2-O 3.35Å; H269-E559 PolarHBondContact NE2-O 3.23Å; E559-R561 PolarHBondContact O-N 2.95Å
560	R	89.4	Confident	91	Very high	108 Å²	108	64.6 Å²	64.6	41%	0.408	32%	0.323	S	S	.	.	S	Bend	trans	-63.2	-30.4	-174.8	-162.2	178.6	-139.6	-118.8	-3.7	112.9	H269 S550 E554	H269-R560 PolarHBondContact CE1-O 3.17Å; H269-R560 PolarHBondContact NE2-O 3.25Å; S550-R560 WeakPolarHBondContact CB-O 3.2Å; S550-R560 PolarHBondContact OG-O 3.23Å; E554-R560 IonicContact OE1-CZ 3.03Å; E554-R560 IonicContact OE1-NE 3.23Å; E554-R560 PolarHBondContact OE1-NE 3.22Å; E554-R560 IonicContact OE1-NH2 2.67Å; E554-R560 IonicContact OE2-CZ 2.65Å; E554-R560 VanDerWaalsContact OE2-CZ 3.28Å; E554-R560 IonicContact OE2-NE 2.7Å; E554-R560 PolarHBondContact OE2-NE 2.99Å; E554-R560 IonicContact OE2-NH2 3.81Å; E554-R560 PolarHBondContact OE2-NH2 2.97Å
561	R	89.1	Confident	90.7	Very high	127 Å²	127	66.1 Å²	66.1	48%	0.479	34%	0.335	S	S	.	.	S	Bend	trans	-135	153.1	172.8	-70.2	-175.3	-177.5	-174.1	0.7	110.1	H269 E559 E565 Y566	H269-R561 WeakPolarHBondContact NE2-CA 3.39Å; E559-R561 PolarHBondContact O-N 2.95Å; R561-E565 WeakPolarHBondContact CD-OE2 3.4Å; R561-Y566 HydrophobicContact CB-CD2 4.18Å; R561-Y566 HydrophobicContact CB-CE2 3.62Å; R561-Y566 WeakPolarHBondContact O-CE2 3.3Å
562	P	91.3	Very high	90.3	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	35%	0.345	C	S	.	.			trans	-67.2	144.8	176.8	27.6	-33.1	0	0	0	111	Y266 H269 L564 E565	Y266-P562 HydrophobicContact CD2-CB 4.03Å; Y266-P562 HydrophobicContact CD2-CG 3.51Å; Y266-P562 HydrophobicContact CE2-CG 4.07Å; Y266-P562 HydrophobicContact CG-CG 4.47Å; H269-P562 HydrophobicContact CB-CB 4.04Å; H269-P562 HydrophobicContact CB-CG 4.43Å; P562-L564 PolarHBondContact O-N 2.92Å; P562-E565 WeakPolarHBondContact CD-OE1 3.48Å; P562-E565 HydrophobicContact CG-CB 4.29Å; P562-E565 HydrophobicContact CG-CG 3.88Å; P562-E565 WeakPolarHBondContact CG-OE1 3.42Å; P562-E565 PolarHBondContact O-N 2.96Å
563	P	90.8	Very high	90	Very high	55 Å²	55	71.8 Å²	71.8	36%	0.357	37%	0.365	S	S	.	.	H	α-helix	trans	-56.5	-26.2	-178.5	-28.3	36	0	0	0	114.8	L262 Y566 L567	L262-P563 HydrophobicContact CD2-CB 3.85Å; P563-Y566 PolarHBondContact O-N 2.85Å; P563-L567 WeakPolarHBondContact O-CG 3.33Å; P563-L567 PolarHBondContact O-N 2.9Å
564	L	90.6	Very high	89.7	Confident	47 Å²	47	76.7 Å²	76.7	25%	0.246	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-43.8	174.8	-177	58.8	0	0	0	112.3	L262 Y266 P562 L567 V568	L262-L564 HydrophobicContact CB-CB 4.42Å; L262-L564 HydrophobicContact CB-CD1 4.39Å; L262-L564 HydrophobicContact CD1-CD1 4.48Å; Y266-L564 HydrophobicContact CD2-CD2 4.31Å; Y266-L564 HydrophobicContact CG-CD2 4.24Å; P562-L564 PolarHBondContact O-N 2.92Å; L564-L567 PolarHBondContact O-N 3.21Å; L564-V568 WeakPolarHBondContact O-CG2 3.29Å; L564-V568 PolarHBondContact O-N 2.97Å; L564-V568 VanDerWaalsContact O-N 3.08Å
565	E	89.8	Confident	89.2	Confident	56 Å²	56	74.5 Å²	74.5	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.9	-77.6	173.4	-143.8	0	0	111.9	Y266 R561 P562 L567 V568 A569	Y266-E565 HydrophobicContact CE2-CG 4.44Å; R561-E565 WeakPolarHBondContact CD-OE2 3.4Å; P562-E565 WeakPolarHBondContact CD-OE1 3.48Å; P562-E565 HydrophobicContact CG-CB 4.29Å; P562-E565 HydrophobicContact CG-CG 3.88Å; P562-E565 WeakPolarHBondContact CG-OE1 3.42Å; P562-E565 PolarHBondContact O-N 2.96Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 2.87Å; E565-V568 PolarHBondContact O-N 2.86Å; E565-A569 VanDerWaalsContact O-CB 3.3Å; E565-A569 WeakPolarHBondContact O-CB 3.18Å; E565-A569 PolarHBondContact O-N 3.42Å
566	Y	90.4	Very high	88.7	Confident	86 Å²	86	77.2 Å²	77.2	34%	0.337	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-42.3	174.6	-77.5	-69.9	0	0	0	111.7	R561 P563 A569 H570	R561-Y566 HydrophobicContact CB-CD2 4.18Å; R561-Y566 HydrophobicContact CB-CE2 3.62Å; R561-Y566 WeakPolarHBondContact O-CE2 3.3Å; P563-Y566 PolarHBondContact O-N 2.85Å; Y566-A569 PolarHBondContact O-N 3.08Å; Y566-H570 VanDerWaalsContact O-CB 3.23Å; Y566-H570 WeakPolarHBondContact O-CB 3.31Å; Y566-H570 PolarHBondContact O-CD2 3.32Å; Y566-H570 VanDerWaalsContact O-CD2 3.32Å; Y566-H570 PolarHBondContact O-N 2.79Å
567	L	89.1	Confident	88.3	Confident	88 Å²	88	76.9 Å²	76.9	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177.3	-71.9	169.3	0	0	0	112.2	L262 P563 L564 E565 A571	L262-L567 HydrophobicContact CD1-CD1 3.58Å; L262-L567 HydrophobicContact CD2-CD1 3.77Å; L262-L567 HydrophobicContact CG-CD1 4.35Å; P563-L567 WeakPolarHBondContact O-CG 3.33Å; P563-L567 PolarHBondContact O-N 2.9Å; L564-L567 PolarHBondContact O-N 3.21Å; E565-L567 VanDerWaalsContact C-N 3.34Å; E565-L567 PolarHBondContact O-N 2.87Å; L567-A571 VanDerWaalsContact O-CB 3.26Å; L567-A571 WeakPolarHBondContact O-CB 3.19Å; L567-A571 PolarHBondContact O-N 2.85Å
568	V	87.9	Confident	87.8	Confident	51 Å²	51	72.9 Å²	72.9	31%	0.309	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-43.4	177.4	175.4	0	0	0	0	111.4	L564 E565 S572 I591 F595	L564-V568 WeakPolarHBondContact O-CG2 3.29Å; L564-V568 PolarHBondContact O-N 2.97Å; L564-V568 VanDerWaalsContact O-N 3.08Å; E565-V568 PolarHBondContact O-N 2.86Å; V568-S572 WeakPolarHBondContact O-CB 3.47Å; V568-S572 PolarHBondContact O-N 3.11Å; V568-S572 PolarHBondContact O-OG 2.56Å; V568-I591 HydrophobicContact CB-CD1 4.42Å; V568-I591 HydrophobicContact CG1-CD1 3.78Å; V568-I591 VanDerWaalsContact O-CD1 3.25Å; V568-I591 WeakPolarHBondContact O-CD1 3.47Å; V568-F595 HydrophobicContact CG1-CE2 4.41Å; V568-F595 HydrophobicContact CG1-CZ 4.39Å; V568-F595 HydrophobicContact CG2-CZ 3.97Å
569	A	88.5	Confident	87.1	Confident	46 Å²	46	70.2 Å²	70.2	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-65.1	-44.4	176.4	0	0	0	0	0	112.2	E565 Y566 S572 E573	E565-A569 VanDerWaalsContact O-CB 3.3Å; E565-A569 WeakPolarHBondContact O-CB 3.18Å; E565-A569 PolarHBondContact O-N 3.42Å; Y566-A569 PolarHBondContact O-N 3.08Å; A569-S572 WeakPolarHBondContact O-CB 3.47Å; A569-S572 PolarHBondContact O-N 2.85Å; A569-E573 PolarHBondContact O-N 2.73Å
570	H	90.4	Very high	86.5	Confident	110 Å²	110	70.3 Å²	70.3	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-41.2	177.8	-68.3	179.2	0	0	0	111.8	Y566 E573 L574	Y566-H570 VanDerWaalsContact O-CB 3.23Å; Y566-H570 WeakPolarHBondContact O-CB 3.31Å; Y566-H570 PolarHBondContact O-CD2 3.32Å; Y566-H570 VanDerWaalsContact O-CD2 3.32Å; Y566-H570 PolarHBondContact O-N 2.79Å; H570-E573 PolarHBondContact O-N 3.22Å; H570-L574 VanDerWaalsContact O-CB 3.31Å; H570-L574 WeakPolarHBondContact O-CB 3.49Å; H570-L574 WeakPolarHBondContact O-CD1 3.42Å; H570-L574 WeakPolarHBondContact O-CG 3.34Å; H570-L574 PolarHBondContact O-N 2.83Å
571	A	87.8	Confident	85.9	Confident	40 Å²	40	72 Å²	72	33%	0.331	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.7	0	0	0	0	0	111.7	L567 E573 L574 I575 I591	L567-A571 VanDerWaalsContact O-CB 3.26Å; L567-A571 WeakPolarHBondContact O-CB 3.19Å; L567-A571 PolarHBondContact O-N 2.85Å; A571-E573 VanDerWaalsContact C-N 3.34Å; A571-E573 PolarHBondContact O-N 2.82Å; A571-L574 PolarHBondContact O-N 2.84Å; A571-I575 WeakPolarHBondContact O-CG1 3.49Å; A571-I575 PolarHBondContact O-N 2.97Å; A571-I575 VanDerWaalsContact O-N 3.09Å; A571-I591 HydrophobicContact CB-CD1 3.83Å
572	S	86	Confident	84.9	Confident	37 Å²	37	67.2 Å²	67.2	26%	0.259	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-42.8	176	-58.2	0	0	0	0	112.3	V568 A569 I591	V568-S572 WeakPolarHBondContact O-CB 3.47Å; V568-S572 PolarHBondContact O-N 3.11Å; V568-S572 PolarHBondContact O-OG 2.56Å; A569-S572 WeakPolarHBondContact O-CB 3.47Å; A569-S572 PolarHBondContact O-N 2.85Å; S572-I591 VanDerWaalsContact OG-CD1 3.29Å; S572-I591 WeakPolarHBondContact OG-CD1 3.3Å
573	E	88.1	Confident	83.9	Confident	91 Å²	91	72.2 Å²	72.2	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-74.5	-37.5	179.5	-161.1	59.4	-144.9	0	0	112.2	A569 H570 A571 I575 K576 V577	A569-E573 PolarHBondContact O-N 2.73Å; H570-E573 PolarHBondContact O-N 3.22Å; A571-E573 VanDerWaalsContact C-N 3.34Å; A571-E573 PolarHBondContact O-N 2.82Å; E573-I575 VanDerWaalsContact C-N 3.31Å; E573-I575 PolarHBondContact O-N 2.81Å; E573-K576 WeakPolarHBondContact O-CB 3.44Å; E573-K576 PolarHBondContact O-N 3.48Å; E573-K576 VanDerWaalsContact O-N 3.14Å; E573-K576 WeakPolarHBondContact OE2-CE 3.38Å; E573-K576 IonicContact OE2-NZ 2.7Å; E573-K576 PolarHBondContact OE2-NZ 3.22Å; E573-V577 WeakPolarHBondContact O-CG2 3.42Å; E573-V577 PolarHBondContact O-N 3.28Å
574	L	86.8	Confident	83.2	Confident	106 Å²	106	69.6 Å²	69.6	56%	0.555	36%	0.364	S	S	*	.	H	α-helix	trans	-60.3	-39.3	175.3	-76.7	167.7	0	0	0	111.9	H570 A571 K576 V577 I578	H570-L574 VanDerWaalsContact O-CB 3.31Å; H570-L574 WeakPolarHBondContact O-CB 3.49Å; H570-L574 WeakPolarHBondContact O-CD1 3.42Å; H570-L574 WeakPolarHBondContact O-CG 3.34Å; H570-L574 PolarHBondContact O-N 2.83Å; A571-L574 PolarHBondContact O-N 2.84Å; L574-K576 VanDerWaalsContact C-N 3.35Å; L574-K576 PolarHBondContact O-N 3.03Å; L574-V577 PolarHBondContact O-N 2.84Å; L574-I578 WeakPolarHBondContact O-CD1 3.5Å; L574-I578 WeakPolarHBondContact O-CG1 3.32Å; L574-I578 PolarHBondContact O-N 3.23Å
575	I	83.6	Confident	83	Confident	40 Å²	40	70.4 Å²	70.4	21%	0.205	37%	0.367	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.5	-68.4	166.1	0	0	0	110.8	A571 E573 I578 G579 I589 I591	A571-I575 WeakPolarHBondContact O-CG1 3.49Å; A571-I575 PolarHBondContact O-N 2.97Å; A571-I575 VanDerWaalsContact O-N 3.09Å; E573-I575 VanDerWaalsContact C-N 3.31Å; E573-I575 PolarHBondContact O-N 2.81Å; I575-I578 PolarHBondContact O-N 2.61Å; I575-G579 PolarHBondContact O-N 2.72Å; I575-G579 VanDerWaalsContact O-N 3.07Å; I575-I589 HydrophobicContact CD1-CG1 4.49Å; I575-I591 HydrophobicContact CD1-CB 4.46Å
576	K	80.9	Confident	82.6	Confident	116 Å²	116	68.2 Å²	68.2	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176	-58.5	175.7	-157.3	163.3	0	112	E573 L574 I578 G579 Q580	E573-K576 WeakPolarHBondContact O-CB 3.44Å; E573-K576 PolarHBondContact O-N 3.48Å; E573-K576 VanDerWaalsContact O-N 3.14Å; E573-K576 WeakPolarHBondContact OE2-CE 3.38Å; E573-K576 IonicContact OE2-NZ 2.7Å; E573-K576 PolarHBondContact OE2-NZ 3.22Å; L574-K576 VanDerWaalsContact C-N 3.35Å; L574-K576 PolarHBondContact O-N 3.03Å; K576-I578 VanDerWaalsContact C-N 3.33Å; K576-I578 PolarHBondContact O-N 3.07Å; K576-G579 PolarHBondContact O-N 2.8Å; K576-G579 VanDerWaalsContact O-N 3.17Å; K576-Q580 WeakPolarHBondContact O-CG 3.35Å; K576-Q580 PolarHBondContact O-N 3.26Å
577	V	83.8	Confident	82.4	Confident	55 Å²	55	64.4 Å²	64.4	33%	0.333	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-39.7	179.3	171.7	0	0	0	0	111.1	E573 L574 G579 Q580 H581	E573-V577 WeakPolarHBondContact O-CG2 3.42Å; E573-V577 PolarHBondContact O-N 3.28Å; L574-V577 PolarHBondContact O-N 2.84Å; V577-G579 PolarHBondContact O-N 2.83Å; V577-Q580 PolarHBondContact O-N 2.78Å; V577-H581 PolarHBondContact O-CD2 2.87Å; V577-H581 VanDerWaalsContact O-CD2 3.3Å; V577-H581 PolarHBondContact O-N 3.34Å; V577-H581 VanDerWaalsContact O-N 3.08Å
578	I	81.5	Confident	82.3	Confident	71 Å²	71	60.6 Å²	60.6	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-43.5	173.9	-67	161.7	0	0	0	110.7	L574 I575 K576 H581 S582 L583 D586	L574-I578 WeakPolarHBondContact O-CD1 3.5Å; L574-I578 WeakPolarHBondContact O-CG1 3.32Å; L574-I578 PolarHBondContact O-N 3.23Å; I575-I578 PolarHBondContact O-N 2.61Å; K576-I578 VanDerWaalsContact C-N 3.33Å; K576-I578 PolarHBondContact O-N 3.07Å; I578-H581 CarbonylContact O-C 3.55Å; I578-H581 WeakPolarHBondContact O-CA 3.26Å; I578-H581 PolarHBondContact O-N 2.84Å; I578-H581 VanDerWaalsContact O-N 3.13Å; I578-S582 PolarHBondContact O-N 3.45Å; I578-L583 HydrophobicContact CG2-CB 4.1Å; I578-L583 HydrophobicContact CG2-CD1 4.03Å; I578-L583 HydrophobicContact CG2-CG 4.16Å; I578-D586 HydrophobicContact CB-CB 4.49Å; I578-D586 HydrophobicContact CG2-CB 3.98Å
579	G	75.7	Confident	82.2	Confident	15 Å²	15	59.1 Å²	59.1	16%	0.155	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-38.7	175.7	0	0	0	0	0	114	I575 K576 V577 H581 S582 D586	I575-G579 PolarHBondContact O-N 2.72Å; I575-G579 VanDerWaalsContact O-N 3.07Å; K576-G579 PolarHBondContact O-N 2.8Å; K576-G579 VanDerWaalsContact O-N 3.17Å; V577-G579 PolarHBondContact O-N 2.83Å; G579-H581 VanDerWaalsContact C-N 3.27Å; G579-H581 PolarHBondContact O-N 3.36Å; G579-S582 WeakPolarHBondContact O-CA 3.15Å; G579-S582 PolarHBondContact O-N 3.13Å; G579-D586 VanDerWaalsContact CA-CG 3.41Å; G579-D586 VanDerWaalsContact CA-OD2 3.29Å; G579-D586 WeakPolarHBondContact CA-OD2 2.95Å
580	Q	75.5	Confident	81.8	Confident	131 Å²	131	58.6 Å²	58.6	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-60.2	-38.7	171.1	-69.9	176.8	6.8	0	0	111.6	K576 V577 S582	K576-Q580 WeakPolarHBondContact O-CG 3.35Å; K576-Q580 PolarHBondContact O-N 3.26Å; V577-Q580 PolarHBondContact O-N 2.78Å; Q580-S582 PolarHBondContact O-N 2.87Å; Q580-S582 PolarHBondContact O-OG 3.32Å
581	H	77.4	Confident	81.2	Confident	142 Å²	142	54.7 Å²	54.7	66%	0.657	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.3	172.2	-78.9	-70.9	0	0	0	114.7	V577 I578 G579	V577-H581 PolarHBondContact O-CD2 2.87Å; V577-H581 VanDerWaalsContact O-CD2 3.3Å; V577-H581 PolarHBondContact O-N 3.34Å; V577-H581 VanDerWaalsContact O-N 3.08Å; I578-H581 CarbonylContact O-C 3.55Å; I578-H581 WeakPolarHBondContact O-CA 3.26Å; I578-H581 PolarHBondContact O-N 2.84Å; I578-H581 VanDerWaalsContact O-N 3.13Å; G579-H581 VanDerWaalsContact C-N 3.27Å; G579-H581 PolarHBondContact O-N 3.36Å
582	S	66.3	Low	80.6	Confident	27 Å²	27	57.4 Å²	57.4	19%	0.189	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	43.7	168.8	-58	0	0	0	0	114.6	S101 I578 G579 Q580 G584	S101-S582 WeakPolarHBondContact CB-OG 3.44Å; S101-S582 WeakPolarHBondContact OG-CB 3.48Å; S101-S582 PolarHBondContact OG-OG 2.96Å; I578-S582 PolarHBondContact O-N 3.45Å; G579-S582 WeakPolarHBondContact O-CA 3.15Å; G579-S582 PolarHBondContact O-N 3.13Å; Q580-S582 PolarHBondContact O-N 2.87Å; Q580-S582 PolarHBondContact O-OG 3.32Å; S582-G584 VanDerWaalsContact C-N 3.32Å
583	L	71.2	Confident	79.9	Confident	107 Å²	107	57.8 Å²	57.8	56%	0.56	30%	0.296	S	S	*	.			trans	-77.2	-17.4	175.7	-58	-167.2	0	0	0	113.2	I578 E585	I578-L583 HydrophobicContact CG2-CB 4.1Å; I578-L583 HydrophobicContact CG2-CD1 4.03Å; I578-L583 HydrophobicContact CG2-CG 4.16Å; L583-E585 PolarHBondContact O-N 3.48Å; L583-E585 VanDerWaalsContact O-N 3.11Å
584	G	76.9	Confident	78.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	80.6	-19.9	170.5	0	0	0	0	0	114.9	G104 V179 S582 D586 A587 F588	G104-G584 WeakPolarHBondContact CA-O 3.44Å; V179-G584 WeakPolarHBondContact CG2-O 3.42Å; S582-G584 VanDerWaalsContact C-N 3.32Å; G584-D586 VanDerWaalsContact C-N 3.31Å; G584-D586 WeakPolarHBondContact CA-OD1 3.36Å; G584-D586 PolarHBondContact N-OD1 3.25Å; G584-A587 WeakPolarHBondContact O-CB 3.31Å; G584-F588 WeakPolarHBondContact O-CD2 3.16Å; G584-F588 WeakPolarHBondContact O-CE2 3.38Å
585	E	84.6	Confident	77.5	Confident	63 Å²	63	57.8 Å²	57.8	29%	0.294	30%	0.298	S	S	.	.	S	Bend	trans	-74.7	-24.2	172.1	-56.3	-143.1	113.2	0	0	111.9	V179 V241 K244 L583 A587 F588	V179-E585 HydrophobicContact CB-CG 4.33Å; V179-E585 HydrophobicContact CG1-CG 3.65Å; V179-E585 VanDerWaalsContact CG1-OE1 3.31Å; V179-E585 WeakPolarHBondContact CG1-OE1 3.42Å; V179-E585 HydrophobicContact CG2-CG 3.99Å; V241-E585 HydrophobicContact CG2-CB 4.09Å; V241-E585 HydrophobicContact CG2-CG 4.42Å; K244-E585 IonicContact NZ-OE1 2.89Å; K244-E585 PolarHBondContact NZ-OE1 3.31Å; K244-E585 IonicContact NZ-OE2 3.24Å; K244-E585 PolarHBondContact NZ-OE2 2.89Å; L583-E585 PolarHBondContact O-N 3.48Å; L583-E585 VanDerWaalsContact O-N 3.11Å; E585-A587 VanDerWaalsContact C-N 3.26Å; E585-A587 PolarHBondContact O-N 3.38Å; E585-F588 PolarHBondContact O-N 3.39Å
586	D	82.9	Confident	76	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.059	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.4	-31.9	172.5	50.8	-85.3	0	0	0	113.9	N48 I578 G579 G584 F588 I589	N48-D586 PolarHBondContact ND2-O 2.73Å; I578-D586 HydrophobicContact CB-CB 4.49Å; I578-D586 HydrophobicContact CG2-CB 3.98Å; G579-D586 VanDerWaalsContact CA-CG 3.41Å; G579-D586 VanDerWaalsContact CA-OD2 3.29Å; G579-D586 WeakPolarHBondContact CA-OD2 2.95Å; G584-D586 VanDerWaalsContact C-N 3.31Å; G584-D586 WeakPolarHBondContact CA-OD1 3.36Å; G584-D586 PolarHBondContact N-OD1 3.25Å; D586-F588 PolarHBondContact O-N 2.91Å; D586-I589 PolarHBondContact O-N 2.75Å
587	A	84.8	Confident	74.2	Confident	6 Å²	6	63.5 Å²	63.5	5%	0.05	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-59.6	-17.7	173.9	0	0	0	0	0	113.6	N48 S102 G584 E585	N48-A587 PolarHBondContact ND2-O 3.45Å; S102-A587 WeakPolarHBondContact O-CB 3.06Å; G584-A587 WeakPolarHBondContact O-CB 3.31Å; E585-A587 VanDerWaalsContact C-N 3.26Å; E585-A587 PolarHBondContact O-N 3.38Å
588	F	87.6	Confident	71.8	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.031	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-112.8	16.6	-174.8	-58.6	-77.4	0	0	0	113.6	L105 V179 M234 M237 R238 V241 G584 E585 D586	L105-F588 HydrophobicContact CB-CZ 4.13Å; V179-F588 HydrophobicContact CG2-CD2 4.24Å; V179-F588 HydrophobicContact CG2-CE2 3.81Å; M234-F588 HydrophobicContact CB-CE1 4.26Å; M234-F588 HydrophobicContact CG-CE1 4.37Å; M237-F588 HydrophobicContact CB-CD1 3.9Å; M237-F588 HydrophobicContact CB-CD2 4.42Å; M237-F588 HydrophobicContact CB-CE1 3.64Å; M237-F588 HydrophobicContact CB-CE2 4.19Å; M237-F588 HydrophobicContact CB-CG 4.29Å; M237-F588 HydrophobicContact CB-CZ 3.79Å; M237-F588 HydrophobicContact CE-CD2 4.45Å; M237-F588 HydrophobicContact CE-CE2 3.48Å; M237-F588 VanDerWaalsContact CE-CE2 3.48Å; M237-F588 HydrophobicContact CE-CZ 3.54Å; M237-F588 HydrophobicContact CG-CZ 4.41Å; M237-F588 HydrophobicContact SD-CE1 4.46Å; M237-F588 HydrophobicContact SD-CE2 4.37Å; M237-F588 HydrophobicContact SD-CZ 3.84Å; R238-F588 HydrophobicContact CB-CB 4.41Å; R238-F588 HydrophobicContact CB-CD1 4.35Å; R238-F588 HydrophobicContact CG-CB 4.33Å; R238-F588 VanDerWaalsContact CG-O 3.25Å; R238-F588 WeakPolarHBondContact CG-O 3.5Å; V241-F588 HydrophobicContact CB-CB 4.32Å; V241-F588 HydrophobicContact CG2-CB 4.1Å; G584-F588 WeakPolarHBondContact O-CD2 3.16Å; G584-F588 WeakPolarHBondContact O-CE2 3.38Å; E585-F588 PolarHBondContact O-N 3.39Å; D586-F588 PolarHBondContact O-N 2.91Å
589	I	85.8	Confident	71.3	Confident	20 Å²	20	71.2 Å²	71.2	10%	0.103	37%	0.374	C	S	.	.			trans	-144.7	131.4	171.6	-177.4	162.9	0	0	0	112.3	N48 L242 I245 I575 D586 D593 V594	N48-I589 PolarHBondContact ND2-O 2.98Å; L242-I589 HydrophobicContact CD2-CD1 4.36Å; I245-I589 HydrophobicContact CD1-CD1 3.4Å; I575-I589 HydrophobicContact CD1-CG1 4.49Å; D586-I589 PolarHBondContact O-N 2.75Å; I589-D593 WeakPolarHBondContact CA-OD2 3.46Å; I589-V594 HydrophobicContact CD1-CG2 4.06Å
590	T	79.8	Confident	71	Confident	35 Å²	35	74.2 Å²	74.2	22%	0.215	39%	0.385	C	S	.	.			trans	-108.5	165.7	156.1	70.4	0	0	0	0	109.2	N48 D592 D593	N48-T590 WeakPolarHBondContact OD1-CG2 3.48Å; T590-D592 PolarHBondContact O-N 3.36Å; T590-D592 PolarHBondContact OG1-N 2.98Å; T590-D593 PolarHBondContact N-OD2 2.78Å; T590-D593 PolarHBondContact O-N 2.76Å; T590-D593 PolarHBondContact OG1-N 2.73Å; T590-D593 PolarHBondContact OG1-OD2 2.82Å
591	I	77.9	Confident	70.8	Confident	28 Å²	28	71 Å²	71	14%	0.144	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-66.6	-25.5	172.8	-157.7	166.5	0	0	0	111.6	V568 A571 S572 I575 D593 V594 F595	V568-I591 HydrophobicContact CB-CD1 4.42Å; V568-I591 HydrophobicContact CG1-CD1 3.78Å; V568-I591 VanDerWaalsContact O-CD1 3.25Å; V568-I591 WeakPolarHBondContact O-CD1 3.47Å; A571-I591 HydrophobicContact CB-CD1 3.83Å; S572-I591 VanDerWaalsContact OG-CD1 3.29Å; S572-I591 WeakPolarHBondContact OG-CD1 3.3Å; I575-I591 HydrophobicContact CD1-CB 4.46Å; I591-D593 VanDerWaalsContact C-N 3.28Å; I591-D593 PolarHBondContact O-N 3.1Å; I591-V594 WeakPolarHBondContact O-CB 3.4Å; I591-V594 PolarHBondContact O-N 3.24Å; I591-V594 VanDerWaalsContact O-N 3.08Å; I591-F595 HydrophobicContact CD1-CE2 4.36Å; I591-F595 HydrophobicContact CG1-CE2 3.89Å; I591-F595 WeakPolarHBondContact O-CD2 3.17Å; I591-F595 PolarHBondContact O-N 2.77Å
592	D	75.4	Confident	70.4	Confident	97 Å²	97	66.8 Å²	66.8	52%	0.519	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-73.4	-12.8	175.6	-39	-67.2	0	0	0	113.7	T590 V594 F595	T590-D592 PolarHBondContact O-N 3.36Å; T590-D592 PolarHBondContact OG1-N 2.98Å; D592-V594 VanDerWaalsContact C-N 3.27Å; D592-F595 VanDerWaalsContact O-O 3.11Å
593	D	71.4	Confident	70.7	Confident	46 Å²	46	69.3 Å²	69.3	25%	0.246	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-74.1	-21.2	166.8	-68.9	-58.8	0	0	0	112	R238 L242 I589 T590 I591	R238-D593 IonicContact CZ-OD1 3.37Å; R238-D593 VanDerWaalsContact CZ-OD1 3.24Å; R238-D593 IonicContact CZ-OD2 2.75Å; R238-D593 VanDerWaalsContact CZ-OD2 3.23Å; R238-D593 IonicContact NE-OD1 2.74Å; R238-D593 PolarHBondContact NE-OD1 3.42Å; R238-D593 IonicContact NE-OD2 3.31Å; R238-D593 PolarHBondContact NE-OD2 3.24Å; R238-D593 IonicContact NH2-OD1 3.66Å; R238-D593 PolarHBondContact NH2-OD1 3.01Å; R238-D593 IonicContact NH2-OD2 3.69Å; R238-D593 PolarHBondContact NH2-OD2 3.2Å; L242-D593 HydrophobicContact CD2-CB 4.01Å; I589-D593 WeakPolarHBondContact CA-OD2 3.46Å; T590-D593 PolarHBondContact N-OD2 2.78Å; T590-D593 PolarHBondContact O-N 2.76Å; T590-D593 PolarHBondContact OG1-N 2.73Å; T590-D593 PolarHBondContact OG1-OD2 2.82Å; I591-D593 VanDerWaalsContact C-N 3.28Å; I591-D593 PolarHBondContact O-N 3.1Å
594	V	63.7	Low	70.6	Confident	91 Å²	91	66.8 Å²	66.8	55%	0.552	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.7	-177.2	-170	0	0	0	0	111.3	I589 I591 D592	I589-V594 HydrophobicContact CD1-CG2 4.06Å; I591-V594 WeakPolarHBondContact O-CB 3.4Å; I591-V594 PolarHBondContact O-N 3.24Å; I591-V594 VanDerWaalsContact O-N 3.08Å; D592-V594 VanDerWaalsContact C-N 3.27Å
595	F	61.6	Low	70.2	Confident	106 Å²	106	71.6 Å²	71.6	47%	0.465	38%	0.379	S	S	.	.	S	Bend	trans	-92.6	132.6	172.2	-62.8	-60.8	0	0	0	110.6	V568 I591 D592 Q597	V568-F595 HydrophobicContact CG1-CE2 4.41Å; V568-F595 HydrophobicContact CG1-CZ 4.39Å; V568-F595 HydrophobicContact CG2-CZ 3.97Å; I591-F595 HydrophobicContact CD1-CE2 4.36Å; I591-F595 HydrophobicContact CG1-CE2 3.89Å; I591-F595 WeakPolarHBondContact O-CD2 3.17Å; I591-F595 PolarHBondContact O-N 2.77Å; D592-F595 VanDerWaalsContact O-O 3.11Å; F595-Q597 PolarHBondContact O-N 3.23Å
596	P	50.3	Low	69.1	Low	99 Å²	99	72.2 Å²	72.2	64%	0.643	39%	0.385	S	S	*	.			trans	-66	127.6	176.8	27.2	-33.5	0	0	0	110.6	N598	P596-N598 PolarHBondContact O-N 3.01Å
597	Q	44.2	Very low	67.9	Low	177 Å²	177	77.3 Å²	77.3	83%	0.827	41%	0.412	S	S	*	.			trans	-74.1	92.7	170.5	-64.6	-179.6	10.1	0	0	108.9	F595	F595-Q597 PolarHBondContact O-N 3.23Å
598	N	32.5	Very low	66.4	Low	216 Å²	216	83.8 Å²	83.8	100%	1.155	45%	0.445	S	S	*	.			trans	-99.1	0	175.8	-68.5	-26	0	0	0	111	P596	P596-N598 PolarHBondContact O-N 3.01Å

Retrieved 598 of 598 residues in 247.2 ms (Link to these results)

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